NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473262 | 2k3d | 15750 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 12 HA ALA 12 -9.322 13.381 -11.385 2 H1 ALA 12 HN ALA 12 -6.784 13.620 -9.818 3 HB1 ALA 12 HB1 ALA 12 -7.638 12.734 -12.957 4 HB2 ALA 12 HB2 ALA 12 -8.319 11.234 -12.331 5 HB3 ALA 12 HB3 ALA 12 -6.759 11.808 -11.743 6 H PHE 13 HN PHE 13 -10.491 11.388 -10.903 7 HA PHE 13 HA PHE 13 -10.688 10.812 -8.125 8 HD1 PHE 13 HD2 PHE 13 -13.450 10.332 -7.524 9 HD2 PHE 13 HD1 PHE 13 -12.563 11.303 -11.614 10 HE1 PHE 13 HE2 PHE 13 -15.254 12.031 -7.512 11 HE2 PHE 13 HE1 PHE 13 -14.371 13.003 -11.602 12 HZ PHE 13 HZ PHE 13 -15.716 13.368 -9.550 13 HB2 PHE 13 HB2 PHE 13 -11.640 9.312 -10.578 14 HB3 PHE 13 HB1 PHE 13 -12.074 8.845 -8.935 15 H PHE 14 HN PHE 14 -9.118 9.008 -10.768 16 HA PHE 14 HA PHE 14 -8.284 6.765 -9.201 17 HD1 PHE 14 HD2 PHE 14 -8.058 4.510 -10.998 18 HD2 PHE 14 HD1 PHE 14 -9.302 8.214 -12.782 19 HE1 PHE 14 HE2 PHE 14 -9.927 3.337 -12.128 20 HE2 PHE 14 HE1 PHE 14 -11.172 7.041 -13.914 21 HZ PHE 14 HZ PHE 14 -11.484 4.603 -13.585 22 HB2 PHE 14 HB2 PHE 14 -7.133 8.013 -11.712 23 HB3 PHE 14 HB1 PHE 14 -6.579 6.480 -11.040 24 H ASN 15 HN ASN 15 -6.743 9.866 -9.954 25 HA ASN 15 HA ASN 15 -4.217 9.356 -8.730 26 HB2 ASN 15 HB2 ASN 15 -5.793 11.876 -9.285 27 HB3 ASN 15 HB1 ASN 15 -4.205 11.928 -8.518 28 HD21 ASN 15 HD21 ASN 15 -4.626 13.092 -11.090 29 HD22 ASN 15 HD22 ASN 15 -3.767 12.186 -12.242 30 H GLU 16 HN GLU 16 -7.257 10.674 -7.435 31 HA GLU 16 HA GLU 16 -6.274 11.336 -4.833 32 HB2 GLU 16 HB2 GLU 16 -9.036 10.579 -5.819 33 HB3 GLU 16 HB1 GLU 16 -8.713 11.134 -4.176 34 HG2 GLU 16 HG2 GLU 16 -7.824 13.246 -5.030 35 HG3 GLU 16 HG1 GLU 16 -8.036 12.692 -6.689 36 H GLN 17 HN GLN 17 -7.714 8.355 -6.138 37 HA GLN 17 HA GLN 17 -7.850 6.914 -3.679 38 HB2 GLN 17 HB2 GLN 17 -7.444 5.949 -6.526 39 HB3 GLN 17 HB1 GLN 17 -7.790 4.886 -5.162 40 HG2 GLN 17 HG2 GLN 17 -9.565 7.191 -6.012 41 HG3 GLN 17 HG1 GLN 17 -9.829 5.510 -6.478 42 HE21 GLN 17 HE21 GLN 17 -11.034 7.670 -4.369 43 HE22 GLN 17 HE22 GLN 17 -11.370 6.667 -3.040 44 H LYS 18 HN LYS 18 -5.262 7.233 -6.090 45 HA LYS 18 HA LYS 18 -3.455 5.371 -4.887 46 HB2 LYS 18 HB2 LYS 18 -2.969 7.811 -6.617 47 HB3 LYS 18 HB1 LYS 18 -1.710 6.659 -6.170 48 HG2 LYS 18 HG2 LYS 18 -2.989 4.835 -7.231 49 HG3 LYS 18 HG1 LYS 18 -4.259 5.978 -7.669 50 HD2 LYS 18 HD2 LYS 18 -2.617 7.272 -9.005 51 HD3 LYS 18 HD1 LYS 18 -1.377 6.083 -8.607 52 HE2 LYS 18 HE2 LYS 18 -3.968 5.473 -10.062 53 HE3 LYS 18 HE1 LYS 18 -2.391 5.647 -10.832 54 HZ1 LYS 18 HZ1 LYS 18 -3.487 3.398 -9.511 55 HZ2 LYS 18 HZ2 LYS 18 -2.044 3.866 -8.748 56 HZ3 LYS 18 HZ3 LYS 18 -2.053 3.514 -10.411 57 H GLU 19 HN GLU 19 -3.912 8.869 -4.475 58 HA GLU 19 HA GLU 19 -1.729 9.289 -2.673 59 HB2 GLU 19 HB2 GLU 19 -4.343 10.768 -3.066 60 HB3 GLU 19 HB1 GLU 19 -3.044 11.345 -2.022 61 HG2 GLU 19 HG2 GLU 19 -1.502 11.409 -3.920 62 HG3 GLU 19 HG1 GLU 19 -2.741 10.737 -4.978 63 H LYS 20 HN LYS 20 -5.171 8.550 -2.104 64 HA LYS 20 HA LYS 20 -5.058 8.683 0.750 65 HB2 LYS 20 HB2 LYS 20 -6.864 7.143 -1.130 66 HB3 LYS 20 HB1 LYS 20 -7.113 7.209 0.614 67 HG2 LYS 20 HG2 LYS 20 -7.294 9.663 0.508 68 HG3 LYS 20 HG1 LYS 20 -7.017 9.614 -1.233 69 HD2 LYS 20 HD2 LYS 20 -9.052 8.251 -1.528 70 HD3 LYS 20 HD1 LYS 20 -9.332 8.289 0.213 71 HE2 LYS 20 HE2 LYS 20 -9.524 10.746 0.135 72 HE3 LYS 20 HE1 LYS 20 -9.238 10.716 -1.604 73 HZ1 LYS 20 HZ1 LYS 20 -11.217 9.267 -1.802 74 HZ2 LYS 20 HZ2 LYS 20 -11.574 10.823 -1.222 75 HZ3 LYS 20 HZ3 LYS 20 -11.525 9.506 -0.151 76 H VAL 21 HN VAL 21 -4.661 5.952 -1.507 77 HA VAL 21 HA VAL 21 -4.327 3.940 0.496 78 HB VAL 21 HB VAL 21 -3.366 4.117 -2.371 79 HG11 VAL 21 HG11 VAL 21 -3.216 1.872 -0.355 80 HG12 VAL 21 HG12 VAL 21 -1.931 2.509 -1.380 81 HG13 VAL 21 HG13 VAL 21 -3.236 1.559 -2.090 82 HG21 VAL 21 HG21 VAL 21 -5.602 2.468 -1.169 83 HG22 VAL 21 HG22 VAL 21 -5.293 2.791 -2.874 84 HG23 VAL 21 HG23 VAL 21 -5.860 4.087 -1.822 85 H THR 22 HN THR 22 -1.931 5.908 -1.284 86 HA THR 22 HA THR 22 0.384 4.715 -0.122 87 HB THR 22 HB THR 22 -0.027 7.555 -1.104 88 HG1 THR 22 HG1 THR 22 0.155 6.730 -3.010 89 HG21 THR 22 HG21 THR 22 1.982 7.570 0.136 90 HG22 THR 22 HG22 THR 22 2.502 7.300 -1.527 91 HG23 THR 22 HG23 THR 22 2.427 5.949 -0.397 92 H LEU 23 HN LEU 23 -1.458 7.621 0.815 93 HA LEU 23 HA LEU 23 0.131 8.261 3.094 94 HG LEU 23 HG LEU 23 -1.067 9.583 4.809 95 HB2 LEU 23 HB2 LEU 23 -1.689 9.660 1.862 96 HB3 LEU 23 HB1 LEU 23 -2.823 8.839 2.930 97 HD11 LEU 23 HD11 LEU 23 -0.761 11.806 2.780 98 HD12 LEU 23 HD12 LEU 23 0.459 10.557 3.024 99 HD13 LEU 23 HD13 LEU 23 0.044 11.652 4.342 100 HD21 LEU 23 HD21 LEU 23 -3.043 11.497 3.526 101 HD22 LEU 23 HD22 LEU 23 -2.411 11.623 5.168 102 HD23 LEU 23 HD23 LEU 23 -3.439 10.262 4.722 103 H TYR 24 HN TYR 24 -2.797 6.298 2.716 104 HA TYR 24 HA TYR 24 -3.215 5.738 5.484 105 HD1 TYR 24 HD2 TYR 24 -5.781 4.779 6.170 106 HD2 TYR 24 HD1 TYR 24 -3.671 1.922 3.756 107 HE1 TYR 24 HE2 TYR 24 -6.545 2.953 7.663 108 HE2 TYR 24 HE1 TYR 24 -4.440 0.096 5.244 109 HH TYR 24 HH TYR 24 -6.260 -0.338 6.831 110 HB2 TYR 24 HB2 TYR 24 -4.971 5.323 3.863 111 HB3 TYR 24 HB1 TYR 24 -3.955 4.171 2.992 112 H LEU 25 HN LEU 25 -1.328 4.057 2.981 113 HA LEU 25 HA LEU 25 -0.665 1.755 4.508 114 HG LEU 25 HG LEU 25 -1.468 1.802 1.978 115 HB2 LEU 25 HB2 LEU 25 0.678 3.206 2.228 116 HB3 LEU 25 HB1 LEU 25 1.406 1.768 2.930 117 HD11 LEU 25 HD11 LEU 25 -0.057 2.432 0.077 118 HD12 LEU 25 HD12 LEU 25 -0.625 0.776 -0.127 119 HD13 LEU 25 HD13 LEU 25 1.028 1.082 0.406 120 HD21 LEU 25 HD21 LEU 25 0.555 -0.334 2.695 121 HD22 LEU 25 HD22 LEU 25 -0.821 -0.701 1.666 122 HD23 LEU 25 HD23 LEU 25 -1.084 -0.128 3.303 123 H LYS 26 HN LYS 26 1.107 4.840 4.145 124 HA LYS 26 HA LYS 26 3.263 4.036 5.872 125 HB2 LYS 26 HB2 LYS 26 3.780 6.489 5.920 126 HB3 LYS 26 HB1 LYS 26 3.582 5.836 4.294 127 HG2 LYS 26 HG2 LYS 26 1.308 6.658 4.201 128 HG3 LYS 26 HG1 LYS 26 1.391 7.222 5.859 129 HD2 LYS 26 HD2 LYS 26 1.768 9.156 4.504 130 HD3 LYS 26 HD1 LYS 26 3.345 8.689 5.137 131 HE2 LYS 26 HE2 LYS 26 4.021 7.751 3.061 132 HE3 LYS 26 HE1 LYS 26 2.371 7.722 2.440 133 HZ1 LYS 26 HZ1 LYS 26 4.124 10.065 2.875 134 HZ2 LYS 26 HZ2 LYS 26 2.446 10.224 2.678 135 HZ3 LYS 26 HZ3 LYS 26 3.390 9.554 1.434 136 H HIS 27 HN HIS 27 0.120 5.466 6.463 137 HA HIS 27 HA HIS 27 0.674 6.393 9.131 138 HD1 HIS 27 HD1 HIS 27 -0.125 8.277 9.922 139 HD2 HIS 27 HD2 HIS 27 -2.222 8.286 6.325 140 HE1 HIS 27 HE1 HIS 27 -0.183 10.682 9.138 141 HB2 HIS 27 HB2 HIS 27 -1.791 5.835 7.502 142 HB3 HIS 27 HB1 HIS 27 -1.971 6.081 9.240 143 H ASN 28 HN ASN 28 -0.570 3.324 7.844 144 HA ASN 28 HA ASN 28 -0.696 2.213 10.600 145 HB2 ASN 28 HB2 ASN 28 -1.488 1.096 7.899 146 HB3 ASN 28 HB1 ASN 28 -1.600 0.195 9.411 147 HD21 ASN 28 HD21 ASN 28 -3.372 2.199 7.355 148 HD22 ASN 28 HD22 ASN 28 -4.555 2.720 8.455 149 H ILE 29 HN ILE 29 1.564 2.654 8.212 150 HA ILE 29 HA ILE 29 3.224 0.428 9.266 151 HB ILE 29 HB ILE 29 3.170 1.137 6.348 152 HG12 ILE 29 HG12 ILE 29 1.808 -1.125 7.840 153 HG13 ILE 29 HG11 ILE 29 0.991 0.198 7.010 154 HG21 ILE 29 HG21 ILE 29 4.524 -0.821 6.100 155 HG22 ILE 29 HG22 ILE 29 4.213 -1.319 7.764 156 HG23 ILE 29 HG23 ILE 29 5.222 0.091 7.440 157 HD11 ILE 29 HD11 ILE 29 0.928 -1.580 5.455 158 HD12 ILE 29 HD12 ILE 29 2.585 -2.065 5.813 159 HD13 ILE 29 HD13 ILE 29 2.276 -0.584 4.905 160 HA PRO 30 HA PRO 30 5.499 4.448 9.403 161 HB2 PRO 30 HB2 PRO 30 7.089 3.831 11.551 162 HB3 PRO 30 HB1 PRO 30 5.429 4.435 11.715 163 HG2 PRO 30 HG2 PRO 30 6.451 1.638 11.904 164 HG3 PRO 30 HG1 PRO 30 5.221 2.457 12.887 165 HD2 PRO 30 HD2 PRO 30 4.609 0.725 10.873 166 HD3 PRO 30 HD1 PRO 30 3.533 2.063 11.339 167 H ASP 31 HN ASP 31 6.493 1.193 9.035 168 HA ASP 31 HA ASP 31 9.295 1.863 8.371 169 HB2 ASP 31 HB2 ASP 31 7.751 -0.750 8.328 170 HB3 ASP 31 HB1 ASP 31 9.473 -0.595 7.976 171 H PHE 32 HN PHE 32 6.470 2.296 6.848 172 HA PHE 32 HA PHE 32 6.699 1.049 4.326 173 HD1 PHE 32 HD2 PHE 32 4.888 1.088 2.522 174 HD2 PHE 32 HD1 PHE 32 5.633 5.236 3.350 175 HE1 PHE 32 HE2 PHE 32 4.585 1.622 0.123 176 HE2 PHE 32 HE1 PHE 32 5.330 5.771 0.947 177 HZ PHE 32 HZ PHE 32 4.808 3.963 -0.668 178 HB2 PHE 32 HB2 PHE 32 4.658 2.181 4.894 179 HB3 PHE 32 HB1 PHE 32 5.498 3.711 5.132 180 H ASN 33 HN ASN 33 7.949 1.425 2.577 181 HA ASN 33 HA ASN 33 9.888 3.710 2.680 182 HB2 ASN 33 HB2 ASN 33 10.843 1.398 2.688 183 HB3 ASN 33 HB1 ASN 33 10.066 1.109 1.129 184 HD21 ASN 33 HD21 ASN 33 12.949 1.088 1.513 185 HD22 ASN 33 HD22 ASN 33 13.591 2.371 0.604 186 H THR 34 HN THR 34 8.185 1.679 0.252 187 HA THR 34 HA THR 34 7.283 4.114 -1.136 188 HB THR 34 HB THR 34 9.499 3.830 -2.109 189 HG1 THR 34 HG1 THR 34 7.558 2.746 -3.865 190 HG21 THR 34 HG21 THR 34 10.161 1.745 -3.197 191 HG22 THR 34 HG22 THR 34 8.613 1.010 -2.777 192 HG23 THR 34 HG23 THR 34 9.763 1.433 -1.507 193 H VAL 35 HN VAL 35 5.761 3.596 -2.892 194 HA VAL 35 HA VAL 35 4.551 0.862 -2.645 195 HB VAL 35 HB VAL 35 3.152 2.519 -1.476 196 HG11 VAL 35 HG11 VAL 35 3.993 4.463 -2.892 197 HG12 VAL 35 HG12 VAL 35 2.259 4.449 -2.571 198 HG13 VAL 35 HG13 VAL 35 2.870 3.923 -4.141 199 HG21 VAL 35 HG21 VAL 35 1.903 1.825 -4.146 200 HG22 VAL 35 HG22 VAL 35 1.085 2.017 -2.595 201 HG23 VAL 35 HG23 VAL 35 2.156 0.641 -2.860 202 H THR 36 HN THR 36 4.149 -0.141 -4.563 203 HA THR 36 HA THR 36 4.429 1.471 -7.082 204 HB THR 36 HB THR 36 5.352 -1.368 -6.550 205 HG1 THR 36 HG1 THR 36 7.286 -0.517 -6.355 206 HG21 THR 36 HG21 THR 36 5.324 0.378 -9.017 207 HG22 THR 36 HG22 THR 36 4.642 -1.238 -8.823 208 HG23 THR 36 HG23 THR 36 6.391 -1.018 -8.857 209 H PHE 37 HN PHE 37 2.671 1.393 -8.334 210 HA PHE 37 HA PHE 37 0.578 -0.641 -7.770 211 HD1 PHE 37 HD1 PHE 37 -1.484 0.437 -6.657 212 HD2 PHE 37 HD2 PHE 37 1.110 3.596 -7.980 213 HE1 PHE 37 HE1 PHE 37 -1.868 1.645 -4.527 214 HE2 PHE 37 HE2 PHE 37 0.725 4.804 -5.848 215 HZ PHE 37 HZ PHE 37 -0.764 3.828 -4.122 216 HB2 PHE 37 HB2 PHE 37 0.508 1.867 -9.478 217 HB3 PHE 37 HB1 PHE 37 -0.870 0.822 -9.124 218 H THR 38 HN THR 38 -0.153 -2.053 -9.374 219 HA THR 38 HA THR 38 0.814 -1.850 -12.108 220 HB THR 38 HB THR 38 2.836 -2.761 -11.198 221 HG1 THR 38 HG1 THR 38 1.447 -5.044 -12.082 222 HG21 THR 38 HG21 THR 38 1.161 -4.909 -9.877 223 HG22 THR 38 HG22 THR 38 1.830 -3.512 -9.035 224 HG23 THR 38 HG23 THR 38 2.908 -4.707 -9.752 225 H ASN 39 HN ASN 39 -1.694 -1.809 -11.618 226 HA ASN 39 HA ASN 39 -2.753 -4.332 -12.624 227 HB2 ASN 39 HB2 ASN 39 -2.785 -4.894 -10.257 228 HB3 ASN 39 HB1 ASN 39 -3.532 -3.345 -9.857 229 HD21 ASN 39 HD21 ASN 39 -4.161 -6.571 -11.126 230 HD22 ASN 39 HD22 ASN 39 -5.847 -6.406 -11.230 231 H GLU 40 HN GLU 40 -4.475 -1.936 -10.676 232 HA GLU 40 HA GLU 40 -6.181 -0.447 -11.244 233 HB2 GLU 40 HB2 GLU 40 -4.100 0.510 -12.491 234 HB3 GLU 40 HB1 GLU 40 -4.867 -0.124 -13.946 235 HG2 GLU 40 HG2 GLU 40 -6.220 1.756 -11.982 236 HG3 GLU 40 HG1 GLU 40 -5.466 2.265 -13.493 237 H GLU 41 HN GLU 41 -7.537 -2.428 -11.319 238 HA GLU 41 HA GLU 41 -8.553 -2.975 -14.091 239 HB2 GLU 41 HB2 GLU 41 -7.415 -4.909 -12.915 240 HB3 GLU 41 HB1 GLU 41 -8.697 -4.840 -11.707 241 HG2 GLU 41 HG2 GLU 41 -9.332 -6.495 -13.343 242 HG3 GLU 41 HG1 GLU 41 -10.366 -5.091 -13.588 243 H PHE 42 HN PHE 42 -10.819 -3.133 -14.327 244 HA PHE 42 HA PHE 42 -12.338 -1.613 -12.287 245 HD1 PHE 42 HD1 PHE 42 -13.885 0.531 -13.211 246 HD2 PHE 42 HD2 PHE 42 -11.122 -1.141 -16.043 247 HE1 PHE 42 HE1 PHE 42 -13.019 2.799 -13.703 248 HE2 PHE 42 HE2 PHE 42 -10.255 1.130 -16.537 249 HZ PHE 42 HZ PHE 42 -11.204 3.100 -15.366 250 HB2 PHE 42 HB2 PHE 42 -12.901 -2.483 -15.130 251 HB3 PHE 42 HB1 PHE 42 -14.149 -1.776 -14.102 252 H ASN 43 HN ASN 43 -13.443 -2.700 -10.768 253 HA ASN 43 HA ASN 43 -14.183 -5.535 -11.278 254 HB2 ASN 43 HB2 ASN 43 -13.627 -3.915 -8.809 255 HB3 ASN 43 HB1 ASN 43 -14.664 -5.331 -8.671 256 HD21 ASN 43 HD21 ASN 43 -12.933 -6.394 -7.381 257 HD22 ASN 43 HD22 ASN 43 -11.575 -7.048 -8.162 258 HA PRO 44 HA PRO 44 -18.559 -4.780 -11.623 259 HB2 PRO 44 HB2 PRO 44 -18.873 -6.520 -9.187 260 HB3 PRO 44 HB1 PRO 44 -19.707 -6.615 -10.752 261 HG2 PRO 44 HG2 PRO 44 -17.737 -8.304 -10.104 262 HG3 PRO 44 HG1 PRO 44 -17.966 -7.729 -11.765 263 HD2 PRO 44 HD2 PRO 44 -15.837 -7.010 -9.811 264 HD3 PRO 44 HD1 PRO 44 -15.818 -6.962 -11.589 265 H ILE 45 HN ILE 45 -17.238 -4.671 -8.314 266 HA ILE 45 HA ILE 45 -19.350 -3.049 -7.211 267 HB ILE 45 HB ILE 45 -17.713 -4.433 -5.880 268 HG12 ILE 45 HG12 ILE 45 -17.673 -1.501 -5.112 269 HG13 ILE 45 HG11 ILE 45 -19.098 -2.527 -4.932 270 HG21 ILE 45 HG21 ILE 45 -15.484 -3.644 -5.512 271 HG22 ILE 45 HG22 ILE 45 -15.815 -2.122 -6.340 272 HG23 ILE 45 HG23 ILE 45 -15.727 -3.624 -7.260 273 HD11 ILE 45 HD11 ILE 45 -16.390 -3.108 -3.694 274 HD12 ILE 45 HD12 ILE 45 -17.870 -4.038 -3.456 275 HD13 ILE 45 HD13 ILE 45 -17.755 -2.392 -2.834 276 H GLY 46 HN GLY 46 -16.242 -2.346 -8.735 277 HA2 GLY 46 HA2 GLY 46 -16.949 0.134 -9.810 278 HA3 GLY 46 HA1 GLY 46 -16.293 0.482 -8.213 279 H ILE 47 HN ILE 47 -14.089 0.325 -7.873 280 HA ILE 47 HA ILE 47 -12.416 -0.519 -10.219 281 HB ILE 47 HB ILE 47 -10.822 1.246 -9.533 282 HG12 ILE 47 HG12 ILE 47 -13.031 2.079 -7.623 283 HG13 ILE 47 HG11 ILE 47 -11.511 1.335 -7.133 284 HG21 ILE 47 HG21 ILE 47 -13.599 2.381 -9.919 285 HG22 ILE 47 HG22 ILE 47 -12.685 1.610 -11.214 286 HG23 ILE 47 HG23 ILE 47 -12.071 3.078 -10.453 287 HD11 ILE 47 HD11 ILE 47 -11.812 3.974 -8.587 288 HD12 ILE 47 HD12 ILE 47 -10.273 3.211 -8.192 289 HD13 ILE 47 HD13 ILE 47 -11.342 3.761 -6.902 290 H SER 48 HN SER 48 -10.299 -1.335 -9.672 291 HA SER 48 HA SER 48 -9.918 -2.192 -6.847 292 HG SER 48 HG SER 48 -8.866 -3.869 -9.795 293 HB2 SER 48 HB2 SER 48 -9.333 -4.475 -7.646 294 HB3 SER 48 HB1 SER 48 -11.020 -4.077 -7.952 295 H ILE 49 HN ILE 49 -7.898 -1.654 -6.265 296 HA ILE 49 HA ILE 49 -5.783 -1.438 -8.386 297 HB ILE 49 HB ILE 49 -6.142 0.161 -5.836 298 HG12 ILE 49 HG12 ILE 49 -6.111 1.064 -8.730 299 HG13 ILE 49 HG11 ILE 49 -7.594 0.727 -7.835 300 HG21 ILE 49 HG21 ILE 49 -4.140 1.422 -6.823 301 HG22 ILE 49 HG22 ILE 49 -3.913 0.028 -7.878 302 HG23 ILE 49 HG23 ILE 49 -3.794 -0.161 -6.129 303 HD11 ILE 49 HD11 ILE 49 -7.044 3.135 -7.774 304 HD12 ILE 49 HD12 ILE 49 -5.486 2.757 -7.039 305 HD13 ILE 49 HD13 ILE 49 -6.980 2.426 -6.161 306 H ASP 50 HN ASP 50 -3.982 -2.638 -8.075 307 HA ASP 50 HA ASP 50 -3.498 -3.828 -5.370 308 HB2 ASP 50 HB2 ASP 50 -4.553 -5.446 -7.032 309 HB3 ASP 50 HB1 ASP 50 -3.074 -5.296 -7.980 310 H GLY 51 HN GLY 51 -1.315 -4.079 -4.829 311 HA2 GLY 51 HA2 GLY 51 0.838 -3.702 -6.694 312 HA3 GLY 51 HA1 GLY 51 0.533 -2.209 -5.804 313 H TYR 52 HN TYR 52 2.850 -2.813 -5.087 314 HA TYR 52 HA TYR 52 2.635 -4.276 -2.505 315 HD1 TYR 52 HD2 TYR 52 6.396 -3.548 -4.007 316 HD2 TYR 52 HD1 TYR 52 3.565 -5.812 -6.313 317 HE1 TYR 52 HE2 TYR 52 7.604 -2.945 -6.091 318 HE2 TYR 52 HE1 TYR 52 4.777 -5.212 -8.392 319 HH TYR 52 HH TYR 52 7.426 -4.481 -8.827 320 HB2 TYR 52 HB2 TYR 52 4.879 -5.330 -2.985 321 HB3 TYR 52 HB1 TYR 52 3.547 -5.966 -3.948 322 H ILE 53 HN ILE 53 4.545 -3.872 -1.105 323 HA ILE 53 HA ILE 53 5.662 -1.123 -1.608 324 HB ILE 53 HB ILE 53 5.561 -0.764 0.819 325 HG12 ILE 53 HG12 ILE 53 4.067 -3.408 0.934 326 HG13 ILE 53 HG11 ILE 53 5.742 -3.216 1.439 327 HG21 ILE 53 HG21 ILE 53 3.596 -0.306 -0.794 328 HG22 ILE 53 HG22 ILE 53 3.233 -0.340 0.932 329 HG23 ILE 53 HG23 ILE 53 2.843 -1.732 -0.077 330 HD11 ILE 53 HD11 ILE 53 4.542 -2.976 3.446 331 HD12 ILE 53 HD12 ILE 53 3.271 -2.025 2.676 332 HD13 ILE 53 HD13 ILE 53 4.856 -1.312 2.961 333 H ASN 54 HN ASN 54 7.692 -0.680 -0.476 334 HA ASN 54 HA ASN 54 9.936 -1.147 -0.066 335 HB2 ASN 54 HB2 ASN 54 8.657 -3.615 1.153 336 HB3 ASN 54 HB1 ASN 54 10.369 -3.223 1.306 337 HD21 ASN 54 HD21 ASN 54 7.381 -2.795 2.827 338 HD22 ASN 54 HD22 ASN 54 7.770 -1.442 3.775 339 H ASN 55 HN ASN 55 8.818 -1.897 -2.645 340 HA ASN 55 HA ASN 55 9.343 -3.162 -4.547 341 HB2 ASN 55 HB2 ASN 55 11.985 -3.039 -3.083 342 HB3 ASN 55 HB1 ASN 55 11.820 -3.709 -4.706 343 HD21 ASN 55 HD21 ASN 55 13.368 -1.319 -4.133 344 HD22 ASN 55 HD22 ASN 55 12.610 -0.019 -4.919 345 H ASP 56 HN ASP 56 8.384 -4.658 -2.122 346 HA ASP 56 HA ASP 56 9.671 -7.313 -2.639 347 HB2 ASP 56 HB2 ASP 56 9.622 -6.386 -0.276 348 HB3 ASP 56 HB1 ASP 56 7.868 -6.567 -0.325 349 H LYS 57 HN LYS 57 8.552 -8.324 -4.208 350 HA LYS 57 HA LYS 57 5.860 -7.870 -4.957 351 HB2 LYS 57 HB2 LYS 57 7.650 -10.289 -5.290 352 HB3 LYS 57 HB1 LYS 57 6.069 -10.141 -6.059 353 HG2 LYS 57 HG2 LYS 57 6.805 -8.073 -7.188 354 HG3 LYS 57 HG1 LYS 57 8.382 -8.207 -6.409 355 HD2 LYS 57 HD2 LYS 57 8.744 -10.388 -7.522 356 HD3 LYS 57 HD1 LYS 57 7.180 -10.230 -8.323 357 HE2 LYS 57 HE2 LYS 57 9.428 -8.217 -8.597 358 HE3 LYS 57 HE1 LYS 57 9.116 -9.510 -9.756 359 HZ1 LYS 57 HZ1 LYS 57 7.139 -8.570 -10.410 360 HZ2 LYS 57 HZ2 LYS 57 8.081 -7.187 -10.125 361 HZ3 LYS 57 HZ3 LYS 57 6.941 -7.693 -8.972 362 H ASN 58 HN ASN 58 7.246 -10.002 -2.525 363 HA ASN 58 HA ASN 58 4.946 -11.620 -2.041 364 HB2 ASN 58 HB2 ASN 58 7.198 -10.730 -0.217 365 HB3 ASN 58 HB1 ASN 58 5.984 -11.920 0.239 366 HD21 ASN 58 HD21 ASN 58 6.048 -12.762 -2.805 367 HD22 ASN 58 HD22 ASN 58 7.398 -13.784 -2.874 368 H LEU 59 HN LEU 59 5.952 -8.476 -0.726 369 HA LEU 59 HA LEU 59 3.621 -8.330 1.044 370 HG LEU 59 HG LEU 59 6.731 -8.112 1.259 371 HB2 LEU 59 HB2 LEU 59 5.595 -6.160 0.266 372 HB3 LEU 59 HB1 LEU 59 4.474 -6.119 1.628 373 HD11 LEU 59 HD11 LEU 59 7.305 -5.688 1.863 374 HD12 LEU 59 HD12 LEU 59 7.888 -6.932 2.971 375 HD13 LEU 59 HD13 LEU 59 6.462 -5.980 3.385 376 HD21 LEU 59 HD21 LEU 59 4.518 -7.833 3.291 377 HD22 LEU 59 HD22 LEU 59 6.069 -8.517 3.778 378 HD23 LEU 59 HD23 LEU 59 5.130 -9.290 2.507 379 H SER 60 HN SER 60 2.010 -8.654 -0.652 380 HA SER 60 HA SER 60 1.606 -6.313 -2.458 381 HG SER 60 HG SER 60 2.032 -7.782 -4.416 382 HB2 SER 60 HB2 SER 60 0.442 -9.101 -2.496 383 HB3 SER 60 HB1 SER 60 -0.025 -7.814 -3.604 384 H PHE 61 HN PHE 61 -0.460 -5.329 -2.591 385 HA PHE 61 HA PHE 61 -2.384 -5.930 -0.406 386 HD1 PHE 61 HD1 PHE 61 0.890 -3.455 -1.134 387 HD2 PHE 61 HD2 PHE 61 -3.129 -2.036 -1.677 388 HE1 PHE 61 HE1 PHE 61 1.717 -1.710 -2.690 389 HE2 PHE 61 HE2 PHE 61 -2.302 -0.292 -3.235 390 HZ PHE 61 HZ PHE 61 0.121 -0.128 -3.739 391 HB2 PHE 61 HB2 PHE 61 -2.567 -3.553 0.146 392 HB3 PHE 61 HB1 PHE 61 -0.917 -4.112 0.397 393 H THR 62 HN THR 62 -4.537 -5.284 -0.878 394 HA THR 62 HA THR 62 -5.025 -4.284 -3.654 395 HB THR 62 HB THR 62 -6.433 -6.612 -2.320 396 HG1 THR 62 HG1 THR 62 -4.963 -6.614 -4.723 397 HG21 THR 62 HG21 THR 62 -7.531 -6.781 -4.588 398 HG22 THR 62 HG22 THR 62 -6.844 -5.200 -4.965 399 HG23 THR 62 HG23 THR 62 -8.010 -5.366 -3.651 400 H ALA 63 HN ALA 63 -6.622 -2.782 -3.793 401 HA ALA 63 HA ALA 63 -8.610 -2.524 -1.622 402 HB1 ALA 63 HB1 ALA 63 -6.542 -1.131 -1.031 403 HB2 ALA 63 HB2 ALA 63 -8.075 -0.264 -1.082 404 HB3 ALA 63 HB3 ALA 63 -6.941 -0.131 -2.427 405 H GLY 64 HN GLY 64 -10.404 -1.173 -2.254 406 HA2 GLY 64 HA2 GLY 64 -10.566 -0.683 -5.214 407 HA3 GLY 64 HA1 GLY 64 -11.915 -1.293 -4.264 408 H LYS 65 HN LYS 65 -13.394 0.294 -4.193 409 HA LYS 65 HA LYS 65 -12.879 3.061 -4.463 410 HB2 LYS 65 HB2 LYS 65 -15.202 1.563 -3.233 411 HB3 LYS 65 HB1 LYS 65 -15.193 3.313 -3.456 412 HG2 LYS 65 HG2 LYS 65 -14.861 3.035 -5.868 413 HG3 LYS 65 HG1 LYS 65 -14.764 1.288 -5.672 414 HD2 LYS 65 HD2 LYS 65 -17.001 1.698 -6.369 415 HD3 LYS 65 HD1 LYS 65 -17.106 1.416 -4.634 416 HE2 LYS 65 HE2 LYS 65 -17.349 3.746 -4.174 417 HE3 LYS 65 HE1 LYS 65 -16.854 4.199 -5.804 418 HZ1 LYS 65 HZ1 LYS 65 -18.844 3.192 -6.676 419 HZ2 LYS 65 HZ2 LYS 65 -19.261 4.328 -5.485 420 HZ3 LYS 65 HZ3 LYS 65 -19.307 2.668 -5.131 421 H ASP 66 HN ASP 66 -12.137 4.545 -3.091 422 HA ASP 66 HA ASP 66 -11.157 5.431 -1.158 423 HB2 ASP 66 HB2 ASP 66 -13.679 5.712 -0.854 424 HB3 ASP 66 HB1 ASP 66 -13.607 4.301 0.199 425 H VAL 67 HN VAL 67 -11.006 4.765 1.434 426 HA VAL 67 HA VAL 67 -9.548 2.182 1.360 427 HB VAL 67 HB VAL 67 -9.607 4.070 3.717 428 HG11 VAL 67 HG11 VAL 67 -7.505 2.243 2.509 429 HG12 VAL 67 HG12 VAL 67 -8.445 1.921 3.965 430 HG13 VAL 67 HG13 VAL 67 -7.279 3.240 3.943 431 HG21 VAL 67 HG21 VAL 67 -7.956 4.374 1.185 432 HG22 VAL 67 HG22 VAL 67 -7.695 5.275 2.677 433 HG23 VAL 67 HG23 VAL 67 -9.187 5.496 1.764 434 H LYS 68 HN LYS 68 -12.587 2.581 1.560 435 HA LYS 68 HA LYS 68 -13.430 1.813 4.184 436 HB2 LYS 68 HB2 LYS 68 -14.670 1.424 1.453 437 HB3 LYS 68 HB1 LYS 68 -15.475 0.917 2.938 438 HG2 LYS 68 HG2 LYS 68 -15.253 3.260 3.796 439 HG3 LYS 68 HG1 LYS 68 -14.601 3.733 2.232 440 HD2 LYS 68 HD2 LYS 68 -17.304 2.409 2.584 441 HD3 LYS 68 HD1 LYS 68 -17.081 4.155 2.499 442 HE2 LYS 68 HE2 LYS 68 -15.858 3.702 0.268 443 HE3 LYS 68 HE1 LYS 68 -16.580 2.097 0.347 444 HZ1 LYS 68 HZ1 LYS 68 -18.762 3.185 0.587 445 HZ2 LYS 68 HZ2 LYS 68 -18.007 3.530 -0.895 446 HZ3 LYS 68 HZ3 LYS 68 -18.019 4.690 0.347 447 H ILE 69 HN ILE 69 -12.532 -0.076 1.308 448 HA ILE 69 HA ILE 69 -12.446 -2.534 3.035 449 HB ILE 69 HB ILE 69 -12.986 -2.293 0.057 450 HG12 ILE 69 HG12 ILE 69 -14.746 -3.358 2.285 451 HG13 ILE 69 HG11 ILE 69 -14.851 -1.705 1.677 452 HG21 ILE 69 HG21 ILE 69 -11.713 -4.294 0.419 453 HG22 ILE 69 HG22 ILE 69 -13.401 -4.796 0.328 454 HG23 ILE 69 HG23 ILE 69 -12.603 -4.670 1.895 455 HD11 ILE 69 HD11 ILE 69 -15.057 -4.106 -0.148 456 HD12 ILE 69 HD12 ILE 69 -15.511 -2.438 -0.493 457 HD13 ILE 69 HD13 ILE 69 -16.468 -3.397 0.637 458 H PHE 70 HN PHE 70 -10.450 -3.325 3.329 459 HA PHE 70 HA PHE 70 -8.349 -2.810 1.263 460 HD1 PHE 70 HD2 PHE 70 -6.323 -1.013 1.293 461 HD2 PHE 70 HD1 PHE 70 -6.008 -3.702 4.625 462 HE1 PHE 70 HE2 PHE 70 -3.893 -1.253 0.867 463 HE2 PHE 70 HE1 PHE 70 -3.576 -3.941 4.203 464 HZ PHE 70 HZ PHE 70 -2.518 -2.715 2.325 465 HB2 PHE 70 HB2 PHE 70 -8.089 -1.159 3.093 466 HB3 PHE 70 HB1 PHE 70 -8.020 -2.476 4.263 467 H SER 71 HN SER 71 -7.111 -4.594 0.854 468 HA SER 71 HA SER 71 -7.211 -6.872 2.793 469 HG SER 71 HG SER 71 -6.822 -9.015 0.282 470 HB2 SER 71 HB2 SER 71 -8.834 -7.279 0.956 471 HB3 SER 71 HB1 SER 71 -7.533 -7.091 -0.216 472 H SER 72 HN SER 72 -5.305 -8.065 2.910 473 HA SER 72 HA SER 72 -3.141 -7.527 0.991 474 HG SER 72 HG SER 72 -2.404 -6.456 4.810 475 HB2 SER 72 HB2 SER 72 -1.573 -6.932 2.889 476 HB3 SER 72 HB1 SER 72 -2.758 -5.693 2.491 477 H SER 73 HN SER 73 -1.221 -8.876 1.440 478 HA SER 73 HA SER 73 -2.003 -11.588 1.981 479 HG SER 73 HG SER 73 1.633 -10.719 2.526 480 HB2 SER 73 HB2 SER 73 0.349 -12.108 1.625 481 HB3 SER 73 HB1 SER 73 -0.160 -10.905 0.445 482 H GLU 74 HN GLU 74 -0.806 -12.982 3.610 483 HA GLU 74 HA GLU 74 -1.266 -12.011 6.273 484 HB2 GLU 74 HB2 GLU 74 -0.340 -14.148 7.001 485 HB3 GLU 74 HB1 GLU 74 -1.385 -14.415 5.607 486 HG2 GLU 74 HG2 GLU 74 0.660 -14.338 4.143 487 HG3 GLU 74 HG1 GLU 74 1.644 -14.268 5.604 488 H GLU 75 HN GLU 75 1.632 -12.338 4.278 489 HA GLU 75 HA GLU 75 3.531 -11.737 6.342 490 HB2 GLU 75 HB2 GLU 75 3.659 -11.424 3.331 491 HB3 GLU 75 HB1 GLU 75 5.039 -11.176 4.401 492 HG2 GLU 75 HG2 GLU 75 4.832 -13.483 5.229 493 HG3 GLU 75 HG1 GLU 75 3.425 -13.736 4.195 494 H LEU 76 HN LEU 76 1.567 -9.750 4.206 495 HA LEU 76 HA LEU 76 2.923 -7.279 5.098 496 HG LEU 76 HG LEU 76 0.414 -5.519 4.190 497 HB2 LEU 76 HB2 LEU 76 2.269 -7.442 2.746 498 HB3 LEU 76 HB1 LEU 76 0.596 -7.746 3.206 499 HD11 LEU 76 HD11 LEU 76 3.375 -5.440 3.621 500 HD12 LEU 76 HD12 LEU 76 2.518 -5.005 5.096 501 HD13 LEU 76 HD13 LEU 76 2.443 -3.947 3.701 502 HD21 LEU 76 HD21 LEU 76 1.757 -5.323 1.478 503 HD22 LEU 76 HD22 LEU 76 0.592 -4.193 2.163 504 HD23 LEU 76 HD23 LEU 76 0.084 -5.819 1.713 505 H ASP 77 HN ASP 77 0.233 -9.237 5.953 506 HA ASP 77 HA ASP 77 -1.411 -7.173 7.148 507 HB2 ASP 77 HB2 ASP 77 -2.327 -9.366 6.477 508 HB3 ASP 77 HB1 ASP 77 -1.311 -10.154 7.685 509 H LYS 78 HN LYS 78 1.019 -9.460 8.386 510 HA LYS 78 HA LYS 78 0.740 -8.792 11.149 511 HB2 LYS 78 HB2 LYS 78 2.904 -9.882 11.433 512 HB3 LYS 78 HB1 LYS 78 1.935 -10.803 10.282 513 HG2 LYS 78 HG2 LYS 78 3.104 -9.660 8.417 514 HG3 LYS 78 HG1 LYS 78 4.120 -8.809 9.576 515 HD2 LYS 78 HD2 LYS 78 4.906 -11.007 10.447 516 HD3 LYS 78 HD1 LYS 78 3.970 -11.808 9.186 517 HE2 LYS 78 HE2 LYS 78 5.264 -10.645 7.453 518 HE3 LYS 78 HE1 LYS 78 6.176 -9.786 8.692 519 HZ1 LYS 78 HZ1 LYS 78 6.455 -12.355 9.446 520 HZ2 LYS 78 HZ2 LYS 78 7.585 -11.491 8.517 521 HZ3 LYS 78 HZ3 LYS 78 6.451 -12.499 7.756 522 H MET 79 HN MET 79 2.229 -7.125 8.517 523 HA MET 79 HA MET 79 4.146 -5.565 9.959 524 HB2 MET 79 HB2 MET 79 2.617 -5.124 7.401 525 HB3 MET 79 HB1 MET 79 3.767 -3.941 7.999 526 HG2 MET 79 HG2 MET 79 4.451 -6.853 7.536 527 HG3 MET 79 HG1 MET 79 4.741 -5.585 6.349 528 HE1 MET 79 HE1 MET 79 5.984 -3.659 6.578 529 HE2 MET 79 HE2 MET 79 7.451 -3.460 7.526 530 HE3 MET 79 HE3 MET 79 5.900 -2.996 8.214 531 H PHE 80 HN PHE 80 0.686 -5.183 9.362 532 HA PHE 80 HA PHE 80 0.455 -2.494 10.293 533 HD1 PHE 80 HD2 PHE 80 -0.063 -4.560 7.817 534 HD2 PHE 80 HD1 PHE 80 -2.926 -1.717 9.295 535 HE1 PHE 80 HE2 PHE 80 -0.349 -3.658 5.528 536 HE2 PHE 80 HE1 PHE 80 -3.208 -0.814 7.006 537 HZ PHE 80 HZ PHE 80 -1.922 -1.785 5.121 538 HB2 PHE 80 HB2 PHE 80 -1.484 -4.808 10.103 539 HB3 PHE 80 HB1 PHE 80 -1.977 -3.256 10.778 540 H GLN 81 HN GLN 81 0.411 -1.669 12.300 541 HA GLN 81 HA GLN 81 0.442 -3.555 14.637 542 HB2 GLN 81 HB2 GLN 81 1.680 -0.809 14.251 543 HB3 GLN 81 HB1 GLN 81 1.628 -1.660 15.797 544 HG2 GLN 81 HG2 GLN 81 2.909 -3.516 14.860 545 HG3 GLN 81 HG1 GLN 81 2.893 -2.755 13.270 546 HE21 GLN 81 HE21 GLN 81 5.400 -3.118 13.927 547 HE22 GLN 81 HE22 GLN 81 6.141 -1.755 14.617 548 H GLU 82 HN GLU 82 -1.187 -1.004 13.019 549 HA GLU 82 HA GLU 82 -2.933 -0.547 15.411 550 HB2 GLU 82 HB2 GLU 82 -1.921 1.305 13.262 551 HB3 GLU 82 HB1 GLU 82 -3.474 1.647 14.018 552 HG2 GLU 82 HG2 GLU 82 -2.469 1.725 16.216 553 HG3 GLU 82 HG1 GLU 82 -0.925 1.156 15.580 554 HA PRO 83 HA PRO 83 -6.318 -2.191 13.107 555 HB2 PRO 83 HB2 PRO 83 -8.397 -0.610 14.016 556 HB3 PRO 83 HB1 PRO 83 -7.662 -1.920 14.961 557 HG2 PRO 83 HG2 PRO 83 -7.158 1.023 15.101 558 HG3 PRO 83 HG1 PRO 83 -7.317 -0.162 16.416 559 HD2 PRO 83 HD2 PRO 83 -4.895 0.730 15.594 560 HD3 PRO 83 HD1 PRO 83 -5.130 -0.931 16.172 561 H ARG 84 HN ARG 84 -7.817 -1.758 11.382 562 HA ARG 84 HA ARG 84 -6.900 0.203 9.511 563 HE ARG 84 HE ARG 84 -9.387 -3.808 9.433 564 HB2 ARG 84 HB2 ARG 84 -9.392 -1.515 9.571 565 HB3 ARG 84 HB1 ARG 84 -8.912 -0.527 8.190 566 HG2 ARG 84 HG2 ARG 84 -6.773 -1.735 8.050 567 HG3 ARG 84 HG1 ARG 84 -7.224 -2.709 9.449 568 HD2 ARG 84 HD2 ARG 84 -8.832 -2.610 6.880 569 HD3 ARG 84 HD1 ARG 84 -7.629 -3.847 7.237 570 HH11 ARG 84 HH21 ARG 84 -9.470 -4.362 6.024 571 HH12 ARG 84 HH22 ARG 84 -10.792 -5.478 6.107 572 HH21 ARG 84 HH11 ARG 84 -11.109 -5.263 9.551 573 HH22 ARG 84 HH12 ARG 84 -11.719 -5.988 8.100 574 H LYS 85 HN LYS 85 -7.741 2.162 8.909 575 HA LYS 85 HA LYS 85 -10.201 3.159 10.251 576 HB2 LYS 85 HB2 LYS 85 -7.494 4.531 10.285 577 HB3 LYS 85 HB1 LYS 85 -9.010 5.316 10.734 578 HG2 LYS 85 HG2 LYS 85 -9.371 3.622 12.494 579 HG3 LYS 85 HG1 LYS 85 -7.849 2.845 12.053 580 HD2 LYS 85 HD2 LYS 85 -6.645 4.955 12.567 581 HD3 LYS 85 HD1 LYS 85 -8.171 5.682 13.074 582 HE2 LYS 85 HE2 LYS 85 -6.896 3.223 14.310 583 HE3 LYS 85 HE1 LYS 85 -6.915 4.838 15.020 584 HZ1 LYS 85 HZ1 LYS 85 -9.153 2.967 14.609 585 HZ2 LYS 85 HZ2 LYS 85 -9.448 4.637 14.711 586 HZ3 LYS 85 HZ3 LYS 85 -8.715 3.820 16.008 587 H GLY 86 HN GLY 86 -11.229 4.839 9.071 588 HA2 GLY 86 HA2 GLY 86 -10.902 4.699 6.227 589 HA3 GLY 86 HA1 GLY 86 -11.948 5.828 7.081 590 H TYR 87 HN TYR 87 -10.404 6.493 4.795 591 HA TYR 87 HA TYR 87 -7.936 7.796 5.337 592 HD1 TYR 87 HD2 TYR 87 -6.343 8.397 3.485 593 HD2 TYR 87 HD1 TYR 87 -9.885 10.709 2.736 594 HE1 TYR 87 HE2 TYR 87 -4.943 10.328 2.808 595 HE2 TYR 87 HE1 TYR 87 -8.485 12.639 2.062 596 HH TYR 87 HH TYR 87 -6.132 13.447 2.521 597 HB2 TYR 87 HB2 TYR 87 -8.700 7.362 3.064 598 HB3 TYR 87 HB1 TYR 87 -10.081 8.430 3.290 599 H ASP 88 HN ASP 88 -11.286 9.012 5.417 600 HA ASP 88 HA ASP 88 -10.602 11.715 6.094 601 HB2 ASP 88 HB2 ASP 88 -12.836 10.865 5.219 602 HB3 ASP 88 HB1 ASP 88 -13.153 10.274 6.850 603 H GLU 89 HN GLU 89 -11.178 8.810 8.028 604 HA GLU 89 HA GLU 89 -11.391 10.056 10.586 605 HB2 GLU 89 HB2 GLU 89 -11.881 7.635 10.040 606 HB3 GLU 89 HB1 GLU 89 -10.139 7.361 9.987 607 HG2 GLU 89 HG2 GLU 89 -10.874 6.768 12.199 608 HG3 GLU 89 HG1 GLU 89 -10.017 8.300 12.339 609 H ILE 90 HN ILE 90 -8.550 8.674 8.919 610 HA ILE 90 HA ILE 90 -6.686 9.437 10.964 611 HB ILE 90 HB ILE 90 -4.973 8.983 9.192 612 HG12 ILE 90 HG12 ILE 90 -7.393 8.433 7.471 613 HG13 ILE 90 HG11 ILE 90 -6.351 9.839 7.284 614 HG21 ILE 90 HG21 ILE 90 -5.990 7.164 10.572 615 HG22 ILE 90 HG22 ILE 90 -5.511 6.612 8.966 616 HG23 ILE 90 HG23 ILE 90 -7.208 6.940 9.317 617 HD11 ILE 90 HD11 ILE 90 -5.631 8.142 5.710 618 HD12 ILE 90 HD12 ILE 90 -5.534 6.945 6.998 619 HD13 ILE 90 HD13 ILE 90 -4.418 8.301 6.974 620 H LEU 91 HN LEU 91 -7.847 11.030 8.027 621 HA LEU 91 HA LEU 91 -5.992 13.193 7.999 622 HG LEU 91 HG LEU 91 -7.956 15.426 7.261 623 HB2 LEU 91 HB2 LEU 91 -7.513 12.643 6.122 624 HB3 LEU 91 HB1 LEU 91 -8.891 13.132 7.104 625 HD11 LEU 91 HD11 LEU 91 -5.636 15.268 7.050 626 HD12 LEU 91 HD12 LEU 91 -6.083 15.846 5.450 627 HD13 LEU 91 HD13 LEU 91 -5.728 14.137 5.698 628 HD21 LEU 91 HD21 LEU 91 -8.259 14.310 4.455 629 HD22 LEU 91 HD22 LEU 91 -8.307 16.026 4.856 630 HD23 LEU 91 HD23 LEU 91 -9.548 14.940 5.479 631 H GLU 92 HN GLU 92 -9.187 12.849 9.546 632 HA GLU 92 HA GLU 92 -9.200 15.505 10.674 633 HB2 GLU 92 HB2 GLU 92 -10.732 12.978 11.361 634 HB3 GLU 92 HB1 GLU 92 -11.044 14.543 12.115 635 HG2 GLU 92 HG2 GLU 92 -11.571 15.529 9.943 636 HG3 GLU 92 HG1 GLU 92 -11.149 14.023 9.127 637 H HIS 93 HN HIS 93 -8.187 12.326 11.854 638 HA HIS 93 HA HIS 93 -7.034 11.694 13.784 639 HD1 HIS 93 HD1 HIS 93 -5.343 13.954 16.278 640 HD2 HIS 93 HD2 HIS 93 -3.663 11.276 13.559 641 HE1 HIS 93 HE1 HIS 93 -3.607 12.626 17.558 642 HB2 HIS 93 HB2 HIS 93 -5.392 13.247 12.556 643 HB3 HIS 93 HB1 HIS 93 -5.862 14.482 13.725 644 H HIS 94 HN HIS 94 -9.644 13.223 14.022 645 HA HIS 94 HA HIS 94 -10.988 14.096 15.727 646 HD1 HIS 94 HD1 HIS 94 -12.646 13.042 17.613 647 HD2 HIS 94 HD2 HIS 94 -9.347 14.261 19.851 648 HE1 HIS 94 HE1 HIS 94 -13.560 14.008 19.770 649 HB2 HIS 94 HB2 HIS 94 -10.245 12.015 16.860 650 HB3 HIS 94 HB1 HIS 94 -8.846 12.875 17.499 651 H HIS 95 HN HIS 95 -8.411 15.524 14.733 652 HA HIS 95 HA HIS 95 -7.927 17.349 17.021 653 HD1 HIS 95 HD1 HIS 95 -6.637 20.001 14.445 654 HD2 HIS 95 HD2 HIS 95 -4.730 18.022 17.580 655 HE1 HIS 95 HE1 HIS 95 -5.281 21.750 15.677 656 HB2 HIS 95 HB2 HIS 95 -6.035 16.466 15.617 657 HB3 HIS 95 HB1 HIS 95 -6.685 17.381 14.257 658 H HIS 96 HN HIS 96 -9.098 19.171 17.202 659 HA HIS 96 HA HIS 96 -9.832 20.717 14.818 660 HD1 HIS 96 HD1 HIS 96 -12.996 22.037 16.962 661 HD2 HIS 96 HD2 HIS 96 -12.499 20.902 12.982 662 HE1 HIS 96 HE1 HIS 96 -14.274 23.725 15.571 663 HB2 HIS 96 HB2 HIS 96 -11.701 19.087 15.033 664 HB3 HIS 96 HB1 HIS 96 -11.989 19.660 16.677 665 H HIS 97 HN HIS 97 -10.971 22.783 15.527 666 HA HIS 97 HA HIS 97 -9.500 23.908 17.776 667 HD1 HIS 97 HD1 HIS 97 -7.928 25.696 16.714 668 HD2 HIS 97 HD2 HIS 97 -10.449 24.895 13.491 669 HE1 HIS 97 HE1 HIS 97 -6.482 25.771 14.637 670 HB2 HIS 97 HB2 HIS 97 -11.630 25.103 15.981 671 HB3 HIS 97 HB1 HIS 97 -10.647 26.008 17.132 672 H HIS 98 HN HIS 98 -10.382 24.716 19.706 673 HA HIS 98 HA HIS 98 -13.251 24.404 20.265 674 HD1 HIS 98 HD1 HIS 98 -14.600 22.075 20.334 675 HD2 HIS 98 HD2 HIS 98 -10.651 20.801 19.923 676 HE1 HIS 98 HE1 HIS 98 -14.645 20.098 18.751 677 HB2 HIS 98 HB2 HIS 98 -11.146 22.813 21.770 678 HB3 HIS 98 HB1 HIS 98 -12.843 22.944 22.235 Start of MODEL 2 1 HA ALA 12 HA ALA 12 -8.492 10.220 -14.769 2 H1 ALA 12 HN ALA 12 -8.264 12.482 -15.299 3 HB1 ALA 12 HB1 ALA 12 -5.591 10.526 -13.950 4 HB2 ALA 12 HB2 ALA 12 -6.155 10.255 -15.597 5 HB3 ALA 12 HB3 ALA 12 -6.408 9.018 -14.367 6 H PHE 13 HN PHE 13 -9.851 9.946 -13.103 7 HA PHE 13 HA PHE 13 -9.433 10.847 -10.424 8 HD1 PHE 13 HD2 PHE 13 -11.626 11.398 -9.009 9 HD2 PHE 13 HD1 PHE 13 -11.365 7.154 -9.608 10 HE1 PHE 13 HE2 PHE 13 -12.264 11.026 -6.642 11 HE2 PHE 13 HE1 PHE 13 -12.002 6.779 -7.240 12 HZ PHE 13 HZ PHE 13 -12.451 8.716 -5.757 13 HB2 PHE 13 HB2 PHE 13 -11.665 10.325 -11.312 14 HB3 PHE 13 HB1 PHE 13 -11.216 8.627 -11.465 15 H PHE 14 HN PHE 14 -8.197 8.142 -12.140 16 HA PHE 14 HA PHE 14 -7.815 6.292 -9.980 17 HD1 PHE 14 HD2 PHE 14 -7.638 3.607 -11.140 18 HD2 PHE 14 HD1 PHE 14 -8.323 6.848 -13.876 19 HE1 PHE 14 HE2 PHE 14 -9.522 2.352 -12.157 20 HE2 PHE 14 HE1 PHE 14 -10.205 5.592 -14.892 21 HZ PHE 14 HZ PHE 14 -10.804 3.345 -14.032 22 HB2 PHE 14 HB2 PHE 14 -6.274 6.725 -12.557 23 HB3 PHE 14 HB1 PHE 14 -5.972 5.378 -11.459 24 H ASN 15 HN ASN 15 -5.903 9.012 -11.173 25 HA ASN 15 HA ASN 15 -3.538 8.553 -9.629 26 HB2 ASN 15 HB2 ASN 15 -4.797 11.099 -10.680 27 HB3 ASN 15 HB1 ASN 15 -3.202 11.047 -9.930 28 HD21 ASN 15 HD21 ASN 15 -3.089 8.155 -11.282 29 HD22 ASN 15 HD22 ASN 15 -2.569 8.527 -12.852 30 H GLU 16 HN GLU 16 -6.498 10.354 -8.906 31 HA GLU 16 HA GLU 16 -5.623 11.371 -6.361 32 HB2 GLU 16 HB2 GLU 16 -8.371 10.899 -7.542 33 HB3 GLU 16 HB1 GLU 16 -8.127 11.656 -5.971 34 HG2 GLU 16 HG2 GLU 16 -8.274 13.507 -7.415 35 HG3 GLU 16 HG1 GLU 16 -6.532 13.276 -7.268 36 H GLN 17 HN GLN 17 -7.404 8.460 -7.312 37 HA GLN 17 HA GLN 17 -7.914 7.561 -4.622 38 HB2 GLN 17 HB2 GLN 17 -9.051 6.732 -6.763 39 HB3 GLN 17 HB1 GLN 17 -7.586 5.798 -7.062 40 HG2 GLN 17 HG2 GLN 17 -9.153 4.352 -5.929 41 HG3 GLN 17 HG1 GLN 17 -7.873 4.759 -4.785 42 HE21 GLN 17 HE21 GLN 17 -8.588 5.544 -2.796 43 HE22 GLN 17 HE22 GLN 17 -10.118 6.218 -2.510 44 H LYS 18 HN LYS 18 -5.274 7.075 -6.906 45 HA LYS 18 HA LYS 18 -3.863 5.036 -5.494 46 HB2 LYS 18 HB2 LYS 18 -3.371 5.805 -7.832 47 HB3 LYS 18 HB1 LYS 18 -2.689 7.283 -7.156 48 HG2 LYS 18 HG2 LYS 18 -1.055 5.934 -5.872 49 HG3 LYS 18 HG1 LYS 18 -1.720 4.466 -6.588 50 HD2 LYS 18 HD2 LYS 18 -0.679 6.725 -8.304 51 HD3 LYS 18 HD1 LYS 18 0.393 5.469 -7.692 52 HE2 LYS 18 HE2 LYS 18 -1.226 3.774 -8.723 53 HE3 LYS 18 HE1 LYS 18 -1.980 5.142 -9.542 54 HZ1 LYS 18 HZ1 LYS 18 -0.061 3.829 -10.663 55 HZ2 LYS 18 HZ2 LYS 18 0.928 4.818 -9.697 56 HZ3 LYS 18 HZ3 LYS 18 -0.145 5.516 -10.815 57 H GLU 19 HN GLU 19 -3.705 8.572 -5.310 58 HA GLU 19 HA GLU 19 -1.577 8.716 -3.391 59 HB2 GLU 19 HB2 GLU 19 -3.848 10.623 -4.018 60 HB3 GLU 19 HB1 GLU 19 -2.488 11.028 -2.974 61 HG2 GLU 19 HG2 GLU 19 -2.217 10.127 -5.858 62 HG3 GLU 19 HG1 GLU 19 -2.194 11.813 -5.339 63 H LYS 20 HN LYS 20 -5.113 8.563 -3.036 64 HA LYS 20 HA LYS 20 -5.178 8.969 -0.205 65 HB2 LYS 20 HB2 LYS 20 -7.071 7.486 -2.045 66 HB3 LYS 20 HB1 LYS 20 -7.410 7.777 -0.339 67 HG2 LYS 20 HG2 LYS 20 -7.216 10.211 -0.719 68 HG3 LYS 20 HG1 LYS 20 -6.890 9.919 -2.428 69 HD2 LYS 20 HD2 LYS 20 -9.098 8.837 -2.667 70 HD3 LYS 20 HD1 LYS 20 -9.424 9.119 -0.957 71 HE2 LYS 20 HE2 LYS 20 -9.250 11.552 -1.317 72 HE3 LYS 20 HE1 LYS 20 -8.908 11.279 -3.025 73 HZ1 LYS 20 HZ1 LYS 20 -11.093 10.026 -3.057 74 HZ2 LYS 20 HZ2 LYS 20 -11.188 11.716 -2.916 75 HZ3 LYS 20 HZ3 LYS 20 -11.414 10.733 -1.549 76 H VAL 21 HN VAL 21 -4.943 6.007 -2.149 77 HA VAL 21 HA VAL 21 -5.017 4.180 0.070 78 HB VAL 21 HB VAL 21 -3.776 3.926 -2.685 79 HG11 VAL 21 HG11 VAL 21 -2.649 2.318 -1.332 80 HG12 VAL 21 HG12 VAL 21 -3.944 1.427 -2.133 81 HG13 VAL 21 HG13 VAL 21 -4.123 1.919 -0.450 82 HG21 VAL 21 HG21 VAL 21 -6.408 3.076 -1.455 83 HG22 VAL 21 HG22 VAL 21 -5.808 2.405 -2.973 84 HG23 VAL 21 HG23 VAL 21 -6.157 4.132 -2.847 85 H THR 22 HN THR 22 -2.364 5.778 -1.647 86 HA THR 22 HA THR 22 -0.205 4.535 -0.268 87 HB THR 22 HB THR 22 -0.421 7.337 -1.412 88 HG1 THR 22 HG1 THR 22 0.025 6.426 -3.259 89 HG21 THR 22 HG21 THR 22 1.906 5.715 -0.389 90 HG22 THR 22 HG22 THR 22 1.480 7.385 -0.018 91 HG23 THR 22 HG23 THR 22 2.136 6.974 -1.602 92 H LEU 23 HN LEU 23 -2.017 7.507 0.439 93 HA LEU 23 HA LEU 23 -0.578 8.194 2.814 94 HG LEU 23 HG LEU 23 -3.197 9.077 4.416 95 HB2 LEU 23 HB2 LEU 23 -2.050 9.812 1.701 96 HB3 LEU 23 HB1 LEU 23 -3.446 8.780 2.004 97 HD11 LEU 23 HD11 LEU 23 -1.442 10.925 5.085 98 HD12 LEU 23 HD12 LEU 23 -0.647 10.448 3.583 99 HD13 LEU 23 HD13 LEU 23 -0.907 9.261 4.860 100 HD21 LEU 23 HD21 LEU 23 -3.838 11.383 4.566 101 HD22 LEU 23 HD22 LEU 23 -4.402 10.808 2.997 102 HD23 LEU 23 HD23 LEU 23 -2.943 11.795 3.104 103 H TYR 24 HN TYR 24 -3.480 6.251 2.243 104 HA TYR 24 HA TYR 24 -4.135 5.707 4.967 105 HD1 TYR 24 HD2 TYR 24 -6.822 4.750 5.300 106 HD2 TYR 24 HD1 TYR 24 -4.268 1.830 3.455 107 HE1 TYR 24 HE2 TYR 24 -7.758 2.996 6.779 108 HE2 TYR 24 HE1 TYR 24 -5.205 0.074 4.937 109 HH TYR 24 HH TYR 24 -6.629 0.525 7.638 110 HB2 TYR 24 HB2 TYR 24 -5.685 5.190 3.138 111 HB3 TYR 24 HB1 TYR 24 -4.543 4.022 2.477 112 H LEU 25 HN LEU 25 -2.154 3.912 2.636 113 HA LEU 25 HA LEU 25 -1.362 1.813 4.418 114 HG LEU 25 HG LEU 25 -2.281 1.852 1.713 115 HB2 LEU 25 HB2 LEU 25 -0.037 2.981 1.957 116 HB3 LEU 25 HB1 LEU 25 0.541 1.529 2.772 117 HD11 LEU 25 HD11 LEU 25 -1.568 0.448 -0.177 118 HD12 LEU 25 HD12 LEU 25 0.084 0.439 0.440 119 HD13 LEU 25 HD13 LEU 25 -0.634 1.945 -0.132 120 HD21 LEU 25 HD21 LEU 25 -1.977 -0.777 1.809 121 HD22 LEU 25 HD22 LEU 25 -2.373 0.109 3.279 122 HD23 LEU 25 HD23 LEU 25 -0.710 -0.394 2.976 123 H LYS 26 HN LYS 26 0.062 4.948 3.635 124 HA LYS 26 HA LYS 26 2.514 4.662 5.018 125 HB2 LYS 26 HB2 LYS 26 1.927 6.568 3.514 126 HB3 LYS 26 HB1 LYS 26 0.833 7.170 4.759 127 HG2 LYS 26 HG2 LYS 26 2.686 7.426 6.324 128 HG3 LYS 26 HG1 LYS 26 3.803 6.724 5.156 129 HD2 LYS 26 HD2 LYS 26 3.335 8.591 3.598 130 HD3 LYS 26 HD1 LYS 26 2.245 9.303 4.790 131 HE2 LYS 26 HE2 LYS 26 5.180 8.726 5.293 132 HE3 LYS 26 HE1 LYS 26 4.541 10.307 4.836 133 HZ1 LYS 26 HZ1 LYS 26 3.253 10.393 6.811 134 HZ2 LYS 26 HZ2 LYS 26 4.833 9.968 7.269 135 HZ3 LYS 26 HZ3 LYS 26 3.615 8.785 7.207 136 H HIS 27 HN HIS 27 -0.602 5.934 6.219 137 HA HIS 27 HA HIS 27 0.401 6.290 8.927 138 HD1 HIS 27 HD1 HIS 27 0.150 8.354 9.734 139 HD2 HIS 27 HD2 HIS 27 -2.617 8.856 6.660 140 HE1 HIS 27 HE1 HIS 27 0.319 10.774 9.007 141 HB2 HIS 27 HB2 HIS 27 -2.355 6.311 7.694 142 HB3 HIS 27 HB1 HIS 27 -2.115 6.498 9.431 143 H ASN 28 HN ASN 28 -1.587 3.829 7.310 144 HA ASN 28 HA ASN 28 -2.082 2.237 9.650 145 HB2 ASN 28 HB2 ASN 28 -2.008 1.544 6.705 146 HB3 ASN 28 HB1 ASN 28 -2.478 0.391 7.951 147 HD21 ASN 28 HD21 ASN 28 -4.292 1.355 9.508 148 HD22 ASN 28 HD22 ASN 28 -5.530 2.219 8.737 149 H ILE 29 HN ILE 29 0.483 2.210 7.205 150 HA ILE 29 HA ILE 29 1.880 0.080 8.740 151 HB ILE 29 HB ILE 29 2.509 1.121 5.978 152 HG12 ILE 29 HG12 ILE 29 1.027 -1.379 6.861 153 HG13 ILE 29 HG11 ILE 29 0.255 0.051 6.178 154 HG21 ILE 29 HG21 ILE 29 4.406 0.050 7.160 155 HG22 ILE 29 HG22 ILE 29 3.825 -0.988 5.858 156 HG23 ILE 29 HG23 ILE 29 3.392 -1.346 7.529 157 HD11 ILE 29 HD11 ILE 29 1.587 -0.213 4.119 158 HD12 ILE 29 HD12 ILE 29 0.619 -1.652 4.440 159 HD13 ILE 29 HD13 ILE 29 2.346 -1.653 4.796 160 HA PRO 30 HA PRO 30 4.323 3.709 10.086 161 HB2 PRO 30 HB2 PRO 30 5.699 2.412 12.091 162 HB3 PRO 30 HB1 PRO 30 4.044 3.021 12.286 163 HG2 PRO 30 HG2 PRO 30 4.990 0.243 11.782 164 HG3 PRO 30 HG1 PRO 30 3.644 0.813 12.787 165 HD2 PRO 30 HD2 PRO 30 3.342 -0.260 10.279 166 HD3 PRO 30 HD1 PRO 30 2.175 0.864 11.005 167 H ASP 31 HN ASP 31 5.350 0.657 8.894 168 HA ASP 31 HA ASP 31 8.191 1.503 8.662 169 HB2 ASP 31 HB2 ASP 31 7.622 -0.807 9.456 170 HB3 ASP 31 HB1 ASP 31 6.866 -1.120 7.894 171 H PHE 32 HN PHE 32 5.610 2.350 7.060 172 HA PHE 32 HA PHE 32 5.874 1.510 4.367 173 HD1 PHE 32 HD1 PHE 32 6.120 5.224 3.384 174 HD2 PHE 32 HD2 PHE 32 3.005 2.279 3.099 175 HE1 PHE 32 HE1 PHE 32 5.737 5.858 1.019 176 HE2 PHE 32 HE2 PHE 32 2.620 2.916 0.738 177 HZ PHE 32 HZ PHE 32 3.992 4.702 -0.307 178 HB2 PHE 32 HB2 PHE 32 3.947 2.797 5.211 179 HB3 PHE 32 HB1 PHE 32 4.982 4.207 5.428 180 H ASN 33 HN ASN 33 7.367 1.938 2.848 181 HA ASN 33 HA ASN 33 9.258 4.237 3.244 182 HB2 ASN 33 HB2 ASN 33 9.795 1.397 2.358 183 HB3 ASN 33 HB1 ASN 33 10.922 2.710 2.029 184 HD21 ASN 33 HD21 ASN 33 12.222 3.464 3.762 185 HD22 ASN 33 HD22 ASN 33 12.146 2.831 5.333 186 H THR 34 HN THR 34 8.076 1.893 0.805 187 HA THR 34 HA THR 34 7.608 4.159 -1.061 188 HB THR 34 HB THR 34 9.832 3.538 -1.698 189 HG1 THR 34 HG1 THR 34 8.476 1.953 -3.515 190 HG21 THR 34 HG21 THR 34 10.318 1.121 -2.304 191 HG22 THR 34 HG22 THR 34 8.800 0.700 -1.513 192 HG23 THR 34 HG23 THR 34 10.106 1.435 -0.582 193 H VAL 35 HN VAL 35 6.264 3.547 -2.876 194 HA VAL 35 HA VAL 35 4.821 0.952 -2.595 195 HB VAL 35 HB VAL 35 3.523 2.640 -1.376 196 HG11 VAL 35 HG11 VAL 35 2.631 4.606 -2.511 197 HG12 VAL 35 HG12 VAL 35 3.423 4.133 -4.013 198 HG13 VAL 35 HG13 VAL 35 4.391 4.619 -2.622 199 HG21 VAL 35 HG21 VAL 35 2.251 2.016 -4.053 200 HG22 VAL 35 HG22 VAL 35 1.414 2.323 -2.533 201 HG23 VAL 35 HG23 VAL 35 2.385 0.864 -2.727 202 H THR 36 HN THR 36 4.259 0.058 -4.533 203 HA THR 36 HA THR 36 4.576 1.718 -7.010 204 HB THR 36 HB THR 36 5.564 -1.118 -6.589 205 HG1 THR 36 HG1 THR 36 7.529 0.287 -7.298 206 HG21 THR 36 HG21 THR 36 5.441 0.709 -8.993 207 HG22 THR 36 HG22 THR 36 4.829 -0.938 -8.844 208 HG23 THR 36 HG23 THR 36 6.566 -0.648 -8.902 209 H PHE 37 HN PHE 37 2.791 1.671 -8.192 210 HA PHE 37 HA PHE 37 0.769 -0.474 -7.738 211 HD1 PHE 37 HD2 PHE 37 1.600 3.487 -7.377 212 HD2 PHE 37 HD1 PHE 37 -1.606 0.770 -6.490 213 HE1 PHE 37 HE2 PHE 37 1.375 4.489 -5.120 214 HE2 PHE 37 HE1 PHE 37 -1.829 1.775 -4.235 215 HZ PHE 37 HZ PHE 37 -0.340 3.632 -3.549 216 HB2 PHE 37 HB2 PHE 37 0.504 2.198 -9.150 217 HB3 PHE 37 HB1 PHE 37 -0.812 1.083 -8.783 218 H THR 38 HN THR 38 0.793 -2.089 -9.184 219 HA THR 38 HA THR 38 0.975 -1.516 -12.060 220 HB THR 38 HB THR 38 3.323 -1.745 -11.640 221 HG1 THR 38 HG1 THR 38 2.905 -4.381 -12.292 222 HG21 THR 38 HG21 THR 38 4.265 -3.618 -10.369 223 HG22 THR 38 HG22 THR 38 2.647 -4.258 -10.086 224 HG23 THR 38 HG23 THR 38 3.123 -2.718 -9.371 225 H ASN 39 HN ASN 39 -0.977 -2.612 -10.136 226 HA ASN 39 HA ASN 39 -1.610 -5.110 -11.607 227 HB2 ASN 39 HB2 ASN 39 -0.339 -5.797 -9.560 228 HB3 ASN 39 HB1 ASN 39 -1.550 -4.982 -8.574 229 HD21 ASN 39 HD21 ASN 39 -2.181 -7.069 -7.609 230 HD22 ASN 39 HD22 ASN 39 -3.106 -8.185 -8.494 231 H GLU 40 HN GLU 40 -2.570 -2.203 -11.003 232 HA GLU 40 HA GLU 40 -5.030 -2.261 -9.605 233 HB2 GLU 40 HB2 GLU 40 -4.141 -0.571 -11.953 234 HB3 GLU 40 HB1 GLU 40 -5.633 -0.279 -11.060 235 HG2 GLU 40 HG2 GLU 40 -4.369 0.013 -8.987 236 HG3 GLU 40 HG1 GLU 40 -2.865 -0.360 -9.823 237 H GLU 41 HN GLU 41 -7.113 -2.760 -10.159 238 HA GLU 41 HA GLU 41 -7.723 -3.625 -12.935 239 HB2 GLU 41 HB2 GLU 41 -8.688 -5.759 -12.165 240 HB3 GLU 41 HB1 GLU 41 -6.962 -5.679 -11.806 241 HG2 GLU 41 HG2 GLU 41 -7.512 -4.941 -9.486 242 HG3 GLU 41 HG1 GLU 41 -9.225 -5.134 -9.859 243 H PHE 42 HN PHE 42 -10.008 -3.740 -13.340 244 HA PHE 42 HA PHE 42 -11.529 -1.762 -11.848 245 HD1 PHE 42 HD2 PHE 42 -10.255 -2.634 -15.391 246 HD2 PHE 42 HD1 PHE 42 -13.226 -0.094 -13.611 247 HE1 PHE 42 HE2 PHE 42 -9.393 -0.709 -16.697 248 HE2 PHE 42 HE1 PHE 42 -12.365 1.830 -14.917 249 HZ PHE 42 HZ PHE 42 -10.450 1.522 -16.461 250 HB2 PHE 42 HB2 PHE 42 -12.167 -3.569 -14.181 251 HB3 PHE 42 HB1 PHE 42 -13.386 -2.523 -13.454 252 H ASN 43 HN ASN 43 -13.195 -2.085 -10.459 253 HA ASN 43 HA ASN 43 -13.661 -4.892 -9.588 254 HB2 ASN 43 HB2 ASN 43 -12.691 -2.944 -8.035 255 HB3 ASN 43 HB1 ASN 43 -14.406 -2.596 -7.818 256 HD21 ASN 43 HD21 ASN 43 -12.685 -5.748 -8.205 257 HD22 ASN 43 HD22 ASN 43 -13.264 -6.414 -6.756 258 HA PRO 44 HA PRO 44 -17.883 -4.651 -11.087 259 HB2 PRO 44 HB2 PRO 44 -18.548 -5.922 -8.448 260 HB3 PRO 44 HB1 PRO 44 -19.013 -6.424 -10.084 261 HG2 PRO 44 HG2 PRO 44 -17.090 -7.679 -8.682 262 HG3 PRO 44 HG1 PRO 44 -17.034 -7.528 -10.449 263 HD2 PRO 44 HD2 PRO 44 -15.388 -6.143 -8.400 264 HD3 PRO 44 HD1 PRO 44 -15.044 -6.473 -10.110 265 H ILE 45 HN ILE 45 -17.153 -3.785 -7.719 266 HA ILE 45 HA ILE 45 -19.523 -2.045 -7.521 267 HB ILE 45 HB ILE 45 -18.638 -3.402 -5.575 268 HG12 ILE 45 HG12 ILE 45 -18.546 -0.422 -5.048 269 HG13 ILE 45 HG11 ILE 45 -20.049 -1.282 -5.376 270 HG21 ILE 45 HG21 ILE 45 -16.200 -2.846 -6.200 271 HG22 ILE 45 HG22 ILE 45 -16.614 -2.787 -4.487 272 HG23 ILE 45 HG23 ILE 45 -16.476 -1.292 -5.412 273 HD11 ILE 45 HD11 ILE 45 -19.639 -1.075 -2.945 274 HD12 ILE 45 HD12 ILE 45 -18.117 -1.946 -3.136 275 HD13 ILE 45 HD13 ILE 45 -19.647 -2.761 -3.458 276 H GLY 46 HN GLY 46 -16.456 -1.802 -8.822 277 HA2 GLY 46 HA2 GLY 46 -16.534 0.773 -9.730 278 HA3 GLY 46 HA1 GLY 46 -15.951 0.993 -8.080 279 H ILE 47 HN ILE 47 -13.799 0.958 -7.860 280 HA ILE 47 HA ILE 47 -12.142 -0.586 -9.828 281 HB ILE 47 HB ILE 47 -10.463 1.235 -9.665 282 HG12 ILE 47 HG12 ILE 47 -12.653 2.760 -8.214 283 HG13 ILE 47 HG11 ILE 47 -11.240 2.074 -7.413 284 HG21 ILE 47 HG21 ILE 47 -13.215 2.200 -10.490 285 HG22 ILE 47 HG22 ILE 47 -12.170 1.174 -11.474 286 HG23 ILE 47 HG23 ILE 47 -11.669 2.817 -11.075 287 HD11 ILE 47 HD11 ILE 47 -11.169 4.119 -9.654 288 HD12 ILE 47 HD12 ILE 47 -9.761 3.439 -8.838 289 HD13 ILE 47 HD13 ILE 47 -10.889 4.461 -7.946 290 H SER 48 HN SER 48 -10.090 -1.304 -9.012 291 HA SER 48 HA SER 48 -9.913 -1.448 -6.022 292 HG SER 48 HG SER 48 -8.079 -4.158 -6.424 293 HB2 SER 48 HB2 SER 48 -10.746 -3.582 -6.903 294 HB3 SER 48 HB1 SER 48 -9.391 -3.659 -8.027 295 H ILE 49 HN ILE 49 -7.968 -0.893 -5.242 296 HA ILE 49 HA ILE 49 -5.763 -0.342 -7.162 297 HB ILE 49 HB ILE 49 -5.970 0.426 -4.240 298 HG12 ILE 49 HG12 ILE 49 -7.841 1.423 -5.440 299 HG13 ILE 49 HG11 ILE 49 -6.638 2.673 -5.135 300 HG21 ILE 49 HG21 ILE 49 -3.696 0.460 -5.184 301 HG22 ILE 49 HG22 ILE 49 -4.265 2.103 -4.883 302 HG23 ILE 49 HG23 ILE 49 -4.262 1.455 -6.524 303 HD11 ILE 49 HD11 ILE 49 -7.302 1.284 -7.725 304 HD12 ILE 49 HD12 ILE 49 -5.727 2.046 -7.501 305 HD13 ILE 49 HD13 ILE 49 -7.200 3.011 -7.395 306 H ASP 50 HN ASP 50 -4.248 -1.834 -7.362 307 HA ASP 50 HA ASP 50 -3.552 -3.553 -5.002 308 HB2 ASP 50 HB2 ASP 50 -3.720 -4.276 -7.936 309 HB3 ASP 50 HB1 ASP 50 -2.946 -5.298 -6.725 310 H GLY 51 HN GLY 51 -1.402 -3.834 -4.591 311 HA2 GLY 51 HA2 GLY 51 0.724 -3.327 -6.434 312 HA3 GLY 51 HA1 GLY 51 0.449 -1.863 -5.489 313 H TYR 52 HN TYR 52 2.721 -2.432 -4.824 314 HA TYR 52 HA TYR 52 2.608 -3.952 -2.275 315 HD1 TYR 52 HD1 TYR 52 6.445 -3.539 -3.998 316 HD2 TYR 52 HD2 TYR 52 3.140 -5.301 -6.104 317 HE1 TYR 52 HE1 TYR 52 7.525 -2.987 -6.165 318 HE2 TYR 52 HE2 TYR 52 4.222 -4.748 -8.264 319 HH TYR 52 HH TYR 52 7.426 -3.904 -8.555 320 HB2 TYR 52 HB2 TYR 52 4.822 -5.043 -2.866 321 HB3 TYR 52 HB1 TYR 52 3.421 -5.669 -3.734 322 H ILE 53 HN ILE 53 4.572 -3.585 -0.964 323 HA ILE 53 HA ILE 53 5.771 -0.892 -1.530 324 HB ILE 53 HB ILE 53 5.761 -0.499 0.909 325 HG12 ILE 53 HG12 ILE 53 4.136 -3.064 1.035 326 HG13 ILE 53 HG11 ILE 53 5.807 -2.912 1.578 327 HG21 ILE 53 HG21 ILE 53 3.397 -0.051 1.114 328 HG22 ILE 53 HG22 ILE 53 3.012 -1.269 -0.102 329 HG23 ILE 53 HG23 ILE 53 3.854 0.209 -0.570 330 HD11 ILE 53 HD11 ILE 53 3.433 -1.371 2.664 331 HD12 ILE 53 HD12 ILE 53 5.106 -1.134 3.167 332 HD13 ILE 53 HD13 ILE 53 4.299 -2.668 3.488 333 H ASN 54 HN ASN 54 7.804 -0.500 -0.387 334 HA ASN 54 HA ASN 54 10.042 -1.048 -0.031 335 HB2 ASN 54 HB2 ASN 54 8.700 -3.484 1.169 336 HB3 ASN 54 HB1 ASN 54 10.443 -3.229 1.231 337 HD21 ASN 54 HD21 ASN 54 7.500 -2.489 2.822 338 HD22 ASN 54 HD22 ASN 54 8.092 -1.266 3.837 339 H ASN 55 HN ASN 55 8.805 -1.671 -2.569 340 HA ASN 55 HA ASN 55 9.196 -2.887 -4.537 341 HB2 ASN 55 HB2 ASN 55 11.927 -2.781 -3.233 342 HB3 ASN 55 HB1 ASN 55 11.674 -3.405 -4.863 343 HD21 ASN 55 HD21 ASN 55 13.234 -1.040 -4.392 344 HD22 ASN 55 HD22 ASN 55 12.404 0.283 -5.055 345 H ASP 56 HN ASP 56 8.309 -4.462 -2.209 346 HA ASP 56 HA ASP 56 9.579 -7.105 -2.850 347 HB2 ASP 56 HB2 ASP 56 9.691 -6.238 -0.461 348 HB3 ASP 56 HB1 ASP 56 7.940 -6.447 -0.398 349 H LYS 57 HN LYS 57 8.371 -8.139 -4.298 350 HA LYS 57 HA LYS 57 5.643 -7.644 -4.916 351 HB2 LYS 57 HB2 LYS 57 7.365 -10.108 -5.315 352 HB3 LYS 57 HB1 LYS 57 5.752 -9.931 -6.006 353 HG2 LYS 57 HG2 LYS 57 6.495 -7.886 -7.191 354 HG3 LYS 57 HG1 LYS 57 8.113 -8.095 -6.518 355 HD2 LYS 57 HD2 LYS 57 8.308 -10.282 -7.640 356 HD3 LYS 57 HD1 LYS 57 6.685 -10.091 -8.303 357 HE2 LYS 57 HE2 LYS 57 7.421 -8.051 -9.499 358 HE3 LYS 57 HE1 LYS 57 9.049 -8.272 -8.857 359 HZ1 LYS 57 HZ1 LYS 57 8.037 -10.644 -10.086 360 HZ2 LYS 57 HZ2 LYS 57 9.493 -9.815 -10.372 361 HZ3 LYS 57 HZ3 LYS 57 8.070 -9.341 -11.170 362 H ASN 58 HN ASN 58 7.144 -9.783 -2.565 363 HA ASN 58 HA ASN 58 4.855 -11.371 -1.919 364 HB2 ASN 58 HB2 ASN 58 7.126 -10.488 -0.109 365 HB3 ASN 58 HB1 ASN 58 6.029 -11.833 0.198 366 HD21 ASN 58 HD21 ASN 58 6.015 -12.599 -2.725 367 HD22 ASN 58 HD22 ASN 58 7.513 -13.351 -2.991 368 H LEU 59 HN LEU 59 5.985 -8.232 -0.718 369 HA LEU 59 HA LEU 59 3.787 -8.024 1.222 370 HG LEU 59 HG LEU 59 6.898 -7.860 1.253 371 HB2 LEU 59 HB2 LEU 59 5.740 -5.904 0.276 372 HB3 LEU 59 HB1 LEU 59 4.707 -5.806 1.701 373 HD11 LEU 59 HD11 LEU 59 8.167 -6.646 2.884 374 HD12 LEU 59 HD12 LEU 59 6.796 -5.608 3.271 375 HD13 LEU 59 HD13 LEU 59 7.601 -5.459 1.709 376 HD21 LEU 59 HD21 LEU 59 4.833 -7.439 3.413 377 HD22 LEU 59 HD22 LEU 59 6.397 -8.147 3.824 378 HD23 LEU 59 HD23 LEU 59 5.351 -8.942 2.650 379 H SER 60 HN SER 60 2.118 -8.373 -0.473 380 HA SER 60 HA SER 60 1.624 -6.019 -2.226 381 HG SER 60 HG SER 60 2.561 -8.370 -3.007 382 HB2 SER 60 HB2 SER 60 0.363 -8.763 -2.153 383 HB3 SER 60 HB1 SER 60 -0.113 -7.478 -3.260 384 H PHE 61 HN PHE 61 -0.550 -5.132 -2.310 385 HA PHE 61 HA PHE 61 -2.282 -5.628 0.046 386 HD1 PHE 61 HD2 PHE 61 -3.029 -1.843 -1.362 387 HD2 PHE 61 HD1 PHE 61 1.027 -3.103 -0.717 388 HE1 PHE 61 HE2 PHE 61 -2.241 -0.136 -2.975 389 HE2 PHE 61 HE1 PHE 61 1.815 -1.393 -2.332 390 HZ PHE 61 HZ PHE 61 0.181 0.092 -3.462 391 HB2 PHE 61 HB2 PHE 61 -2.384 -3.234 0.598 392 HB3 PHE 61 HB1 PHE 61 -0.737 -3.840 0.759 393 H THR 62 HN THR 62 -4.420 -4.948 -0.263 394 HA THR 62 HA THR 62 -5.117 -3.930 -3.001 395 HB THR 62 HB THR 62 -6.414 -6.218 -1.498 396 HG1 THR 62 HG1 THR 62 -5.746 -7.362 -3.330 397 HG21 THR 62 HG21 THR 62 -8.245 -5.139 -2.486 398 HG22 THR 62 HG22 THR 62 -7.760 -6.276 -3.742 399 HG23 THR 62 HG23 THR 62 -7.301 -4.579 -3.866 400 H ALA 63 HN ALA 63 -6.633 -2.351 -3.005 401 HA ALA 63 HA ALA 63 -8.206 -1.858 -0.506 402 HB1 ALA 63 HB1 ALA 63 -7.045 0.397 -2.136 403 HB2 ALA 63 HB2 ALA 63 -6.138 -0.343 -0.816 404 HB3 ALA 63 HB3 ALA 63 -7.686 0.439 -0.491 405 H GLY 64 HN GLY 64 -10.256 -1.033 -0.845 406 HA2 GLY 64 HA2 GLY 64 -11.306 -1.307 -3.608 407 HA3 GLY 64 HA1 GLY 64 -12.268 -1.234 -2.131 408 H LYS 65 HN LYS 65 -11.219 0.487 -4.785 409 HA LYS 65 HA LYS 65 -10.997 2.836 -5.210 410 HB2 LYS 65 HB2 LYS 65 -13.390 3.802 -4.838 411 HB3 LYS 65 HB1 LYS 65 -13.184 2.459 -5.958 412 HG2 LYS 65 HG2 LYS 65 -13.837 0.862 -4.205 413 HG3 LYS 65 HG1 LYS 65 -14.022 2.180 -3.047 414 HD2 LYS 65 HD2 LYS 65 -15.565 1.967 -5.646 415 HD3 LYS 65 HD1 LYS 65 -16.184 1.420 -4.090 416 HE2 LYS 65 HE2 LYS 65 -15.628 3.845 -3.284 417 HE3 LYS 65 HE1 LYS 65 -15.602 4.232 -5.005 418 HZ1 LYS 65 HZ1 LYS 65 -17.779 4.575 -4.519 419 HZ2 LYS 65 HZ2 LYS 65 -17.839 3.359 -3.334 420 HZ3 LYS 65 HZ3 LYS 65 -17.841 2.945 -4.983 421 H ASP 66 HN ASP 66 -13.370 3.826 -3.018 422 HA ASP 66 HA ASP 66 -11.596 5.656 -1.678 423 HB2 ASP 66 HB2 ASP 66 -14.467 4.830 -1.202 424 HB3 ASP 66 HB1 ASP 66 -13.655 6.060 -0.230 425 H VAL 67 HN VAL 67 -10.606 3.052 -1.350 426 HA VAL 67 HA VAL 67 -9.843 1.555 0.264 427 HB VAL 67 HB VAL 67 -10.274 3.751 2.293 428 HG11 VAL 67 HG11 VAL 67 -9.243 1.629 3.015 429 HG12 VAL 67 HG12 VAL 67 -8.066 2.943 3.074 430 HG13 VAL 67 HG13 VAL 67 -8.029 1.783 1.745 431 HG21 VAL 67 HG21 VAL 67 -8.219 3.673 0.056 432 HG22 VAL 67 HG22 VAL 67 -8.143 4.764 1.440 433 HG23 VAL 67 HG23 VAL 67 -9.469 4.896 0.286 434 H LYS 68 HN LYS 68 -12.625 1.450 -0.267 435 HA LYS 68 HA LYS 68 -14.232 1.338 2.095 436 HB2 LYS 68 HB2 LYS 68 -14.416 -0.090 -0.565 437 HB3 LYS 68 HB1 LYS 68 -15.669 -0.199 0.671 438 HG2 LYS 68 HG2 LYS 68 -14.710 2.512 -0.240 439 HG3 LYS 68 HG1 LYS 68 -15.870 1.623 -1.227 440 HD2 LYS 68 HD2 LYS 68 -17.362 1.413 0.755 441 HD3 LYS 68 HD1 LYS 68 -16.225 2.377 1.694 442 HE2 LYS 68 HE2 LYS 68 -17.479 3.350 -0.876 443 HE3 LYS 68 HE1 LYS 68 -18.164 3.669 0.716 444 HZ1 LYS 68 HZ1 LYS 68 -16.439 5.293 -0.418 445 HZ2 LYS 68 HZ2 LYS 68 -15.330 4.252 0.340 446 HZ3 LYS 68 HZ3 LYS 68 -16.496 5.073 1.263 447 H ILE 69 HN ILE 69 -12.275 -1.094 0.425 448 HA ILE 69 HA ILE 69 -12.325 -2.708 2.934 449 HB ILE 69 HB ILE 69 -13.916 -3.629 1.149 450 HG12 ILE 69 HG12 ILE 69 -13.042 -5.970 1.450 451 HG13 ILE 69 HG11 ILE 69 -11.569 -5.281 2.126 452 HG21 ILE 69 HG21 ILE 69 -13.026 -4.649 -0.798 453 HG22 ILE 69 HG22 ILE 69 -11.367 -4.517 -0.211 454 HG23 ILE 69 HG23 ILE 69 -12.242 -3.073 -0.719 455 HD11 ILE 69 HD11 ILE 69 -12.578 -4.698 4.102 456 HD12 ILE 69 HD12 ILE 69 -13.664 -6.012 3.664 457 HD13 ILE 69 HD13 ILE 69 -14.130 -4.340 3.339 458 H PHE 70 HN PHE 70 -10.345 -3.338 3.551 459 HA PHE 70 HA PHE 70 -8.116 -3.182 1.554 460 HD1 PHE 70 HD1 PHE 70 -7.433 -3.638 5.789 461 HD2 PHE 70 HD2 PHE 70 -9.716 -0.496 3.956 462 HE1 PHE 70 HE1 PHE 70 -8.677 -3.308 7.914 463 HE2 PHE 70 HE2 PHE 70 -10.967 -0.167 6.081 464 HZ PHE 70 HZ PHE 70 -10.444 -1.572 8.058 465 HB2 PHE 70 HB2 PHE 70 -6.721 -2.586 3.675 466 HB3 PHE 70 HB1 PHE 70 -7.700 -1.331 2.919 467 H SER 71 HN SER 71 -6.843 -4.920 1.431 468 HA SER 71 HA SER 71 -6.997 -7.002 3.583 469 HG SER 71 HG SER 71 -9.032 -8.392 1.150 470 HB2 SER 71 HB2 SER 71 -7.200 -7.326 0.593 471 HB3 SER 71 HB1 SER 71 -6.686 -8.655 1.629 472 H SER 72 HN SER 72 -5.089 -8.228 3.856 473 HA SER 72 HA SER 72 -2.634 -7.154 2.512 474 HG SER 72 HG SER 72 -2.722 -5.498 3.800 475 HB2 SER 72 HB2 SER 72 -3.095 -7.692 5.448 476 HB3 SER 72 HB1 SER 72 -1.492 -7.495 4.749 477 H SER 73 HN SER 73 -0.920 -8.625 2.321 478 HA SER 73 HA SER 73 -1.745 -11.396 1.967 479 HG SER 73 HG SER 73 0.748 -8.864 1.398 480 HB2 SER 73 HB2 SER 73 0.677 -11.672 1.260 481 HB3 SER 73 HB1 SER 73 -0.251 -10.497 0.331 482 H GLU 74 HN GLU 74 -0.176 -13.140 2.751 483 HA GLU 74 HA GLU 74 -0.291 -13.334 5.577 484 HB2 GLU 74 HB2 GLU 74 -0.063 -15.263 3.989 485 HB3 GLU 74 HB1 GLU 74 1.611 -14.786 3.711 486 HG2 GLU 74 HG2 GLU 74 2.122 -15.094 6.088 487 HG3 GLU 74 HG1 GLU 74 0.440 -15.509 6.411 488 H GLU 75 HN GLU 75 2.421 -12.476 3.449 489 HA GLU 75 HA GLU 75 4.323 -12.132 5.591 490 HB2 GLU 75 HB2 GLU 75 4.269 -11.043 2.762 491 HB3 GLU 75 HB1 GLU 75 5.659 -10.932 3.840 492 HG2 GLU 75 HG2 GLU 75 4.338 -13.534 3.017 493 HG3 GLU 75 HG1 GLU 75 5.786 -12.875 2.263 494 H LEU 76 HN LEU 76 2.101 -9.985 3.895 495 HA LEU 76 HA LEU 76 3.074 -7.594 5.270 496 HG LEU 76 HG LEU 76 0.675 -5.905 5.055 497 HB2 LEU 76 HB2 LEU 76 2.081 -7.580 2.950 498 HB3 LEU 76 HB1 LEU 76 0.526 -7.985 3.670 499 HD11 LEU 76 HD11 LEU 76 3.282 -5.681 3.572 500 HD12 LEU 76 HD12 LEU 76 2.909 -5.294 5.253 501 HD13 LEU 76 HD13 LEU 76 2.404 -4.199 3.968 502 HD21 LEU 76 HD21 LEU 76 0.127 -4.374 3.234 503 HD22 LEU 76 HD22 LEU 76 -0.542 -5.968 2.883 504 HD23 LEU 76 HD23 LEU 76 0.927 -5.428 2.069 505 H ASP 77 HN ASP 77 0.895 -10.132 5.956 506 HA ASP 77 HA ASP 77 -1.078 -8.815 7.534 507 HB2 ASP 77 HB2 ASP 77 -1.243 -11.181 6.830 508 HB3 ASP 77 HB1 ASP 77 0.099 -11.583 7.900 509 H LYS 78 HN LYS 78 2.019 -10.282 8.508 510 HA LYS 78 HA LYS 78 1.799 -9.750 11.289 511 HB2 LYS 78 HB2 LYS 78 4.374 -9.806 11.192 512 HB3 LYS 78 HB1 LYS 78 3.523 -11.240 10.620 513 HG2 LYS 78 HG2 LYS 78 3.786 -10.539 8.306 514 HG3 LYS 78 HG1 LYS 78 4.510 -9.015 8.808 515 HD2 LYS 78 HD2 LYS 78 6.387 -10.229 9.841 516 HD3 LYS 78 HD1 LYS 78 5.662 -11.763 9.359 517 HE2 LYS 78 HE2 LYS 78 7.421 -11.071 7.767 518 HE3 LYS 78 HE1 LYS 78 5.841 -11.110 6.990 519 HZ1 LYS 78 HZ1 LYS 78 6.915 -9.099 6.373 520 HZ2 LYS 78 HZ2 LYS 78 7.287 -8.723 7.987 521 HZ3 LYS 78 HZ3 LYS 78 5.674 -8.695 7.457 522 H MET 79 HN MET 79 3.217 -7.762 8.702 523 HA MET 79 HA MET 79 4.099 -5.640 10.424 524 HB2 MET 79 HB2 MET 79 3.431 -5.767 7.477 525 HB3 MET 79 HB1 MET 79 4.006 -4.289 8.246 526 HG2 MET 79 HG2 MET 79 6.046 -5.440 8.984 527 HG3 MET 79 HG1 MET 79 5.461 -6.949 8.282 528 HE1 MET 79 HE1 MET 79 5.247 -3.177 6.556 529 HE2 MET 79 HE2 MET 79 6.988 -3.176 6.288 530 HE3 MET 79 HE3 MET 79 6.355 -3.413 7.915 531 H PHE 80 HN PHE 80 1.078 -6.227 8.666 532 HA PHE 80 HA PHE 80 -0.076 -3.660 9.382 533 HD1 PHE 80 HD1 PHE 80 -1.838 -2.573 7.685 534 HD2 PHE 80 HD2 PHE 80 -3.534 -6.101 9.456 535 HE1 PHE 80 HE1 PHE 80 -3.986 -1.380 8.012 536 HE2 PHE 80 HE2 PHE 80 -5.680 -4.902 9.782 537 HZ PHE 80 HZ PHE 80 -5.904 -2.544 9.052 538 HB2 PHE 80 HB2 PHE 80 -0.826 -4.883 7.385 539 HB3 PHE 80 HB1 PHE 80 -1.402 -6.204 8.402 540 H GLN 81 HN GLN 81 -0.417 -3.240 11.474 541 HA GLN 81 HA GLN 81 -2.123 -5.078 13.056 542 HB2 GLN 81 HB2 GLN 81 0.587 -4.036 13.929 543 HB3 GLN 81 HB1 GLN 81 -0.598 -4.716 15.044 544 HG2 GLN 81 HG2 GLN 81 -0.591 -6.830 13.770 545 HG3 GLN 81 HG1 GLN 81 0.592 -6.154 12.653 546 HE21 GLN 81 HE21 GLN 81 1.644 -8.304 13.711 547 HE22 GLN 81 HE22 GLN 81 2.665 -7.992 15.030 548 H GLU 82 HN GLU 82 -1.722 -2.156 11.772 549 HA GLU 82 HA GLU 82 -2.995 -0.714 14.075 550 HB2 GLU 82 HB2 GLU 82 -0.773 0.207 13.605 551 HB3 GLU 82 HB1 GLU 82 -1.194 0.396 11.901 552 HG2 GLU 82 HG2 GLU 82 -2.790 2.076 12.363 553 HG3 GLU 82 HG1 GLU 82 -2.860 1.668 14.075 554 HA PRO 83 HA PRO 83 -5.901 -0.736 10.505 555 HB2 PRO 83 HB2 PRO 83 -8.086 -1.714 11.792 556 HB3 PRO 83 HB1 PRO 83 -6.786 -2.761 11.189 557 HG2 PRO 83 HG2 PRO 83 -7.381 -1.908 13.969 558 HG3 PRO 83 HG1 PRO 83 -6.660 -3.414 13.381 559 HD2 PRO 83 HD2 PRO 83 -5.249 -1.199 14.465 560 HD3 PRO 83 HD1 PRO 83 -4.534 -2.580 13.606 561 H ARG 84 HN ARG 84 -6.613 1.234 10.030 562 HA ARG 84 HA ARG 84 -7.509 3.129 12.067 563 HE ARG 84 HE ARG 84 -3.585 5.316 10.880 564 HB2 ARG 84 HB2 ARG 84 -7.322 3.293 9.054 565 HB3 ARG 84 HB1 ARG 84 -7.841 4.634 10.074 566 HG2 ARG 84 HG2 ARG 84 -5.221 3.227 10.592 567 HG3 ARG 84 HG1 ARG 84 -5.330 4.507 9.387 568 HD2 ARG 84 HD2 ARG 84 -6.338 5.982 11.196 569 HD3 ARG 84 HD1 ARG 84 -5.922 4.719 12.353 570 HH11 ARG 84 HH21 ARG 84 -5.809 6.788 13.084 571 HH12 ARG 84 HH22 ARG 84 -4.618 7.838 13.776 572 HH21 ARG 84 HH11 ARG 84 -2.040 6.678 11.773 573 HH22 ARG 84 HH12 ARG 84 -2.490 7.774 13.035 574 H LYS 85 HN LYS 85 -9.530 4.351 11.733 575 HA LYS 85 HA LYS 85 -11.783 2.475 11.415 576 HB2 LYS 85 HB2 LYS 85 -11.626 5.371 12.297 577 HB3 LYS 85 HB1 LYS 85 -13.108 4.416 12.282 578 HG2 LYS 85 HG2 LYS 85 -12.116 2.817 13.860 579 HG3 LYS 85 HG1 LYS 85 -10.596 3.708 13.828 580 HD2 LYS 85 HD2 LYS 85 -11.606 4.544 15.773 581 HD3 LYS 85 HD1 LYS 85 -12.067 5.751 14.573 582 HE2 LYS 85 HE2 LYS 85 -13.996 5.058 15.977 583 HE3 LYS 85 HE1 LYS 85 -14.246 4.648 14.280 584 HZ1 LYS 85 HZ1 LYS 85 -12.894 2.596 15.765 585 HZ2 LYS 85 HZ2 LYS 85 -14.238 2.482 14.732 586 HZ3 LYS 85 HZ3 LYS 85 -14.449 2.925 16.358 587 H GLY 86 HN GLY 86 -10.079 4.554 9.398 588 HA2 GLY 86 HA2 GLY 86 -11.406 4.185 7.066 589 HA3 GLY 86 HA1 GLY 86 -12.401 5.440 7.802 590 H TYR 87 HN TYR 87 -11.137 5.942 5.424 591 HA TYR 87 HA TYR 87 -8.550 7.138 5.595 592 HD1 TYR 87 HD1 TYR 87 -10.472 10.175 3.723 593 HD2 TYR 87 HD2 TYR 87 -7.308 7.398 2.864 594 HE1 TYR 87 HE1 TYR 87 -9.087 12.029 2.836 595 HE2 TYR 87 HE2 TYR 87 -5.923 9.255 1.982 596 HH TYR 87 HH TYR 87 -6.015 11.426 1.235 597 HB2 TYR 87 HB2 TYR 87 -9.552 6.614 3.424 598 HB3 TYR 87 HB1 TYR 87 -10.866 7.749 3.731 599 H ASP 88 HN ASP 88 -11.684 8.192 6.613 600 HA ASP 88 HA ASP 88 -10.998 11.033 6.720 601 HB2 ASP 88 HB2 ASP 88 -13.318 9.430 7.823 602 HB3 ASP 88 HB1 ASP 88 -13.179 11.179 8.000 603 H GLU 89 HN GLU 89 -10.832 8.276 8.844 604 HA GLU 89 HA GLU 89 -10.588 9.761 11.321 605 HB2 GLU 89 HB2 GLU 89 -11.231 7.322 11.106 606 HB3 GLU 89 HB1 GLU 89 -9.545 6.983 10.721 607 HG2 GLU 89 HG2 GLU 89 -9.790 6.607 13.080 608 HG3 GLU 89 HG1 GLU 89 -8.932 8.139 12.904 609 H ILE 90 HN ILE 90 -8.255 8.373 9.018 610 HA ILE 90 HA ILE 90 -5.894 8.899 10.537 611 HB ILE 90 HB ILE 90 -4.749 8.922 8.268 612 HG12 ILE 90 HG12 ILE 90 -7.555 8.321 7.293 613 HG13 ILE 90 HG11 ILE 90 -6.753 9.871 7.057 614 HG21 ILE 90 HG21 ILE 90 -6.667 6.689 8.980 615 HG22 ILE 90 HG22 ILE 90 -4.989 6.848 9.490 616 HG23 ILE 90 HG23 ILE 90 -5.369 6.529 7.798 617 HD11 ILE 90 HD11 ILE 90 -6.016 7.181 5.893 618 HD12 ILE 90 HD12 ILE 90 -4.835 8.485 5.982 619 HD13 ILE 90 HD13 ILE 90 -6.311 8.697 5.045 620 H LEU 91 HN LEU 91 -7.945 11.039 8.753 621 HA LEU 91 HA LEU 91 -6.087 13.190 8.324 622 HG LEU 91 HG LEU 91 -8.553 11.698 7.092 623 HB2 LEU 91 HB2 LEU 91 -9.072 13.399 8.808 624 HB3 LEU 91 HB1 LEU 91 -8.056 14.562 7.954 625 HD11 LEU 91 HD11 LEU 91 -9.498 14.266 5.793 626 HD12 LEU 91 HD12 LEU 91 -10.503 13.301 6.871 627 HD13 LEU 91 HD13 LEU 91 -9.936 12.619 5.345 628 HD21 LEU 91 HD21 LEU 91 -7.495 12.728 4.921 629 HD22 LEU 91 HD22 LEU 91 -6.429 12.242 6.237 630 HD23 LEU 91 HD23 LEU 91 -6.842 13.943 6.022 631 H GLU 92 HN GLU 92 -8.073 12.250 11.072 632 HA GLU 92 HA GLU 92 -7.978 14.591 12.631 633 HB2 GLU 92 HB2 GLU 92 -9.242 12.503 13.212 634 HB3 GLU 92 HB1 GLU 92 -7.712 11.748 13.655 635 HG2 GLU 92 HG2 GLU 92 -7.334 13.415 15.388 636 HG3 GLU 92 HG1 GLU 92 -8.778 14.299 14.897 637 H HIS 93 HN HIS 93 -5.407 12.513 11.713 638 HA HIS 93 HA HIS 93 -3.587 12.812 13.864 639 HD1 HIS 93 HD1 HIS 93 -0.744 14.130 11.409 640 HD2 HIS 93 HD2 HIS 93 -1.106 10.602 13.601 641 HE1 HIS 93 HE1 HIS 93 1.528 13.689 12.440 642 HB2 HIS 93 HB2 HIS 93 -3.229 11.332 11.880 643 HB3 HIS 93 HB1 HIS 93 -2.929 12.770 10.905 644 H HIS 94 HN HIS 94 -4.286 14.962 11.135 645 HA HIS 94 HA HIS 94 -2.369 16.978 12.211 646 HD1 HIS 94 HD1 HIS 94 -2.582 14.472 9.364 647 HD2 HIS 94 HD2 HIS 94 -0.173 17.854 9.727 648 HE1 HIS 94 HE1 HIS 94 -0.249 13.767 8.675 649 HB2 HIS 94 HB2 HIS 94 -3.904 16.779 9.606 650 HB3 HIS 94 HB1 HIS 94 -2.937 18.186 10.051 651 H HIS 95 HN HIS 95 -3.957 17.136 14.078 652 HA HIS 95 HA HIS 95 -6.503 18.494 13.584 653 HD1 HIS 95 HD1 HIS 95 -6.413 20.470 16.773 654 HD2 HIS 95 HD2 HIS 95 -8.748 17.150 15.826 655 HE1 HIS 95 HE1 HIS 95 -8.776 21.028 17.494 656 HB2 HIS 95 HB2 HIS 95 -5.976 16.912 15.539 657 HB3 HIS 95 HB1 HIS 95 -5.047 18.243 16.227 658 H HIS 96 HN HIS 96 -3.323 19.450 13.551 659 HA HIS 96 HA HIS 96 -3.199 21.884 14.964 660 HD1 HIS 96 HD1 HIS 96 -0.624 21.718 15.748 661 HD2 HIS 96 HD2 HIS 96 -0.755 18.840 12.736 662 HE1 HIS 96 HE1 HIS 96 0.832 19.799 16.528 663 HB2 HIS 96 HB2 HIS 96 -2.028 21.256 12.238 664 HB3 HIS 96 HB1 HIS 96 -1.500 22.560 13.300 665 H HIS 97 HN HIS 97 -3.565 21.885 11.434 666 HA HIS 97 HA HIS 97 -4.799 24.458 11.334 667 HD1 HIS 97 HD1 HIS 97 -4.617 25.977 9.167 668 HD2 HIS 97 HD2 HIS 97 -7.157 22.964 7.809 669 HE1 HIS 97 HE1 HIS 97 -6.327 27.101 7.677 670 HB2 HIS 97 HB2 HIS 97 -3.698 23.396 9.384 671 HB3 HIS 97 HB1 HIS 97 -4.980 22.186 9.333 672 H HIS 98 HN HIS 98 -6.192 21.191 11.271 673 HA HIS 98 HA HIS 98 -8.643 22.104 12.527 674 HD1 HIS 98 HD1 HIS 98 -10.654 19.481 10.315 675 HD2 HIS 98 HD2 HIS 98 -11.507 23.409 11.420 676 HE1 HIS 98 HE1 HIS 98 -13.103 19.528 10.957 677 HB2 HIS 98 HB2 HIS 98 -9.020 22.879 10.188 678 HB3 HIS 98 HB1 HIS 98 -8.808 21.219 9.631 Start of MODEL 3 1 HA ALA 12 HA ALA 12 -5.311 13.169 -11.422 2 H1 ALA 12 HN ALA 12 -6.733 13.426 -13.888 3 HB1 ALA 12 HB1 ALA 12 -6.139 15.338 -12.255 4 HB2 ALA 12 HB2 ALA 12 -6.769 15.009 -10.641 5 HB3 ALA 12 HB3 ALA 12 -7.803 14.787 -12.052 6 H PHE 13 HN PHE 13 -8.243 11.818 -12.598 7 HA PHE 13 HA PHE 13 -9.670 11.365 -10.178 8 HD1 PHE 13 HD2 PHE 13 -12.208 11.152 -10.463 9 HD2 PHE 13 HD1 PHE 13 -10.356 7.520 -11.816 10 HE1 PHE 13 HE2 PHE 13 -13.926 9.828 -9.261 11 HE2 PHE 13 HE1 PHE 13 -12.075 6.197 -10.614 12 HZ PHE 13 HZ PHE 13 -13.860 7.350 -9.337 13 HB2 PHE 13 HB2 PHE 13 -10.601 11.040 -12.477 14 HB3 PHE 13 HB1 PHE 13 -9.601 9.595 -12.646 15 H PHE 14 HN PHE 14 -7.233 9.417 -11.867 16 HA PHE 14 HA PHE 14 -7.279 7.342 -9.786 17 HD1 PHE 14 HD2 PHE 14 -7.177 4.772 -10.694 18 HD2 PHE 14 HD1 PHE 14 -7.493 7.696 -13.824 19 HE1 PHE 14 HE2 PHE 14 -9.024 3.474 -11.722 20 HE2 PHE 14 HE1 PHE 14 -9.341 6.399 -14.851 21 HZ PHE 14 HZ PHE 14 -10.105 4.286 -13.800 22 HB2 PHE 14 HB2 PHE 14 -5.645 7.755 -12.307 23 HB3 PHE 14 HB1 PHE 14 -5.342 6.426 -11.187 24 H ASN 15 HN ASN 15 -5.416 10.164 -10.640 25 HA ASN 15 HA ASN 15 -3.011 9.611 -9.221 26 HB2 ASN 15 HB2 ASN 15 -3.441 11.521 -10.854 27 HB3 ASN 15 HB1 ASN 15 -4.284 12.343 -9.537 28 HD21 ASN 15 HD21 ASN 15 -1.891 13.440 -10.679 29 HD22 ASN 15 HD22 ASN 15 -0.663 13.373 -9.510 30 H GLU 16 HN GLU 16 -6.003 11.246 -8.190 31 HA GLU 16 HA GLU 16 -5.117 11.863 -5.537 32 HB2 GLU 16 HB2 GLU 16 -7.535 12.179 -5.052 33 HB3 GLU 16 HB1 GLU 16 -7.055 12.984 -6.544 34 HG2 GLU 16 HG2 GLU 16 -7.878 11.013 -7.828 35 HG3 GLU 16 HG1 GLU 16 -8.440 10.299 -6.322 36 H GLN 17 HN GLN 17 -6.743 9.062 -6.937 37 HA GLN 17 HA GLN 17 -7.396 7.712 -4.513 38 HB2 GLN 17 HB2 GLN 17 -6.742 6.642 -7.281 39 HB3 GLN 17 HB1 GLN 17 -7.396 5.656 -5.974 40 HG2 GLN 17 HG2 GLN 17 -8.735 8.143 -7.066 41 HG3 GLN 17 HG1 GLN 17 -9.161 6.502 -7.535 42 HE21 GLN 17 HE21 GLN 17 -10.312 8.873 -5.624 43 HE22 GLN 17 HE22 GLN 17 -10.949 7.964 -4.339 44 H LYS 18 HN LYS 18 -4.500 7.576 -6.569 45 HA LYS 18 HA LYS 18 -3.136 5.532 -5.109 46 HB2 LYS 18 HB2 LYS 18 -2.098 7.769 -6.875 47 HB3 LYS 18 HB1 LYS 18 -1.080 6.482 -6.227 48 HG2 LYS 18 HG2 LYS 18 -2.512 4.795 -7.326 49 HG3 LYS 18 HG1 LYS 18 -3.520 6.082 -7.987 50 HD2 LYS 18 HD2 LYS 18 -1.616 6.978 -9.235 51 HD3 LYS 18 HD1 LYS 18 -0.552 5.764 -8.523 52 HE2 LYS 18 HE2 LYS 18 -1.109 4.860 -10.636 53 HE3 LYS 18 HE1 LYS 18 -2.189 4.024 -9.522 54 HZ1 LYS 18 HZ1 LYS 18 -3.292 4.904 -11.542 55 HZ2 LYS 18 HZ2 LYS 18 -2.928 6.478 -11.019 56 HZ3 LYS 18 HZ3 LYS 18 -3.957 5.490 -10.096 57 H GLU 19 HN GLU 19 -3.129 9.072 -4.801 58 HA GLU 19 HA GLU 19 -1.032 9.262 -2.865 59 HB2 GLU 19 HB2 GLU 19 -3.453 11.034 -3.348 60 HB3 GLU 19 HB1 GLU 19 -2.104 11.466 -2.298 61 HG2 GLU 19 HG2 GLU 19 -1.818 10.767 -5.234 62 HG3 GLU 19 HG1 GLU 19 -1.900 12.414 -4.613 63 H LYS 20 HN LYS 20 -4.528 8.785 -2.542 64 HA LYS 20 HA LYS 20 -4.682 8.995 0.303 65 HB2 LYS 20 HB2 LYS 20 -6.378 7.474 -1.701 66 HB3 LYS 20 HB1 LYS 20 -6.784 7.601 0.010 67 HG2 LYS 20 HG2 LYS 20 -6.798 10.065 -0.180 68 HG3 LYS 20 HG1 LYS 20 -6.416 9.934 -1.892 69 HD2 LYS 20 HD2 LYS 20 -8.509 8.680 -2.273 70 HD3 LYS 20 HD1 LYS 20 -8.895 8.807 -0.557 71 HE2 LYS 20 HE2 LYS 20 -8.942 11.261 -0.732 72 HE3 LYS 20 HE1 LYS 20 -8.525 11.154 -2.443 73 HZ1 LYS 20 HZ1 LYS 20 -10.657 10.895 -2.908 74 HZ2 LYS 20 HZ2 LYS 20 -11.057 10.986 -1.259 75 HZ3 LYS 20 HZ3 LYS 20 -10.716 9.482 -1.971 76 H VAL 21 HN VAL 21 -4.128 6.228 -1.846 77 HA VAL 21 HA VAL 21 -4.096 4.198 0.165 78 HB VAL 21 HB VAL 21 -2.697 4.335 -2.529 79 HG11 VAL 21 HG11 VAL 21 -2.778 1.784 -2.257 80 HG12 VAL 21 HG12 VAL 21 -3.082 2.086 -0.547 81 HG13 VAL 21 HG13 VAL 21 -1.579 2.638 -1.285 82 HG21 VAL 21 HG21 VAL 21 -4.602 3.110 -3.354 83 HG22 VAL 21 HG22 VAL 21 -5.234 4.487 -2.450 84 HG23 VAL 21 HG23 VAL 21 -5.232 2.880 -1.724 85 H THR 22 HN THR 22 -1.517 6.165 -1.268 86 HA THR 22 HA THR 22 0.688 4.962 0.067 87 HB THR 22 HB THR 22 0.468 7.889 -0.701 88 HG1 THR 22 HG1 THR 22 1.336 7.034 -2.731 89 HG21 THR 22 HG21 THR 22 2.838 6.026 -0.859 90 HG22 THR 22 HG22 THR 22 2.479 6.965 0.591 91 HG23 THR 22 HG23 THR 22 2.835 7.787 -0.928 92 H LEU 23 HN LEU 23 -1.376 7.708 0.971 93 HA LEU 23 HA LEU 23 0.002 8.442 3.337 94 HG LEU 23 HG LEU 23 -2.573 8.993 5.061 95 HB2 LEU 23 HB2 LEU 23 -1.704 9.880 2.292 96 HB3 LEU 23 HB1 LEU 23 -2.953 8.690 2.657 97 HD11 LEU 23 HD11 LEU 23 -0.303 9.494 5.349 98 HD12 LEU 23 HD12 LEU 23 -1.045 11.066 5.621 99 HD13 LEU 23 HD13 LEU 23 -0.303 10.703 4.063 100 HD21 LEU 23 HD21 LEU 23 -3.040 11.469 3.398 101 HD22 LEU 23 HD22 LEU 23 -3.138 11.516 5.158 102 HD23 LEU 23 HD23 LEU 23 -4.223 10.472 4.244 103 H TYR 24 HN TYR 24 -2.633 6.159 2.760 104 HA TYR 24 HA TYR 24 -3.208 5.471 5.453 105 HD1 TYR 24 HD1 TYR 24 -5.575 4.026 5.901 106 HD2 TYR 24 HD2 TYR 24 -2.820 1.653 3.610 107 HE1 TYR 24 HE1 TYR 24 -6.143 2.034 7.267 108 HE2 TYR 24 HE2 TYR 24 -3.397 -0.335 4.973 109 HH TYR 24 HH TYR 24 -5.338 -0.086 7.855 110 HB2 TYR 24 HB2 TYR 24 -4.691 4.772 3.675 111 HB3 TYR 24 HB1 TYR 24 -3.406 3.857 2.887 112 H LEU 25 HN LEU 25 -0.933 4.014 3.130 113 HA LEU 25 HA LEU 25 0.049 1.957 4.846 114 HG LEU 25 HG LEU 25 -0.746 1.833 2.214 115 HB2 LEU 25 HB2 LEU 25 1.266 3.390 2.470 116 HB3 LEU 25 HB1 LEU 25 2.080 2.061 3.285 117 HD11 LEU 25 HD11 LEU 25 1.913 1.313 0.870 118 HD12 LEU 25 HD12 LEU 25 0.559 2.270 0.269 119 HD13 LEU 25 HD13 LEU 25 0.432 0.513 0.348 120 HD21 LEU 25 HD21 LEU 25 1.298 -0.045 3.385 121 HD22 LEU 25 HD22 LEU 25 0.177 -0.662 2.192 122 HD23 LEU 25 HD23 LEU 25 -0.433 0.041 3.679 123 H LYS 26 HN LYS 26 1.164 5.265 4.266 124 HA LYS 26 HA LYS 26 3.560 5.116 5.769 125 HB2 LYS 26 HB2 LYS 26 2.656 7.008 4.201 126 HB3 LYS 26 HB1 LYS 26 1.875 7.629 5.656 127 HG2 LYS 26 HG2 LYS 26 4.020 7.761 6.806 128 HG3 LYS 26 HG1 LYS 26 4.838 7.018 5.433 129 HD2 LYS 26 HD2 LYS 26 4.170 8.926 4.008 130 HD3 LYS 26 HD1 LYS 26 3.396 9.682 5.401 131 HE2 LYS 26 HE2 LYS 26 5.547 9.774 6.577 132 HE3 LYS 26 HE1 LYS 26 6.335 8.956 5.227 133 HZ1 LYS 26 HZ1 LYS 26 6.730 11.041 4.543 134 HZ2 LYS 26 HZ2 LYS 26 5.481 11.712 5.479 135 HZ3 LYS 26 HZ3 LYS 26 5.130 10.989 3.982 136 H HIS 27 HN HIS 27 0.258 5.927 6.744 137 HA HIS 27 HA HIS 27 1.070 6.414 9.527 138 HD1 HIS 27 HD1 HIS 27 1.154 8.364 9.860 139 HD2 HIS 27 HD2 HIS 27 -2.068 9.110 7.324 140 HE1 HIS 27 HE1 HIS 27 1.309 10.805 9.202 141 HB2 HIS 27 HB2 HIS 27 -1.589 6.447 8.075 142 HB3 HIS 27 HB1 HIS 27 -1.459 6.677 9.820 143 H ASN 28 HN ASN 28 -0.232 3.782 7.627 144 HA ASN 28 HA ASN 28 -0.931 2.244 10.081 145 HB2 ASN 28 HB2 ASN 28 -1.338 1.668 7.125 146 HB3 ASN 28 HB1 ASN 28 -1.782 0.560 8.422 147 HD21 ASN 28 HD21 ASN 28 -3.469 1.313 9.975 148 HD22 ASN 28 HD22 ASN 28 -4.585 2.498 9.494 149 H ILE 29 HN ILE 29 1.654 2.721 7.953 150 HA ILE 29 HA ILE 29 3.110 0.420 9.106 151 HB ILE 29 HB ILE 29 3.062 0.891 6.123 152 HG12 ILE 29 HG12 ILE 29 1.572 -1.104 7.848 153 HG13 ILE 29 HG11 ILE 29 0.877 0.072 6.734 154 HG21 ILE 29 HG21 ILE 29 5.099 -0.150 7.283 155 HG22 ILE 29 HG22 ILE 29 4.359 -1.113 6.005 156 HG23 ILE 29 HG23 ILE 29 4.042 -1.500 7.696 157 HD11 ILE 29 HD11 ILE 29 2.438 -1.232 4.988 158 HD12 ILE 29 HD12 ILE 29 0.817 -1.800 5.385 159 HD13 ILE 29 HD13 ILE 29 2.221 -2.530 6.159 160 HA PRO 30 HA PRO 30 5.481 4.413 9.186 161 HB2 PRO 30 HB2 PRO 30 6.962 2.716 11.173 162 HB3 PRO 30 HB1 PRO 30 6.424 4.403 11.310 163 HG2 PRO 30 HG2 PRO 30 5.146 2.453 12.585 164 HG3 PRO 30 HG1 PRO 30 4.256 3.803 11.854 165 HD2 PRO 30 HD2 PRO 30 4.538 0.981 10.877 166 HD3 PRO 30 HD1 PRO 30 3.145 2.081 10.765 167 H ASP 31 HN ASP 31 6.574 1.075 8.903 168 HA ASP 31 HA ASP 31 9.239 1.768 7.944 169 HB2 ASP 31 HB2 ASP 31 7.680 -0.837 7.980 170 HB3 ASP 31 HB1 ASP 31 9.351 -0.698 7.432 171 H PHE 32 HN PHE 32 6.362 2.271 6.577 172 HA PHE 32 HA PHE 32 6.484 1.101 3.987 173 HD1 PHE 32 HD1 PHE 32 4.721 1.062 2.312 174 HD2 PHE 32 HD2 PHE 32 5.007 5.253 3.211 175 HE1 PHE 32 HE1 PHE 32 4.224 1.607 -0.053 176 HE2 PHE 32 HE2 PHE 32 4.508 5.796 0.844 177 HZ PHE 32 HZ PHE 32 4.115 3.972 -0.790 178 HB2 PHE 32 HB2 PHE 32 4.435 2.134 4.744 179 HB3 PHE 32 HB1 PHE 32 5.232 3.692 4.945 180 H ASN 33 HN ASN 33 7.687 1.537 2.276 181 HA ASN 33 HA ASN 33 9.515 3.909 2.342 182 HB2 ASN 33 HB2 ASN 33 10.497 1.566 2.215 183 HB3 ASN 33 HB1 ASN 33 9.745 1.419 0.625 184 HD21 ASN 33 HD21 ASN 33 11.809 1.392 -0.504 185 HD22 ASN 33 HD22 ASN 33 12.779 2.780 -0.619 186 H THR 34 HN THR 34 7.713 1.875 0.005 187 HA THR 34 HA THR 34 6.548 4.215 -1.282 188 HB THR 34 HB THR 34 8.739 4.306 -2.329 189 HG1 THR 34 HG1 THR 34 6.993 3.013 -4.138 190 HG21 THR 34 HG21 THR 34 9.757 2.446 -3.437 191 HG22 THR 34 HG22 THR 34 8.299 1.466 -3.278 192 HG23 THR 34 HG23 THR 34 9.260 1.857 -1.851 193 H VAL 35 HN VAL 35 5.194 3.544 -3.165 194 HA VAL 35 HA VAL 35 4.294 0.698 -2.968 195 HB VAL 35 HB VAL 35 2.741 2.209 -1.759 196 HG11 VAL 35 HG11 VAL 35 2.250 3.451 -4.478 197 HG12 VAL 35 HG12 VAL 35 3.195 4.219 -3.203 198 HG13 VAL 35 HG13 VAL 35 1.480 3.892 -2.954 199 HG21 VAL 35 HG21 VAL 35 1.524 1.220 -4.346 200 HG22 VAL 35 HG22 VAL 35 0.749 1.334 -2.765 201 HG23 VAL 35 HG23 VAL 35 2.016 0.139 -3.042 202 H THR 36 HN THR 36 3.920 -0.306 -4.842 203 HA THR 36 HA THR 36 4.178 1.278 -7.380 204 HB THR 36 HB THR 36 5.047 -1.575 -6.820 205 HG1 THR 36 HG1 THR 36 6.704 0.590 -7.493 206 HG21 THR 36 HG21 THR 36 6.134 -1.281 -9.090 207 HG22 THR 36 HG22 THR 36 5.182 0.194 -9.269 208 HG23 THR 36 HG23 THR 36 4.372 -1.364 -9.116 209 H PHE 37 HN PHE 37 2.396 1.256 -8.570 210 HA PHE 37 HA PHE 37 0.391 -0.930 -8.172 211 HD1 PHE 37 HD1 PHE 37 -1.449 -0.293 -6.654 212 HD2 PHE 37 HD2 PHE 37 0.490 3.396 -7.697 213 HE1 PHE 37 HE1 PHE 37 -1.717 0.512 -4.320 214 HE2 PHE 37 HE2 PHE 37 0.220 4.200 -5.364 215 HZ PHE 37 HZ PHE 37 -0.885 2.755 -3.679 216 HB2 PHE 37 HB2 PHE 37 0.020 1.827 -9.382 217 HB3 PHE 37 HB1 PHE 37 -1.244 0.628 -9.104 218 H THR 38 HN THR 38 0.351 -2.415 -9.686 219 HA THR 38 HA THR 38 0.689 -1.676 -12.540 220 HB THR 38 HB THR 38 2.902 -2.368 -12.162 221 HG1 THR 38 HG1 THR 38 2.623 -4.847 -12.689 222 HG21 THR 38 HG21 THR 38 1.776 -4.507 -10.328 223 HG22 THR 38 HG22 THR 38 2.680 -3.073 -9.838 224 HG23 THR 38 HG23 THR 38 3.479 -4.347 -10.759 225 H ASN 39 HN ASN 39 -0.249 -4.018 -10.073 226 HA ASN 39 HA ASN 39 -1.498 -5.915 -11.845 227 HB2 ASN 39 HB2 ASN 39 -1.936 -5.360 -8.888 228 HB3 ASN 39 HB1 ASN 39 -2.601 -6.744 -9.749 229 HD21 ASN 39 HD21 ASN 39 0.100 -6.618 -11.395 230 HD22 ASN 39 HD22 ASN 39 1.178 -7.457 -10.390 231 H GLU 40 HN GLU 40 -3.193 -3.954 -9.411 232 HA GLU 40 HA GLU 40 -5.285 -2.948 -9.414 233 HB2 GLU 40 HB2 GLU 40 -4.123 -1.414 -10.948 234 HB3 GLU 40 HB1 GLU 40 -4.593 -2.423 -12.315 235 HG2 GLU 40 HG2 GLU 40 -6.967 -2.023 -11.824 236 HG3 GLU 40 HG1 GLU 40 -6.530 -1.073 -10.404 237 H GLU 41 HN GLU 41 -7.464 -3.255 -9.931 238 HA GLU 41 HA GLU 41 -8.279 -5.131 -11.995 239 HB2 GLU 41 HB2 GLU 41 -7.437 -6.627 -10.160 240 HB3 GLU 41 HB1 GLU 41 -8.663 -5.932 -9.100 241 HG2 GLU 41 HG2 GLU 41 -9.576 -7.968 -10.015 242 HG3 GLU 41 HG1 GLU 41 -10.403 -6.625 -10.794 243 H PHE 42 HN PHE 42 -10.463 -5.007 -12.403 244 HA PHE 42 HA PHE 42 -11.903 -2.776 -11.094 245 HD1 PHE 42 HD2 PHE 42 -12.408 -0.769 -13.172 246 HD2 PHE 42 HD1 PHE 42 -10.439 -4.315 -14.581 247 HE1 PHE 42 HE2 PHE 42 -10.793 0.630 -14.429 248 HE2 PHE 42 HE1 PHE 42 -8.825 -2.915 -15.842 249 HZ PHE 42 HZ PHE 42 -9.001 -0.444 -15.765 250 HB2 PHE 42 HB2 PHE 42 -12.641 -4.430 -13.532 251 HB3 PHE 42 HB1 PHE 42 -13.464 -2.971 -12.975 252 H ASN 43 HN ASN 43 -13.756 -3.026 -9.961 253 HA ASN 43 HA ASN 43 -14.816 -5.772 -9.604 254 HB2 ASN 43 HB2 ASN 43 -14.218 -3.745 -7.449 255 HB3 ASN 43 HB1 ASN 43 -15.191 -5.191 -7.186 256 HD21 ASN 43 HD21 ASN 43 -12.023 -4.404 -8.743 257 HD22 ASN 43 HD22 ASN 43 -11.205 -5.735 -8.079 258 HA PRO 44 HA PRO 44 -18.850 -4.140 -10.481 259 HB2 PRO 44 HB2 PRO 44 -19.728 -5.497 -7.944 260 HB3 PRO 44 HB1 PRO 44 -20.399 -5.627 -9.582 261 HG2 PRO 44 HG2 PRO 44 -18.878 -7.560 -8.520 262 HG3 PRO 44 HG1 PRO 44 -18.835 -7.169 -10.249 263 HD2 PRO 44 HD2 PRO 44 -16.805 -6.595 -8.146 264 HD3 PRO 44 HD1 PRO 44 -16.615 -6.826 -9.899 265 H ILE 45 HN ILE 45 -17.694 -3.920 -7.141 266 HA ILE 45 HA ILE 45 -19.528 -1.834 -6.336 267 HB ILE 45 HB ILE 45 -18.019 -1.631 -4.364 268 HG12 ILE 45 HG12 ILE 45 -16.358 -3.741 -5.785 269 HG13 ILE 45 HG11 ILE 45 -15.887 -2.052 -5.621 270 HG21 ILE 45 HG21 ILE 45 -19.784 -3.424 -4.573 271 HG22 ILE 45 HG22 ILE 45 -18.456 -3.840 -3.491 272 HG23 ILE 45 HG23 ILE 45 -18.517 -4.525 -5.115 273 HD11 ILE 45 HD11 ILE 45 -14.800 -3.277 -3.851 274 HD12 ILE 45 HD12 ILE 45 -16.314 -4.052 -3.387 275 HD13 ILE 45 HD13 ILE 45 -16.090 -2.323 -3.119 276 H GLY 46 HN GLY 46 -16.961 -1.821 -8.445 277 HA2 GLY 46 HA2 GLY 46 -16.839 0.614 -9.411 278 HA3 GLY 46 HA1 GLY 46 -16.144 0.977 -7.833 279 H ILE 47 HN ILE 47 -14.005 0.976 -7.796 280 HA ILE 47 HA ILE 47 -12.493 -0.869 -9.614 281 HB ILE 47 HB ILE 47 -10.791 0.895 -9.856 282 HG12 ILE 47 HG12 ILE 47 -12.772 2.681 -8.411 283 HG13 ILE 47 HG11 ILE 47 -11.282 2.069 -7.692 284 HG21 ILE 47 HG21 ILE 47 -13.478 2.079 -10.560 285 HG22 ILE 47 HG22 ILE 47 -12.837 0.665 -11.392 286 HG23 ILE 47 HG23 ILE 47 -11.962 2.193 -11.456 287 HD11 ILE 47 HD11 ILE 47 -10.835 4.291 -8.529 288 HD12 ILE 47 HD12 ILE 47 -11.529 3.892 -10.100 289 HD13 ILE 47 HD13 ILE 47 -10.016 3.142 -9.588 290 H SER 48 HN SER 48 -10.461 -1.554 -8.835 291 HA SER 48 HA SER 48 -9.929 -1.114 -5.934 292 HG SER 48 HG SER 48 -8.788 -3.915 -7.667 293 HB2 SER 48 HB2 SER 48 -9.617 -3.471 -5.557 294 HB3 SER 48 HB1 SER 48 -11.198 -3.263 -6.301 295 H ILE 49 HN ILE 49 -7.864 -0.730 -5.527 296 HA ILE 49 HA ILE 49 -5.898 -0.913 -7.740 297 HB ILE 49 HB ILE 49 -5.783 0.445 -5.027 298 HG12 ILE 49 HG12 ILE 49 -5.879 1.626 -7.818 299 HG13 ILE 49 HG11 ILE 49 -7.309 1.401 -6.811 300 HG21 ILE 49 HG21 ILE 49 -3.714 1.518 -6.065 301 HG22 ILE 49 HG22 ILE 49 -3.787 0.255 -7.295 302 HG23 ILE 49 HG23 ILE 49 -3.544 -0.175 -5.603 303 HD11 ILE 49 HD11 ILE 49 -6.436 2.883 -5.117 304 HD12 ILE 49 HD12 ILE 49 -6.296 3.708 -6.670 305 HD13 ILE 49 HD13 ILE 49 -4.874 2.973 -5.932 306 H ASP 50 HN ASP 50 -4.429 -2.456 -7.807 307 HA ASP 50 HA ASP 50 -3.767 -3.995 -5.326 308 HB2 ASP 50 HB2 ASP 50 -5.255 -5.304 -6.805 309 HB3 ASP 50 HB1 ASP 50 -4.113 -5.095 -8.129 310 H GLY 51 HN GLY 51 -1.651 -4.342 -4.976 311 HA2 GLY 51 HA2 GLY 51 0.393 -4.412 -6.970 312 HA3 GLY 51 HA1 GLY 51 0.337 -2.800 -6.260 313 H TYR 52 HN TYR 52 2.390 -3.066 -5.323 314 HA TYR 52 HA TYR 52 2.359 -4.577 -2.763 315 HD1 TYR 52 HD1 TYR 52 6.260 -3.861 -4.282 316 HD2 TYR 52 HD2 TYR 52 3.164 -5.728 -6.602 317 HE1 TYR 52 HE1 TYR 52 7.403 -3.165 -6.372 318 HE2 TYR 52 HE2 TYR 52 4.309 -5.031 -8.687 319 HH TYR 52 HH TYR 52 7.449 -4.036 -8.818 320 HB2 TYR 52 HB2 TYR 52 4.677 -5.445 -3.264 321 HB3 TYR 52 HB1 TYR 52 3.391 -6.183 -4.218 322 H ILE 53 HN ILE 53 4.094 -3.930 -1.322 323 HA ILE 53 HA ILE 53 5.068 -1.139 -1.877 324 HB ILE 53 HB ILE 53 4.820 -0.680 0.497 325 HG12 ILE 53 HG12 ILE 53 3.602 -3.455 0.741 326 HG13 ILE 53 HG11 ILE 53 5.234 -3.063 1.268 327 HG21 ILE 53 HG21 ILE 53 2.874 -0.151 -0.777 328 HG22 ILE 53 HG22 ILE 53 2.269 -1.002 0.642 329 HG23 ILE 53 HG23 ILE 53 2.400 -1.841 -0.902 330 HD11 ILE 53 HD11 ILE 53 4.300 -2.542 3.254 331 HD12 ILE 53 HD12 ILE 53 2.680 -2.481 2.571 332 HD13 ILE 53 HD13 ILE 53 3.722 -1.069 2.482 333 H ASN 54 HN ASN 54 6.972 -0.519 -0.659 334 HA ASN 54 HA ASN 54 9.221 -0.765 -0.148 335 HB2 ASN 54 HB2 ASN 54 8.126 -3.312 1.058 336 HB3 ASN 54 HB1 ASN 54 9.798 -2.790 1.248 337 HD21 ASN 54 HD21 ASN 54 6.671 -2.488 2.580 338 HD22 ASN 54 HD22 ASN 54 6.965 -1.144 3.576 339 H ASN 55 HN ASN 55 8.271 -1.606 -2.721 340 HA ASN 55 HA ASN 55 8.897 -2.821 -4.613 341 HB2 ASN 55 HB2 ASN 55 11.516 -2.344 -3.186 342 HB3 ASN 55 HB1 ASN 55 11.428 -3.052 -4.799 343 HD21 ASN 55 HD21 ASN 55 12.137 -0.189 -3.499 344 HD22 ASN 55 HD22 ASN 55 11.428 0.873 -4.618 345 H ASP 56 HN ASP 56 8.091 -4.426 -2.268 346 HA ASP 56 HA ASP 56 9.670 -6.924 -2.795 347 HB2 ASP 56 HB2 ASP 56 9.591 -6.043 -0.424 348 HB3 ASP 56 HB1 ASP 56 7.859 -6.370 -0.434 349 H LYS 57 HN LYS 57 8.673 -8.042 -4.312 350 HA LYS 57 HA LYS 57 5.961 -7.895 -5.084 351 HB2 LYS 57 HB2 LYS 57 7.920 -10.202 -5.365 352 HB3 LYS 57 HB1 LYS 57 6.408 -10.051 -6.256 353 HG2 LYS 57 HG2 LYS 57 8.444 -7.824 -6.332 354 HG3 LYS 57 HG1 LYS 57 8.619 -9.223 -7.389 355 HD2 LYS 57 HD2 LYS 57 6.318 -8.825 -8.255 356 HD3 LYS 57 HD1 LYS 57 6.208 -7.381 -7.256 357 HE2 LYS 57 HE2 LYS 57 6.858 -6.705 -9.480 358 HE3 LYS 57 HE1 LYS 57 8.241 -6.487 -8.406 359 HZ1 LYS 57 HZ1 LYS 57 9.410 -8.003 -9.510 360 HZ2 LYS 57 HZ2 LYS 57 8.233 -7.896 -10.732 361 HZ3 LYS 57 HZ3 LYS 57 8.125 -9.110 -9.548 362 H ASN 58 HN ASN 58 7.550 -9.901 -2.664 363 HA ASN 58 HA ASN 58 5.416 -11.735 -2.184 364 HB2 ASN 58 HB2 ASN 58 7.659 -10.685 -0.441 365 HB3 ASN 58 HB1 ASN 58 6.491 -11.863 0.158 366 HD21 ASN 58 HD21 ASN 58 9.235 -12.575 -0.068 367 HD22 ASN 58 HD22 ASN 58 9.404 -13.722 -1.307 368 H LEU 59 HN LEU 59 6.133 -8.518 -0.875 369 HA LEU 59 HA LEU 59 3.831 -8.552 0.944 370 HG LEU 59 HG LEU 59 6.939 -8.066 1.089 371 HB2 LEU 59 HB2 LEU 59 5.599 -6.222 0.134 372 HB3 LEU 59 HB1 LEU 59 4.518 -6.290 1.521 373 HD11 LEU 59 HD11 LEU 59 6.505 -5.996 3.250 374 HD12 LEU 59 HD12 LEU 59 7.288 -5.599 1.720 375 HD13 LEU 59 HD13 LEU 59 8.008 -6.798 2.795 376 HD21 LEU 59 HD21 LEU 59 5.448 -9.386 2.343 377 HD22 LEU 59 HD22 LEU 59 4.755 -7.991 3.172 378 HD23 LEU 59 HD23 LEU 59 6.366 -8.564 3.602 379 H SER 60 HN SER 60 2.109 -8.913 -0.514 380 HA SER 60 HA SER 60 1.583 -7.052 -2.703 381 HG SER 60 HG SER 60 -1.005 -9.950 -1.526 382 HB2 SER 60 HB2 SER 60 -0.414 -8.361 -3.071 383 HB3 SER 60 HB1 SER 60 0.901 -9.475 -2.714 384 H PHE 61 HN PHE 61 -0.476 -5.878 -2.843 385 HA PHE 61 HA PHE 61 -1.725 -5.052 -0.296 386 HD1 PHE 61 HD2 PHE 61 -2.520 -1.757 -2.288 387 HD2 PHE 61 HD1 PHE 61 -0.741 -2.789 1.482 388 HE1 PHE 61 HE2 PHE 61 -3.960 -0.090 -1.150 389 HE2 PHE 61 HE1 PHE 61 -2.173 -1.122 2.614 390 HZ PHE 61 HZ PHE 61 -3.794 0.227 1.305 391 HB2 PHE 61 HB2 PHE 61 0.242 -3.549 -0.583 392 HB3 PHE 61 HB1 PHE 61 -0.395 -3.044 -2.148 393 H THR 62 HN THR 62 -3.835 -4.720 -0.599 394 HA THR 62 HA THR 62 -4.856 -3.972 -3.290 395 HB THR 62 HB THR 62 -5.893 -6.260 -1.602 396 HG1 THR 62 HG1 THR 62 -3.962 -6.261 -3.227 397 HG21 THR 62 HG21 THR 62 -7.771 -5.146 -2.610 398 HG22 THR 62 HG22 THR 62 -7.422 -6.560 -3.606 399 HG23 THR 62 HG23 THR 62 -6.909 -4.958 -4.137 400 H ALA 63 HN ALA 63 -6.377 -2.456 -3.213 401 HA ALA 63 HA ALA 63 -7.929 -2.021 -0.707 402 HB1 ALA 63 HB1 ALA 63 -6.193 -0.424 -0.444 403 HB2 ALA 63 HB2 ALA 63 -7.557 0.484 -1.097 404 HB3 ALA 63 HB3 ALA 63 -6.224 0.012 -2.152 405 H GLY 64 HN GLY 64 -9.966 -1.284 -1.039 406 HA2 GLY 64 HA2 GLY 64 -10.939 -1.254 -3.859 407 HA3 GLY 64 HA1 GLY 64 -11.930 -1.512 -2.427 408 H LYS 65 HN LYS 65 -11.572 0.560 -4.790 409 HA LYS 65 HA LYS 65 -11.715 2.892 -5.066 410 HB2 LYS 65 HB2 LYS 65 -14.036 1.936 -4.563 411 HB3 LYS 65 HB1 LYS 65 -13.827 2.556 -2.929 412 HG2 LYS 65 HG2 LYS 65 -14.884 4.380 -3.927 413 HG3 LYS 65 HG1 LYS 65 -13.197 4.809 -4.201 414 HD2 LYS 65 HD2 LYS 65 -13.303 3.810 -6.453 415 HD3 LYS 65 HD1 LYS 65 -14.985 3.367 -6.182 416 HE2 LYS 65 HE2 LYS 65 -13.931 6.206 -6.077 417 HE3 LYS 65 HE1 LYS 65 -14.716 5.489 -7.485 418 HZ1 LYS 65 HZ1 LYS 65 -16.620 6.130 -6.577 419 HZ2 LYS 65 HZ2 LYS 65 -15.880 6.529 -5.100 420 HZ3 LYS 65 HZ3 LYS 65 -16.392 4.936 -5.395 421 H ASP 66 HN ASP 66 -13.048 4.032 -2.326 422 HA ASP 66 HA ASP 66 -10.560 5.333 -1.498 423 HB2 ASP 66 HB2 ASP 66 -12.717 6.568 -1.669 424 HB3 ASP 66 HB1 ASP 66 -13.367 5.575 -0.366 425 H VAL 67 HN VAL 67 -9.674 3.160 -0.856 426 HA VAL 67 HA VAL 67 -9.206 1.490 0.724 427 HB VAL 67 HB VAL 67 -9.594 3.666 2.779 428 HG11 VAL 67 HG11 VAL 67 -7.605 2.689 3.742 429 HG12 VAL 67 HG12 VAL 67 -7.324 1.714 2.299 430 HG13 VAL 67 HG13 VAL 67 -8.703 1.367 3.344 431 HG21 VAL 67 HG21 VAL 67 -7.493 3.553 0.589 432 HG22 VAL 67 HG22 VAL 67 -7.322 4.523 2.052 433 HG23 VAL 67 HG23 VAL 67 -8.623 4.868 0.914 434 H LYS 68 HN LYS 68 -12.042 1.874 0.065 435 HA LYS 68 HA LYS 68 -13.713 1.718 2.370 436 HB2 LYS 68 HB2 LYS 68 -14.045 0.634 -0.443 437 HB3 LYS 68 HB1 LYS 68 -15.315 0.576 0.776 438 HG2 LYS 68 HG2 LYS 68 -15.196 3.044 0.999 439 HG3 LYS 68 HG1 LYS 68 -13.954 3.087 -0.248 440 HD2 LYS 68 HD2 LYS 68 -15.929 3.543 -1.457 441 HD3 LYS 68 HD1 LYS 68 -15.680 1.819 -1.727 442 HE2 LYS 68 HE2 LYS 68 -17.341 1.226 -0.111 443 HE3 LYS 68 HE1 LYS 68 -17.423 2.870 0.517 444 HZ1 LYS 68 HZ1 LYS 68 -17.935 3.070 -2.178 445 HZ2 LYS 68 HZ2 LYS 68 -19.055 3.215 -0.909 446 HZ3 LYS 68 HZ3 LYS 68 -18.812 1.713 -1.663 447 H ILE 69 HN ILE 69 -12.072 -0.776 0.437 448 HA ILE 69 HA ILE 69 -12.671 -2.750 2.621 449 HB ILE 69 HB ILE 69 -12.372 -3.247 -0.355 450 HG12 ILE 69 HG12 ILE 69 -14.726 -3.732 1.499 451 HG13 ILE 69 HG11 ILE 69 -14.564 -2.290 0.496 452 HG21 ILE 69 HG21 ILE 69 -13.019 -5.612 0.407 453 HG22 ILE 69 HG22 ILE 69 -12.606 -5.084 2.037 454 HG23 ILE 69 HG23 ILE 69 -11.374 -5.096 0.776 455 HD11 ILE 69 HD11 ILE 69 -14.632 -5.147 -0.522 456 HD12 ILE 69 HD12 ILE 69 -14.465 -3.708 -1.526 457 HD13 ILE 69 HD13 ILE 69 -15.957 -3.987 -0.628 458 H PHE 70 HN PHE 70 -10.971 -3.478 3.647 459 HA PHE 70 HA PHE 70 -8.253 -2.914 2.616 460 HD1 PHE 70 HD2 PHE 70 -6.289 -2.124 3.806 461 HD2 PHE 70 HD1 PHE 70 -7.653 -5.385 6.250 462 HE1 PHE 70 HE2 PHE 70 -3.937 -2.746 4.295 463 HE2 PHE 70 HE1 PHE 70 -5.305 -6.004 6.736 464 HZ PHE 70 HZ PHE 70 -3.447 -4.688 5.759 465 HB2 PHE 70 HB2 PHE 70 -8.706 -2.287 4.930 466 HB3 PHE 70 HB1 PHE 70 -9.229 -3.927 5.310 467 H SER 71 HN SER 71 -7.132 -4.405 1.605 468 HA SER 71 HA SER 71 -7.493 -7.281 2.267 469 HG SER 71 HG SER 71 -9.204 -7.857 1.211 470 HB2 SER 71 HB2 SER 71 -7.882 -5.992 -0.426 471 HB3 SER 71 HB1 SER 71 -7.332 -7.663 -0.309 472 H SER 72 HN SER 72 -5.550 -8.039 2.739 473 HA SER 72 HA SER 72 -3.223 -7.424 1.040 474 HG SER 72 HG SER 72 -2.846 -6.908 4.917 475 HB2 SER 72 HB2 SER 72 -1.860 -6.842 3.095 476 HB3 SER 72 HB1 SER 72 -3.012 -5.613 2.583 477 H SER 73 HN SER 73 -1.334 -8.715 1.690 478 HA SER 73 HA SER 73 -2.095 -11.465 2.214 479 HG SER 73 HG SER 73 0.709 -9.510 2.729 480 HB2 SER 73 HB2 SER 73 0.103 -12.007 1.599 481 HB3 SER 73 HB1 SER 73 -0.193 -10.531 0.692 482 H GLU 74 HN GLU 74 -0.958 -12.787 3.833 483 HA GLU 74 HA GLU 74 -1.344 -11.774 6.483 484 HB2 GLU 74 HB2 GLU 74 0.051 -14.265 5.448 485 HB3 GLU 74 HB1 GLU 74 -0.251 -13.951 7.158 486 HG2 GLU 74 HG2 GLU 74 -2.662 -13.842 6.745 487 HG3 GLU 74 HG1 GLU 74 -2.398 -14.068 5.017 488 H GLU 75 HN GLU 75 1.506 -12.240 4.453 489 HA GLU 75 HA GLU 75 3.512 -11.775 6.409 490 HB2 GLU 75 HB2 GLU 75 3.489 -11.225 3.424 491 HB3 GLU 75 HB1 GLU 75 4.933 -11.113 4.433 492 HG2 GLU 75 HG2 GLU 75 4.695 -13.470 5.077 493 HG3 GLU 75 HG1 GLU 75 3.219 -13.596 4.123 494 H LEU 76 HN LEU 76 1.559 -9.597 4.464 495 HA LEU 76 HA LEU 76 2.981 -7.225 5.504 496 HG LEU 76 HG LEU 76 1.322 -5.159 4.866 497 HB2 LEU 76 HB2 LEU 76 2.194 -7.440 3.090 498 HB3 LEU 76 HB1 LEU 76 0.543 -7.339 3.695 499 HD11 LEU 76 HD11 LEU 76 3.819 -5.931 3.906 500 HD12 LEU 76 HD12 LEU 76 3.383 -4.321 4.452 501 HD13 LEU 76 HD13 LEU 76 3.317 -4.717 2.740 502 HD21 LEU 76 HD21 LEU 76 1.263 -5.189 1.840 503 HD22 LEU 76 HD22 LEU 76 0.822 -3.845 2.891 504 HD23 LEU 76 HD23 LEU 76 -0.173 -5.293 2.853 505 H ASP 77 HN ASP 77 0.173 -9.117 6.122 506 HA ASP 77 HA ASP 77 -1.475 -7.157 7.402 507 HB2 ASP 77 HB2 ASP 77 -2.172 -9.498 6.666 508 HB3 ASP 77 HB1 ASP 77 -1.348 -10.105 8.102 509 H LYS 78 HN LYS 78 1.154 -9.223 8.547 510 HA LYS 78 HA LYS 78 0.750 -8.578 11.348 511 HB2 LYS 78 HB2 LYS 78 2.871 -9.739 11.709 512 HB3 LYS 78 HB1 LYS 78 1.875 -10.660 10.586 513 HG2 LYS 78 HG2 LYS 78 3.123 -9.660 8.691 514 HG3 LYS 78 HG1 LYS 78 4.156 -8.804 9.832 515 HD2 LYS 78 HD2 LYS 78 4.880 -10.955 10.798 516 HD3 LYS 78 HD1 LYS 78 3.854 -11.816 9.651 517 HE2 LYS 78 HE2 LYS 78 5.137 -10.870 7.776 518 HE3 LYS 78 HE1 LYS 78 6.151 -9.977 8.906 519 HZ1 LYS 78 HZ1 LYS 78 7.281 -11.815 9.482 520 HZ2 LYS 78 HZ2 LYS 78 6.749 -12.398 7.977 521 HZ3 LYS 78 HZ3 LYS 78 5.923 -12.827 9.398 522 H MET 79 HN MET 79 2.081 -6.863 8.743 523 HA MET 79 HA MET 79 4.078 -5.362 10.247 524 HB2 MET 79 HB2 MET 79 2.787 -4.947 7.538 525 HB3 MET 79 HB1 MET 79 3.989 -3.848 8.204 526 HG2 MET 79 HG2 MET 79 5.581 -5.733 8.415 527 HG3 MET 79 HG1 MET 79 4.378 -6.818 7.717 528 HE1 MET 79 HE1 MET 79 7.451 -4.477 6.635 529 HE2 MET 79 HE2 MET 79 6.187 -3.636 7.524 530 HE3 MET 79 HE3 MET 79 6.463 -3.252 5.829 531 H PHE 80 HN PHE 80 0.761 -5.440 10.262 532 HA PHE 80 HA PHE 80 0.344 -2.546 10.696 533 HD1 PHE 80 HD2 PHE 80 -0.468 -5.281 8.372 534 HD2 PHE 80 HD1 PHE 80 -2.512 -1.678 9.492 535 HE1 PHE 80 HE2 PHE 80 -0.697 -4.669 5.975 536 HE2 PHE 80 HE1 PHE 80 -2.748 -1.070 7.098 537 HZ PHE 80 HZ PHE 80 -1.838 -2.561 5.343 538 HB2 PHE 80 HB2 PHE 80 -1.501 -4.953 10.666 539 HB3 PHE 80 HB1 PHE 80 -2.047 -3.341 11.129 540 H GLN 81 HN GLN 81 0.658 -1.695 12.630 541 HA GLN 81 HA GLN 81 0.742 -3.440 15.041 542 HB2 GLN 81 HB2 GLN 81 1.694 -0.615 14.469 543 HB3 GLN 81 HB1 GLN 81 1.677 -1.306 16.092 544 HG2 GLN 81 HG2 GLN 81 3.887 -1.622 15.082 545 HG3 GLN 81 HG1 GLN 81 3.092 -3.182 15.292 546 HE21 GLN 81 HE21 GLN 81 3.998 -4.320 13.517 547 HE22 GLN 81 HE22 GLN 81 3.807 -3.840 11.900 548 H GLU 82 HN GLU 82 -1.343 -1.309 13.403 549 HA GLU 82 HA GLU 82 -3.029 -1.105 15.830 550 HB2 GLU 82 HB2 GLU 82 -2.597 1.076 13.787 551 HB3 GLU 82 HB1 GLU 82 -3.771 1.143 15.100 552 HG2 GLU 82 HG2 GLU 82 -0.794 0.756 15.500 553 HG3 GLU 82 HG1 GLU 82 -1.623 2.305 15.648 554 HA PRO 83 HA PRO 83 -6.300 -2.906 13.445 555 HB2 PRO 83 HB2 PRO 83 -7.993 -0.632 14.432 556 HB3 PRO 83 HB1 PRO 83 -8.294 -2.379 14.517 557 HG2 PRO 83 HG2 PRO 83 -7.509 -0.975 16.658 558 HG3 PRO 83 HG1 PRO 83 -6.987 -2.647 16.387 559 HD2 PRO 83 HD2 PRO 83 -5.425 -0.130 16.116 560 HD3 PRO 83 HD1 PRO 83 -4.891 -1.781 16.505 561 H ARG 84 HN ARG 84 -7.372 -2.612 11.481 562 HA ARG 84 HA ARG 84 -6.346 -0.616 9.719 563 HE ARG 84 HE ARG 84 -11.319 -3.938 9.866 564 HB2 ARG 84 HB2 ARG 84 -7.994 -1.506 8.102 565 HB3 ARG 84 HB1 ARG 84 -7.114 -2.801 8.911 566 HG2 ARG 84 HG2 ARG 84 -9.013 -3.054 10.506 567 HG3 ARG 84 HG1 ARG 84 -9.897 -1.817 9.614 568 HD2 ARG 84 HD2 ARG 84 -9.766 -3.208 7.563 569 HD3 ARG 84 HD1 ARG 84 -8.923 -4.457 8.480 570 HH11 ARG 84 HH21 ARG 84 -10.288 -5.052 6.744 571 HH12 ARG 84 HH22 ARG 84 -11.680 -6.055 6.509 572 HH21 ARG 84 HH11 ARG 84 -13.125 -5.249 9.552 573 HH22 ARG 84 HH12 ARG 84 -13.277 -6.167 8.091 574 H LYS 85 HN LYS 85 -7.110 1.311 9.090 575 HA LYS 85 HA LYS 85 -9.760 2.224 10.141 576 HB2 LYS 85 HB2 LYS 85 -7.198 3.851 10.029 577 HB3 LYS 85 HB1 LYS 85 -8.768 4.419 10.592 578 HG2 LYS 85 HG2 LYS 85 -7.447 2.012 11.842 579 HG3 LYS 85 HG1 LYS 85 -7.067 3.641 12.387 580 HD2 LYS 85 HD2 LYS 85 -9.504 4.030 12.780 581 HD3 LYS 85 HD1 LYS 85 -9.815 2.352 12.355 582 HE2 LYS 85 HE2 LYS 85 -9.683 2.430 14.735 583 HE3 LYS 85 HE1 LYS 85 -8.183 1.694 14.172 584 HZ1 LYS 85 HZ1 LYS 85 -7.060 3.780 14.404 585 HZ2 LYS 85 HZ2 LYS 85 -7.845 3.429 15.869 586 HZ3 LYS 85 HZ3 LYS 85 -8.503 4.576 14.803 587 H GLY 86 HN GLY 86 -10.942 3.510 8.842 588 HA2 GLY 86 HA2 GLY 86 -10.513 3.347 6.003 589 HA3 GLY 86 HA1 GLY 86 -11.786 4.266 6.804 590 H TYR 87 HN TYR 87 -10.375 5.191 4.557 591 HA TYR 87 HA TYR 87 -8.186 6.911 5.081 592 HD1 TYR 87 HD2 TYR 87 -6.711 7.781 3.158 593 HD2 TYR 87 HD1 TYR 87 -10.620 9.454 2.544 594 HE1 TYR 87 HE2 TYR 87 -5.683 9.942 2.495 595 HE2 TYR 87 HE1 TYR 87 -9.595 11.614 1.889 596 HH TYR 87 HH TYR 87 -6.372 12.366 2.465 597 HB2 TYR 87 HB2 TYR 87 -8.848 6.351 2.803 598 HB3 TYR 87 HB1 TYR 87 -10.402 7.157 3.022 599 H ASP 88 HN ASP 88 -11.683 7.560 5.114 600 HA ASP 88 HA ASP 88 -11.497 10.342 5.748 601 HB2 ASP 88 HB2 ASP 88 -13.683 8.285 6.176 602 HB3 ASP 88 HB1 ASP 88 -13.885 9.986 6.597 603 H GLU 89 HN GLU 89 -11.624 7.434 7.755 604 HA GLU 89 HA GLU 89 -12.026 8.690 10.276 605 HB2 GLU 89 HB2 GLU 89 -12.152 6.202 9.791 606 HB3 GLU 89 HB1 GLU 89 -10.388 6.185 9.770 607 HG2 GLU 89 HG2 GLU 89 -11.075 5.561 11.992 608 HG3 GLU 89 HG1 GLU 89 -10.442 7.201 12.088 609 H ILE 90 HN ILE 90 -8.997 7.736 8.636 610 HA ILE 90 HA ILE 90 -7.278 8.810 10.688 611 HB ILE 90 HB ILE 90 -5.487 8.572 8.949 612 HG12 ILE 90 HG12 ILE 90 -7.758 7.614 7.202 613 HG13 ILE 90 HG11 ILE 90 -6.947 9.163 7.001 614 HG21 ILE 90 HG21 ILE 90 -6.283 6.657 10.377 615 HG22 ILE 90 HG22 ILE 90 -5.592 6.160 8.831 616 HG23 ILE 90 HG23 ILE 90 -7.341 6.180 9.049 617 HD11 ILE 90 HD11 ILE 90 -4.776 7.905 6.761 618 HD12 ILE 90 HD12 ILE 90 -5.929 7.600 5.462 619 HD13 ILE 90 HD13 ILE 90 -5.710 6.409 6.743 620 H LEU 91 HN LEU 91 -8.738 10.110 7.779 621 HA LEU 91 HA LEU 91 -7.176 12.476 7.557 622 HG LEU 91 HG LEU 91 -9.446 14.408 6.841 623 HB2 LEU 91 HB2 LEU 91 -8.678 11.673 5.758 624 HB3 LEU 91 HB1 LEU 91 -10.080 12.007 6.776 625 HD11 LEU 91 HD11 LEU 91 -7.100 13.350 5.283 626 HD12 LEU 91 HD12 LEU 91 -7.137 14.550 6.576 627 HD13 LEU 91 HD13 LEU 91 -7.670 14.986 4.959 628 HD21 LEU 91 HD21 LEU 91 -9.539 13.364 4.000 629 HD22 LEU 91 HD22 LEU 91 -10.079 14.942 4.572 630 HD23 LEU 91 HD23 LEU 91 -10.951 13.486 5.052 631 H GLU 92 HN GLU 92 -10.224 11.800 9.251 632 HA GLU 92 HA GLU 92 -10.584 14.481 10.254 633 HB2 GLU 92 HB2 GLU 92 -11.693 11.813 11.190 634 HB3 GLU 92 HB1 GLU 92 -12.227 13.379 11.800 635 HG2 GLU 92 HG2 GLU 92 -12.318 12.564 8.882 636 HG3 GLU 92 HG1 GLU 92 -13.696 12.487 9.980 637 H HIS 93 HN HIS 93 -9.040 11.569 11.471 638 HA HIS 93 HA HIS 93 -7.679 11.182 13.324 639 HD1 HIS 93 HD1 HIS 93 -5.383 10.965 14.150 640 HD2 HIS 93 HD2 HIS 93 -5.832 14.964 15.240 641 HE1 HIS 93 HE1 HIS 93 -3.995 11.297 16.242 642 HB2 HIS 93 HB2 HIS 93 -6.266 12.832 12.186 643 HB3 HIS 93 HB1 HIS 93 -7.148 14.145 12.963 644 H HIS 94 HN HIS 94 -8.071 14.433 14.437 645 HA HIS 94 HA HIS 94 -10.103 13.589 16.451 646 HD1 HIS 94 HD1 HIS 94 -6.572 12.436 16.198 647 HD2 HIS 94 HD2 HIS 94 -9.012 12.491 19.577 648 HE1 HIS 94 HE1 HIS 94 -6.293 10.183 17.319 649 HB2 HIS 94 HB2 HIS 94 -7.414 14.875 16.991 650 HB3 HIS 94 HB1 HIS 94 -8.735 14.872 18.161 651 H HIS 95 HN HIS 95 -11.318 15.287 17.319 652 HA HIS 95 HA HIS 95 -10.930 18.024 16.278 653 HD1 HIS 95 HD1 HIS 95 -12.546 14.390 15.342 654 HD2 HIS 95 HD2 HIS 95 -15.564 17.009 16.531 655 HE1 HIS 95 HE1 HIS 95 -14.513 12.951 16.031 656 HB2 HIS 95 HB2 HIS 95 -13.269 18.129 15.442 657 HB3 HIS 95 HB1 HIS 95 -12.286 16.983 14.532 658 H HIS 96 HN HIS 96 -12.479 19.535 17.294 659 HA HIS 96 HA HIS 96 -13.233 20.501 19.282 660 HD1 HIS 96 HD1 HIS 96 -14.788 18.177 22.089 661 HD2 HIS 96 HD2 HIS 96 -16.373 21.377 19.936 662 HE1 HIS 96 HE1 HIS 96 -16.052 19.606 23.755 663 HB2 HIS 96 HB2 HIS 96 -15.226 19.239 18.494 664 HB3 HIS 96 HB1 HIS 96 -14.716 17.865 19.477 665 H HIS 97 HN HIS 97 -10.988 20.219 20.067 666 HA HIS 97 HA HIS 97 -10.417 18.043 21.932 667 HD1 HIS 97 HD1 HIS 97 -8.720 22.092 22.777 668 HD2 HIS 97 HD2 HIS 97 -9.215 20.876 18.820 669 HE1 HIS 97 HE1 HIS 97 -8.810 24.205 21.384 670 HB2 HIS 97 HB2 HIS 97 -8.389 19.556 22.444 671 HB3 HIS 97 HB1 HIS 97 -8.511 18.921 20.805 672 H HIS 98 HN HIS 98 -11.987 21.069 22.027 673 HA HIS 98 HA HIS 98 -11.488 22.058 24.600 674 HD1 HIS 98 HD1 HIS 98 -12.416 22.727 20.967 675 HD2 HIS 98 HD2 HIS 98 -12.444 25.343 24.215 676 HE1 HIS 98 HE1 HIS 98 -11.311 24.865 20.175 677 HB2 HIS 98 HB2 HIS 98 -14.047 22.033 22.967 678 HB3 HIS 98 HB1 HIS 98 -13.866 22.943 24.467 Start of MODEL 4 1 HA ALA 12 HA ALA 12 -8.151 11.419 -12.557 2 H1 ALA 12 HN ALA 12 -10.129 12.418 -13.305 3 HB1 ALA 12 HB1 ALA 12 -7.912 13.966 -12.154 4 HB2 ALA 12 HB2 ALA 12 -6.764 12.890 -11.360 5 HB3 ALA 12 HB3 ALA 12 -8.111 13.570 -10.447 6 H PHE 13 HN PHE 13 -10.289 10.081 -11.582 7 HA PHE 13 HA PHE 13 -10.452 9.809 -8.742 8 HD1 PHE 13 HD1 PHE 13 -13.105 8.811 -8.085 9 HD2 PHE 13 HD2 PHE 13 -12.326 9.558 -12.245 10 HE1 PHE 13 HE1 PHE 13 -15.216 10.100 -8.249 11 HE2 PHE 13 HE2 PHE 13 -14.441 10.848 -12.407 12 HZ PHE 13 HZ PHE 13 -15.884 11.119 -10.409 13 HB2 PHE 13 HB2 PHE 13 -11.054 7.875 -11.005 14 HB3 PHE 13 HB1 PHE 13 -11.412 7.526 -9.315 15 H PHE 14 HN PHE 14 -8.506 8.136 -11.190 16 HA PHE 14 HA PHE 14 -7.296 6.209 -9.477 17 HD1 PHE 14 HD2 PHE 14 -6.582 3.955 -11.036 18 HD2 PHE 14 HD1 PHE 14 -8.429 7.171 -13.206 19 HE1 PHE 14 HE2 PHE 14 -8.147 2.346 -12.091 20 HE2 PHE 14 HE1 PHE 14 -9.994 5.560 -14.260 21 HZ PHE 14 HZ PHE 14 -9.852 3.148 -13.703 22 HB2 PHE 14 HB2 PHE 14 -6.331 7.508 -12.043 23 HB3 PHE 14 HB1 PHE 14 -5.493 6.169 -11.259 24 H ASN 15 HN ASN 15 -6.234 9.478 -10.414 25 HA ASN 15 HA ASN 15 -3.724 9.432 -9.062 26 HB2 ASN 15 HB2 ASN 15 -4.298 11.163 -10.704 27 HB3 ASN 15 HB1 ASN 15 -5.572 11.772 -9.646 28 HD21 ASN 15 HD21 ASN 15 -4.791 13.749 -8.863 29 HD22 ASN 15 HD22 ASN 15 -3.257 13.973 -8.173 30 H GLU 16 HN GLU 16 -6.954 10.444 -7.970 31 HA GLU 16 HA GLU 16 -6.132 11.378 -5.381 32 HB2 GLU 16 HB2 GLU 16 -8.813 10.346 -6.373 33 HB3 GLU 16 HB1 GLU 16 -8.571 11.123 -4.809 34 HG2 GLU 16 HG2 GLU 16 -7.911 12.398 -7.481 35 HG3 GLU 16 HG1 GLU 16 -9.381 12.713 -6.560 36 H GLN 17 HN GLN 17 -7.235 8.210 -6.543 37 HA GLN 17 HA GLN 17 -7.398 6.958 -3.961 38 HB2 GLN 17 HB2 GLN 17 -6.955 5.829 -6.741 39 HB3 GLN 17 HB1 GLN 17 -7.147 4.814 -5.312 40 HG2 GLN 17 HG2 GLN 17 -9.163 6.911 -6.163 41 HG3 GLN 17 HG1 GLN 17 -9.285 5.207 -6.599 42 HE21 GLN 17 HE21 GLN 17 -8.347 4.086 -4.097 43 HE22 GLN 17 HE22 GLN 17 -9.516 4.420 -2.911 44 H LYS 18 HN LYS 18 -4.770 7.273 -6.325 45 HA LYS 18 HA LYS 18 -2.899 5.558 -5.024 46 HB2 LYS 18 HB2 LYS 18 -2.529 7.951 -6.851 47 HB3 LYS 18 HB1 LYS 18 -1.179 6.965 -6.284 48 HG2 LYS 18 HG2 LYS 18 -2.200 4.962 -7.269 49 HG3 LYS 18 HG1 LYS 18 -3.585 5.910 -7.802 50 HD2 LYS 18 HD2 LYS 18 -2.044 7.313 -9.180 51 HD3 LYS 18 HD1 LYS 18 -0.713 6.256 -8.710 52 HE2 LYS 18 HE2 LYS 18 -3.230 5.306 -10.108 53 HE3 LYS 18 HE1 LYS 18 -1.711 5.657 -10.932 54 HZ1 LYS 18 HZ1 LYS 18 -0.637 3.915 -9.855 55 HZ2 LYS 18 HZ2 LYS 18 -2.157 3.264 -10.249 56 HZ3 LYS 18 HZ3 LYS 18 -1.832 3.773 -8.661 57 H GLU 19 HN GLU 19 -3.493 9.051 -4.714 58 HA GLU 19 HA GLU 19 -1.366 9.554 -2.845 59 HB2 GLU 19 HB2 GLU 19 -3.961 11.030 -3.405 60 HB3 GLU 19 HB1 GLU 19 -2.698 11.642 -2.335 61 HG2 GLU 19 HG2 GLU 19 -1.082 11.612 -4.171 62 HG3 GLU 19 HG1 GLU 19 -2.290 10.916 -5.251 63 H LYS 20 HN LYS 20 -4.827 8.855 -2.429 64 HA LYS 20 HA LYS 20 -4.883 9.110 0.423 65 HB2 LYS 20 HB2 LYS 20 -6.629 7.516 -1.485 66 HB3 LYS 20 HB1 LYS 20 -6.958 7.678 0.238 67 HG2 LYS 20 HG2 LYS 20 -7.177 10.082 0.039 68 HG3 LYS 20 HG1 LYS 20 -6.653 10.035 -1.642 69 HD2 LYS 20 HD2 LYS 20 -9.029 10.195 -1.743 70 HD3 LYS 20 HD1 LYS 20 -8.669 8.502 -2.074 71 HE2 LYS 20 HE2 LYS 20 -9.262 7.851 0.163 72 HE3 LYS 20 HE1 LYS 20 -9.336 9.529 0.700 73 HZ1 LYS 20 HZ1 LYS 20 -11.054 9.436 -1.409 74 HZ2 LYS 20 HZ2 LYS 20 -11.490 9.399 0.232 75 HZ3 LYS 20 HZ3 LYS 20 -11.317 7.949 -0.636 76 H VAL 21 HN VAL 21 -4.380 6.328 -1.716 77 HA VAL 21 HA VAL 21 -4.266 4.330 0.321 78 HB VAL 21 HB VAL 21 -3.093 4.464 -2.473 79 HG11 VAL 21 HG11 VAL 21 -1.707 2.880 -1.364 80 HG12 VAL 21 HG12 VAL 21 -2.953 1.908 -2.147 81 HG13 VAL 21 HG13 VAL 21 -3.053 2.246 -0.419 82 HG21 VAL 21 HG21 VAL 21 -4.993 3.199 -3.112 83 HG22 VAL 21 HG22 VAL 21 -5.645 4.385 -1.982 84 HG23 VAL 21 HG23 VAL 21 -5.350 2.730 -1.450 85 H THR 22 HN THR 22 -1.720 6.261 -1.243 86 HA THR 22 HA THR 22 0.507 5.037 0.037 87 HB THR 22 HB THR 22 0.153 7.913 -0.890 88 HG1 THR 22 HG1 THR 22 0.596 7.160 -2.807 89 HG21 THR 22 HG21 THR 22 2.057 7.802 0.576 90 HG22 THR 22 HG22 THR 22 2.675 7.790 -1.078 91 HG23 THR 22 HG23 THR 22 2.597 6.289 -0.155 92 H LEU 23 HN LEU 23 -1.383 7.917 0.939 93 HA LEU 23 HA LEU 23 0.028 8.423 3.373 94 HG LEU 23 HG LEU 23 -2.301 9.383 5.059 95 HB2 LEU 23 HB2 LEU 23 -1.419 10.109 2.244 96 HB3 LEU 23 HB1 LEU 23 -2.838 9.141 2.642 97 HD11 LEU 23 HD11 LEU 23 0.076 10.825 3.906 98 HD12 LEU 23 HD12 LEU 23 -0.006 9.708 5.269 99 HD13 LEU 23 HD13 LEU 23 -0.572 11.361 5.456 100 HD21 LEU 23 HD21 LEU 23 -2.335 12.103 3.742 101 HD22 LEU 23 HD22 LEU 23 -3.072 11.627 5.272 102 HD23 LEU 23 HD23 LEU 23 -3.743 11.040 3.751 103 H TYR 24 HN TYR 24 -2.882 6.578 2.601 104 HA TYR 24 HA TYR 24 -3.699 5.933 5.248 105 HD1 TYR 24 HD1 TYR 24 -3.677 2.222 4.164 106 HD2 TYR 24 HD2 TYR 24 -6.746 5.136 4.903 107 HE1 TYR 24 HE1 TYR 24 -4.875 0.598 5.606 108 HE2 TYR 24 HE2 TYR 24 -7.943 3.513 6.342 109 HH TYR 24 HH TYR 24 -6.721 1.042 7.733 110 HB2 TYR 24 HB2 TYR 24 -5.097 5.535 3.229 111 HB3 TYR 24 HB1 TYR 24 -3.981 4.267 2.717 112 H LEU 25 HN LEU 25 -1.643 4.142 2.966 113 HA LEU 25 HA LEU 25 -1.023 1.968 4.724 114 HG LEU 25 HG LEU 25 -1.828 2.115 2.005 115 HB2 LEU 25 HB2 LEU 25 0.468 3.144 2.354 116 HB3 LEU 25 HB1 LEU 25 0.938 1.649 3.154 117 HD11 LEU 25 HD11 LEU 25 0.520 0.655 0.753 118 HD12 LEU 25 HD12 LEU 25 -0.098 2.220 0.222 119 HD13 LEU 25 HD13 LEU 25 -1.106 0.777 0.079 120 HD21 LEU 25 HD21 LEU 25 -1.581 -0.530 2.012 121 HD22 LEU 25 HD22 LEU 25 -2.034 0.320 3.481 122 HD23 LEU 25 HD23 LEU 25 -0.371 -0.213 3.253 123 H LYS 26 HN LYS 26 0.607 5.030 4.038 124 HA LYS 26 HA LYS 26 2.972 4.604 5.525 125 HB2 LYS 26 HB2 LYS 26 2.580 6.516 3.967 126 HB3 LYS 26 HB1 LYS 26 1.484 7.228 5.154 127 HG2 LYS 26 HG2 LYS 26 3.299 7.356 6.794 128 HG3 LYS 26 HG1 LYS 26 4.401 6.569 5.663 129 HD2 LYS 26 HD2 LYS 26 4.111 8.451 4.081 130 HD3 LYS 26 HD1 LYS 26 3.031 9.242 5.230 131 HE2 LYS 26 HE2 LYS 26 4.848 9.337 6.890 132 HE3 LYS 26 HE1 LYS 26 5.930 8.529 5.757 133 HZ1 LYS 26 HZ1 LYS 26 6.337 10.839 5.589 134 HZ2 LYS 26 HZ2 LYS 26 4.681 11.203 5.470 135 HZ3 LYS 26 HZ3 LYS 26 5.471 10.404 4.196 136 H HIS 27 HN HIS 27 -0.150 5.975 6.587 137 HA HIS 27 HA HIS 27 0.745 6.537 9.265 138 HD1 HIS 27 HD1 HIS 27 -2.804 8.980 9.434 139 HD2 HIS 27 HD2 HIS 27 0.653 8.304 7.202 140 HE1 HIS 27 HE1 HIS 27 -2.012 11.249 8.635 141 HB2 HIS 27 HB2 HIS 27 -2.012 6.225 8.044 142 HB3 HIS 27 HB1 HIS 27 -1.774 6.588 9.752 143 H ASN 28 HN ASN 28 -0.814 3.717 7.777 144 HA ASN 28 HA ASN 28 -1.006 2.318 10.376 145 HB2 ASN 28 HB2 ASN 28 -1.490 1.231 7.577 146 HB3 ASN 28 HB1 ASN 28 -1.998 0.501 9.098 147 HD21 ASN 28 HD21 ASN 28 -4.284 0.633 8.674 148 HD22 ASN 28 HD22 ASN 28 -5.110 2.116 8.583 149 H ILE 29 HN ILE 29 1.365 2.946 8.140 150 HA ILE 29 HA ILE 29 2.979 0.629 9.064 151 HB ILE 29 HB ILE 29 3.001 1.584 6.216 152 HG12 ILE 29 HG12 ILE 29 1.725 -0.889 7.429 153 HG13 ILE 29 HG11 ILE 29 0.835 0.500 6.814 154 HG21 ILE 29 HG21 ILE 29 4.337 -0.440 5.877 155 HG22 ILE 29 HG22 ILE 29 4.168 -0.857 7.582 156 HG23 ILE 29 HG23 ILE 29 5.086 0.574 7.109 157 HD11 ILE 29 HD11 ILE 29 2.584 -1.405 5.245 158 HD12 ILE 29 HD12 ILE 29 1.988 0.120 4.589 159 HD13 ILE 29 HD13 ILE 29 0.850 -1.141 5.063 160 HA PRO 30 HA PRO 30 5.278 4.597 9.649 161 HB2 PRO 30 HB2 PRO 30 6.732 3.756 11.825 162 HB3 PRO 30 HB1 PRO 30 5.078 4.383 11.946 163 HG2 PRO 30 HG2 PRO 30 6.041 1.564 11.986 164 HG3 PRO 30 HG1 PRO 30 4.737 2.324 12.917 165 HD2 PRO 30 HD2 PRO 30 4.325 0.759 10.708 166 HD3 PRO 30 HD1 PRO 30 3.186 2.021 11.230 167 H ASP 31 HN ASP 31 6.301 1.347 9.147 168 HA ASP 31 HA ASP 31 9.134 2.092 8.665 169 HB2 ASP 31 HB2 ASP 31 7.663 -0.565 8.569 170 HB3 ASP 31 HB1 ASP 31 9.383 -0.373 8.227 171 H PHE 32 HN PHE 32 6.421 2.510 6.990 172 HA PHE 32 HA PHE 32 6.709 1.283 4.471 173 HD1 PHE 32 HD1 PHE 32 5.040 1.318 2.682 174 HD2 PHE 32 HD2 PHE 32 5.775 5.498 3.347 175 HE1 PHE 32 HE1 PHE 32 4.771 1.750 0.267 176 HE2 PHE 32 HE2 PHE 32 5.508 5.931 0.921 177 HZ PHE 32 HZ PHE 32 5.012 4.062 -0.624 178 HB2 PHE 32 HB2 PHE 32 4.724 2.567 5.011 179 HB3 PHE 32 HB1 PHE 32 5.666 4.044 5.186 180 H ASN 33 HN ASN 33 7.544 2.160 2.480 181 HA ASN 33 HA ASN 33 9.660 4.236 2.712 182 HB2 ASN 33 HB2 ASN 33 10.625 1.880 3.090 183 HB3 ASN 33 HB1 ASN 33 10.237 1.570 1.397 184 HD21 ASN 33 HD21 ASN 33 12.402 1.561 0.577 185 HD22 ASN 33 HD22 ASN 33 13.407 2.928 0.615 186 H THR 34 HN THR 34 8.183 1.853 0.477 187 HA THR 34 HA THR 34 7.542 4.049 -1.403 188 HB THR 34 HB THR 34 9.754 3.437 -2.149 189 HG1 THR 34 HG1 THR 34 8.983 3.469 -4.077 190 HG21 THR 34 HG21 THR 34 10.201 1.042 -2.832 191 HG22 THR 34 HG22 THR 34 8.713 0.597 -1.997 192 HG23 THR 34 HG23 THR 34 10.056 1.296 -1.093 193 H VAL 35 HN VAL 35 5.954 3.491 -2.903 194 HA VAL 35 HA VAL 35 4.599 0.846 -2.495 195 HB VAL 35 HB VAL 35 3.349 2.600 -1.305 196 HG11 VAL 35 HG11 VAL 35 2.530 4.567 -2.363 197 HG12 VAL 35 HG12 VAL 35 2.989 3.987 -3.963 198 HG13 VAL 35 HG13 VAL 35 4.233 4.470 -2.810 199 HG21 VAL 35 HG21 VAL 35 1.921 1.949 -3.883 200 HG22 VAL 35 HG22 VAL 35 1.212 2.191 -2.286 201 HG23 VAL 35 HG23 VAL 35 2.191 0.762 -2.608 202 H THR 36 HN THR 36 3.957 -0.156 -4.311 203 HA THR 36 HA THR 36 4.308 1.287 -6.925 204 HB THR 36 HB THR 36 4.669 -1.674 -6.352 205 HG1 THR 36 HG1 THR 36 6.522 0.411 -6.872 206 HG21 THR 36 HG21 THR 36 5.762 -1.437 -8.703 207 HG22 THR 36 HG22 THR 36 4.829 0.050 -8.825 208 HG23 THR 36 HG23 THR 36 4.003 -1.494 -8.603 209 H PHE 37 HN PHE 37 2.374 1.757 -7.683 210 HA PHE 37 HA PHE 37 -0.020 0.231 -6.999 211 HD1 PHE 37 HD2 PHE 37 -2.183 1.767 -6.339 212 HD2 PHE 37 HD1 PHE 37 1.403 4.023 -7.049 213 HE1 PHE 37 HE2 PHE 37 -2.538 2.998 -4.218 214 HE2 PHE 37 HE1 PHE 37 1.047 5.255 -4.925 215 HZ PHE 37 HZ PHE 37 -0.924 4.742 -3.510 216 HB2 PHE 37 HB2 PHE 37 0.490 2.632 -8.775 217 HB3 PHE 37 HB1 PHE 37 -1.102 1.892 -8.604 218 H THR 38 HN THR 38 -1.253 -1.009 -8.385 219 HA THR 38 HA THR 38 -0.449 -1.426 -11.168 220 HB THR 38 HB THR 38 -0.182 -3.918 -10.798 221 HG1 THR 38 HG1 THR 38 -0.950 -4.305 -8.820 222 HG21 THR 38 HG21 THR 38 2.126 -3.730 -10.317 223 HG22 THR 38 HG22 THR 38 1.879 -2.344 -9.258 224 HG23 THR 38 HG23 THR 38 1.707 -2.165 -11.004 225 H ASN 39 HN ASN 39 -2.417 -1.124 -11.985 226 HA ASN 39 HA ASN 39 -4.936 -1.547 -10.862 227 HB2 ASN 39 HB2 ASN 39 -4.111 -1.830 -13.777 228 HB3 ASN 39 HB1 ASN 39 -5.780 -1.721 -13.221 229 HD21 ASN 39 HD21 ASN 39 -4.635 0.209 -11.008 230 HD22 ASN 39 HD22 ASN 39 -4.545 1.695 -11.823 231 H GLU 40 HN GLU 40 -4.779 -3.530 -13.612 232 HA GLU 40 HA GLU 40 -5.282 -5.779 -13.946 233 HB2 GLU 40 HB2 GLU 40 -2.978 -6.016 -13.083 234 HB3 GLU 40 HB1 GLU 40 -3.615 -6.126 -11.442 235 HG2 GLU 40 HG2 GLU 40 -4.896 -8.135 -12.057 236 HG3 GLU 40 HG1 GLU 40 -4.306 -8.014 -13.715 237 H GLU 41 HN GLU 41 -7.308 -6.389 -13.666 238 HA GLU 41 HA GLU 41 -9.160 -7.361 -12.629 239 HB2 GLU 41 HB2 GLU 41 -7.262 -8.177 -10.964 240 HB3 GLU 41 HB1 GLU 41 -7.992 -6.997 -9.878 241 HG2 GLU 41 HG2 GLU 41 -9.492 -9.232 -11.284 242 HG3 GLU 41 HG1 GLU 41 -8.987 -9.255 -9.596 243 H PHE 42 HN PHE 42 -11.048 -6.487 -11.929 244 HA PHE 42 HA PHE 42 -10.961 -3.817 -10.591 245 HD1 PHE 42 HD1 PHE 42 -11.056 -1.338 -11.998 246 HD2 PHE 42 HD2 PHE 42 -10.587 -4.822 -14.464 247 HE1 PHE 42 HE1 PHE 42 -9.201 -0.229 -13.205 248 HE2 PHE 42 HE2 PHE 42 -8.727 -3.711 -15.675 249 HZ PHE 42 HZ PHE 42 -8.035 -1.414 -15.044 250 HB2 PHE 42 HB2 PHE 42 -12.550 -4.546 -13.063 251 HB3 PHE 42 HB1 PHE 42 -12.798 -3.080 -12.114 252 H ASN 43 HN ASN 43 -12.800 -3.306 -9.390 253 HA ASN 43 HA ASN 43 -14.101 -5.557 -8.157 254 HB2 ASN 43 HB2 ASN 43 -14.040 -2.596 -7.799 255 HB3 ASN 43 HB1 ASN 43 -15.510 -3.379 -7.226 256 HD21 ASN 43 HD21 ASN 43 -12.489 -5.184 -7.199 257 HD22 ASN 43 HD22 ASN 43 -12.270 -5.158 -5.516 258 HA PRO 44 HA PRO 44 -17.807 -6.379 -10.353 259 HB2 PRO 44 HB2 PRO 44 -19.240 -5.100 -8.027 260 HB3 PRO 44 HB1 PRO 44 -19.599 -6.623 -8.868 261 HG2 PRO 44 HG2 PRO 44 -18.309 -6.564 -6.509 262 HG3 PRO 44 HG1 PRO 44 -17.964 -7.784 -7.746 263 HD2 PRO 44 HD2 PRO 44 -16.269 -5.538 -6.847 264 HD3 PRO 44 HD1 PRO 44 -15.819 -6.993 -7.764 265 H ILE 45 HN ILE 45 -18.596 -3.418 -8.533 266 HA ILE 45 HA ILE 45 -19.387 -2.107 -11.115 267 HB ILE 45 HB ILE 45 -20.161 -1.283 -8.295 268 HG12 ILE 45 HG12 ILE 45 -21.004 -3.540 -8.651 269 HG13 ILE 45 HG11 ILE 45 -22.348 -2.414 -8.838 270 HG21 ILE 45 HG21 ILE 45 -21.960 -0.089 -9.502 271 HG22 ILE 45 HG22 ILE 45 -21.326 -0.690 -11.033 272 HG23 ILE 45 HG23 ILE 45 -20.370 0.433 -10.064 273 HD11 ILE 45 HD11 ILE 45 -21.706 -2.456 -11.381 274 HD12 ILE 45 HD12 ILE 45 -22.590 -3.819 -10.707 275 HD13 ILE 45 HD13 ILE 45 -20.851 -3.938 -10.960 276 H GLY 46 HN GLY 46 -17.320 -1.909 -8.310 277 HA2 GLY 46 HA2 GLY 46 -16.406 0.824 -9.023 278 HA3 GLY 46 HA1 GLY 46 -15.954 -0.077 -7.577 279 H ILE 47 HN ILE 47 -13.763 0.558 -8.152 280 HA ILE 47 HA ILE 47 -12.565 -1.219 -10.254 281 HB ILE 47 HB ILE 47 -10.782 0.478 -10.480 282 HG12 ILE 47 HG12 ILE 47 -12.546 2.210 -8.713 283 HG13 ILE 47 HG11 ILE 47 -11.048 1.453 -8.173 284 HG21 ILE 47 HG21 ILE 47 -13.509 1.743 -10.833 285 HG22 ILE 47 HG22 ILE 47 -12.887 0.475 -11.890 286 HG23 ILE 47 HG23 ILE 47 -12.058 2.029 -11.793 287 HD11 ILE 47 HD11 ILE 47 -11.326 3.471 -10.419 288 HD12 ILE 47 HD12 ILE 47 -9.827 2.646 -9.991 289 HD13 ILE 47 HD13 ILE 47 -10.585 3.751 -8.843 290 H SER 48 HN SER 48 -10.714 -2.296 -9.734 291 HA SER 48 HA SER 48 -10.008 -2.379 -6.820 292 HG SER 48 HG SER 48 -9.269 -4.186 -6.122 293 HB2 SER 48 HB2 SER 48 -10.995 -4.458 -7.911 294 HB3 SER 48 HB1 SER 48 -9.524 -4.551 -8.872 295 H ILE 49 HN ILE 49 -8.033 -1.776 -6.281 296 HA ILE 49 HA ILE 49 -5.941 -1.518 -8.421 297 HB ILE 49 HB ILE 49 -6.340 0.101 -5.887 298 HG12 ILE 49 HG12 ILE 49 -6.405 0.951 -8.797 299 HG13 ILE 49 HG11 ILE 49 -7.853 0.560 -7.870 300 HG21 ILE 49 HG21 ILE 49 -3.989 -0.095 -6.206 301 HG22 ILE 49 HG22 ILE 49 -4.419 1.440 -6.958 302 HG23 ILE 49 HG23 ILE 49 -4.139 0.017 -7.960 303 HD11 ILE 49 HD11 ILE 49 -5.837 2.647 -7.003 304 HD12 ILE 49 HD12 ILE 49 -7.433 2.350 -6.313 305 HD13 ILE 49 HD13 ILE 49 -7.285 3.025 -7.936 306 H ASP 50 HN ASP 50 -4.228 -2.740 -8.197 307 HA ASP 50 HA ASP 50 -3.655 -4.029 -5.548 308 HB2 ASP 50 HB2 ASP 50 -4.315 -5.540 -7.469 309 HB3 ASP 50 HB1 ASP 50 -2.847 -5.016 -8.301 310 H GLY 51 HN GLY 51 -1.466 -4.253 -4.965 311 HA2 GLY 51 HA2 GLY 51 0.761 -3.265 -6.447 312 HA3 GLY 51 HA1 GLY 51 0.172 -1.971 -5.403 313 H TYR 52 HN TYR 52 2.512 -2.474 -4.664 314 HA TYR 52 HA TYR 52 2.310 -4.054 -2.172 315 HD1 TYR 52 HD2 TYR 52 2.626 -4.966 -5.887 316 HD2 TYR 52 HD1 TYR 52 6.375 -4.126 -3.967 317 HE1 TYR 52 HE2 TYR 52 3.641 -4.462 -8.092 318 HE2 TYR 52 HE1 TYR 52 7.388 -3.625 -6.174 319 HH TYR 52 HH TYR 52 6.002 -4.488 -9.075 320 HB2 TYR 52 HB2 TYR 52 4.594 -5.096 -2.724 321 HB3 TYR 52 HB1 TYR 52 3.187 -5.773 -3.539 322 H ILE 53 HN ILE 53 4.247 -3.726 -0.796 323 HA ILE 53 HA ILE 53 5.418 -0.990 -1.211 324 HB ILE 53 HB ILE 53 5.451 -0.792 1.250 325 HG12 ILE 53 HG12 ILE 53 3.903 -3.407 1.229 326 HG13 ILE 53 HG11 ILE 53 5.587 -3.256 1.726 327 HG21 ILE 53 HG21 ILE 53 3.149 -0.304 1.498 328 HG22 ILE 53 HG22 ILE 53 2.667 -1.599 0.402 329 HG23 ILE 53 HG23 ILE 53 3.444 -0.148 -0.233 330 HD11 ILE 53 HD11 ILE 53 4.243 -3.182 3.723 331 HD12 ILE 53 HD12 ILE 53 3.180 -1.960 3.025 332 HD13 ILE 53 HD13 ILE 53 4.847 -1.551 3.432 333 H ASN 54 HN ASN 54 7.497 -0.636 -0.286 334 HA ASN 54 HA ASN 54 9.756 -1.133 -0.043 335 HB2 ASN 54 HB2 ASN 54 8.491 -3.495 1.343 336 HB3 ASN 54 HB1 ASN 54 10.230 -3.222 1.320 337 HD21 ASN 54 HD21 ASN 54 7.230 -2.229 2.795 338 HD22 ASN 54 HD22 ASN 54 7.885 -1.027 3.798 339 H ASN 55 HN ASN 55 8.531 -1.836 -2.505 340 HA ASN 55 HA ASN 55 8.810 -3.142 -4.419 341 HB2 ASN 55 HB2 ASN 55 11.165 -3.592 -4.969 342 HB3 ASN 55 HB1 ASN 55 10.954 -1.972 -4.313 343 HD21 ASN 55 HD21 ASN 55 12.691 -1.496 -2.974 344 HD22 ASN 55 HD22 ASN 55 13.409 -2.577 -1.879 345 H ASP 56 HN ASP 56 8.123 -4.582 -1.862 346 HA ASP 56 HA ASP 56 9.230 -7.292 -2.510 347 HB2 ASP 56 HB2 ASP 56 7.945 -6.161 -0.014 348 HB3 ASP 56 HB1 ASP 56 8.247 -7.883 -0.245 349 H LYS 57 HN LYS 57 7.966 -8.401 -3.815 350 HA LYS 57 HA LYS 57 5.247 -7.857 -4.433 351 HB2 LYS 57 HB2 LYS 57 6.898 -10.388 -4.732 352 HB3 LYS 57 HB1 LYS 57 5.275 -10.200 -5.398 353 HG2 LYS 57 HG2 LYS 57 6.034 -8.243 -6.698 354 HG3 LYS 57 HG1 LYS 57 7.659 -8.437 -6.040 355 HD2 LYS 57 HD2 LYS 57 7.805 -10.685 -7.051 356 HD3 LYS 57 HD1 LYS 57 6.181 -10.494 -7.711 357 HE2 LYS 57 HE2 LYS 57 6.929 -8.552 -9.027 358 HE3 LYS 57 HE1 LYS 57 8.552 -8.715 -8.356 359 HZ1 LYS 57 HZ1 LYS 57 8.673 -9.830 -10.368 360 HZ2 LYS 57 HZ2 LYS 57 7.128 -10.517 -10.209 361 HZ3 LYS 57 HZ3 LYS 57 8.416 -11.088 -9.261 362 H ASN 58 HN ASN 58 6.723 -9.843 -1.945 363 HA ASN 58 HA ASN 58 4.452 -11.409 -1.222 364 HB2 ASN 58 HB2 ASN 58 6.804 -10.414 0.422 365 HB3 ASN 58 HB1 ASN 58 5.600 -11.544 1.038 366 HD21 ASN 58 HD21 ASN 58 8.575 -11.384 -0.589 367 HD22 ASN 58 HD22 ASN 58 8.590 -12.955 -1.230 368 H LEU 59 HN LEU 59 5.516 -8.171 -0.243 369 HA LEU 59 HA LEU 59 3.284 -7.863 1.652 370 HG LEU 59 HG LEU 59 6.548 -7.506 1.496 371 HB2 LEU 59 HB2 LEU 59 5.166 -5.718 0.611 372 HB3 LEU 59 HB1 LEU 59 4.206 -5.675 2.089 373 HD11 LEU 59 HD11 LEU 59 7.477 -6.361 3.532 374 HD12 LEU 59 HD12 LEU 59 6.087 -5.277 3.498 375 HD13 LEU 59 HD13 LEU 59 7.235 -5.280 2.160 376 HD21 LEU 59 HD21 LEU 59 6.098 -8.146 3.985 377 HD22 LEU 59 HD22 LEU 59 5.089 -8.874 2.738 378 HD23 LEU 59 HD23 LEU 59 4.474 -7.524 3.691 379 H SER 60 HN SER 60 1.928 -8.485 -0.395 380 HA SER 60 HA SER 60 1.355 -6.202 -2.173 381 HG SER 60 HG SER 60 0.035 -9.661 -1.464 382 HB2 SER 60 HB2 SER 60 0.101 -7.710 -3.462 383 HB3 SER 60 HB1 SER 60 1.407 -8.708 -2.836 384 H PHE 61 HN PHE 61 -0.824 -5.463 -2.479 385 HA PHE 61 HA PHE 61 -2.769 -5.871 -0.311 386 HD1 PHE 61 HD2 PHE 61 -3.485 -2.063 -1.650 387 HD2 PHE 61 HD1 PHE 61 0.559 -3.263 -0.832 388 HE1 PHE 61 HE2 PHE 61 -2.650 -0.284 -3.163 389 HE2 PHE 61 HE1 PHE 61 1.392 -1.482 -2.344 390 HZ PHE 61 HZ PHE 61 -0.211 0.008 -3.510 391 HB2 PHE 61 HB2 PHE 61 -2.926 -3.515 0.279 392 HB3 PHE 61 HB1 PHE 61 -1.275 -4.065 0.540 393 H THR 62 HN THR 62 -4.855 -5.169 -0.880 394 HA THR 62 HA THR 62 -5.213 -4.158 -3.673 395 HB THR 62 HB THR 62 -6.742 -6.464 -2.441 396 HG1 THR 62 HG1 THR 62 -4.526 -6.846 -3.137 397 HG21 THR 62 HG21 THR 62 -8.122 -5.153 -3.947 398 HG22 THR 62 HG22 THR 62 -7.657 -6.646 -4.762 399 HG23 THR 62 HG23 THR 62 -6.840 -5.133 -5.156 400 H ALA 63 HN ALA 63 -6.708 -2.632 -3.854 401 HA ALA 63 HA ALA 63 -8.576 -2.130 -1.554 402 HB1 ALA 63 HB1 ALA 63 -8.315 0.242 -1.926 403 HB2 ALA 63 HB2 ALA 63 -7.307 -0.041 -3.346 404 HB3 ALA 63 HB3 ALA 63 -6.709 -0.458 -1.738 405 H GLY 64 HN GLY 64 -10.654 -1.871 -2.063 406 HA2 GLY 64 HA2 GLY 64 -11.445 -2.116 -4.935 407 HA3 GLY 64 HA1 GLY 64 -12.466 -2.498 -3.548 408 H LYS 65 HN LYS 65 -11.154 0.058 -5.505 409 HA LYS 65 HA LYS 65 -11.804 2.261 -5.872 410 HB2 LYS 65 HB2 LYS 65 -13.971 1.130 -6.347 411 HB3 LYS 65 HB1 LYS 65 -14.418 1.325 -4.653 412 HG2 LYS 65 HG2 LYS 65 -14.247 3.764 -4.860 413 HG3 LYS 65 HG1 LYS 65 -13.734 3.596 -6.539 414 HD2 LYS 65 HD2 LYS 65 -15.885 2.516 -7.092 415 HD3 LYS 65 HD1 LYS 65 -16.406 2.697 -5.417 416 HE2 LYS 65 HE2 LYS 65 -15.613 5.013 -7.209 417 HE3 LYS 65 HE1 LYS 65 -17.278 4.499 -6.936 418 HZ1 LYS 65 HZ1 LYS 65 -15.986 6.301 -5.430 419 HZ2 LYS 65 HZ2 LYS 65 -15.715 4.883 -4.534 420 HZ3 LYS 65 HZ3 LYS 65 -17.302 5.376 -4.891 421 H ASP 66 HN ASP 66 -13.638 1.563 -2.896 422 HA ASP 66 HA ASP 66 -12.536 4.017 -1.672 423 HB2 ASP 66 HB2 ASP 66 -14.699 2.065 -0.850 424 HB3 ASP 66 HB1 ASP 66 -14.146 3.368 0.203 425 H VAL 67 HN VAL 67 -10.959 4.039 -0.227 426 HA VAL 67 HA VAL 67 -9.380 1.741 0.374 427 HB VAL 67 HB VAL 67 -9.486 4.382 1.885 428 HG11 VAL 67 HG11 VAL 67 -7.564 2.056 1.806 429 HG12 VAL 67 HG12 VAL 67 -8.191 2.933 3.201 430 HG13 VAL 67 HG13 VAL 67 -6.971 3.676 2.170 431 HG21 VAL 67 HG21 VAL 67 -7.515 4.927 0.372 432 HG22 VAL 67 HG22 VAL 67 -9.076 4.863 -0.447 433 HG23 VAL 67 HG23 VAL 67 -7.952 3.510 -0.583 434 H LYS 68 HN LYS 68 -12.388 2.469 1.445 435 HA LYS 68 HA LYS 68 -12.321 1.941 4.254 436 HB2 LYS 68 HB2 LYS 68 -14.290 2.868 3.015 437 HB3 LYS 68 HB1 LYS 68 -14.534 1.285 2.276 438 HG2 LYS 68 HG2 LYS 68 -14.866 0.273 4.475 439 HG3 LYS 68 HG1 LYS 68 -14.529 1.816 5.260 440 HD2 LYS 68 HD2 LYS 68 -16.483 2.817 4.116 441 HD3 LYS 68 HD1 LYS 68 -16.833 1.259 3.368 442 HE2 LYS 68 HE2 LYS 68 -16.692 1.707 6.362 443 HE3 LYS 68 HE1 LYS 68 -18.191 1.700 5.434 444 HZ1 LYS 68 HZ1 LYS 68 -17.722 -0.464 6.420 445 HZ2 LYS 68 HZ2 LYS 68 -16.250 -0.542 5.575 446 HZ3 LYS 68 HZ3 LYS 68 -17.721 -0.547 4.725 447 H ILE 69 HN ILE 69 -12.654 -0.163 1.422 448 HA ILE 69 HA ILE 69 -12.210 -2.553 3.204 449 HB ILE 69 HB ILE 69 -13.711 -2.353 0.569 450 HG12 ILE 69 HG12 ILE 69 -14.709 -3.104 3.333 451 HG13 ILE 69 HG11 ILE 69 -14.834 -1.475 2.668 452 HG21 ILE 69 HG21 ILE 69 -12.990 -4.698 2.344 453 HG22 ILE 69 HG22 ILE 69 -12.612 -4.486 0.635 454 HG23 ILE 69 HG23 ILE 69 -14.276 -4.770 1.141 455 HD11 ILE 69 HD11 ILE 69 -16.173 -2.298 0.799 456 HD12 ILE 69 HD12 ILE 69 -16.912 -2.810 2.316 457 HD13 ILE 69 HD13 ILE 69 -15.978 -3.959 1.358 458 H PHE 70 HN PHE 70 -10.144 -3.095 3.024 459 HA PHE 70 HA PHE 70 -8.974 -3.430 0.311 460 HD1 PHE 70 HD1 PHE 70 -9.170 -0.790 3.472 461 HD2 PHE 70 HD2 PHE 70 -5.637 -3.156 2.867 462 HE1 PHE 70 HE1 PHE 70 -8.583 -0.527 5.869 463 HE2 PHE 70 HE2 PHE 70 -5.051 -2.895 5.264 464 HZ PHE 70 HZ PHE 70 -6.524 -1.581 6.765 465 HB2 PHE 70 HB2 PHE 70 -6.896 -2.354 0.987 466 HB3 PHE 70 HB1 PHE 70 -8.236 -1.226 1.192 467 H SER 71 HN SER 71 -8.080 -5.349 0.114 468 HA SER 71 HA SER 71 -7.749 -7.100 2.450 469 HG SER 71 HG SER 71 -5.803 -7.957 -0.177 470 HB2 SER 71 HB2 SER 71 -7.634 -8.862 0.917 471 HB3 SER 71 HB1 SER 71 -8.628 -7.707 0.036 472 H SER 72 HN SER 72 -5.692 -8.413 2.556 473 HA SER 72 HA SER 72 -3.256 -7.055 1.604 474 HG SER 72 HG SER 72 -4.909 -6.730 4.964 475 HB2 SER 72 HB2 SER 72 -2.371 -6.967 3.983 476 HB3 SER 72 HB1 SER 72 -3.615 -5.785 3.593 477 H SER 73 HN SER 73 -1.362 -8.294 1.911 478 HA SER 73 HA SER 73 -1.799 -11.164 1.733 479 HG SER 73 HG SER 73 0.275 -8.448 1.971 480 HB2 SER 73 HB2 SER 73 0.729 -11.201 1.560 481 HB3 SER 73 HB1 SER 73 -0.079 -10.201 0.358 482 H GLU 74 HN GLU 74 -0.473 -12.686 3.028 483 HA GLU 74 HA GLU 74 -1.087 -12.506 5.803 484 HB2 GLU 74 HB2 GLU 74 0.943 -14.248 4.355 485 HB3 GLU 74 HB1 GLU 74 0.401 -14.504 6.014 486 HG2 GLU 74 HG2 GLU 74 -1.436 -14.458 3.601 487 HG3 GLU 74 HG1 GLU 74 -0.824 -15.927 4.362 488 H GLU 75 HN GLU 75 1.965 -12.005 4.052 489 HA GLU 75 HA GLU 75 3.544 -11.444 6.401 490 HB2 GLU 75 HB2 GLU 75 3.932 -10.759 3.465 491 HB3 GLU 75 HB1 GLU 75 5.137 -10.425 4.706 492 HG2 GLU 75 HG2 GLU 75 5.840 -12.510 3.912 493 HG3 GLU 75 HG1 GLU 75 4.860 -12.978 5.294 494 H LEU 76 HN LEU 76 1.760 -9.432 4.109 495 HA LEU 76 HA LEU 76 2.642 -6.896 5.044 496 HG LEU 76 HG LEU 76 -0.257 -5.543 4.842 497 HB2 LEU 76 HB2 LEU 76 1.460 -7.139 2.915 498 HB3 LEU 76 HB1 LEU 76 0.015 -7.707 3.748 499 HD11 LEU 76 HD11 LEU 76 1.897 -4.714 5.260 500 HD12 LEU 76 HD12 LEU 76 1.361 -3.673 3.946 501 HD13 LEU 76 HD13 LEU 76 2.447 -5.022 3.613 502 HD21 LEU 76 HD21 LEU 76 0.374 -4.942 1.948 503 HD22 LEU 76 HD22 LEU 76 -0.922 -4.283 2.947 504 HD23 LEU 76 HD23 LEU 76 -0.998 -5.956 2.397 505 H ASP 77 HN ASP 77 0.099 -9.064 6.129 506 HA ASP 77 HA ASP 77 -1.268 -7.294 7.898 507 HB2 ASP 77 HB2 ASP 77 -2.002 -9.625 7.161 508 HB3 ASP 77 HB1 ASP 77 -0.851 -10.272 8.332 509 H LYS 78 HN LYS 78 1.659 -9.208 8.220 510 HA LYS 78 HA LYS 78 1.977 -8.833 11.081 511 HB2 LYS 78 HB2 LYS 78 4.106 -9.475 9.009 512 HB3 LYS 78 HB1 LYS 78 4.194 -9.772 10.744 513 HG2 LYS 78 HG2 LYS 78 2.144 -11.023 8.897 514 HG3 LYS 78 HG1 LYS 78 3.613 -11.827 9.448 515 HD2 LYS 78 HD2 LYS 78 2.777 -11.282 11.841 516 HD3 LYS 78 HD1 LYS 78 1.218 -10.970 11.075 517 HE2 LYS 78 HE2 LYS 78 1.183 -13.221 10.136 518 HE3 LYS 78 HE1 LYS 78 2.775 -13.550 10.820 519 HZ1 LYS 78 HZ1 LYS 78 0.833 -14.370 12.152 520 HZ2 LYS 78 HZ2 LYS 78 0.450 -12.746 12.472 521 HZ3 LYS 78 HZ3 LYS 78 1.929 -13.392 13.000 522 H MET 79 HN MET 79 3.177 -7.168 8.189 523 HA MET 79 HA MET 79 5.010 -5.436 9.561 524 HB2 MET 79 HB2 MET 79 3.553 -5.189 6.913 525 HB3 MET 79 HB1 MET 79 4.694 -3.971 7.475 526 HG2 MET 79 HG2 MET 79 5.368 -6.911 7.199 527 HG3 MET 79 HG1 MET 79 5.730 -5.703 5.969 528 HE1 MET 79 HE1 MET 79 6.804 -3.037 7.919 529 HE2 MET 79 HE2 MET 79 6.813 -3.684 6.281 530 HE3 MET 79 HE3 MET 79 8.329 -3.506 7.158 531 H PHE 80 HN PHE 80 1.882 -4.509 8.115 532 HA PHE 80 HA PHE 80 1.723 -2.019 9.463 533 HD1 PHE 80 HD2 PHE 80 -0.241 -5.456 8.984 534 HD2 PHE 80 HD1 PHE 80 -2.449 -1.790 9.117 535 HE1 PHE 80 HE2 PHE 80 -2.205 -6.677 9.911 536 HE2 PHE 80 HE1 PHE 80 -4.404 -2.997 10.033 537 HZ PHE 80 HZ PHE 80 -4.286 -5.439 10.427 538 HB2 PHE 80 HB2 PHE 80 -0.256 -1.770 8.320 539 HB3 PHE 80 HB1 PHE 80 0.263 -3.236 7.495 540 H GLN 81 HN GLN 81 0.559 -1.347 11.256 541 HA GLN 81 HA GLN 81 0.461 -3.297 13.437 542 HB2 GLN 81 HB2 GLN 81 -0.195 -0.338 13.285 543 HB3 GLN 81 HB1 GLN 81 -0.286 -1.286 14.771 544 HG2 GLN 81 HG2 GLN 81 2.086 -1.869 14.575 545 HG3 GLN 81 HG1 GLN 81 2.195 -0.987 13.052 546 HE21 GLN 81 HE21 GLN 81 2.744 -0.672 16.361 547 HE22 GLN 81 HE22 GLN 81 2.709 1.021 16.473 548 H GLU 82 HN GLU 82 -1.976 -0.929 13.641 549 HA GLU 82 HA GLU 82 -4.053 -3.043 13.410 550 HB2 GLU 82 HB2 GLU 82 -3.962 -0.408 14.889 551 HB3 GLU 82 HB1 GLU 82 -5.456 -1.324 14.684 552 HG2 GLU 82 HG2 GLU 82 -4.541 -3.227 15.847 553 HG3 GLU 82 HG1 GLU 82 -2.933 -2.505 15.874 554 HA PRO 83 HA PRO 83 -5.647 -1.028 9.788 555 HB2 PRO 83 HB2 PRO 83 -8.260 -1.880 9.865 556 HB3 PRO 83 HB1 PRO 83 -6.907 -2.929 9.398 557 HG2 PRO 83 HG2 PRO 83 -8.352 -2.752 12.004 558 HG3 PRO 83 HG1 PRO 83 -7.730 -4.177 11.151 559 HD2 PRO 83 HD2 PRO 83 -6.429 -3.015 13.275 560 HD3 PRO 83 HD1 PRO 83 -5.596 -3.918 11.986 561 H ARG 84 HN ARG 84 -6.718 0.819 9.204 562 HA ARG 84 HA ARG 84 -7.665 2.543 11.381 563 HE ARG 84 HE ARG 84 -4.148 5.967 11.148 564 HB2 ARG 84 HB2 ARG 84 -7.096 2.993 8.455 565 HB3 ARG 84 HB1 ARG 84 -7.817 4.238 9.469 566 HG2 ARG 84 HG2 ARG 84 -5.293 2.849 10.365 567 HG3 ARG 84 HG1 ARG 84 -5.205 4.164 9.196 568 HD2 ARG 84 HD2 ARG 84 -6.475 5.613 10.776 569 HD3 ARG 84 HD1 ARG 84 -6.452 4.317 11.963 570 HH11 ARG 84 HH21 ARG 84 -5.396 3.203 12.834 571 HH12 ARG 84 HH22 ARG 84 -4.004 3.049 13.851 572 HH21 ARG 84 HH11 ARG 84 -2.348 5.762 12.470 573 HH22 ARG 84 HH12 ARG 84 -2.284 4.491 13.644 574 H LYS 85 HN LYS 85 -9.597 3.876 11.011 575 HA LYS 85 HA LYS 85 -11.869 2.124 10.335 576 HB2 LYS 85 HB2 LYS 85 -11.673 4.874 11.587 577 HB3 LYS 85 HB1 LYS 85 -13.203 4.068 11.266 578 HG2 LYS 85 HG2 LYS 85 -12.488 2.172 12.677 579 HG3 LYS 85 HG1 LYS 85 -10.957 2.987 12.995 580 HD2 LYS 85 HD2 LYS 85 -12.152 4.859 14.053 581 HD3 LYS 85 HD1 LYS 85 -13.697 4.081 13.707 582 HE2 LYS 85 HE2 LYS 85 -13.054 2.159 15.110 583 HE3 LYS 85 HE1 LYS 85 -11.500 2.920 15.449 584 HZ1 LYS 85 HZ1 LYS 85 -12.854 4.858 16.307 585 HZ2 LYS 85 HZ2 LYS 85 -12.866 3.449 17.257 586 HZ3 LYS 85 HZ3 LYS 85 -14.197 3.822 16.269 587 H GLY 86 HN GLY 86 -9.951 4.316 8.699 588 HA2 GLY 86 HA2 GLY 86 -11.016 4.239 6.233 589 HA3 GLY 86 HA1 GLY 86 -12.101 5.408 6.984 590 H TYR 87 HN TYR 87 -10.856 6.401 4.952 591 HA TYR 87 HA TYR 87 -8.205 7.428 5.268 592 HD1 TYR 87 HD2 TYR 87 -6.864 7.840 3.385 593 HD2 TYR 87 HD1 TYR 87 -9.922 10.850 3.185 594 HE1 TYR 87 HE2 TYR 87 -5.172 9.514 2.696 595 HE2 TYR 87 HE1 TYR 87 -8.234 12.519 2.490 596 HH TYR 87 HH TYR 87 -5.765 12.838 2.712 597 HB2 TYR 87 HB2 TYR 87 -9.473 7.352 3.105 598 HB3 TYR 87 HB1 TYR 87 -10.515 8.643 3.707 599 H ASP 88 HN ASP 88 -11.386 8.652 6.204 600 HA ASP 88 HA ASP 88 -10.474 11.261 7.061 601 HB2 ASP 88 HB2 ASP 88 -12.961 9.636 7.696 602 HB3 ASP 88 HB1 ASP 88 -12.696 11.268 8.313 603 H GLU 89 HN GLU 89 -10.398 8.099 8.439 604 HA GLU 89 HA GLU 89 -10.279 8.863 11.230 605 HB2 GLU 89 HB2 GLU 89 -10.835 6.565 10.332 606 HB3 GLU 89 HB1 GLU 89 -9.132 6.369 9.936 607 HG2 GLU 89 HG2 GLU 89 -9.423 5.363 12.091 608 HG3 GLU 89 HG1 GLU 89 -8.619 6.906 12.370 609 H ILE 90 HN ILE 90 -7.803 7.943 8.823 610 HA ILE 90 HA ILE 90 -5.550 8.314 10.543 611 HB ILE 90 HB ILE 90 -4.286 8.618 8.348 612 HG12 ILE 90 HG12 ILE 90 -7.000 8.017 7.156 613 HG13 ILE 90 HG11 ILE 90 -6.236 9.600 7.107 614 HG21 ILE 90 HG21 ILE 90 -4.560 6.282 7.725 615 HG22 ILE 90 HG22 ILE 90 -6.128 6.221 8.530 616 HG23 ILE 90 HG23 ILE 90 -4.657 6.430 9.479 617 HD11 ILE 90 HD11 ILE 90 -5.406 8.880 5.118 618 HD12 ILE 90 HD12 ILE 90 -5.647 7.183 5.519 619 HD13 ILE 90 HD13 ILE 90 -4.219 8.034 6.107 620 H LEU 91 HN LEU 91 -7.232 10.573 8.375 621 HA LEU 91 HA LEU 91 -5.414 12.763 8.769 622 HG LEU 91 HG LEU 91 -6.082 12.094 6.454 623 HB2 LEU 91 HB2 LEU 91 -8.287 12.527 7.866 624 HB3 LEU 91 HB1 LEU 91 -7.577 14.121 8.117 625 HD11 LEU 91 HD11 LEU 91 -7.258 13.255 4.462 626 HD12 LEU 91 HD12 LEU 91 -8.506 13.694 5.626 627 HD13 LEU 91 HD13 LEU 91 -8.147 11.995 5.315 628 HD21 LEU 91 HD21 LEU 91 -5.211 14.416 7.233 629 HD22 LEU 91 HD22 LEU 91 -6.351 15.083 6.072 630 HD23 LEU 91 HD23 LEU 91 -5.054 14.022 5.524 631 H GLU 92 HN GLU 92 -8.350 11.748 10.469 632 HA GLU 92 HA GLU 92 -8.506 14.019 12.219 633 HB2 GLU 92 HB2 GLU 92 -10.369 12.370 11.776 634 HB3 GLU 92 HB1 GLU 92 -9.500 11.203 12.774 635 HG2 GLU 92 HG2 GLU 92 -10.170 13.961 13.817 636 HG3 GLU 92 HG1 GLU 92 -11.325 12.637 13.927 637 H HIS 93 HN HIS 93 -6.941 10.868 12.479 638 HA HIS 93 HA HIS 93 -5.285 10.080 13.910 639 HD1 HIS 93 HD1 HIS 93 -3.227 12.597 16.675 640 HD2 HIS 93 HD2 HIS 93 -2.584 9.886 13.573 641 HE1 HIS 93 HE1 HIS 93 -1.166 11.264 17.302 642 HB2 HIS 93 HB2 HIS 93 -4.309 12.368 13.246 643 HB3 HIS 93 HB1 HIS 93 -4.862 12.926 14.824 644 H HIS 94 HN HIS 94 -5.299 9.223 15.913 645 HA HIS 94 HA HIS 94 -7.599 9.453 17.554 646 HD1 HIS 94 HD1 HIS 94 -5.163 7.100 15.810 647 HD2 HIS 94 HD2 HIS 94 -8.040 6.290 18.716 648 HE1 HIS 94 HE1 HIS 94 -6.403 5.032 15.035 649 HB2 HIS 94 HB2 HIS 94 -4.816 8.383 18.113 650 HB3 HIS 94 HB1 HIS 94 -6.132 8.268 19.281 651 H HIS 95 HN HIS 95 -4.378 10.903 17.846 652 HA HIS 95 HA HIS 95 -5.337 12.559 20.140 653 HD1 HIS 95 HD1 HIS 95 -4.300 11.799 22.427 654 HD2 HIS 95 HD2 HIS 95 -2.149 9.421 19.763 655 HE1 HIS 95 HE1 HIS 95 -3.996 9.552 23.556 656 HB2 HIS 95 HB2 HIS 95 -2.543 12.072 19.051 657 HB3 HIS 95 HB1 HIS 95 -2.926 13.103 20.429 658 H HIS 96 HN HIS 96 -4.560 14.819 20.128 659 HA HIS 96 HA HIS 96 -4.592 16.956 19.213 660 HD1 HIS 96 HD1 HIS 96 -4.638 17.729 15.494 661 HD2 HIS 96 HD2 HIS 96 -1.801 18.704 18.390 662 HE1 HIS 96 HE1 HIS 96 -4.041 20.162 15.123 663 HB2 HIS 96 HB2 HIS 96 -2.518 16.010 18.119 664 HB3 HIS 96 HB1 HIS 96 -3.514 15.648 16.708 665 H HIS 97 HN HIS 97 -6.994 15.782 19.229 666 HA HIS 97 HA HIS 97 -8.251 15.783 16.584 667 HD1 HIS 97 HD1 HIS 97 -7.931 14.823 20.717 668 HD2 HIS 97 HD2 HIS 97 -11.255 17.170 19.808 669 HE1 HIS 97 HE1 HIS 97 -8.642 15.925 22.882 670 HB2 HIS 97 HB2 HIS 97 -10.328 15.367 17.846 671 HB3 HIS 97 HB1 HIS 97 -9.048 14.284 18.386 672 H HIS 98 HN HIS 98 -7.381 18.115 18.887 673 HA HIS 98 HA HIS 98 -8.949 20.185 17.443 674 HD1 HIS 98 HD1 HIS 98 -8.698 17.807 20.895 675 HD2 HIS 98 HD2 HIS 98 -8.290 21.873 21.718 676 HE1 HIS 98 HE1 HIS 98 -7.533 17.972 23.138 677 HB2 HIS 98 HB2 HIS 98 -9.795 21.172 19.487 678 HB3 HIS 98 HB1 HIS 98 -10.279 19.477 19.453 Start of MODEL 5 1 HA ALA 12 HA ALA 12 -6.013 13.498 -11.638 2 H1 ALA 12 HN ALA 12 -8.589 14.538 -12.659 3 HB1 ALA 12 HB1 ALA 12 -6.568 15.887 -11.336 4 HB2 ALA 12 HB2 ALA 12 -6.415 15.082 -9.775 5 HB3 ALA 12 HB3 ALA 12 -8.013 15.444 -10.429 6 H PHE 13 HN PHE 13 -9.154 12.429 -11.690 7 HA PHE 13 HA PHE 13 -9.688 11.571 -9.026 8 HD1 PHE 13 HD1 PHE 13 -12.034 11.056 -8.367 9 HD2 PHE 13 HD2 PHE 13 -10.885 7.953 -11.107 10 HE1 PHE 13 HE1 PHE 13 -13.176 9.376 -6.945 11 HE2 PHE 13 HE2 PHE 13 -12.027 6.274 -9.684 12 HZ PHE 13 HZ PHE 13 -13.173 6.986 -7.603 13 HB2 PHE 13 HB2 PHE 13 -11.352 11.477 -10.867 14 HB3 PHE 13 HB1 PHE 13 -10.415 10.197 -11.637 15 H PHE 14 HN PHE 14 -8.018 9.886 -11.692 16 HA PHE 14 HA PHE 14 -7.463 7.475 -10.254 17 HD1 PHE 14 HD2 PHE 14 -7.189 5.323 -12.144 18 HD2 PHE 14 HD1 PHE 14 -8.111 9.175 -13.809 19 HE1 PHE 14 HE2 PHE 14 -9.025 4.312 -13.469 20 HE2 PHE 14 HE1 PHE 14 -9.947 8.162 -15.135 21 HZ PHE 14 HZ PHE 14 -10.404 5.730 -14.964 22 HB2 PHE 14 HB2 PHE 14 -6.043 8.809 -12.582 23 HB3 PHE 14 HB1 PHE 14 -5.611 7.210 -11.975 24 H ASN 15 HN ASN 15 -5.582 10.452 -10.687 25 HA ASN 15 HA ASN 15 -3.249 9.612 -9.255 26 HB2 ASN 15 HB2 ASN 15 -3.298 11.602 -10.723 27 HB3 ASN 15 HB1 ASN 15 -4.410 12.398 -9.609 28 HD21 ASN 15 HD21 ASN 15 -2.886 14.104 -9.054 29 HD22 ASN 15 HD22 ASN 15 -1.493 13.791 -8.135 30 H GLU 16 HN GLU 16 -6.193 11.308 -8.207 31 HA GLU 16 HA GLU 16 -5.361 11.726 -5.487 32 HB2 GLU 16 HB2 GLU 16 -8.089 11.606 -6.804 33 HB3 GLU 16 HB1 GLU 16 -7.880 11.962 -5.089 34 HG2 GLU 16 HG2 GLU 16 -6.490 13.898 -5.619 35 HG3 GLU 16 HG1 GLU 16 -6.570 13.521 -7.339 36 H GLN 17 HN GLN 17 -7.101 9.080 -7.086 37 HA GLN 17 HA GLN 17 -7.862 7.658 -4.726 38 HB2 GLN 17 HB2 GLN 17 -8.560 7.252 -7.204 39 HB3 GLN 17 HB1 GLN 17 -7.083 6.294 -7.317 40 HG2 GLN 17 HG2 GLN 17 -8.837 4.762 -6.731 41 HG3 GLN 17 HG1 GLN 17 -7.888 5.020 -5.267 42 HE21 GLN 17 HE21 GLN 17 -9.167 5.404 -3.463 43 HE22 GLN 17 HE22 GLN 17 -10.696 6.142 -3.483 44 H LYS 18 HN LYS 18 -4.939 7.478 -6.743 45 HA LYS 18 HA LYS 18 -3.678 5.314 -5.352 46 HB2 LYS 18 HB2 LYS 18 -2.490 7.639 -6.905 47 HB3 LYS 18 HB1 LYS 18 -1.569 6.245 -6.344 48 HG2 LYS 18 HG2 LYS 18 -2.976 4.740 -7.668 49 HG3 LYS 18 HG1 LYS 18 -3.982 6.095 -8.176 50 HD2 LYS 18 HD2 LYS 18 -2.519 5.834 -10.000 51 HD3 LYS 18 HD1 LYS 18 -1.750 7.120 -9.073 52 HE2 LYS 18 HE2 LYS 18 -0.217 5.517 -8.052 53 HE3 LYS 18 HE1 LYS 18 -1.043 4.183 -8.856 54 HZ1 LYS 18 HZ1 LYS 18 0.619 4.534 -10.323 55 HZ2 LYS 18 HZ2 LYS 18 0.772 6.185 -9.952 56 HZ3 LYS 18 HZ3 LYS 18 -0.494 5.649 -10.951 57 H GLU 19 HN GLU 19 -3.591 8.825 -4.889 58 HA GLU 19 HA GLU 19 -1.591 8.891 -2.845 59 HB2 GLU 19 HB2 GLU 19 -3.932 10.735 -3.428 60 HB3 GLU 19 HB1 GLU 19 -2.673 11.104 -2.250 61 HG2 GLU 19 HG2 GLU 19 -2.117 10.479 -5.161 62 HG3 GLU 19 HG1 GLU 19 -2.280 12.119 -4.529 63 H LYS 20 HN LYS 20 -5.125 8.579 -2.675 64 HA LYS 20 HA LYS 20 -5.390 8.710 0.165 65 HB2 LYS 20 HB2 LYS 20 -7.036 7.279 -1.943 66 HB3 LYS 20 HB1 LYS 20 -7.516 7.380 -0.250 67 HG2 LYS 20 HG2 LYS 20 -7.499 9.829 -0.370 68 HG3 LYS 20 HG1 LYS 20 -6.970 9.759 -2.049 69 HD2 LYS 20 HD2 LYS 20 -9.044 8.527 -2.634 70 HD3 LYS 20 HD1 LYS 20 -9.579 8.665 -0.960 71 HE2 LYS 20 HE2 LYS 20 -8.900 11.051 -2.699 72 HE3 LYS 20 HE1 LYS 20 -10.536 10.421 -2.502 73 HZ1 LYS 20 HZ1 LYS 20 -10.560 11.875 -0.803 74 HZ2 LYS 20 HZ2 LYS 20 -8.871 11.885 -0.624 75 HZ3 LYS 20 HZ3 LYS 20 -9.790 10.618 0.033 76 H VAL 21 HN VAL 21 -4.826 5.954 -1.997 77 HA VAL 21 HA VAL 21 -4.932 3.921 0.029 78 HB VAL 21 HB VAL 21 -3.470 3.987 -2.633 79 HG11 VAL 21 HG11 VAL 21 -2.440 2.264 -1.340 80 HG12 VAL 21 HG12 VAL 21 -3.637 1.444 -2.342 81 HG13 VAL 21 HG13 VAL 21 -3.981 1.767 -0.643 82 HG21 VAL 21 HG21 VAL 21 -6.167 2.927 -1.742 83 HG22 VAL 21 HG22 VAL 21 -5.435 2.538 -3.299 84 HG23 VAL 21 HG23 VAL 21 -5.863 4.207 -2.915 85 H THR 22 HN THR 22 -2.287 5.870 -1.293 86 HA THR 22 HA THR 22 -0.117 4.605 0.044 87 HB THR 22 HB THR 22 -0.467 7.526 -0.717 88 HG1 THR 22 HG1 THR 22 -0.504 6.406 -2.557 89 HG21 THR 22 HG21 THR 22 1.341 7.453 0.816 90 HG22 THR 22 HG22 THR 22 2.101 7.379 -0.775 91 HG23 THR 22 HG23 THR 22 1.918 5.911 0.184 92 H LEU 23 HN LEU 23 -2.229 7.271 1.052 93 HA LEU 23 HA LEU 23 -0.957 7.815 3.555 94 HG LEU 23 HG LEU 23 -1.589 10.043 3.798 95 HB2 LEU 23 HB2 LEU 23 -3.624 8.364 2.316 96 HB3 LEU 23 HB1 LEU 23 -3.550 8.503 4.069 97 HD11 LEU 23 HD11 LEU 23 -1.019 9.172 1.475 98 HD12 LEU 23 HD12 LEU 23 -1.015 10.923 1.651 99 HD13 LEU 23 HD13 LEU 23 -2.381 10.121 0.883 100 HD21 LEU 23 HD21 LEU 23 -2.921 11.953 3.283 101 HD22 LEU 23 HD22 LEU 23 -4.023 10.778 3.997 102 HD23 LEU 23 HD23 LEU 23 -3.997 11.014 2.249 103 H TYR 24 HN TYR 24 -3.556 5.601 2.669 104 HA TYR 24 HA TYR 24 -4.247 4.707 5.278 105 HD1 TYR 24 HD2 TYR 24 -6.602 3.420 5.526 106 HD2 TYR 24 HD1 TYR 24 -3.957 0.957 3.204 107 HE1 TYR 24 HE2 TYR 24 -7.376 1.417 6.766 108 HE2 TYR 24 HE1 TYR 24 -4.734 -1.046 4.444 109 HH TYR 24 HH TYR 24 -5.825 -1.337 6.960 110 HB2 TYR 24 HB2 TYR 24 -5.601 4.171 3.304 111 HB3 TYR 24 HB1 TYR 24 -4.275 3.235 2.617 112 H LEU 25 HN LEU 25 -1.935 3.361 2.926 113 HA LEU 25 HA LEU 25 -0.967 1.272 4.662 114 HG LEU 25 HG LEU 25 -1.890 1.309 1.941 115 HB2 LEU 25 HB2 LEU 25 0.256 2.606 2.226 116 HB3 LEU 25 HB1 LEU 25 0.945 1.188 3.015 117 HD11 LEU 25 HD11 LEU 25 -0.378 1.511 0.062 118 HD12 LEU 25 HD12 LEU 25 -0.970 -0.150 0.106 119 HD13 LEU 25 HD13 LEU 25 0.650 0.224 0.693 120 HD21 LEU 25 HD21 LEU 25 -1.374 -1.297 2.027 121 HD22 LEU 25 HD22 LEU 25 -1.885 -0.452 3.480 122 HD23 LEU 25 HD23 LEU 25 -0.179 -0.815 3.231 123 H LYS 26 HN LYS 26 0.209 4.547 3.957 124 HA LYS 26 HA LYS 26 2.637 4.337 5.460 125 HB2 LYS 26 HB2 LYS 26 2.161 6.148 3.807 126 HB3 LYS 26 HB1 LYS 26 0.993 6.834 4.938 127 HG2 LYS 26 HG2 LYS 26 2.757 7.147 6.613 128 HG3 LYS 26 HG1 LYS 26 3.934 6.392 5.540 129 HD2 LYS 26 HD2 LYS 26 3.581 8.189 3.883 130 HD3 LYS 26 HD1 LYS 26 2.408 8.948 4.959 131 HE2 LYS 26 HE2 LYS 26 4.586 10.042 5.210 132 HE3 LYS 26 HE1 LYS 26 4.177 9.180 6.692 133 HZ1 LYS 26 HZ1 LYS 26 6.490 8.831 5.913 134 HZ2 LYS 26 HZ2 LYS 26 5.875 8.050 4.535 135 HZ3 LYS 26 HZ3 LYS 26 5.604 7.395 6.079 136 H HIS 27 HN HIS 27 -0.596 5.495 6.370 137 HA HIS 27 HA HIS 27 0.243 6.110 9.104 138 HD1 HIS 27 HD1 HIS 27 -0.323 8.383 9.849 139 HD2 HIS 27 HD2 HIS 27 -2.255 8.326 6.150 140 HE1 HIS 27 HE1 HIS 27 0.014 10.675 8.827 141 HB2 HIS 27 HB2 HIS 27 -2.442 6.036 7.702 142 HB3 HIS 27 HB1 HIS 27 -2.282 6.409 9.418 143 H ASN 28 HN ASN 28 -0.787 3.277 7.461 144 HA ASN 28 HA ASN 28 -1.568 1.942 10.037 145 HB2 ASN 28 HB2 ASN 28 -1.923 1.098 7.142 146 HB3 ASN 28 HB1 ASN 28 -2.365 0.103 8.530 147 HD21 ASN 28 HD21 ASN 28 -3.036 2.924 9.852 148 HD22 ASN 28 HD22 ASN 28 -4.615 3.204 9.297 149 H ILE 29 HN ILE 29 1.018 2.357 7.905 150 HA ILE 29 HA ILE 29 2.488 0.110 9.189 151 HB ILE 29 HB ILE 29 2.683 0.574 6.208 152 HG12 ILE 29 HG12 ILE 29 0.918 -1.379 7.730 153 HG13 ILE 29 HG11 ILE 29 0.367 -0.073 6.682 154 HG21 ILE 29 HG21 ILE 29 3.332 -1.836 7.930 155 HG22 ILE 29 HG22 ILE 29 4.513 -0.595 7.514 156 HG23 ILE 29 HG23 ILE 29 3.784 -1.578 6.244 157 HD11 ILE 29 HD11 ILE 29 0.254 -2.039 5.345 158 HD12 ILE 29 HD12 ILE 29 1.834 -2.591 5.894 159 HD13 ILE 29 HD13 ILE 29 1.712 -1.201 4.816 160 HA PRO 30 HA PRO 30 4.792 4.153 9.336 161 HB2 PRO 30 HB2 PRO 30 6.218 2.505 11.406 162 HB3 PRO 30 HB1 PRO 30 5.641 4.183 11.506 163 HG2 PRO 30 HG2 PRO 30 4.355 2.200 12.744 164 HG3 PRO 30 HG1 PRO 30 3.474 3.547 11.999 165 HD2 PRO 30 HD2 PRO 30 3.788 0.733 11.027 166 HD3 PRO 30 HD1 PRO 30 2.411 1.841 10.846 167 H ASP 31 HN ASP 31 5.901 0.820 9.151 168 HA ASP 31 HA ASP 31 8.622 1.420 8.337 169 HB2 ASP 31 HB2 ASP 31 7.847 -0.757 9.366 170 HB3 ASP 31 HB1 ASP 31 7.027 -1.121 7.847 171 H PHE 32 HN PHE 32 6.011 2.367 6.859 172 HA PHE 32 HA PHE 32 6.041 1.305 4.215 173 HD1 PHE 32 HD1 PHE 32 6.370 5.075 3.164 174 HD2 PHE 32 HD2 PHE 32 3.282 2.101 2.890 175 HE1 PHE 32 HE1 PHE 32 5.999 5.680 0.787 176 HE2 PHE 32 HE2 PHE 32 2.910 2.706 0.518 177 HZ PHE 32 HZ PHE 32 4.270 4.493 -0.538 178 HB2 PHE 32 HB2 PHE 32 4.198 2.682 5.011 179 HB3 PHE 32 HB1 PHE 32 5.270 4.069 5.200 180 H ASN 33 HN ASN 33 7.398 1.583 2.578 181 HA ASN 33 HA ASN 33 9.501 3.731 2.740 182 HB2 ASN 33 HB2 ASN 33 10.324 1.349 2.969 183 HB3 ASN 33 HB1 ASN 33 9.706 1.047 1.345 184 HD21 ASN 33 HD21 ASN 33 12.507 0.857 1.928 185 HD22 ASN 33 HD22 ASN 33 13.309 2.108 1.109 186 H THR 34 HN THR 34 8.022 1.548 0.324 187 HA THR 34 HA THR 34 7.338 3.903 -1.359 188 HB THR 34 HB THR 34 9.552 3.319 -2.160 189 HG1 THR 34 HG1 THR 34 7.655 3.612 -3.635 190 HG21 THR 34 HG21 THR 34 9.776 1.059 -1.311 191 HG22 THR 34 HG22 THR 34 9.972 1.010 -3.064 192 HG23 THR 34 HG23 THR 34 8.451 0.498 -2.332 193 H VAL 35 HN VAL 35 5.987 3.265 -3.210 194 HA VAL 35 HA VAL 35 4.473 0.717 -2.784 195 HB VAL 35 HB VAL 35 3.314 2.736 -1.768 196 HG11 VAL 35 HG11 VAL 35 2.387 4.416 -3.178 197 HG12 VAL 35 HG12 VAL 35 2.782 3.516 -4.642 198 HG13 VAL 35 HG13 VAL 35 4.067 4.262 -3.692 199 HG21 VAL 35 HG21 VAL 35 1.998 0.807 -2.305 200 HG22 VAL 35 HG22 VAL 35 2.056 1.170 -4.031 201 HG23 VAL 35 HG23 VAL 35 1.123 2.198 -2.943 202 H THR 36 HN THR 36 3.915 -0.308 -4.629 203 HA THR 36 HA THR 36 4.408 1.089 -7.246 204 HB THR 36 HB THR 36 5.095 -1.771 -6.510 205 HG1 THR 36 HG1 THR 36 6.405 0.387 -6.073 206 HG21 THR 36 HG21 THR 36 4.386 -1.755 -8.785 207 HG22 THR 36 HG22 THR 36 6.147 -1.668 -8.841 208 HG23 THR 36 HG23 THR 36 5.183 -0.213 -9.097 209 H PHE 37 HN PHE 37 2.521 1.273 -8.235 210 HA PHE 37 HA PHE 37 0.351 -0.702 -7.755 211 HD1 PHE 37 HD1 PHE 37 -1.513 0.429 -6.410 212 HD2 PHE 37 HD2 PHE 37 1.063 3.563 -7.826 213 HE1 PHE 37 HE1 PHE 37 -1.693 1.571 -4.216 214 HE2 PHE 37 HE2 PHE 37 0.886 4.700 -5.629 215 HZ PHE 37 HZ PHE 37 -0.494 3.706 -3.827 216 HB2 PHE 37 HB2 PHE 37 0.321 1.896 -9.326 217 HB3 PHE 37 HB1 PHE 37 -1.084 0.911 -8.917 218 H THR 38 HN THR 38 -0.050 -2.272 -9.152 219 HA THR 38 HA THR 38 0.406 -1.928 -12.032 220 HB THR 38 HB THR 38 2.608 -2.623 -11.609 221 HG1 THR 38 HG1 THR 38 1.158 -5.033 -11.945 222 HG21 THR 38 HG21 THR 38 2.491 -3.120 -9.264 223 HG22 THR 38 HG22 THR 38 3.101 -4.567 -10.065 224 HG23 THR 38 HG23 THR 38 1.417 -4.490 -9.546 225 H ASN 39 HN ASN 39 -1.866 -2.272 -12.012 226 HA ASN 39 HA ASN 39 -2.713 -4.962 -12.472 227 HB2 ASN 39 HB2 ASN 39 -2.581 -5.187 -10.032 228 HB3 ASN 39 HB1 ASN 39 -3.592 -3.756 -9.829 229 HD21 ASN 39 HD21 ASN 39 -3.713 -6.915 -11.584 230 HD22 ASN 39 HD22 ASN 39 -5.358 -7.189 -11.267 231 H GLU 40 HN GLU 40 -4.217 -2.109 -10.931 232 HA GLU 40 HA GLU 40 -6.206 -0.980 -11.508 233 HB2 GLU 40 HB2 GLU 40 -4.684 -1.028 -14.127 234 HB3 GLU 40 HB1 GLU 40 -6.073 0.011 -13.806 235 HG2 GLU 40 HG2 GLU 40 -3.515 -0.002 -12.175 236 HG3 GLU 40 HG1 GLU 40 -3.902 1.178 -13.424 237 H GLU 41 HN GLU 41 -7.648 -2.756 -11.204 238 HA GLU 41 HA GLU 41 -8.676 -3.932 -13.780 239 HB2 GLU 41 HB2 GLU 41 -8.572 -5.187 -11.023 240 HB3 GLU 41 HB1 GLU 41 -9.414 -5.881 -12.409 241 HG2 GLU 41 HG2 GLU 41 -6.465 -5.194 -12.393 242 HG3 GLU 41 HG1 GLU 41 -7.101 -6.808 -12.080 243 H PHE 42 HN PHE 42 -10.875 -4.041 -14.031 244 HA PHE 42 HA PHE 42 -12.434 -2.112 -12.427 245 HD1 PHE 42 HD2 PHE 42 -11.278 -3.783 -16.054 246 HD2 PHE 42 HD1 PHE 42 -15.165 -4.620 -14.423 247 HE1 PHE 42 HE2 PHE 42 -11.388 -5.874 -17.385 248 HE2 PHE 42 HE1 PHE 42 -15.274 -6.708 -15.757 249 HZ PHE 42 HZ PHE 42 -13.386 -7.336 -17.236 250 HB2 PHE 42 HB2 PHE 42 -14.149 -2.417 -14.175 251 HB3 PHE 42 HB1 PHE 42 -12.584 -2.044 -14.889 252 H ASN 43 HN ASN 43 -13.586 -2.766 -10.737 253 HA ASN 43 HA ASN 43 -14.443 -5.615 -10.597 254 HB2 ASN 43 HB2 ASN 43 -13.710 -3.577 -8.518 255 HB3 ASN 43 HB1 ASN 43 -14.823 -4.869 -8.076 256 HD21 ASN 43 HD21 ASN 43 -12.768 -5.351 -6.637 257 HD22 ASN 43 HD22 ASN 43 -11.627 -6.407 -7.315 258 HA PRO 44 HA PRO 44 -18.753 -4.778 -11.035 259 HB2 PRO 44 HB2 PRO 44 -19.071 -5.927 -8.269 260 HB3 PRO 44 HB1 PRO 44 -19.945 -6.332 -9.760 261 HG2 PRO 44 HG2 PRO 44 -18.011 -7.910 -8.788 262 HG3 PRO 44 HG1 PRO 44 -18.268 -7.704 -10.531 263 HD2 PRO 44 HD2 PRO 44 -16.072 -6.660 -8.829 264 HD3 PRO 44 HD1 PRO 44 -16.105 -6.995 -10.572 265 H ILE 45 HN ILE 45 -17.431 -4.063 -7.809 266 HA ILE 45 HA ILE 45 -19.438 -2.101 -7.121 267 HB ILE 45 HB ILE 45 -17.968 -3.321 -5.467 268 HG12 ILE 45 HG12 ILE 45 -17.690 -0.312 -5.270 269 HG13 ILE 45 HG11 ILE 45 -19.223 -1.144 -5.010 270 HG21 ILE 45 HG21 ILE 45 -15.860 -1.286 -6.220 271 HG22 ILE 45 HG22 ILE 45 -15.869 -2.916 -6.894 272 HG23 ILE 45 HG23 ILE 45 -15.697 -2.682 -5.155 273 HD11 ILE 45 HD11 ILE 45 -18.088 -0.773 -2.867 274 HD12 ILE 45 HD12 ILE 45 -16.660 -1.622 -3.459 275 HD13 ILE 45 HD13 ILE 45 -18.172 -2.499 -3.220 276 H GLY 46 HN GLY 46 -16.215 -1.912 -8.590 277 HA2 GLY 46 HA2 GLY 46 -16.740 0.409 -10.111 278 HA3 GLY 46 HA1 GLY 46 -16.053 0.962 -8.584 279 H ILE 47 HN ILE 47 -13.880 0.956 -8.396 280 HA ILE 47 HA ILE 47 -12.264 -0.555 -10.434 281 HB ILE 47 HB ILE 47 -10.617 1.290 -10.284 282 HG12 ILE 47 HG12 ILE 47 -12.766 2.767 -8.730 283 HG13 ILE 47 HG11 ILE 47 -11.337 2.060 -7.978 284 HG21 ILE 47 HG21 ILE 47 -13.409 2.247 -10.969 285 HG22 ILE 47 HG22 ILE 47 -12.417 1.230 -12.015 286 HG23 ILE 47 HG23 ILE 47 -11.893 2.868 -11.623 287 HD11 ILE 47 HD11 ILE 47 -9.875 3.470 -9.320 288 HD12 ILE 47 HD12 ILE 47 -11.062 4.489 -8.505 289 HD13 ILE 47 HD13 ILE 47 -11.256 4.105 -10.215 290 H SER 48 HN SER 48 -10.467 -1.603 -9.734 291 HA SER 48 HA SER 48 -10.010 -1.708 -6.767 292 HG SER 48 HG SER 48 -9.495 -5.068 -6.696 293 HB2 SER 48 HB2 SER 48 -10.997 -3.787 -7.594 294 HB3 SER 48 HB1 SER 48 -9.749 -3.907 -8.833 295 H ILE 49 HN ILE 49 -7.997 -1.389 -6.071 296 HA ILE 49 HA ILE 49 -5.793 -1.126 -8.099 297 HB ILE 49 HB ILE 49 -6.170 0.304 -5.449 298 HG12 ILE 49 HG12 ILE 49 -6.070 1.408 -8.270 299 HG13 ILE 49 HG11 ILE 49 -7.577 1.033 -7.435 300 HG21 ILE 49 HG21 ILE 49 -3.922 0.255 -7.475 301 HG22 ILE 49 HG22 ILE 49 -3.827 -0.054 -5.741 302 HG23 ILE 49 HG23 ILE 49 -4.127 1.581 -6.330 303 HD11 ILE 49 HD11 ILE 49 -7.065 2.621 -5.675 304 HD12 ILE 49 HD12 ILE 49 -6.901 3.440 -7.229 305 HD13 ILE 49 HD13 ILE 49 -5.463 2.914 -6.353 306 H ASP 50 HN ASP 50 -4.139 -2.460 -7.870 307 HA ASP 50 HA ASP 50 -3.632 -3.791 -5.235 308 HB2 ASP 50 HB2 ASP 50 -4.877 -5.324 -6.764 309 HB3 ASP 50 HB1 ASP 50 -3.572 -5.155 -7.934 310 H GLY 51 HN GLY 51 -1.497 -4.086 -4.745 311 HA2 GLY 51 HA2 GLY 51 0.652 -3.965 -6.653 312 HA3 GLY 51 HA1 GLY 51 0.468 -2.402 -5.858 313 H TYR 52 HN TYR 52 2.676 -2.953 -5.083 314 HA TYR 52 HA TYR 52 2.516 -4.338 -2.457 315 HD1 TYR 52 HD1 TYR 52 6.373 -3.816 -4.020 316 HD2 TYR 52 HD2 TYR 52 3.313 -5.864 -6.235 317 HE1 TYR 52 HE1 TYR 52 7.558 -3.306 -6.142 318 HE2 TYR 52 HE2 TYR 52 4.499 -5.350 -8.350 319 HH TYR 52 HH TYR 52 6.108 -3.957 -9.261 320 HB2 TYR 52 HB2 TYR 52 4.760 -5.391 -2.926 321 HB3 TYR 52 HB1 TYR 52 3.423 -6.075 -3.845 322 H ILE 53 HN ILE 53 4.417 -3.879 -1.112 323 HA ILE 53 HA ILE 53 5.548 -1.153 -1.692 324 HB ILE 53 HB ILE 53 5.456 -0.740 0.740 325 HG12 ILE 53 HG12 ILE 53 3.887 -3.337 0.883 326 HG13 ILE 53 HG11 ILE 53 5.563 -3.182 1.402 327 HG21 ILE 53 HG21 ILE 53 3.546 -0.194 -0.856 328 HG22 ILE 53 HG22 ILE 53 3.108 -0.307 0.847 329 HG23 ILE 53 HG23 ILE 53 2.744 -1.640 -0.250 330 HD11 ILE 53 HD11 ILE 53 4.719 -1.234 2.886 331 HD12 ILE 53 HD12 ILE 53 4.336 -2.879 3.387 332 HD13 ILE 53 HD13 ILE 53 3.110 -1.895 2.588 333 H ASN 54 HN ASN 54 7.507 -0.689 -0.411 334 HA ASN 54 HA ASN 54 9.756 -1.149 0.037 335 HB2 ASN 54 HB2 ASN 54 8.464 -3.660 1.120 336 HB3 ASN 54 HB1 ASN 54 10.181 -3.310 1.295 337 HD21 ASN 54 HD21 ASN 54 7.131 -2.806 2.734 338 HD22 ASN 54 HD22 ASN 54 7.570 -1.555 3.793 339 H ASN 55 HN ASN 55 8.705 -1.749 -2.566 340 HA ASN 55 HA ASN 55 9.194 -2.957 -4.522 341 HB2 ASN 55 HB2 ASN 55 11.364 -1.684 -3.778 342 HB3 ASN 55 HB1 ASN 55 11.974 -3.293 -3.393 343 HD21 ASN 55 HD21 ASN 55 10.904 -1.194 -6.046 344 HD22 ASN 55 HD22 ASN 55 11.499 -2.173 -7.296 345 H ASP 56 HN ASP 56 8.390 -4.505 -2.068 346 HA ASP 56 HA ASP 56 9.691 -7.139 -2.689 347 HB2 ASP 56 HB2 ASP 56 8.226 -6.131 -0.240 348 HB3 ASP 56 HB1 ASP 56 8.630 -7.829 -0.487 349 H LYS 57 HN LYS 57 8.533 -8.198 -4.143 350 HA LYS 57 HA LYS 57 5.811 -7.784 -4.829 351 HB2 LYS 57 HB2 LYS 57 7.638 -10.179 -5.185 352 HB3 LYS 57 HB1 LYS 57 6.031 -10.073 -5.903 353 HG2 LYS 57 HG2 LYS 57 7.954 -7.791 -6.322 354 HG3 LYS 57 HG1 LYS 57 8.172 -9.261 -7.269 355 HD2 LYS 57 HD2 LYS 57 5.395 -8.116 -7.109 356 HD3 LYS 57 HD1 LYS 57 6.570 -7.273 -8.115 357 HE2 LYS 57 HE2 LYS 57 5.126 -9.177 -9.183 358 HE3 LYS 57 HE1 LYS 57 6.848 -9.098 -9.555 359 HZ1 LYS 57 HZ1 LYS 57 5.390 -11.012 -7.900 360 HZ2 LYS 57 HZ2 LYS 57 6.958 -10.592 -7.397 361 HZ3 LYS 57 HZ3 LYS 57 6.707 -11.260 -8.939 362 H ASN 58 HN ASN 58 7.286 -9.856 -2.408 363 HA ASN 58 HA ASN 58 5.052 -11.553 -1.869 364 HB2 ASN 58 HB2 ASN 58 7.376 -10.591 -0.183 365 HB3 ASN 58 HB1 ASN 58 6.142 -11.662 0.482 366 HD21 ASN 58 HD21 ASN 58 5.671 -13.225 -1.921 367 HD22 ASN 58 HD22 ASN 58 7.064 -14.150 -2.207 368 H LEU 59 HN LEU 59 5.937 -8.344 -0.649 369 HA LEU 59 HA LEU 59 3.633 -8.257 1.183 370 HG LEU 59 HG LEU 59 6.748 -7.913 1.351 371 HB2 LEU 59 HB2 LEU 59 5.516 -6.029 0.339 372 HB3 LEU 59 HB1 LEU 59 4.417 -6.003 1.716 373 HD11 LEU 59 HD11 LEU 59 7.419 -5.592 1.884 374 HD12 LEU 59 HD12 LEU 59 7.737 -6.676 3.236 375 HD13 LEU 59 HD13 LEU 59 6.338 -5.604 3.277 376 HD21 LEU 59 HD21 LEU 59 5.192 -9.125 2.630 377 HD22 LEU 59 HD22 LEU 59 4.555 -7.679 3.411 378 HD23 LEU 59 HD23 LEU 59 6.135 -8.310 3.876 379 H SER 60 HN SER 60 2.109 -8.716 -0.605 380 HA SER 60 HA SER 60 1.556 -6.432 -2.421 381 HG SER 60 HG SER 60 1.546 -9.403 -4.199 382 HB2 SER 60 HB2 SER 60 0.540 -9.265 -2.263 383 HB3 SER 60 HB1 SER 60 -0.240 -8.059 -3.284 384 H PHE 61 HN PHE 61 -0.550 -5.533 -2.551 385 HA PHE 61 HA PHE 61 -2.421 -5.995 -0.303 386 HD1 PHE 61 HD1 PHE 61 -3.112 -2.232 -1.687 387 HD2 PHE 61 HD2 PHE 61 0.943 -3.399 -0.875 388 HE1 PHE 61 HE1 PHE 61 -2.294 -0.464 -3.221 389 HE2 PHE 61 HE2 PHE 61 1.759 -1.632 -2.414 390 HZ PHE 61 HZ PHE 61 0.141 -0.165 -3.586 391 HB2 PHE 61 HB2 PHE 61 -2.505 -3.631 0.297 392 HB3 PHE 61 HB1 PHE 61 -0.863 -4.233 0.481 393 H THR 62 HN THR 62 -4.508 -5.044 -0.691 394 HA THR 62 HA THR 62 -5.031 -4.047 -3.448 395 HB THR 62 HB THR 62 -6.464 -6.395 -2.177 396 HG1 THR 62 HG1 THR 62 -4.504 -6.984 -3.067 397 HG21 THR 62 HG21 THR 62 -8.092 -5.179 -3.405 398 HG22 THR 62 HG22 THR 62 -7.542 -6.439 -4.511 399 HG23 THR 62 HG23 THR 62 -6.947 -4.788 -4.689 400 H ALA 63 HN ALA 63 -6.639 -2.571 -3.544 401 HA ALA 63 HA ALA 63 -8.497 -2.235 -1.248 402 HB1 ALA 63 HB1 ALA 63 -7.994 0.184 -1.122 403 HB2 ALA 63 HB2 ALA 63 -6.687 -0.039 -2.284 404 HB3 ALA 63 HB3 ALA 63 -6.592 -0.797 -0.695 405 H GLY 64 HN GLY 64 -10.442 -1.306 -1.830 406 HA2 GLY 64 HA2 GLY 64 -10.932 -1.079 -4.758 407 HA3 GLY 64 HA1 GLY 64 -12.159 -1.306 -3.518 408 H LYS 65 HN LYS 65 -11.259 0.804 -5.690 409 HA LYS 65 HA LYS 65 -11.054 3.193 -5.791 410 HB2 LYS 65 HB2 LYS 65 -13.405 4.075 -5.233 411 HB3 LYS 65 HB1 LYS 65 -13.286 2.816 -6.454 412 HG2 LYS 65 HG2 LYS 65 -13.827 1.100 -4.766 413 HG3 LYS 65 HG1 LYS 65 -13.950 2.347 -3.528 414 HD2 LYS 65 HD2 LYS 65 -15.635 2.262 -6.043 415 HD3 LYS 65 HD1 LYS 65 -16.164 1.650 -4.477 416 HE2 LYS 65 HE2 LYS 65 -15.542 4.041 -3.606 417 HE3 LYS 65 HE1 LYS 65 -15.628 4.495 -5.309 418 HZ1 LYS 65 HZ1 LYS 65 -17.842 4.052 -5.420 419 HZ2 LYS 65 HZ2 LYS 65 -17.723 4.606 -3.819 420 HZ3 LYS 65 HZ3 LYS 65 -17.816 2.940 -4.140 421 H ASP 66 HN ASP 66 -13.287 4.031 -3.469 422 HA ASP 66 HA ASP 66 -11.350 5.509 -1.921 423 HB2 ASP 66 HB2 ASP 66 -13.668 6.294 -2.327 424 HB3 ASP 66 HB1 ASP 66 -14.279 4.973 -1.336 425 H VAL 67 HN VAL 67 -10.163 3.372 -1.537 426 HA VAL 67 HA VAL 67 -9.467 1.682 -0.090 427 HB VAL 67 HB VAL 67 -10.848 3.169 2.144 428 HG11 VAL 67 HG11 VAL 67 -8.083 1.963 1.810 429 HG12 VAL 67 HG12 VAL 67 -9.441 1.184 2.620 430 HG13 VAL 67 HG13 VAL 67 -8.734 2.651 3.297 431 HG21 VAL 67 HG21 VAL 67 -8.480 4.136 0.504 432 HG22 VAL 67 HG22 VAL 67 -8.891 4.769 2.098 433 HG23 VAL 67 HG23 VAL 67 -10.013 4.973 0.753 434 H LYS 68 HN LYS 68 -12.431 1.850 -1.075 435 HA LYS 68 HA LYS 68 -14.061 0.488 0.820 436 HB2 LYS 68 HB2 LYS 68 -14.151 0.411 -2.213 437 HB3 LYS 68 HB1 LYS 68 -15.450 -0.117 -1.146 438 HG2 LYS 68 HG2 LYS 68 -14.298 2.680 -1.136 439 HG3 LYS 68 HG1 LYS 68 -15.740 2.228 -2.043 440 HD2 LYS 68 HD2 LYS 68 -16.629 1.335 0.236 441 HD3 LYS 68 HD1 LYS 68 -15.346 2.305 0.953 442 HE2 LYS 68 HE2 LYS 68 -16.213 4.318 -0.079 443 HE3 LYS 68 HE1 LYS 68 -17.445 3.386 -0.931 444 HZ1 LYS 68 HZ1 LYS 68 -17.710 4.512 1.537 445 HZ2 LYS 68 HZ2 LYS 68 -17.434 2.871 1.881 446 HZ3 LYS 68 HZ3 LYS 68 -18.722 3.326 0.870 447 H ILE 69 HN ILE 69 -13.657 -1.373 1.689 448 HA ILE 69 HA ILE 69 -12.953 -3.572 2.017 449 HB ILE 69 HB ILE 69 -13.673 -3.712 -0.921 450 HG12 ILE 69 HG12 ILE 69 -15.200 -4.663 1.523 451 HG13 ILE 69 HG11 ILE 69 -15.458 -3.082 0.785 452 HG21 ILE 69 HG21 ILE 69 -12.257 -5.581 -0.495 453 HG22 ILE 69 HG22 ILE 69 -13.899 -6.203 -0.330 454 HG23 ILE 69 HG23 ILE 69 -12.945 -5.836 1.108 455 HD11 ILE 69 HD11 ILE 69 -15.655 -5.677 -0.761 456 HD12 ILE 69 HD12 ILE 69 -16.161 -4.073 -1.290 457 HD13 ILE 69 HD13 ILE 69 -17.045 -4.896 -0.006 458 H PHE 70 HN PHE 70 -10.886 -3.949 2.435 459 HA PHE 70 HA PHE 70 -8.928 -3.985 0.188 460 HD1 PHE 70 HD1 PHE 70 -6.955 -3.898 3.804 461 HD2 PHE 70 HD2 PHE 70 -10.179 -1.154 3.065 462 HE1 PHE 70 HE1 PHE 70 -7.309 -3.652 6.247 463 HE2 PHE 70 HE2 PHE 70 -10.531 -0.911 5.509 464 HZ PHE 70 HZ PHE 70 -9.097 -2.160 7.100 465 HB2 PHE 70 HB2 PHE 70 -7.272 -2.805 1.585 466 HB3 PHE 70 HB1 PHE 70 -8.683 -1.794 1.282 467 H SER 71 HN SER 71 -7.109 -5.288 0.568 468 HA SER 71 HA SER 71 -7.149 -7.043 2.975 469 HG SER 71 HG SER 71 -7.092 -7.829 -0.745 470 HB2 SER 71 HB2 SER 71 -7.234 -9.044 1.752 471 HB3 SER 71 HB1 SER 71 -8.418 -8.037 0.927 472 H SER 72 HN SER 72 -5.129 -8.241 3.203 473 HA SER 72 HA SER 72 -2.823 -7.243 1.613 474 HG SER 72 HG SER 72 -3.883 -5.151 3.574 475 HB2 SER 72 HB2 SER 72 -3.154 -6.906 4.598 476 HB3 SER 72 HB1 SER 72 -1.600 -6.784 3.780 477 H SER 73 HN SER 73 -0.939 -8.503 1.856 478 HA SER 73 HA SER 73 -1.406 -11.324 2.124 479 HG SER 73 HG SER 73 2.048 -9.350 1.420 480 HB2 SER 73 HB2 SER 73 1.124 -11.444 1.974 481 HB3 SER 73 HB1 SER 73 0.338 -10.578 0.658 482 H GLU 74 HN GLU 74 -0.232 -12.744 3.608 483 HA GLU 74 HA GLU 74 -0.812 -12.212 6.328 484 HB2 GLU 74 HB2 GLU 74 1.143 -14.183 5.082 485 HB3 GLU 74 HB1 GLU 74 0.678 -14.201 6.782 486 HG2 GLU 74 HG2 GLU 74 -0.832 -15.740 5.869 487 HG3 GLU 74 HG1 GLU 74 -1.786 -14.259 5.835 488 H GLU 75 HN GLU 75 2.308 -12.137 4.638 489 HA GLU 75 HA GLU 75 3.872 -11.308 6.886 490 HB2 GLU 75 HB2 GLU 75 4.319 -10.899 3.908 491 HB3 GLU 75 HB1 GLU 75 5.534 -10.593 5.148 492 HG2 GLU 75 HG2 GLU 75 6.067 -12.780 4.507 493 HG3 GLU 75 HG1 GLU 75 5.018 -13.069 5.892 494 H LEU 76 HN LEU 76 2.253 -9.464 4.327 495 HA LEU 76 HA LEU 76 3.204 -6.898 5.183 496 HG LEU 76 HG LEU 76 0.410 -5.445 4.513 497 HB2 LEU 76 HB2 LEU 76 2.305 -7.209 2.931 498 HB3 LEU 76 HB1 LEU 76 0.737 -7.675 3.588 499 HD11 LEU 76 HD11 LEU 76 3.269 -5.069 3.628 500 HD12 LEU 76 HD12 LEU 76 2.535 -4.697 5.188 501 HD13 LEU 76 HD13 LEU 76 2.192 -3.680 3.793 502 HD21 LEU 76 HD21 LEU 76 0.394 -4.132 2.409 503 HD22 LEU 76 HD22 LEU 76 -0.248 -5.760 2.178 504 HD23 LEU 76 HD23 LEU 76 1.389 -5.370 1.646 505 H ASP 77 HN ASP 77 0.326 -8.789 5.962 506 HA ASP 77 HA ASP 77 -1.070 -6.786 7.445 507 HB2 ASP 77 HB2 ASP 77 -2.090 -8.930 6.693 508 HB3 ASP 77 HB1 ASP 77 -1.093 -9.794 7.864 509 H LYS 78 HN LYS 78 1.490 -9.043 8.313 510 HA LYS 78 HA LYS 78 1.339 -8.579 11.173 511 HB2 LYS 78 HB2 LYS 78 3.508 -9.718 9.384 512 HB3 LYS 78 HB1 LYS 78 3.653 -9.636 11.140 513 HG2 LYS 78 HG2 LYS 78 1.630 -10.998 11.395 514 HG3 LYS 78 HG1 LYS 78 1.424 -11.049 9.644 515 HD2 LYS 78 HD2 LYS 78 3.597 -12.207 9.424 516 HD3 LYS 78 HD1 LYS 78 3.796 -12.163 11.176 517 HE2 LYS 78 HE2 LYS 78 1.737 -13.502 11.444 518 HE3 LYS 78 HE1 LYS 78 1.538 -13.546 9.693 519 HZ1 LYS 78 HZ1 LYS 78 2.829 -15.328 9.686 520 HZ2 LYS 78 HZ2 LYS 78 3.173 -15.166 11.342 521 HZ3 LYS 78 HZ3 LYS 78 4.127 -14.361 10.190 522 H MET 79 HN MET 79 2.505 -6.710 8.581 523 HA MET 79 HA MET 79 4.589 -5.309 10.123 524 HB2 MET 79 HB2 MET 79 3.377 -4.829 7.380 525 HB3 MET 79 HB1 MET 79 4.658 -3.831 8.072 526 HG2 MET 79 HG2 MET 79 6.120 -5.790 8.256 527 HG3 MET 79 HG1 MET 79 4.836 -6.825 7.633 528 HE1 MET 79 HE1 MET 79 5.797 -3.068 6.169 529 HE2 MET 79 HE2 MET 79 7.331 -3.667 5.545 530 HE3 MET 79 HE3 MET 79 6.951 -3.855 7.255 531 H PHE 80 HN PHE 80 1.233 -5.206 9.922 532 HA PHE 80 HA PHE 80 0.699 -2.396 10.036 533 HD1 PHE 80 HD1 PHE 80 -0.048 -4.882 8.254 534 HD2 PHE 80 HD2 PHE 80 -2.924 -2.236 10.034 535 HE1 PHE 80 HE1 PHE 80 -1.065 -4.477 6.026 536 HE2 PHE 80 HE2 PHE 80 -3.932 -1.830 7.811 537 HZ PHE 80 HZ PHE 80 -3.004 -2.950 5.805 538 HB2 PHE 80 HB2 PHE 80 -0.774 -4.892 10.841 539 HB3 PHE 80 HB1 PHE 80 -1.398 -3.342 11.405 540 H GLN 81 HN GLN 81 0.778 -0.963 11.658 541 HA GLN 81 HA GLN 81 1.719 -1.944 14.347 542 HB2 GLN 81 HB2 GLN 81 3.255 -0.401 13.029 543 HB3 GLN 81 HB1 GLN 81 2.014 0.842 13.188 544 HG2 GLN 81 HG2 GLN 81 3.605 1.148 14.989 545 HG3 GLN 81 HG1 GLN 81 2.107 0.524 15.680 546 HE21 GLN 81 HE21 GLN 81 2.945 -0.698 17.434 547 HE22 GLN 81 HE22 GLN 81 4.027 -1.991 17.243 548 H GLU 82 HN GLU 82 -0.690 -0.130 12.595 549 HA GLU 82 HA GLU 82 -2.067 0.474 15.192 550 HB2 GLU 82 HB2 GLU 82 -1.768 2.086 12.675 551 HB3 GLU 82 HB1 GLU 82 -3.268 2.254 13.586 552 HG2 GLU 82 HG2 GLU 82 -2.026 2.837 15.601 553 HG3 GLU 82 HG1 GLU 82 -0.495 2.576 14.767 554 HA PRO 83 HA PRO 83 -5.393 -2.072 13.824 555 HB2 PRO 83 HB2 PRO 83 -7.550 -0.752 14.926 556 HB3 PRO 83 HB1 PRO 83 -6.398 -1.715 15.874 557 HG2 PRO 83 HG2 PRO 83 -6.492 1.246 15.464 558 HG3 PRO 83 HG1 PRO 83 -6.200 0.325 16.951 559 HD2 PRO 83 HD2 PRO 83 -4.171 1.432 15.555 560 HD3 PRO 83 HD1 PRO 83 -3.982 -0.117 16.404 561 H ARG 84 HN ARG 84 -7.720 -1.829 12.858 562 HA ARG 84 HA ARG 84 -7.465 -0.620 10.284 563 HE ARG 84 HE ARG 84 -9.177 -5.914 10.448 564 HB2 ARG 84 HB2 ARG 84 -9.865 -1.703 11.782 565 HB3 ARG 84 HB1 ARG 84 -9.939 -1.158 10.105 566 HG2 ARG 84 HG2 ARG 84 -8.212 -2.785 9.476 567 HG3 ARG 84 HG1 ARG 84 -8.078 -3.313 11.154 568 HD2 ARG 84 HD2 ARG 84 -10.451 -4.012 11.117 569 HD3 ARG 84 HD1 ARG 84 -10.566 -3.518 9.428 570 HH11 ARG 84 HH21 ARG 84 -9.750 -3.703 7.842 571 HH12 ARG 84 HH22 ARG 84 -9.205 -4.810 6.627 572 HH21 ARG 84 HH11 ARG 84 -8.475 -7.349 8.867 573 HH22 ARG 84 HH12 ARG 84 -8.486 -6.863 7.205 574 H LYS 85 HN LYS 85 -7.793 1.378 9.646 575 HA LYS 85 HA LYS 85 -9.625 3.177 11.177 576 HB2 LYS 85 HB2 LYS 85 -6.791 3.787 10.307 577 HB3 LYS 85 HB1 LYS 85 -7.949 5.008 10.834 578 HG2 LYS 85 HG2 LYS 85 -8.159 3.937 13.010 579 HG3 LYS 85 HG1 LYS 85 -7.116 2.614 12.494 580 HD2 LYS 85 HD2 LYS 85 -5.680 4.057 13.723 581 HD3 LYS 85 HD1 LYS 85 -5.333 4.411 12.031 582 HE2 LYS 85 HE2 LYS 85 -6.631 6.419 12.084 583 HE3 LYS 85 HE1 LYS 85 -7.355 5.997 13.635 584 HZ1 LYS 85 HZ1 LYS 85 -5.494 6.564 14.765 585 HZ2 LYS 85 HZ2 LYS 85 -5.338 7.636 13.457 586 HZ3 LYS 85 HZ3 LYS 85 -4.445 6.192 13.486 587 H GLY 86 HN GLY 86 -10.632 4.726 9.928 588 HA2 GLY 86 HA2 GLY 86 -10.843 4.129 7.069 589 HA3 GLY 86 HA1 GLY 86 -11.802 5.308 7.961 590 H TYR 87 HN TYR 87 -10.785 5.893 5.471 591 HA TYR 87 HA TYR 87 -8.271 7.237 5.406 592 HD1 TYR 87 HD2 TYR 87 -7.101 7.802 3.295 593 HD2 TYR 87 HD1 TYR 87 -10.826 9.922 2.990 594 HE1 TYR 87 HE2 TYR 87 -5.934 9.704 2.214 595 HE2 TYR 87 HE1 TYR 87 -9.658 11.820 1.906 596 HH TYR 87 HH TYR 87 -6.179 11.985 1.741 597 HB2 TYR 87 HB2 TYR 87 -9.492 6.662 3.362 598 HB3 TYR 87 HB1 TYR 87 -10.818 7.728 3.821 599 H ASP 88 HN ASP 88 -11.542 8.393 6.117 600 HA ASP 88 HA ASP 88 -10.790 11.150 6.558 601 HB2 ASP 88 HB2 ASP 88 -13.133 10.173 6.070 602 HB3 ASP 88 HB1 ASP 88 -13.189 9.769 7.785 603 H GLU 89 HN GLU 89 -10.949 8.286 8.587 604 HA GLU 89 HA GLU 89 -10.837 9.606 11.136 605 HB2 GLU 89 HB2 GLU 89 -11.455 7.207 10.832 606 HB3 GLU 89 HB1 GLU 89 -9.785 6.858 10.381 607 HG2 GLU 89 HG2 GLU 89 -8.993 7.597 12.566 608 HG3 GLU 89 HG1 GLU 89 -10.624 8.089 13.022 609 H ILE 90 HN ILE 90 -8.296 8.255 9.044 610 HA ILE 90 HA ILE 90 -6.109 8.920 10.788 611 HB ILE 90 HB ILE 90 -4.704 8.626 8.721 612 HG12 ILE 90 HG12 ILE 90 -7.331 8.013 7.362 613 HG13 ILE 90 HG11 ILE 90 -6.485 9.538 7.153 614 HG21 ILE 90 HG21 ILE 90 -5.135 6.664 9.991 615 HG22 ILE 90 HG22 ILE 90 -5.498 6.220 8.324 616 HG23 ILE 90 HG23 ILE 90 -6.809 6.584 9.446 617 HD11 ILE 90 HD11 ILE 90 -6.013 7.796 5.372 618 HD12 ILE 90 HD12 ILE 90 -5.184 6.865 6.617 619 HD13 ILE 90 HD13 ILE 90 -4.591 8.463 6.168 620 H LEU 91 HN LEU 91 -7.761 10.662 8.208 621 HA LEU 91 HA LEU 91 -5.922 12.840 7.979 622 HG LEU 91 HG LEU 91 -7.095 11.502 5.921 623 HB2 LEU 91 HB2 LEU 91 -8.871 12.502 7.419 624 HB3 LEU 91 HB1 LEU 91 -8.096 14.068 7.196 625 HD11 LEU 91 HD11 LEU 91 -9.076 13.565 4.962 626 HD12 LEU 91 HD12 LEU 91 -9.159 11.807 4.843 627 HD13 LEU 91 HD13 LEU 91 -8.057 12.711 3.806 628 HD21 LEU 91 HD21 LEU 91 -5.273 12.937 5.801 629 HD22 LEU 91 HD22 LEU 91 -6.264 14.393 5.855 630 HD23 LEU 91 HD23 LEU 91 -6.127 13.471 4.360 631 H GLU 92 HN GLU 92 -8.753 12.358 10.049 632 HA GLU 92 HA GLU 92 -8.440 14.969 11.339 633 HB2 GLU 92 HB2 GLU 92 -10.203 12.555 11.809 634 HB3 GLU 92 HB1 GLU 92 -10.167 13.888 12.963 635 HG2 GLU 92 HG2 GLU 92 -11.973 14.317 11.423 636 HG3 GLU 92 HG1 GLU 92 -10.680 15.452 11.040 637 H HIS 93 HN HIS 93 -7.504 11.659 11.933 638 HA HIS 93 HA HIS 93 -6.060 10.689 13.482 639 HD1 HIS 93 HD1 HIS 93 -4.612 13.037 16.384 640 HD2 HIS 93 HD2 HIS 93 -2.749 10.455 13.693 641 HE1 HIS 93 HE1 HIS 93 -2.846 11.784 17.699 642 HB2 HIS 93 HB2 HIS 93 -4.504 12.414 12.666 643 HB3 HIS 93 HB1 HIS 93 -5.123 13.548 13.861 644 H HIS 94 HN HIS 94 -6.002 13.586 15.383 645 HA HIS 94 HA HIS 94 -6.595 13.911 17.622 646 HD1 HIS 94 HD1 HIS 94 -6.927 15.712 16.689 647 HD2 HIS 94 HD2 HIS 94 -10.688 14.664 15.230 648 HE1 HIS 94 HE1 HIS 94 -7.650 17.593 15.153 649 HB2 HIS 94 HB2 HIS 94 -9.175 12.696 16.609 650 HB3 HIS 94 HB1 HIS 94 -8.991 13.679 18.062 651 H HIS 95 HN HIS 95 -8.212 12.579 19.352 652 HA HIS 95 HA HIS 95 -6.552 10.305 20.083 653 HD1 HIS 95 HD1 HIS 95 -5.541 10.773 22.542 654 HD2 HIS 95 HD2 HIS 95 -8.104 13.996 21.894 655 HE1 HIS 95 HE1 HIS 95 -4.358 12.821 23.447 656 HB2 HIS 95 HB2 HIS 95 -9.075 11.456 21.302 657 HB3 HIS 95 HB1 HIS 95 -8.136 10.150 22.025 658 H HIS 96 HN HIS 96 -6.922 8.215 19.719 659 HA HIS 96 HA HIS 96 -8.920 7.311 17.879 660 HD1 HIS 96 HD1 HIS 96 -8.609 5.011 16.393 661 HD2 HIS 96 HD2 HIS 96 -8.646 3.456 20.262 662 HE1 HIS 96 HE1 HIS 96 -9.847 2.805 16.267 663 HB2 HIS 96 HB2 HIS 96 -6.823 6.093 18.136 664 HB3 HIS 96 HB1 HIS 96 -7.171 5.775 19.835 665 H HIS 97 HN HIS 97 -9.132 8.088 21.152 666 HA HIS 97 HA HIS 97 -11.034 6.144 22.087 667 HD1 HIS 97 HD1 HIS 97 -13.311 8.983 23.500 668 HD2 HIS 97 HD2 HIS 97 -11.018 6.164 25.543 669 HE1 HIS 97 HE1 HIS 97 -14.763 8.104 25.380 670 HB2 HIS 97 HB2 HIS 97 -9.746 7.691 23.573 671 HB3 HIS 97 HB1 HIS 97 -10.698 9.040 22.955 672 H HIS 98 HN HIS 98 -11.377 9.289 20.465 673 HA HIS 98 HA HIS 98 -14.193 9.596 20.647 674 HD1 HIS 98 HD1 HIS 98 -15.384 11.876 20.117 675 HD2 HIS 98 HD2 HIS 98 -14.166 10.793 16.280 676 HE1 HIS 98 HE1 HIS 98 -17.235 12.602 18.546 677 HB2 HIS 98 HB2 HIS 98 -12.695 11.347 19.754 678 HB3 HIS 98 HB1 HIS 98 -12.373 10.350 18.335 Start of MODEL 6 1 HA ALA 12 HA ALA 12 -7.215 11.394 -14.379 2 H1 ALA 12 HN ALA 12 -5.643 13.723 -13.598 3 HB1 ALA 12 HB1 ALA 12 -4.851 11.373 -14.861 4 HB2 ALA 12 HB2 ALA 12 -5.150 10.148 -13.628 5 HB3 ALA 12 HB3 ALA 12 -4.454 11.704 -13.175 6 H PHE 13 HN PHE 13 -8.739 10.642 -13.031 7 HA PHE 13 HA PHE 13 -8.900 11.170 -10.230 8 HD1 PHE 13 HD2 PHE 13 -11.318 11.246 -9.196 9 HD2 PHE 13 HD1 PHE 13 -10.453 7.183 -10.290 10 HE1 PHE 13 HE2 PHE 13 -12.322 10.460 -7.070 11 HE2 PHE 13 HE1 PHE 13 -11.458 6.396 -8.163 12 HZ PHE 13 HZ PHE 13 -12.392 8.036 -6.553 13 HB2 PHE 13 HB2 PHE 13 -10.841 10.511 -11.606 14 HB3 PHE 13 HB1 PHE 13 -10.123 8.921 -11.860 15 H PHE 14 HN PHE 14 -7.199 8.779 -12.072 16 HA PHE 14 HA PHE 14 -6.833 6.792 -10.043 17 HD1 PHE 14 HD2 PHE 14 -6.619 4.364 -11.201 18 HD2 PHE 14 HD1 PHE 14 -6.917 7.537 -14.080 19 HE1 PHE 14 HE2 PHE 14 -8.347 3.082 -12.432 20 HE2 PHE 14 HE1 PHE 14 -8.647 6.254 -15.313 21 HZ PHE 14 HZ PHE 14 -9.362 4.026 -14.488 22 HB2 PHE 14 HB2 PHE 14 -5.172 7.553 -12.454 23 HB3 PHE 14 HB1 PHE 14 -4.842 6.139 -11.452 24 H ASN 15 HN ASN 15 -5.030 9.743 -10.836 25 HA ASN 15 HA ASN 15 -2.768 9.255 -9.159 26 HB2 ASN 15 HB2 ASN 15 -4.083 11.781 -10.156 27 HB3 ASN 15 HB1 ASN 15 -2.654 11.829 -9.124 28 HD21 ASN 15 HD21 ASN 15 -2.509 12.824 -11.777 29 HD22 ASN 15 HD22 ASN 15 -1.530 11.788 -12.701 30 H GLU 16 HN GLU 16 -5.891 10.795 -8.501 31 HA GLU 16 HA GLU 16 -5.299 11.587 -5.807 32 HB2 GLU 16 HB2 GLU 16 -7.905 11.018 -7.233 33 HB3 GLU 16 HB1 GLU 16 -7.822 11.667 -5.595 34 HG2 GLU 16 HG2 GLU 16 -6.569 13.610 -6.400 35 HG3 GLU 16 HG1 GLU 16 -6.548 12.945 -8.033 36 H GLN 17 HN GLN 17 -6.750 8.648 -7.167 37 HA GLN 17 HA GLN 17 -7.459 7.443 -4.666 38 HB2 GLN 17 HB2 GLN 17 -6.752 6.203 -7.339 39 HB3 GLN 17 HB1 GLN 17 -7.447 5.310 -5.987 40 HG2 GLN 17 HG2 GLN 17 -8.738 7.735 -7.271 41 HG3 GLN 17 HG1 GLN 17 -9.156 6.066 -7.661 42 HE21 GLN 17 HE21 GLN 17 -10.206 8.598 -5.801 43 HE22 GLN 17 HE22 GLN 17 -10.950 7.737 -4.542 44 H LYS 18 HN LYS 18 -4.505 7.285 -6.630 45 HA LYS 18 HA LYS 18 -3.144 5.327 -5.047 46 HB2 LYS 18 HB2 LYS 18 -2.149 7.545 -6.834 47 HB3 LYS 18 HB1 LYS 18 -1.064 6.393 -6.060 48 HG2 LYS 18 HG2 LYS 18 -2.385 4.538 -7.127 49 HG3 LYS 18 HG1 LYS 18 -3.297 5.761 -8.010 50 HD2 LYS 18 HD2 LYS 18 -0.276 5.576 -8.120 51 HD3 LYS 18 HD1 LYS 18 -1.321 4.740 -9.267 52 HE2 LYS 18 HE2 LYS 18 -2.387 7.024 -9.733 53 HE3 LYS 18 HE1 LYS 18 -1.034 7.721 -8.844 54 HZ1 LYS 18 HZ1 LYS 18 -0.764 7.527 -11.322 55 HZ2 LYS 18 HZ2 LYS 18 -0.650 5.846 -11.098 56 HZ3 LYS 18 HZ3 LYS 18 0.493 6.881 -10.385 57 H GLU 19 HN GLU 19 -3.237 8.877 -4.852 58 HA GLU 19 HA GLU 19 -1.272 9.143 -2.792 59 HB2 GLU 19 HB2 GLU 19 -3.639 10.870 -3.554 60 HB3 GLU 19 HB1 GLU 19 -2.436 11.351 -2.359 61 HG2 GLU 19 HG2 GLU 19 -0.660 11.184 -4.034 62 HG3 GLU 19 HG1 GLU 19 -1.816 10.601 -5.232 63 H LYS 20 HN LYS 20 -4.801 8.726 -2.645 64 HA LYS 20 HA LYS 20 -5.043 8.979 0.199 65 HB2 LYS 20 HB2 LYS 20 -6.716 7.467 -1.823 66 HB3 LYS 20 HB1 LYS 20 -7.181 7.689 -0.136 67 HG2 LYS 20 HG2 LYS 20 -7.089 10.144 -0.443 68 HG3 LYS 20 HG1 LYS 20 -6.652 9.908 -2.135 69 HD2 LYS 20 HD2 LYS 20 -8.770 8.769 -2.565 70 HD3 LYS 20 HD1 LYS 20 -9.204 8.881 -0.859 71 HE2 LYS 20 HE2 LYS 20 -10.323 10.661 -2.114 72 HE3 LYS 20 HE1 LYS 20 -9.126 11.360 -1.025 73 HZ1 LYS 20 HZ1 LYS 20 -8.509 10.708 -3.844 74 HZ2 LYS 20 HZ2 LYS 20 -7.634 11.703 -2.781 75 HZ3 LYS 20 HZ3 LYS 20 -9.138 12.213 -3.383 76 H VAL 21 HN VAL 21 -4.521 6.164 -1.900 77 HA VAL 21 HA VAL 21 -4.603 4.186 0.174 78 HB VAL 21 HB VAL 21 -3.203 4.208 -2.514 79 HG11 VAL 21 HG11 VAL 21 -2.090 2.537 -1.228 80 HG12 VAL 21 HG12 VAL 21 -3.301 1.668 -2.171 81 HG13 VAL 21 HG13 VAL 21 -3.593 2.015 -0.467 82 HG21 VAL 21 HG21 VAL 21 -5.737 2.787 -1.656 83 HG22 VAL 21 HG22 VAL 21 -5.118 2.985 -3.296 84 HG23 VAL 21 HG23 VAL 21 -5.739 4.380 -2.414 85 H THR 22 HN THR 22 -1.926 6.026 -1.263 86 HA THR 22 HA THR 22 0.199 4.771 0.161 87 HB THR 22 HB THR 22 -0.046 7.627 -0.828 88 HG1 THR 22 HG1 THR 22 -0.076 6.485 -2.612 89 HG21 THR 22 HG21 THR 22 2.281 6.007 0.203 90 HG22 THR 22 HG22 THR 22 1.786 7.637 0.663 91 HG23 THR 22 HG23 THR 22 2.521 7.350 -0.915 92 H LEU 23 HN LEU 23 -1.773 7.627 0.952 93 HA LEU 23 HA LEU 23 -0.439 8.254 3.394 94 HG LEU 23 HG LEU 23 -3.070 8.957 5.002 95 HB2 LEU 23 HB2 LEU 23 -1.987 9.827 2.301 96 HB3 LEU 23 HB1 LEU 23 -3.326 8.717 2.584 97 HD11 LEU 23 HD11 LEU 23 -1.420 10.892 5.705 98 HD12 LEU 23 HD12 LEU 23 -0.608 10.488 4.191 99 HD13 LEU 23 HD13 LEU 23 -0.798 9.265 5.448 100 HD21 LEU 23 HD21 LEU 23 -3.224 11.508 3.388 101 HD22 LEU 23 HD22 LEU 23 -3.462 11.504 5.136 102 HD23 LEU 23 HD23 LEU 23 -4.545 10.579 4.098 103 H TYR 24 HN TYR 24 -3.237 6.199 2.686 104 HA TYR 24 HA TYR 24 -3.894 5.498 5.365 105 HD1 TYR 24 HD2 TYR 24 -6.496 4.199 5.660 106 HD2 TYR 24 HD1 TYR 24 -3.721 1.758 3.471 107 HE1 TYR 24 HE2 TYR 24 -7.243 2.207 6.930 108 HE2 TYR 24 HE1 TYR 24 -4.468 -0.234 4.743 109 HH TYR 24 HH TYR 24 -6.709 -0.869 6.010 110 HB2 TYR 24 HB2 TYR 24 -5.428 4.993 3.569 111 HB3 TYR 24 HB1 TYR 24 -4.220 4.006 2.750 112 H LEU 25 HN LEU 25 -1.785 3.863 3.003 113 HA LEU 25 HA LEU 25 -0.989 1.732 4.747 114 HG LEU 25 HG LEU 25 -1.857 1.873 2.025 115 HB2 LEU 25 HB2 LEU 25 0.397 2.980 2.363 116 HB3 LEU 25 HB1 LEU 25 0.935 1.498 3.146 117 HD11 LEU 25 HD11 LEU 25 -0.206 2.059 0.211 118 HD12 LEU 25 HD12 LEU 25 -1.084 0.535 0.095 119 HD13 LEU 25 HD13 LEU 25 0.558 0.560 0.738 120 HD21 LEU 25 HD21 LEU 25 -0.306 -0.445 3.176 121 HD22 LEU 25 HD22 LEU 25 -1.574 -0.745 1.994 122 HD23 LEU 25 HD23 LEU 25 -1.962 0.057 3.513 123 H LYS 26 HN LYS 26 0.385 4.932 4.106 124 HA LYS 26 HA LYS 26 2.800 4.632 5.566 125 HB2 LYS 26 HB2 LYS 26 2.230 6.561 4.074 126 HB3 LYS 26 HB1 LYS 26 1.124 7.140 5.320 127 HG2 LYS 26 HG2 LYS 26 2.969 7.332 6.916 128 HG3 LYS 26 HG1 LYS 26 4.094 6.681 5.723 129 HD2 LYS 26 HD2 LYS 26 3.614 8.601 4.234 130 HD3 LYS 26 HD1 LYS 26 2.516 9.259 5.448 131 HE2 LYS 26 HE2 LYS 26 4.698 10.345 5.640 132 HE3 LYS 26 HE1 LYS 26 4.404 9.352 7.066 133 HZ1 LYS 26 HZ1 LYS 26 6.243 8.232 6.617 134 HZ2 LYS 26 HZ2 LYS 26 6.516 9.180 5.235 135 HZ3 LYS 26 HZ3 LYS 26 5.609 7.749 5.121 136 H HIS 27 HN HIS 27 -0.398 5.767 6.650 137 HA HIS 27 HA HIS 27 0.456 6.114 9.407 138 HD1 HIS 27 HD1 HIS 27 0.395 8.095 9.820 139 HD2 HIS 27 HD2 HIS 27 -2.876 8.615 7.292 140 HE1 HIS 27 HE1 HIS 27 0.390 10.536 9.150 141 HB2 HIS 27 HB2 HIS 27 -2.248 6.008 8.065 142 HB3 HIS 27 HB1 HIS 27 -2.061 6.232 9.803 143 H ASN 28 HN ASN 28 -1.015 3.524 7.536 144 HA ASN 28 HA ASN 28 -1.497 1.872 9.928 145 HB2 ASN 28 HB2 ASN 28 -1.799 1.320 6.964 146 HB3 ASN 28 HB1 ASN 28 -2.243 0.184 8.237 147 HD21 ASN 28 HD21 ASN 28 -3.607 1.599 10.091 148 HD22 ASN 28 HD22 ASN 28 -4.917 2.440 9.417 149 H ILE 29 HN ILE 29 1.176 2.640 8.109 150 HA ILE 29 HA ILE 29 2.600 0.219 9.059 151 HB ILE 29 HB ILE 29 2.886 1.171 6.201 152 HG12 ILE 29 HG12 ILE 29 1.282 -1.134 7.350 153 HG13 ILE 29 HG11 ILE 29 0.649 0.242 6.447 154 HG21 ILE 29 HG21 ILE 29 4.219 -0.813 5.932 155 HG22 ILE 29 HG22 ILE 29 3.728 -1.429 7.510 156 HG23 ILE 29 HG23 ILE 29 4.794 -0.028 7.402 157 HD11 ILE 29 HD11 ILE 29 2.427 -1.976 5.417 158 HD12 ILE 29 HD12 ILE 29 2.132 -0.488 4.517 159 HD13 ILE 29 HD13 ILE 29 0.794 -1.573 4.893 160 HA PRO 30 HA PRO 30 4.865 4.167 9.987 161 HB2 PRO 30 HB2 PRO 30 6.203 2.231 11.840 162 HB3 PRO 30 HB1 PRO 30 5.574 3.857 12.175 163 HG2 PRO 30 HG2 PRO 30 4.288 1.676 13.007 164 HG3 PRO 30 HG1 PRO 30 3.406 3.107 12.438 165 HD2 PRO 30 HD2 PRO 30 3.868 0.496 11.033 166 HD3 PRO 30 HD1 PRO 30 2.452 1.571 10.976 167 H ASP 31 HN ASP 31 6.004 0.912 9.314 168 HA ASP 31 HA ASP 31 8.719 1.798 8.622 169 HB2 ASP 31 HB2 ASP 31 7.307 -0.875 8.404 170 HB3 ASP 31 HB1 ASP 31 8.994 -0.618 7.959 171 H PHE 32 HN PHE 32 6.067 2.540 7.162 172 HA PHE 32 HA PHE 32 6.052 1.436 4.562 173 HD1 PHE 32 HD2 PHE 32 6.420 5.251 3.524 174 HD2 PHE 32 HD1 PHE 32 3.312 2.307 3.179 175 HE1 PHE 32 HE2 PHE 32 6.055 5.913 1.164 176 HE2 PHE 32 HE1 PHE 32 2.948 2.969 0.821 177 HZ PHE 32 HZ PHE 32 4.320 4.772 -0.188 178 HB2 PHE 32 HB2 PHE 32 4.238 2.834 5.314 179 HB3 PHE 32 HB1 PHE 32 5.317 4.207 5.534 180 H ASN 33 HN ASN 33 7.417 1.622 2.878 181 HA ASN 33 HA ASN 33 9.542 3.742 2.947 182 HB2 ASN 33 HB2 ASN 33 9.512 0.944 1.796 183 HB3 ASN 33 HB1 ASN 33 10.761 2.124 1.407 184 HD21 ASN 33 HD21 ASN 33 11.405 -0.298 2.773 185 HD22 ASN 33 HD22 ASN 33 11.885 0.089 4.356 186 H THR 34 HN THR 34 7.990 1.639 0.504 187 HA THR 34 HA THR 34 7.155 4.023 -1.029 188 HB THR 34 HB THR 34 9.420 3.686 -1.852 189 HG1 THR 34 HG1 THR 34 8.138 4.201 -3.509 190 HG21 THR 34 HG21 THR 34 8.608 0.855 -2.546 191 HG22 THR 34 HG22 THR 34 9.533 1.270 -1.102 192 HG23 THR 34 HG23 THR 34 10.207 1.581 -2.701 193 H VAL 35 HN VAL 35 5.707 3.451 -2.805 194 HA VAL 35 HA VAL 35 4.546 0.700 -2.598 195 HB VAL 35 HB VAL 35 3.065 2.144 -1.361 196 HG11 VAL 35 HG11 VAL 35 2.885 3.932 -3.798 197 HG12 VAL 35 HG12 VAL 35 3.959 4.273 -2.442 198 HG13 VAL 35 HG13 VAL 35 2.216 4.224 -2.193 199 HG21 VAL 35 HG21 VAL 35 1.844 1.922 -4.117 200 HG22 VAL 35 HG22 VAL 35 1.041 1.771 -2.554 201 HG23 VAL 35 HG23 VAL 35 2.136 0.505 -3.107 202 H THR 36 HN THR 36 4.122 -0.246 -4.526 203 HA THR 36 HA THR 36 4.313 1.444 -7.000 204 HB THR 36 HB THR 36 5.326 -1.388 -6.604 205 HG1 THR 36 HG1 THR 36 7.034 -0.390 -5.941 206 HG21 THR 36 HG21 THR 36 6.329 -0.936 -8.881 207 HG22 THR 36 HG22 THR 36 5.326 0.513 -8.959 208 HG23 THR 36 HG23 THR 36 4.571 -1.078 -8.868 209 H PHE 37 HN PHE 37 2.499 1.365 -8.164 210 HA PHE 37 HA PHE 37 0.511 -0.785 -7.651 211 HD1 PHE 37 HD2 PHE 37 -1.779 0.423 -6.496 212 HD2 PHE 37 HD1 PHE 37 1.183 3.313 -7.649 213 HE1 PHE 37 HE2 PHE 37 -2.079 1.591 -4.331 214 HE2 PHE 37 HE1 PHE 37 0.885 4.481 -5.478 215 HZ PHE 37 HZ PHE 37 -0.747 3.620 -3.822 216 HB2 PHE 37 HB2 PHE 37 0.268 1.771 -9.269 217 HB3 PHE 37 HB1 PHE 37 -1.051 0.674 -8.852 218 H THR 38 HN THR 38 -0.022 -2.271 -9.208 219 HA THR 38 HA THR 38 0.916 -1.898 -11.991 220 HB THR 38 HB THR 38 2.114 -3.983 -12.072 221 HG1 THR 38 HG1 THR 38 2.034 -5.437 -10.465 222 HG21 THR 38 HG21 THR 38 3.950 -3.569 -10.565 223 HG22 THR 38 HG22 THR 38 2.909 -2.660 -9.469 224 HG23 THR 38 HG23 THR 38 3.301 -2.005 -11.059 225 H ASN 39 HN ASN 39 -0.903 -3.781 -9.589 226 HA ASN 39 HA ASN 39 -2.587 -4.914 -11.786 227 HB2 ASN 39 HB2 ASN 39 -2.210 -5.663 -8.887 228 HB3 ASN 39 HB1 ASN 39 -3.494 -6.345 -9.887 229 HD21 ASN 39 HD21 ASN 39 -1.353 -7.956 -8.803 230 HD22 ASN 39 HD22 ASN 39 -0.422 -8.526 -10.102 231 H GLU 40 HN GLU 40 -4.811 -4.569 -11.828 232 HA GLU 40 HA GLU 40 -6.239 -3.215 -9.721 233 HB2 GLU 40 HB2 GLU 40 -6.721 -1.116 -10.981 234 HB3 GLU 40 HB1 GLU 40 -5.031 -1.252 -10.503 235 HG2 GLU 40 HG2 GLU 40 -4.922 -0.563 -12.758 236 HG3 GLU 40 HG1 GLU 40 -4.656 -2.302 -12.841 237 H GLU 41 HN GLU 41 -8.459 -3.321 -10.072 238 HA GLU 41 HA GLU 41 -9.417 -4.209 -12.750 239 HB2 GLU 41 HB2 GLU 41 -9.050 -6.241 -11.374 240 HB3 GLU 41 HB1 GLU 41 -10.121 -5.581 -10.136 241 HG2 GLU 41 HG2 GLU 41 -11.983 -5.542 -11.725 242 HG3 GLU 41 HG1 GLU 41 -10.921 -6.115 -13.012 243 H PHE 42 HN PHE 42 -11.646 -3.713 -13.119 244 HA PHE 42 HA PHE 42 -12.615 -1.442 -11.491 245 HD1 PHE 42 HD1 PHE 42 -12.753 0.822 -13.210 246 HD2 PHE 42 HD2 PHE 42 -11.594 -2.785 -15.232 247 HE1 PHE 42 HE1 PHE 42 -10.926 2.051 -14.349 248 HE2 PHE 42 HE2 PHE 42 -9.766 -1.556 -16.375 249 HZ PHE 42 HZ PHE 42 -9.433 0.862 -15.933 250 HB2 PHE 42 HB2 PHE 42 -13.701 -2.650 -14.048 251 HB3 PHE 42 HB1 PHE 42 -14.243 -1.142 -13.308 252 H ASN 43 HN ASN 43 -13.969 -1.809 -9.853 253 HA ASN 43 HA ASN 43 -15.453 -4.345 -9.730 254 HB2 ASN 43 HB2 ASN 43 -14.514 -2.319 -7.805 255 HB3 ASN 43 HB1 ASN 43 -16.143 -2.887 -7.455 256 HD21 ASN 43 HD21 ASN 43 -13.642 -4.866 -9.020 257 HD22 ASN 43 HD22 ASN 43 -13.482 -5.975 -7.745 258 HA PRO 44 HA PRO 44 -19.390 -2.716 -10.932 259 HB2 PRO 44 HB2 PRO 44 -21.060 -4.038 -9.168 260 HB3 PRO 44 HB1 PRO 44 -20.306 -4.817 -10.571 261 HG2 PRO 44 HG2 PRO 44 -19.483 -4.887 -7.701 262 HG3 PRO 44 HG1 PRO 44 -19.484 -6.189 -8.906 263 HD2 PRO 44 HD2 PRO 44 -17.210 -4.859 -8.196 264 HD3 PRO 44 HD1 PRO 44 -17.463 -5.515 -9.831 265 H ILE 45 HN ILE 45 -18.410 -2.557 -7.593 266 HA ILE 45 HA ILE 45 -20.329 -0.343 -7.032 267 HB ILE 45 HB ILE 45 -20.208 -2.279 -5.449 268 HG12 ILE 45 HG12 ILE 45 -19.117 0.240 -4.179 269 HG13 ILE 45 HG11 ILE 45 -20.777 0.109 -4.764 270 HG21 ILE 45 HG21 ILE 45 -17.424 -1.242 -4.840 271 HG22 ILE 45 HG22 ILE 45 -17.756 -2.693 -5.786 272 HG23 ILE 45 HG23 ILE 45 -18.232 -2.619 -4.092 273 HD11 ILE 45 HD11 ILE 45 -20.783 -0.435 -2.407 274 HD12 ILE 45 HD12 ILE 45 -19.460 -1.580 -2.618 275 HD13 ILE 45 HD13 ILE 45 -21.048 -1.931 -3.302 276 H GLY 46 HN GLY 46 -17.164 -0.899 -8.028 277 HA2 GLY 46 HA2 GLY 46 -16.405 1.796 -8.136 278 HA3 GLY 46 HA1 GLY 46 -15.799 1.195 -6.592 279 H ILE 47 HN ILE 47 -13.609 1.228 -7.121 280 HA ILE 47 HA ILE 47 -12.741 -0.707 -9.241 281 HB ILE 47 HB ILE 47 -10.756 0.712 -9.597 282 HG12 ILE 47 HG12 ILE 47 -12.187 2.733 -7.837 283 HG13 ILE 47 HG11 ILE 47 -10.783 1.796 -7.327 284 HG21 ILE 47 HG21 ILE 47 -13.241 2.398 -9.903 285 HG22 ILE 47 HG22 ILE 47 -12.958 0.958 -10.883 286 HG23 ILE 47 HG23 ILE 47 -11.837 2.317 -10.966 287 HD11 ILE 47 HD11 ILE 47 -10.935 3.871 -9.518 288 HD12 ILE 47 HD12 ILE 47 -9.597 2.728 -9.403 289 HD13 ILE 47 HD13 ILE 47 -9.896 3.867 -8.092 290 H SER 48 HN SER 48 -10.851 -1.894 -8.769 291 HA SER 48 HA SER 48 -10.127 -1.973 -5.858 292 HG SER 48 HG SER 48 -11.792 -4.847 -6.106 293 HB2 SER 48 HB2 SER 48 -10.151 -4.230 -7.879 294 HB3 SER 48 HB1 SER 48 -9.701 -4.369 -6.182 295 H ILE 49 HN ILE 49 -8.049 -1.541 -5.438 296 HA ILE 49 HA ILE 49 -6.079 -1.606 -7.695 297 HB ILE 49 HB ILE 49 -6.127 0.054 -5.162 298 HG12 ILE 49 HG12 ILE 49 -6.247 0.897 -8.072 299 HG13 ILE 49 HG11 ILE 49 -7.681 0.676 -7.069 300 HG21 ILE 49 HG21 ILE 49 -4.126 1.154 -6.340 301 HG22 ILE 49 HG22 ILE 49 -4.070 -0.289 -7.352 302 HG23 ILE 49 HG23 ILE 49 -3.836 -0.424 -5.609 303 HD11 ILE 49 HD11 ILE 49 -6.805 3.060 -7.206 304 HD12 ILE 49 HD12 ILE 49 -5.404 2.509 -6.287 305 HD13 ILE 49 HD13 ILE 49 -7.015 2.425 -5.574 306 H ASP 50 HN ASP 50 -4.423 -2.983 -7.529 307 HA ASP 50 HA ASP 50 -3.765 -4.181 -4.863 308 HB2 ASP 50 HB2 ASP 50 -5.052 -5.827 -6.079 309 HB3 ASP 50 HB1 ASP 50 -4.094 -5.571 -7.535 310 H GLY 51 HN GLY 51 -1.656 -3.925 -4.387 311 HA2 GLY 51 HA2 GLY 51 0.379 -3.999 -6.524 312 HA3 GLY 51 HA1 GLY 51 0.234 -2.471 -5.655 313 H TYR 52 HN TYR 52 2.484 -2.935 -4.987 314 HA TYR 52 HA TYR 52 2.481 -4.493 -2.454 315 HD1 TYR 52 HD1 TYR 52 6.300 -3.869 -4.140 316 HD2 TYR 52 HD2 TYR 52 3.085 -5.665 -6.354 317 HE1 TYR 52 HE1 TYR 52 7.382 -3.192 -6.268 318 HE2 TYR 52 HE2 TYR 52 4.168 -4.986 -8.478 319 HH TYR 52 HH TYR 52 5.855 -3.897 -9.415 320 HB2 TYR 52 HB2 TYR 52 4.718 -5.473 -3.087 321 HB3 TYR 52 HB1 TYR 52 3.352 -6.114 -3.995 322 H ILE 53 HN ILE 53 4.344 -3.963 -1.085 323 HA ILE 53 HA ILE 53 5.418 -1.219 -1.666 324 HB ILE 53 HB ILE 53 5.396 -0.847 0.778 325 HG12 ILE 53 HG12 ILE 53 3.861 -3.465 0.889 326 HG13 ILE 53 HG11 ILE 53 5.541 -3.287 1.394 327 HG21 ILE 53 HG21 ILE 53 3.478 -0.163 -0.649 328 HG22 ILE 53 HG22 ILE 53 2.976 -0.579 0.991 329 HG23 ILE 53 HG23 ILE 53 2.711 -1.719 -0.328 330 HD11 ILE 53 HD11 ILE 53 4.265 -3.058 3.390 331 HD12 ILE 53 HD12 ILE 53 3.089 -2.003 2.606 332 HD13 ILE 53 HD13 ILE 53 4.717 -1.413 2.940 333 H ASN 54 HN ASN 54 7.424 -0.723 -0.434 334 HA ASN 54 HA ASN 54 9.680 -1.141 -0.049 335 HB2 ASN 54 HB2 ASN 54 8.493 -3.746 0.947 336 HB3 ASN 54 HB1 ASN 54 10.206 -3.367 1.073 337 HD21 ASN 54 HD21 ASN 54 7.068 -2.758 2.472 338 HD22 ASN 54 HD22 ASN 54 7.589 -1.660 3.658 339 H ASN 55 HN ASN 55 8.540 -1.662 -2.665 340 HA ASN 55 HA ASN 55 9.059 -2.731 -4.689 341 HB2 ASN 55 HB2 ASN 55 11.740 -2.546 -3.294 342 HB3 ASN 55 HB1 ASN 55 11.571 -3.093 -4.963 343 HD21 ASN 55 HD21 ASN 55 12.766 -0.510 -3.802 344 HD22 ASN 55 HD22 ASN 55 11.963 0.730 -4.638 345 H ASP 56 HN ASP 56 8.152 -4.479 -2.525 346 HA ASP 56 HA ASP 56 9.470 -7.028 -3.402 347 HB2 ASP 56 HB2 ASP 56 8.495 -6.218 -0.651 348 HB3 ASP 56 HB1 ASP 56 8.861 -7.887 -1.094 349 H LYS 57 HN LYS 57 7.958 -7.778 -4.833 350 HA LYS 57 HA LYS 57 5.165 -7.355 -4.746 351 HB2 LYS 57 HB2 LYS 57 6.812 -9.606 -5.900 352 HB3 LYS 57 HB1 LYS 57 5.066 -9.511 -6.117 353 HG2 LYS 57 HG2 LYS 57 5.366 -7.227 -7.104 354 HG3 LYS 57 HG1 LYS 57 7.110 -7.449 -6.997 355 HD2 LYS 57 HD2 LYS 57 5.323 -9.413 -8.452 356 HD3 LYS 57 HD1 LYS 57 6.022 -8.011 -9.261 357 HE2 LYS 57 HE2 LYS 57 8.295 -8.836 -8.419 358 HE3 LYS 57 HE1 LYS 57 7.478 -10.339 -7.992 359 HZ1 LYS 57 HZ1 LYS 57 6.781 -9.536 -10.616 360 HZ2 LYS 57 HZ2 LYS 57 7.512 -10.979 -10.094 361 HZ3 LYS 57 HZ3 LYS 57 8.468 -9.624 -10.464 362 H ASN 58 HN ASN 58 7.144 -9.326 -2.761 363 HA ASN 58 HA ASN 58 5.263 -11.362 -2.022 364 HB2 ASN 58 HB2 ASN 58 7.628 -10.120 -0.608 365 HB3 ASN 58 HB1 ASN 58 6.663 -11.393 0.139 366 HD21 ASN 58 HD21 ASN 58 6.131 -12.872 -2.346 367 HD22 ASN 58 HD22 ASN 58 7.601 -13.569 -2.826 368 H LEU 59 HN LEU 59 5.868 -8.092 -0.839 369 HA LEU 59 HA LEU 59 3.759 -8.328 1.219 370 HG LEU 59 HG LEU 59 6.926 -7.583 0.985 371 HB2 LEU 59 HB2 LEU 59 5.319 -5.867 0.381 372 HB3 LEU 59 HB1 LEU 59 4.438 -6.110 1.887 373 HD11 LEU 59 HD11 LEU 59 6.574 -5.979 3.516 374 HD12 LEU 59 HD12 LEU 59 7.016 -5.191 2.004 375 HD13 LEU 59 HD13 LEU 59 8.066 -6.430 2.690 376 HD21 LEU 59 HD21 LEU 59 6.699 -8.549 3.392 377 HD22 LEU 59 HD22 LEU 59 5.684 -9.233 2.127 378 HD23 LEU 59 HD23 LEU 59 5.007 -8.069 3.266 379 H SER 60 HN SER 60 2.160 -8.815 -0.550 380 HA SER 60 HA SER 60 1.392 -6.552 -2.260 381 HG SER 60 HG SER 60 2.248 -9.259 -2.825 382 HB2 SER 60 HB2 SER 60 0.170 -9.292 -1.901 383 HB3 SER 60 HB1 SER 60 -0.336 -8.111 -3.104 384 H PHE 61 HN PHE 61 -0.714 -5.600 -2.221 385 HA PHE 61 HA PHE 61 -2.385 -6.030 0.185 386 HD1 PHE 61 HD1 PHE 61 -3.161 -2.211 -1.059 387 HD2 PHE 61 HD2 PHE 61 0.912 -3.569 -0.854 388 HE1 PHE 61 HE1 PHE 61 -2.501 -0.486 -2.715 389 HE2 PHE 61 HE2 PHE 61 1.568 -1.844 -2.511 390 HZ PHE 61 HZ PHE 61 -0.137 -0.302 -3.440 391 HB2 PHE 61 HB2 PHE 61 -2.376 -3.664 0.782 392 HB3 PHE 61 HB1 PHE 61 -0.721 -4.276 0.804 393 H THR 62 HN THR 62 -4.501 -4.991 -0.038 394 HA THR 62 HA THR 62 -5.176 -4.138 -2.824 395 HB THR 62 HB THR 62 -6.783 -6.092 -1.155 396 HG1 THR 62 HG1 THR 62 -5.384 -6.487 -3.585 397 HG21 THR 62 HG21 THR 62 -8.308 -4.853 -2.472 398 HG22 THR 62 HG22 THR 62 -7.983 -6.298 -3.429 399 HG23 THR 62 HG23 THR 62 -7.196 -4.775 -3.840 400 H ALA 63 HN ALA 63 -6.553 -2.437 -2.916 401 HA ALA 63 HA ALA 63 -7.970 -1.600 -0.415 402 HB1 ALA 63 HB1 ALA 63 -7.409 0.768 -1.043 403 HB2 ALA 63 HB2 ALA 63 -6.328 0.133 -2.284 404 HB3 ALA 63 HB3 ALA 63 -6.002 -0.188 -0.581 405 H GLY 64 HN GLY 64 -10.003 -0.801 -0.758 406 HA2 GLY 64 HA2 GLY 64 -11.084 -1.074 -3.517 407 HA3 GLY 64 HA1 GLY 64 -12.036 -1.047 -2.036 408 H LYS 65 HN LYS 65 -11.171 0.726 -4.685 409 HA LYS 65 HA LYS 65 -10.976 3.076 -5.106 410 HB2 LYS 65 HB2 LYS 65 -13.306 2.325 -5.496 411 HB3 LYS 65 HB1 LYS 65 -13.709 2.756 -3.837 412 HG2 LYS 65 HG2 LYS 65 -13.101 5.105 -4.282 413 HG3 LYS 65 HG1 LYS 65 -12.643 4.677 -5.930 414 HD2 LYS 65 HD2 LYS 65 -14.955 3.951 -6.383 415 HD3 LYS 65 HD1 LYS 65 -15.414 4.388 -4.737 416 HE2 LYS 65 HE2 LYS 65 -14.769 6.727 -5.171 417 HE3 LYS 65 HE1 LYS 65 -14.299 6.297 -6.815 418 HZ1 LYS 65 HZ1 LYS 65 -16.923 6.713 -5.699 419 HZ2 LYS 65 HZ2 LYS 65 -16.796 5.306 -6.644 420 HZ3 LYS 65 HZ3 LYS 65 -16.399 6.819 -7.309 421 H ASP 66 HN ASP 66 -13.185 3.726 -2.503 422 HA ASP 66 HA ASP 66 -11.277 5.644 -1.360 423 HB2 ASP 66 HB2 ASP 66 -13.206 6.316 0.048 424 HB3 ASP 66 HB1 ASP 66 -13.615 6.312 -1.666 425 H VAL 67 HN VAL 67 -10.356 3.062 -1.052 426 HA VAL 67 HA VAL 67 -9.623 1.526 0.544 427 HB VAL 67 HB VAL 67 -10.078 3.648 2.638 428 HG11 VAL 67 HG11 VAL 67 -7.947 2.816 3.476 429 HG12 VAL 67 HG12 VAL 67 -7.732 1.818 2.037 430 HG13 VAL 67 HG13 VAL 67 -9.014 1.440 3.188 431 HG21 VAL 67 HG21 VAL 67 -8.124 3.703 0.326 432 HG22 VAL 67 HG22 VAL 67 -7.867 4.626 1.807 433 HG23 VAL 67 HG23 VAL 67 -9.274 4.954 0.795 434 H LYS 68 HN LYS 68 -12.453 1.504 -0.013 435 HA LYS 68 HA LYS 68 -14.047 1.308 2.356 436 HB2 LYS 68 HB2 LYS 68 -14.925 1.375 0.012 437 HB3 LYS 68 HB1 LYS 68 -14.331 -0.270 -0.212 438 HG2 LYS 68 HG2 LYS 68 -15.754 -1.042 1.648 439 HG3 LYS 68 HG1 LYS 68 -16.363 0.596 1.866 440 HD2 LYS 68 HD2 LYS 68 -16.576 -0.816 -0.797 441 HD3 LYS 68 HD1 LYS 68 -17.797 -1.036 0.454 442 HE2 LYS 68 HE2 LYS 68 -18.028 1.494 0.530 443 HE3 LYS 68 HE1 LYS 68 -17.009 1.556 -0.907 444 HZ1 LYS 68 HZ1 LYS 68 -18.622 0.001 -1.959 445 HZ2 LYS 68 HZ2 LYS 68 -19.240 1.548 -1.627 446 HZ3 LYS 68 HZ3 LYS 68 -19.643 0.237 -0.625 447 H ILE 69 HN ILE 69 -12.098 -1.061 0.574 448 HA ILE 69 HA ILE 69 -12.264 -2.865 2.956 449 HB ILE 69 HB ILE 69 -13.588 -3.628 0.877 450 HG12 ILE 69 HG12 ILE 69 -12.664 -5.983 1.114 451 HG13 ILE 69 HG11 ILE 69 -11.380 -5.304 2.109 452 HG21 ILE 69 HG21 ILE 69 -12.403 -4.468 -0.994 453 HG22 ILE 69 HG22 ILE 69 -10.853 -4.385 -0.156 454 HG23 ILE 69 HG23 ILE 69 -11.660 -2.903 -0.666 455 HD11 ILE 69 HD11 ILE 69 -14.178 -4.572 2.876 456 HD12 ILE 69 HD12 ILE 69 -12.779 -4.915 3.894 457 HD13 ILE 69 HD13 ILE 69 -13.681 -6.239 3.164 458 H PHE 70 HN PHE 70 -10.341 -3.625 3.678 459 HA PHE 70 HA PHE 70 -7.905 -3.082 2.016 460 HD1 PHE 70 HD1 PHE 70 -5.914 -1.776 2.240 461 HD2 PHE 70 HD2 PHE 70 -6.384 -3.500 6.146 462 HE1 PHE 70 HE1 PHE 70 -3.458 -2.032 2.424 463 HE2 PHE 70 HE2 PHE 70 -3.924 -3.753 6.330 464 HZ PHE 70 HZ PHE 70 -2.460 -3.017 4.468 465 HB2 PHE 70 HB2 PHE 70 -8.040 -1.439 3.808 466 HB3 PHE 70 HB1 PHE 70 -8.273 -2.719 5.000 467 H SER 71 HN SER 71 -6.643 -4.817 1.724 468 HA SER 71 HA SER 71 -6.763 -7.077 3.671 469 HG SER 71 HG SER 71 -6.248 -9.052 2.662 470 HB2 SER 71 HB2 SER 71 -8.237 -7.461 1.593 471 HB3 SER 71 HB1 SER 71 -6.731 -7.530 0.682 472 H SER 72 HN SER 72 -4.807 -8.266 3.787 473 HA SER 72 HA SER 72 -2.524 -7.266 2.147 474 HG SER 72 HG SER 72 -3.762 -7.577 5.286 475 HB2 SER 72 HB2 SER 72 -1.158 -7.280 4.281 476 HB3 SER 72 HB1 SER 72 -2.330 -5.975 4.149 477 H SER 73 HN SER 73 -0.712 -8.713 2.104 478 HA SER 73 HA SER 73 -1.516 -11.504 2.068 479 HG SER 73 HG SER 73 1.419 -9.253 1.652 480 HB2 SER 73 HB2 SER 73 0.695 -11.916 1.185 481 HB3 SER 73 HB1 SER 73 0.075 -10.444 0.444 482 H GLU 74 HN GLU 74 0.012 -13.172 3.069 483 HA GLU 74 HA GLU 74 -0.109 -13.035 5.901 484 HB2 GLU 74 HB2 GLU 74 1.605 -14.752 4.083 485 HB3 GLU 74 HB1 GLU 74 1.393 -15.043 5.808 486 HG2 GLU 74 HG2 GLU 74 -0.866 -14.952 3.784 487 HG3 GLU 74 HG1 GLU 74 -0.134 -16.432 4.402 488 H GLU 75 HN GLU 75 2.596 -12.394 3.674 489 HA GLU 75 HA GLU 75 4.545 -11.949 5.753 490 HB2 GLU 75 HB2 GLU 75 4.415 -11.035 2.872 491 HB3 GLU 75 HB1 GLU 75 5.825 -10.808 3.905 492 HG2 GLU 75 HG2 GLU 75 4.563 -13.497 3.289 493 HG3 GLU 75 HG1 GLU 75 5.977 -12.845 2.460 494 H LEU 76 HN LEU 76 2.616 -9.732 3.749 495 HA LEU 76 HA LEU 76 3.537 -7.319 4.972 496 HG LEU 76 HG LEU 76 0.637 -5.949 4.907 497 HB2 LEU 76 HB2 LEU 76 2.392 -7.292 2.821 498 HB3 LEU 76 HB1 LEU 76 0.942 -7.974 3.548 499 HD11 LEU 76 HD11 LEU 76 2.802 -5.156 5.370 500 HD12 LEU 76 HD12 LEU 76 2.179 -3.964 4.235 501 HD13 LEU 76 HD13 LEU 76 3.289 -5.211 3.678 502 HD21 LEU 76 HD21 LEU 76 -0.200 -6.093 2.507 503 HD22 LEU 76 HD22 LEU 76 1.205 -5.134 2.045 504 HD23 LEU 76 HD23 LEU 76 -0.004 -4.458 3.136 505 H ASP 77 HN ASP 77 1.295 -9.734 5.983 506 HA ASP 77 HA ASP 77 -0.351 -8.228 7.757 507 HB2 ASP 77 HB2 ASP 77 -0.664 -10.644 7.013 508 HB3 ASP 77 HB1 ASP 77 0.579 -11.071 8.188 509 H LYS 78 HN LYS 78 2.845 -9.695 8.186 510 HA LYS 78 HA LYS 78 3.024 -9.396 11.018 511 HB2 LYS 78 HB2 LYS 78 5.168 -9.371 8.885 512 HB3 LYS 78 HB1 LYS 78 5.506 -9.445 10.614 513 HG2 LYS 78 HG2 LYS 78 4.035 -11.506 10.710 514 HG3 LYS 78 HG1 LYS 78 3.996 -11.474 8.948 515 HD2 LYS 78 HD2 LYS 78 6.556 -11.555 10.571 516 HD3 LYS 78 HD1 LYS 78 5.774 -12.988 9.910 517 HE2 LYS 78 HE2 LYS 78 5.897 -11.800 7.633 518 HE3 LYS 78 HE1 LYS 78 7.017 -10.683 8.406 519 HZ1 LYS 78 HZ1 LYS 78 7.589 -13.170 7.346 520 HZ2 LYS 78 HZ2 LYS 78 7.709 -13.348 9.032 521 HZ3 LYS 78 HZ3 LYS 78 8.629 -12.164 8.231 522 H MET 79 HN MET 79 4.030 -7.193 8.397 523 HA MET 79 HA MET 79 5.047 -5.167 10.178 524 HB2 MET 79 HB2 MET 79 4.072 -5.018 7.314 525 HB3 MET 79 HB1 MET 79 4.874 -3.692 8.156 526 HG2 MET 79 HG2 MET 79 6.877 -5.035 8.469 527 HG3 MET 79 HG1 MET 79 6.076 -6.451 7.791 528 HE1 MET 79 HE1 MET 79 5.999 -2.585 6.444 529 HE2 MET 79 HE2 MET 79 7.586 -2.695 5.686 530 HE3 MET 79 HE3 MET 79 7.417 -3.018 7.410 531 H PHE 80 HN PHE 80 1.891 -5.747 8.675 532 HA PHE 80 HA PHE 80 0.743 -3.258 9.641 533 HD1 PHE 80 HD1 PHE 80 -1.529 -2.228 8.296 534 HD2 PHE 80 HD2 PHE 80 -2.400 -6.085 9.974 535 HE1 PHE 80 HE1 PHE 80 -3.742 -1.401 9.056 536 HE2 PHE 80 HE2 PHE 80 -4.611 -5.256 10.731 537 HZ PHE 80 HZ PHE 80 -5.281 -2.913 10.274 538 HB2 PHE 80 HB2 PHE 80 -0.225 -4.277 7.677 539 HB3 PHE 80 HB1 PHE 80 -0.502 -5.790 8.538 540 H GLN 81 HN GLN 81 0.225 -2.882 11.703 541 HA GLN 81 HA GLN 81 -0.980 -5.048 13.346 542 HB2 GLN 81 HB2 GLN 81 1.396 -3.340 14.169 543 HB3 GLN 81 HB1 GLN 81 0.476 -4.358 15.275 544 HG2 GLN 81 HG2 GLN 81 1.940 -5.356 12.811 545 HG3 GLN 81 HG1 GLN 81 2.540 -5.484 14.462 546 HE21 GLN 81 HE21 GLN 81 1.161 -7.389 12.202 547 HE22 GLN 81 HE22 GLN 81 0.214 -8.400 13.183 548 H GLU 82 HN GLU 82 -1.172 -2.037 12.075 549 HA GLU 82 HA GLU 82 -2.471 -0.834 14.464 550 HB2 GLU 82 HB2 GLU 82 -1.472 0.329 11.877 551 HB3 GLU 82 HB1 GLU 82 -2.525 1.233 12.968 552 HG2 GLU 82 HG2 GLU 82 -0.952 1.086 14.765 553 HG3 GLU 82 HG1 GLU 82 0.025 -0.101 13.902 554 HA PRO 83 HA PRO 83 -6.504 -2.095 12.912 555 HB2 PRO 83 HB2 PRO 83 -7.366 0.524 14.092 556 HB3 PRO 83 HB1 PRO 83 -8.048 -1.098 14.327 557 HG2 PRO 83 HG2 PRO 83 -6.504 0.091 16.180 558 HG3 PRO 83 HG1 PRO 83 -6.506 -1.663 15.925 559 HD2 PRO 83 HD2 PRO 83 -4.407 0.323 15.224 560 HD3 PRO 83 HD1 PRO 83 -4.273 -1.425 15.528 561 H ARG 84 HN ARG 84 -7.662 -1.717 11.069 562 HA ARG 84 HA ARG 84 -6.727 0.339 9.243 563 HE ARG 84 HE ARG 84 -11.976 -3.189 8.317 564 HB2 ARG 84 HB2 ARG 84 -8.373 -0.646 7.682 565 HB3 ARG 84 HB1 ARG 84 -7.355 -1.883 8.417 566 HG2 ARG 84 HG2 ARG 84 -9.141 -2.358 10.070 567 HG3 ARG 84 HG1 ARG 84 -10.162 -1.139 9.307 568 HD2 ARG 84 HD2 ARG 84 -10.045 -2.403 7.173 569 HD3 ARG 84 HD1 ARG 84 -9.088 -3.644 7.976 570 HH11 ARG 84 HH21 ARG 84 -9.060 -4.646 9.461 571 HH12 ARG 84 HH22 ARG 84 -9.879 -5.871 10.369 572 HH21 ARG 84 HH11 ARG 84 -13.048 -4.779 9.493 573 HH22 ARG 84 HH12 ARG 84 -12.135 -5.947 10.389 574 H LYS 85 HN LYS 85 -7.764 2.196 8.623 575 HA LYS 85 HA LYS 85 -10.454 2.781 9.766 576 HB2 LYS 85 HB2 LYS 85 -7.988 4.511 9.996 577 HB3 LYS 85 HB1 LYS 85 -9.621 5.095 10.310 578 HG2 LYS 85 HG2 LYS 85 -9.904 3.295 12.013 579 HG3 LYS 85 HG1 LYS 85 -8.227 2.819 11.752 580 HD2 LYS 85 HD2 LYS 85 -8.984 5.644 12.514 581 HD3 LYS 85 HD1 LYS 85 -8.691 4.403 13.730 582 HE2 LYS 85 HE2 LYS 85 -6.434 4.009 12.615 583 HE3 LYS 85 HE1 LYS 85 -6.741 5.462 11.669 584 HZ1 LYS 85 HZ1 LYS 85 -6.888 5.444 14.620 585 HZ2 LYS 85 HZ2 LYS 85 -6.779 6.782 13.580 586 HZ3 LYS 85 HZ3 LYS 85 -5.444 5.753 13.788 587 H GLY 86 HN GLY 86 -11.681 4.198 8.536 588 HA2 GLY 86 HA2 GLY 86 -11.331 4.147 5.732 589 HA3 GLY 86 HA1 GLY 86 -12.432 5.227 6.583 590 H TYR 87 HN TYR 87 -11.020 5.992 4.273 591 HA TYR 87 HA TYR 87 -8.608 7.427 4.786 592 HD1 TYR 87 HD1 TYR 87 -7.057 8.067 2.821 593 HD2 TYR 87 HD2 TYR 87 -10.704 10.283 2.326 594 HE1 TYR 87 HE1 TYR 87 -5.753 10.070 2.163 595 HE2 TYR 87 HE2 TYR 87 -9.397 12.286 1.672 596 HH TYR 87 HH TYR 87 -6.699 12.439 0.557 597 HB2 TYR 87 HB2 TYR 87 -9.360 6.951 2.507 598 HB3 TYR 87 HB1 TYR 87 -10.791 7.955 2.751 599 H ASP 88 HN ASP 88 -12.022 8.403 4.936 600 HA ASP 88 HA ASP 88 -11.486 11.148 5.615 601 HB2 ASP 88 HB2 ASP 88 -13.877 11.175 6.343 602 HB3 ASP 88 HB1 ASP 88 -13.658 10.519 4.722 603 H GLU 89 HN GLU 89 -11.791 8.199 7.483 604 HA GLU 89 HA GLU 89 -12.112 9.375 10.078 605 HB2 GLU 89 HB2 GLU 89 -10.810 6.776 9.225 606 HB3 GLU 89 HB1 GLU 89 -11.234 7.182 10.888 607 HG2 GLU 89 HG2 GLU 89 -13.206 7.060 8.588 608 HG3 GLU 89 HG1 GLU 89 -12.963 5.772 9.767 609 H ILE 90 HN ILE 90 -9.196 8.270 8.347 610 HA ILE 90 HA ILE 90 -7.354 9.152 10.386 611 HB ILE 90 HB ILE 90 -5.642 8.897 8.556 612 HG12 ILE 90 HG12 ILE 90 -8.058 8.122 6.905 613 HG13 ILE 90 HG11 ILE 90 -7.153 9.614 6.700 614 HG21 ILE 90 HG21 ILE 90 -6.344 6.971 9.940 615 HG22 ILE 90 HG22 ILE 90 -5.961 6.470 8.295 616 HG23 ILE 90 HG23 ILE 90 -7.644 6.632 8.798 617 HD11 ILE 90 HD11 ILE 90 -6.216 6.795 6.204 618 HD12 ILE 90 HD12 ILE 90 -5.080 8.130 6.405 619 HD13 ILE 90 HD13 ILE 90 -6.244 8.153 5.080 620 H LEU 91 HN LEU 91 -8.690 10.632 7.471 621 HA LEU 91 HA LEU 91 -7.045 12.962 7.435 622 HG LEU 91 HG LEU 91 -9.253 14.987 6.654 623 HB2 LEU 91 HB2 LEU 91 -8.483 12.268 5.538 624 HB3 LEU 91 HB1 LEU 91 -9.911 12.613 6.507 625 HD11 LEU 91 HD11 LEU 91 -6.920 15.084 6.533 626 HD12 LEU 91 HD12 LEU 91 -7.369 15.620 4.919 627 HD13 LEU 91 HD13 LEU 91 -6.838 13.958 5.177 628 HD21 LEU 91 HD21 LEU 91 -10.644 14.088 4.732 629 HD22 LEU 91 HD22 LEU 91 -9.165 14.048 3.771 630 HD23 LEU 91 HD23 LEU 91 -9.782 15.586 4.376 631 H GLU 92 HN GLU 92 -10.150 12.270 9.017 632 HA GLU 92 HA GLU 92 -10.281 14.949 10.205 633 HB2 GLU 92 HB2 GLU 92 -12.339 13.683 9.568 634 HB3 GLU 92 HB1 GLU 92 -11.942 12.479 10.794 635 HG2 GLU 92 HG2 GLU 92 -12.087 14.158 12.552 636 HG3 GLU 92 HG1 GLU 92 -12.365 15.426 11.360 637 H HIS 93 HN HIS 93 -8.905 11.900 10.964 638 HA HIS 93 HA HIS 93 -7.604 11.192 12.773 639 HD1 HIS 93 HD1 HIS 93 -5.175 12.281 11.925 640 HD2 HIS 93 HD2 HIS 93 -7.498 15.744 11.901 641 HE1 HIS 93 HE1 HIS 93 -4.297 13.720 10.034 642 HB2 HIS 93 HB2 HIS 93 -7.914 13.949 13.985 643 HB3 HIS 93 HB1 HIS 93 -6.595 12.804 14.195 644 H HIS 94 HN HIS 94 -10.406 13.187 13.638 645 HA HIS 94 HA HIS 94 -11.853 13.051 15.488 646 HD1 HIS 94 HD1 HIS 94 -12.833 9.056 16.684 647 HD2 HIS 94 HD2 HIS 94 -14.713 12.634 15.659 648 HE1 HIS 94 HE1 HIS 94 -14.850 9.266 18.201 649 HB2 HIS 94 HB2 HIS 94 -12.706 11.373 13.854 650 HB3 HIS 94 HB1 HIS 94 -11.764 10.129 14.678 651 H HIS 95 HN HIS 95 -10.346 13.557 17.159 652 HA HIS 95 HA HIS 95 -9.933 11.327 19.055 653 HD1 HIS 95 HD1 HIS 95 -7.959 9.682 19.777 654 HD2 HIS 95 HD2 HIS 95 -6.350 13.435 20.615 655 HE1 HIS 95 HE1 HIS 95 -6.690 9.447 21.956 656 HB2 HIS 95 HB2 HIS 95 -7.836 11.447 17.692 657 HB3 HIS 95 HB1 HIS 95 -7.648 13.131 18.183 658 H HIS 96 HN HIS 96 -11.151 14.229 18.461 659 HA HIS 96 HA HIS 96 -11.559 16.191 19.694 660 HD1 HIS 96 HD1 HIS 96 -11.941 17.679 20.991 661 HD2 HIS 96 HD2 HIS 96 -13.477 15.205 23.974 662 HE1 HIS 96 HE1 HIS 96 -12.876 19.209 22.780 663 HB2 HIS 96 HB2 HIS 96 -12.959 14.475 20.810 664 HB3 HIS 96 HB1 HIS 96 -11.637 14.136 21.925 665 H HIS 97 HN HIS 97 -8.853 15.940 19.246 666 HA HIS 97 HA HIS 97 -6.775 16.698 19.988 667 HD1 HIS 97 HD1 HIS 97 -6.246 19.040 19.053 668 HD2 HIS 97 HD2 HIS 97 -10.169 19.641 20.328 669 HE1 HIS 97 HE1 HIS 97 -7.316 20.600 17.369 670 HB2 HIS 97 HB2 HIS 97 -8.541 18.153 21.980 671 HB3 HIS 97 HB1 HIS 97 -6.831 18.488 21.718 672 H HIS 98 HN HIS 98 -5.324 16.839 22.019 673 HA HIS 98 HA HIS 98 -5.178 14.293 23.247 674 HD1 HIS 98 HD1 HIS 98 -2.815 13.335 24.243 675 HD2 HIS 98 HD2 HIS 98 -3.590 16.471 26.879 676 HE1 HIS 98 HE1 HIS 98 -2.050 12.555 26.529 677 HB2 HIS 98 HB2 HIS 98 -3.243 15.787 23.117 678 HB3 HIS 98 HB1 HIS 98 -4.040 16.945 24.181 Start of MODEL 7 1 HA ALA 12 HA ALA 12 -6.043 13.181 -11.946 2 H1 ALA 12 HN ALA 12 -7.629 14.061 -13.420 3 HB1 ALA 12 HB1 ALA 12 -5.559 15.442 -11.385 4 HB2 ALA 12 HB2 ALA 12 -5.718 14.602 -9.843 5 HB3 ALA 12 HB3 ALA 12 -7.038 15.606 -10.441 6 H PHE 13 HN PHE 13 -8.953 12.383 -11.775 7 HA PHE 13 HA PHE 13 -9.700 11.811 -9.086 8 HD1 PHE 13 HD2 PHE 13 -12.073 11.397 -8.519 9 HD2 PHE 13 HD1 PHE 13 -10.886 8.062 -10.952 10 HE1 PHE 13 HE2 PHE 13 -13.351 9.867 -7.046 11 HE2 PHE 13 HE1 PHE 13 -12.165 6.532 -9.479 12 HZ PHE 13 HZ PHE 13 -13.398 7.435 -7.527 13 HB2 PHE 13 HB2 PHE 13 -11.246 11.601 -11.005 14 HB3 PHE 13 HB1 PHE 13 -10.306 10.239 -11.617 15 H PHE 14 HN PHE 14 -7.872 9.901 -11.461 16 HA PHE 14 HA PHE 14 -7.479 7.582 -9.828 17 HD1 PHE 14 HD1 PHE 14 -7.268 5.357 -11.394 18 HD2 PHE 14 HD2 PHE 14 -7.710 8.974 -13.670 19 HE1 PHE 14 HE1 PHE 14 -9.029 4.278 -12.768 20 HE2 PHE 14 HE2 PHE 14 -9.470 7.895 -15.043 21 HZ PHE 14 HZ PHE 14 -10.129 5.547 -14.593 22 HB2 PHE 14 HB2 PHE 14 -5.890 8.732 -12.144 23 HB3 PHE 14 HB1 PHE 14 -5.520 7.176 -11.401 24 H ASN 15 HN ASN 15 -5.583 10.540 -10.274 25 HA ASN 15 HA ASN 15 -3.290 9.780 -8.762 26 HB2 ASN 15 HB2 ASN 15 -3.289 11.757 -10.207 27 HB3 ASN 15 HB1 ASN 15 -4.528 12.521 -9.211 28 HD21 ASN 15 HD21 ASN 15 -1.228 11.097 -8.868 29 HD22 ASN 15 HD22 ASN 15 -0.704 12.217 -7.705 30 H GLU 16 HN GLU 16 -6.329 11.336 -7.804 31 HA GLU 16 HA GLU 16 -5.601 11.831 -5.071 32 HB2 GLU 16 HB2 GLU 16 -8.312 11.453 -6.389 33 HB3 GLU 16 HB1 GLU 16 -8.092 11.996 -4.726 34 HG2 GLU 16 HG2 GLU 16 -6.910 13.395 -7.141 35 HG3 GLU 16 HG1 GLU 16 -8.405 13.886 -6.345 36 H GLN 17 HN GLN 17 -7.161 9.084 -6.676 37 HA GLN 17 HA GLN 17 -7.850 7.644 -4.296 38 HB2 GLN 17 HB2 GLN 17 -7.642 7.079 -7.210 39 HB3 GLN 17 HB1 GLN 17 -7.403 5.662 -6.192 40 HG2 GLN 17 HG2 GLN 17 -9.787 5.957 -6.778 41 HG3 GLN 17 HG1 GLN 17 -9.517 6.095 -5.040 42 HE21 GLN 17 HE21 GLN 17 -11.713 7.336 -5.336 43 HE22 GLN 17 HE22 GLN 17 -11.597 9.005 -5.627 44 H LYS 18 HN LYS 18 -4.940 7.659 -6.309 45 HA LYS 18 HA LYS 18 -3.564 5.522 -4.989 46 HB2 LYS 18 HB2 LYS 18 -2.595 7.916 -6.576 47 HB3 LYS 18 HB1 LYS 18 -1.506 6.677 -5.952 48 HG2 LYS 18 HG2 LYS 18 -2.689 4.948 -7.207 49 HG3 LYS 18 HG1 LYS 18 -3.880 6.125 -7.758 50 HD2 LYS 18 HD2 LYS 18 -2.260 5.784 -9.538 51 HD3 LYS 18 HD1 LYS 18 -2.028 7.400 -8.872 52 HE2 LYS 18 HE2 LYS 18 -0.060 6.782 -7.737 53 HE3 LYS 18 HE1 LYS 18 -0.443 5.063 -7.811 54 HZ1 LYS 18 HZ1 LYS 18 0.236 6.787 -10.129 55 HZ2 LYS 18 HZ2 LYS 18 -0.109 5.125 -10.192 56 HZ3 LYS 18 HZ3 LYS 18 1.281 5.677 -9.387 57 H GLU 19 HN GLU 19 -3.645 9.019 -4.425 58 HA GLU 19 HA GLU 19 -1.615 9.105 -2.410 59 HB2 GLU 19 HB2 GLU 19 -2.545 11.095 -3.642 60 HB3 GLU 19 HB1 GLU 19 -4.025 10.933 -2.698 61 HG2 GLU 19 HG2 GLU 19 -2.601 12.594 -1.634 62 HG3 GLU 19 HG1 GLU 19 -2.661 11.163 -0.608 63 H LYS 20 HN LYS 20 -5.141 8.692 -2.219 64 HA LYS 20 HA LYS 20 -5.374 8.785 0.628 65 HB2 LYS 20 HB2 LYS 20 -7.038 7.382 -1.485 66 HB3 LYS 20 HB1 LYS 20 -7.495 7.450 0.217 67 HG2 LYS 20 HG2 LYS 20 -7.473 9.910 0.134 68 HG3 LYS 20 HG1 LYS 20 -7.000 9.856 -1.563 69 HD2 LYS 20 HD2 LYS 20 -9.089 8.621 -2.088 70 HD3 LYS 20 HD1 LYS 20 -9.570 8.745 -0.397 71 HE2 LYS 20 HE2 LYS 20 -9.043 11.086 -2.253 72 HE3 LYS 20 HE1 LYS 20 -10.633 10.517 -1.744 73 HZ1 LYS 20 HZ1 LYS 20 -8.508 11.452 0.104 74 HZ2 LYS 20 HZ2 LYS 20 -10.096 11.017 0.523 75 HZ3 LYS 20 HZ3 LYS 20 -9.813 12.401 -0.420 76 H VAL 21 HN VAL 21 -4.893 6.050 -1.595 77 HA VAL 21 HA VAL 21 -4.922 4.008 0.432 78 HB VAL 21 HB VAL 21 -3.681 4.055 -2.342 79 HG11 VAL 21 HG11 VAL 21 -4.066 1.838 -0.322 80 HG12 VAL 21 HG12 VAL 21 -2.579 2.310 -1.144 81 HG13 VAL 21 HG13 VAL 21 -3.872 1.519 -2.044 82 HG21 VAL 21 HG21 VAL 21 -5.711 2.744 -2.920 83 HG22 VAL 21 HG22 VAL 21 -6.127 4.343 -2.302 84 HG23 VAL 21 HG23 VAL 21 -6.287 2.927 -1.263 85 H THR 22 HN THR 22 -2.283 5.791 -1.151 86 HA THR 22 HA THR 22 -0.120 4.438 0.137 87 HB THR 22 HB THR 22 -0.282 7.282 -0.925 88 HG1 THR 22 HG1 THR 22 -0.690 5.559 -2.419 89 HG21 THR 22 HG21 THR 22 1.651 7.250 0.413 90 HG22 THR 22 HG22 THR 22 2.262 6.811 -1.182 91 HG23 THR 22 HG23 THR 22 2.001 5.563 0.035 92 H LEU 23 HN LEU 23 -1.907 7.386 0.989 93 HA LEU 23 HA LEU 23 -0.378 8.093 3.282 94 HG LEU 23 HG LEU 23 -1.737 9.356 4.993 95 HB2 LEU 23 HB2 LEU 23 -2.204 9.443 2.013 96 HB3 LEU 23 HB1 LEU 23 -3.354 8.580 3.032 97 HD11 LEU 23 HD11 LEU 23 -0.006 10.334 3.573 98 HD12 LEU 23 HD12 LEU 23 -0.783 11.609 4.503 99 HD13 LEU 23 HD13 LEU 23 -1.192 11.386 2.805 100 HD21 LEU 23 HD21 LEU 23 -4.026 10.060 4.936 101 HD22 LEU 23 HD22 LEU 23 -3.738 11.105 3.546 102 HD23 LEU 23 HD23 LEU 23 -3.057 11.523 5.119 103 H TYR 24 HN TYR 24 -3.283 6.079 2.949 104 HA TYR 24 HA TYR 24 -3.704 5.590 5.728 105 HD1 TYR 24 HD2 TYR 24 -5.964 4.447 6.614 106 HD2 TYR 24 HD1 TYR 24 -4.193 1.682 3.844 107 HE1 TYR 24 HE2 TYR 24 -6.603 2.556 8.086 108 HE2 TYR 24 HE1 TYR 24 -4.837 -0.208 5.315 109 HH TYR 24 HH TYR 24 -5.573 -0.750 7.389 110 HB2 TYR 24 HB2 TYR 24 -5.452 5.037 4.166 111 HB3 TYR 24 HB1 TYR 24 -4.390 3.963 3.256 112 H LEU 25 HN LEU 25 -1.930 3.711 3.277 113 HA LEU 25 HA LEU 25 -1.083 1.625 5.036 114 HG LEU 25 HG LEU 25 -2.181 1.688 2.374 115 HB2 LEU 25 HB2 LEU 25 0.131 2.694 2.464 116 HB3 LEU 25 HB1 LEU 25 0.681 1.229 3.269 117 HD11 LEU 25 HD11 LEU 25 0.088 0.191 1.032 118 HD12 LEU 25 HD12 LEU 25 -0.775 1.593 0.397 119 HD13 LEU 25 HD13 LEU 25 -1.606 0.045 0.564 120 HD21 LEU 25 HD21 LEU 25 -0.689 -0.570 3.692 121 HD22 LEU 25 HD22 LEU 25 -1.982 -0.968 2.568 122 HD23 LEU 25 HD23 LEU 25 -2.324 0.013 3.985 123 H LYS 26 HN LYS 26 0.435 4.671 4.081 124 HA LYS 26 HA LYS 26 2.947 4.298 5.324 125 HB2 LYS 26 HB2 LYS 26 2.360 6.182 3.776 126 HB3 LYS 26 HB1 LYS 26 1.408 6.905 5.074 127 HG2 LYS 26 HG2 LYS 26 3.408 7.053 6.488 128 HG3 LYS 26 HG1 LYS 26 4.371 6.281 5.228 129 HD2 LYS 26 HD2 LYS 26 3.861 8.151 3.693 130 HD3 LYS 26 HD1 LYS 26 2.917 8.930 4.964 131 HE2 LYS 26 HE2 LYS 26 5.164 9.900 4.891 132 HE3 LYS 26 HE1 LYS 26 4.948 9.007 6.396 133 HZ1 LYS 26 HZ1 LYS 26 7.066 8.478 5.394 134 HZ2 LYS 26 HZ2 LYS 26 6.305 8.012 3.947 135 HZ3 LYS 26 HZ3 LYS 26 6.062 7.110 5.367 136 H HIS 27 HN HIS 27 -0.059 5.664 6.623 137 HA HIS 27 HA HIS 27 1.013 6.295 9.215 138 HD1 HIS 27 HD1 HIS 27 0.661 8.424 9.592 139 HD2 HIS 27 HD2 HIS 27 -2.485 8.173 6.869 140 HE1 HIS 27 HE1 HIS 27 0.476 10.702 8.501 141 HB2 HIS 27 HB2 HIS 27 -1.817 5.858 8.218 142 HB3 HIS 27 HB1 HIS 27 -1.446 6.354 9.870 143 H ASN 28 HN ASN 28 -0.630 3.444 7.902 144 HA ASN 28 HA ASN 28 -0.556 2.094 10.540 145 HB2 ASN 28 HB2 ASN 28 -1.547 1.162 7.819 146 HB3 ASN 28 HB1 ASN 28 -1.686 0.251 9.319 147 HD21 ASN 28 HD21 ASN 28 -2.072 3.047 10.695 148 HD22 ASN 28 HD22 ASN 28 -3.717 3.367 10.441 149 H ILE 29 HN ILE 29 1.612 2.642 8.125 150 HA ILE 29 HA ILE 29 3.223 0.266 8.907 151 HB ILE 29 HB ILE 29 2.926 1.080 6.009 152 HG12 ILE 29 HG12 ILE 29 1.606 -1.176 7.554 153 HG13 ILE 29 HG11 ILE 29 0.781 0.180 6.789 154 HG21 ILE 29 HG21 ILE 29 4.160 -0.935 5.578 155 HG22 ILE 29 HG22 ILE 29 4.036 -1.435 7.265 156 HG23 ILE 29 HG23 ILE 29 5.035 -0.050 6.827 157 HD11 ILE 29 HD11 ILE 29 2.308 -2.046 5.422 158 HD12 ILE 29 HD12 ILE 29 1.778 -0.586 4.587 159 HD13 ILE 29 HD13 ILE 29 0.589 -1.685 5.288 160 HA PRO 30 HA PRO 30 5.535 4.310 9.172 161 HB2 PRO 30 HB2 PRO 30 7.087 2.549 11.045 162 HB3 PRO 30 HB1 PRO 30 6.511 4.212 11.281 163 HG2 PRO 30 HG2 PRO 30 5.325 2.141 12.477 164 HG3 PRO 30 HG1 PRO 30 4.393 3.533 11.896 165 HD2 PRO 30 HD2 PRO 30 4.615 0.787 10.717 166 HD3 PRO 30 HD1 PRO 30 3.236 1.909 10.712 167 H ASP 31 HN ASP 31 6.487 0.995 8.619 168 HA ASP 31 HA ASP 31 9.187 1.605 7.692 169 HB2 ASP 31 HB2 ASP 31 7.442 -0.874 7.525 170 HB3 ASP 31 HB1 ASP 31 9.087 -0.808 6.891 171 H PHE 32 HN PHE 32 6.231 2.254 6.414 172 HA PHE 32 HA PHE 32 6.337 1.384 3.717 173 HD1 PHE 32 HD2 PHE 32 5.915 4.997 2.568 174 HD2 PHE 32 HD1 PHE 32 3.289 1.605 2.807 175 HE1 PHE 32 HE2 PHE 32 5.205 5.381 0.224 176 HE2 PHE 32 HE1 PHE 32 2.578 1.990 0.465 177 HZ PHE 32 HZ PHE 32 3.537 3.882 -0.826 178 HB2 PHE 32 HB2 PHE 32 4.345 2.437 4.769 179 HB3 PHE 32 HB1 PHE 32 5.186 3.988 4.773 180 H ASN 33 HN ASN 33 7.571 1.947 2.071 181 HA ASN 33 HA ASN 33 9.201 4.471 2.224 182 HB2 ASN 33 HB2 ASN 33 10.548 2.380 2.534 183 HB3 ASN 33 HB1 ASN 33 10.000 1.833 0.949 184 HD21 ASN 33 HD21 ASN 33 12.748 2.219 1.321 185 HD22 ASN 33 HD22 ASN 33 13.257 3.597 0.472 186 H THR 34 HN THR 34 8.134 1.961 -0.099 187 HA THR 34 HA THR 34 7.041 4.081 -1.864 188 HB THR 34 HB THR 34 9.314 3.895 -2.674 189 HG1 THR 34 HG1 THR 34 8.103 4.026 -4.416 190 HG21 THR 34 HG21 THR 34 10.211 1.695 -3.428 191 HG22 THR 34 HG22 THR 34 8.792 0.907 -2.739 192 HG23 THR 34 HG23 THR 34 9.931 1.749 -1.688 193 H VAL 35 HN VAL 35 5.629 3.258 -3.472 194 HA VAL 35 HA VAL 35 4.838 0.396 -3.252 195 HB VAL 35 HB VAL 35 3.408 1.722 -1.695 196 HG11 VAL 35 HG11 VAL 35 3.505 3.821 -3.168 197 HG12 VAL 35 HG12 VAL 35 1.931 3.418 -2.481 198 HG13 VAL 35 HG13 VAL 35 2.278 3.045 -4.169 199 HG21 VAL 35 HG21 VAL 35 1.895 0.752 -4.130 200 HG22 VAL 35 HG22 VAL 35 1.322 0.786 -2.463 201 HG23 VAL 35 HG23 VAL 35 2.612 -0.323 -2.929 202 H THR 36 HN THR 36 4.118 -0.448 -5.150 203 HA THR 36 HA THR 36 3.804 1.410 -7.489 204 HB THR 36 HB THR 36 5.294 -1.229 -7.416 205 HG1 THR 36 HG1 THR 36 6.470 0.510 -6.602 206 HG21 THR 36 HG21 THR 36 4.155 -1.072 -9.521 207 HG22 THR 36 HG22 THR 36 5.818 -0.563 -9.812 208 HG23 THR 36 HG23 THR 36 4.541 0.644 -9.669 209 H PHE 37 HN PHE 37 1.960 1.161 -8.484 210 HA PHE 37 HA PHE 37 0.251 -1.203 -7.929 211 HD1 PHE 37 HD1 PHE 37 -2.015 -0.218 -6.504 212 HD2 PHE 37 HD2 PHE 37 0.528 2.955 -7.889 213 HE1 PHE 37 HE1 PHE 37 -2.213 0.904 -4.298 214 HE2 PHE 37 HE2 PHE 37 0.332 4.075 -5.680 215 HZ PHE 37 HZ PHE 37 -1.040 3.048 -3.889 216 HB2 PHE 37 HB2 PHE 37 -0.391 1.352 -9.443 217 HB3 PHE 37 HB1 PHE 37 -1.544 0.123 -8.919 218 H THR 38 HN THR 38 -0.169 -2.720 -9.434 219 HA THR 38 HA THR 38 -0.001 -2.307 -12.273 220 HB THR 38 HB THR 38 2.355 -2.238 -12.070 221 HG1 THR 38 HG1 THR 38 2.959 -4.173 -13.070 222 HG21 THR 38 HG21 THR 38 2.084 -4.601 -10.194 223 HG22 THR 38 HG22 THR 38 2.588 -2.967 -9.763 224 HG23 THR 38 HG23 THR 38 3.620 -3.968 -10.785 225 H ASN 39 HN ASN 39 -2.023 -3.363 -10.937 226 HA ASN 39 HA ASN 39 -2.339 -5.984 -12.060 227 HB2 ASN 39 HB2 ASN 39 -0.913 -6.703 -10.232 228 HB3 ASN 39 HB1 ASN 39 -1.923 -5.856 -9.066 229 HD21 ASN 39 HD21 ASN 39 -2.164 -8.435 -11.578 230 HD22 ASN 39 HD22 ASN 39 -3.344 -9.334 -10.753 231 H GLU 40 HN GLU 40 -4.431 -6.361 -12.326 232 HA GLU 40 HA GLU 40 -6.737 -6.086 -12.283 233 HB2 GLU 40 HB2 GLU 40 -6.108 -5.556 -9.371 234 HB3 GLU 40 HB1 GLU 40 -7.741 -5.721 -10.007 235 HG2 GLU 40 HG2 GLU 40 -7.242 -7.977 -10.805 236 HG3 GLU 40 HG1 GLU 40 -5.566 -7.818 -10.279 237 H GLU 41 HN GLU 41 -8.195 -4.511 -12.719 238 HA GLU 41 HA GLU 41 -7.666 -1.727 -11.830 239 HB2 GLU 41 HB2 GLU 41 -7.877 -2.613 -14.721 240 HB3 GLU 41 HB1 GLU 41 -8.037 -0.935 -14.196 241 HG2 GLU 41 HG2 GLU 41 -5.789 -1.013 -13.205 242 HG3 GLU 41 HG1 GLU 41 -5.622 -2.697 -13.691 243 H PHE 42 HN PHE 42 -9.720 -2.605 -14.499 244 HA PHE 42 HA PHE 42 -12.052 -1.506 -13.174 245 HD1 PHE 42 HD2 PHE 42 -13.621 0.097 -14.815 246 HD2 PHE 42 HD1 PHE 42 -10.016 -1.334 -16.663 247 HE1 PHE 42 HE2 PHE 42 -13.108 2.396 -15.597 248 HE2 PHE 42 HE1 PHE 42 -9.506 0.965 -17.445 249 HZ PHE 42 HZ PHE 42 -11.052 2.829 -16.911 250 HB2 PHE 42 HB2 PHE 42 -11.652 -2.889 -15.842 251 HB3 PHE 42 HB1 PHE 42 -13.233 -2.344 -15.287 252 H ASN 43 HN ASN 43 -13.881 -2.580 -12.510 253 HA ASN 43 HA ASN 43 -14.315 -5.380 -12.735 254 HB2 ASN 43 HB2 ASN 43 -12.479 -4.566 -10.657 255 HB3 ASN 43 HB1 ASN 43 -13.924 -5.201 -9.885 256 HD21 ASN 43 HD21 ASN 43 -13.210 -7.279 -9.277 257 HD22 ASN 43 HD22 ASN 43 -12.637 -8.438 -10.376 258 HA PRO 44 HA PRO 44 -18.411 -4.494 -11.416 259 HB2 PRO 44 HB2 PRO 44 -18.127 -6.309 -9.041 260 HB3 PRO 44 HB1 PRO 44 -19.345 -6.324 -10.332 261 HG2 PRO 44 HG2 PRO 44 -17.348 -8.116 -10.242 262 HG3 PRO 44 HG1 PRO 44 -17.999 -7.505 -11.774 263 HD2 PRO 44 HD2 PRO 44 -15.407 -6.877 -10.449 264 HD3 PRO 44 HD1 PRO 44 -15.833 -6.873 -12.171 265 H ILE 45 HN ILE 45 -16.132 -4.660 -8.704 266 HA ILE 45 HA ILE 45 -17.667 -2.851 -7.015 267 HB ILE 45 HB ILE 45 -15.627 -2.899 -5.576 268 HG12 ILE 45 HG12 ILE 45 -14.515 -4.767 -7.691 269 HG13 ILE 45 HG11 ILE 45 -13.998 -3.093 -7.499 270 HG21 ILE 45 HG21 ILE 45 -15.755 -5.307 -5.053 271 HG22 ILE 45 HG22 ILE 45 -16.535 -5.604 -6.607 272 HG23 ILE 45 HG23 ILE 45 -17.358 -4.646 -5.377 273 HD11 ILE 45 HD11 ILE 45 -13.758 -5.317 -5.456 274 HD12 ILE 45 HD12 ILE 45 -13.410 -3.624 -5.114 275 HD13 ILE 45 HD13 ILE 45 -12.440 -4.500 -6.295 276 H GLY 46 HN GLY 46 -16.904 -1.962 -9.726 277 HA2 GLY 46 HA2 GLY 46 -16.506 0.197 -10.595 278 HA3 GLY 46 HA1 GLY 46 -15.977 0.716 -8.996 279 H ILE 47 HN ILE 47 -13.828 0.671 -8.507 280 HA ILE 47 HA ILE 47 -11.951 -0.283 -10.654 281 HB ILE 47 HB ILE 47 -10.455 1.548 -9.974 282 HG12 ILE 47 HG12 ILE 47 -12.764 2.460 -8.221 283 HG13 ILE 47 HG11 ILE 47 -11.275 1.739 -7.612 284 HG21 ILE 47 HG21 ILE 47 -11.682 3.317 -11.038 285 HG22 ILE 47 HG22 ILE 47 -13.228 2.615 -10.556 286 HG23 ILE 47 HG23 ILE 47 -12.228 1.805 -11.763 287 HD11 ILE 47 HD11 ILE 47 -11.453 4.292 -9.238 288 HD12 ILE 47 HD12 ILE 47 -9.964 3.562 -8.637 289 HD13 ILE 47 HD13 ILE 47 -11.156 4.195 -7.502 290 H SER 48 HN SER 48 -10.162 -1.366 -10.030 291 HA SER 48 HA SER 48 -9.936 -2.121 -7.134 292 HG SER 48 HG SER 48 -11.233 -4.730 -9.172 293 HB2 SER 48 HB2 SER 48 -9.362 -3.806 -9.593 294 HB3 SER 48 HB1 SER 48 -9.093 -4.303 -7.924 295 H ILE 49 HN ILE 49 -8.129 -1.469 -6.243 296 HA ILE 49 HA ILE 49 -5.731 -0.914 -7.957 297 HB ILE 49 HB ILE 49 -6.486 0.202 -5.234 298 HG12 ILE 49 HG12 ILE 49 -6.273 1.603 -7.916 299 HG13 ILE 49 HG11 ILE 49 -7.797 1.003 -7.264 300 HG21 ILE 49 HG21 ILE 49 -4.115 0.644 -7.066 301 HG22 ILE 49 HG22 ILE 49 -4.086 0.035 -5.412 302 HG23 ILE 49 HG23 ILE 49 -4.516 1.717 -5.726 303 HD11 ILE 49 HD11 ILE 49 -5.975 2.990 -5.872 304 HD12 ILE 49 HD12 ILE 49 -7.538 2.425 -5.282 305 HD13 ILE 49 HD13 ILE 49 -7.450 3.404 -6.745 306 H ASP 50 HN ASP 50 -4.076 -2.224 -7.726 307 HA ASP 50 HA ASP 50 -3.553 -3.594 -5.144 308 HB2 ASP 50 HB2 ASP 50 -4.893 -5.162 -6.528 309 HB3 ASP 50 HB1 ASP 50 -3.695 -5.026 -7.810 310 H GLY 51 HN GLY 51 -1.426 -3.856 -4.720 311 HA2 GLY 51 HA2 GLY 51 0.639 -3.795 -6.765 312 HA3 GLY 51 HA1 GLY 51 0.542 -2.268 -5.893 313 H TYR 52 HN TYR 52 2.738 -2.841 -5.219 314 HA TYR 52 HA TYR 52 2.697 -4.441 -2.702 315 HD1 TYR 52 HD1 TYR 52 6.362 -3.477 -4.290 316 HD2 TYR 52 HD2 TYR 52 3.536 -5.695 -6.648 317 HE1 TYR 52 HE1 TYR 52 7.469 -2.691 -6.362 318 HE2 TYR 52 HE2 TYR 52 4.646 -4.906 -8.720 319 HH TYR 52 HH TYR 52 7.357 -2.606 -8.591 320 HB2 TYR 52 HB2 TYR 52 4.950 -5.381 -3.337 321 HB3 TYR 52 HB1 TYR 52 3.604 -5.997 -4.293 322 H ILE 53 HN ILE 53 4.528 -4.000 -1.305 323 HA ILE 53 HA ILE 53 5.594 -1.207 -1.685 324 HB ILE 53 HB ILE 53 5.568 -1.027 0.777 325 HG12 ILE 53 HG12 ILE 53 4.147 -3.712 0.710 326 HG13 ILE 53 HG11 ILE 53 5.807 -3.477 1.250 327 HG21 ILE 53 HG21 ILE 53 3.597 -0.337 -0.606 328 HG22 ILE 53 HG22 ILE 53 3.169 -0.802 1.039 329 HG23 ILE 53 HG23 ILE 53 2.876 -1.915 -0.297 330 HD11 ILE 53 HD11 ILE 53 4.385 -3.494 3.205 331 HD12 ILE 53 HD12 ILE 53 3.315 -2.288 2.492 332 HD13 ILE 53 HD13 ILE 53 4.958 -1.844 2.958 333 H ASN 54 HN ASN 54 7.641 -0.778 -0.795 334 HA ASN 54 HA ASN 54 9.919 -1.173 -0.546 335 HB2 ASN 54 HB2 ASN 54 8.757 -3.540 0.929 336 HB3 ASN 54 HB1 ASN 54 10.483 -3.185 0.893 337 HD21 ASN 54 HD21 ASN 54 7.548 -2.452 2.511 338 HD22 ASN 54 HD22 ASN 54 8.100 -1.116 3.400 339 H ASN 55 HN ASN 55 8.652 -2.079 -2.964 340 HA ASN 55 HA ASN 55 9.028 -3.442 -4.828 341 HB2 ASN 55 HB2 ASN 55 11.838 -3.474 -3.705 342 HB3 ASN 55 HB1 ASN 55 11.370 -3.737 -5.385 343 HD21 ASN 55 HD21 ASN 55 13.009 -1.498 -4.008 344 HD22 ASN 55 HD22 ASN 55 12.287 -0.067 -4.567 345 H ASP 56 HN ASP 56 8.161 -4.815 -2.422 346 HA ASP 56 HA ASP 56 9.491 -7.490 -2.782 347 HB2 ASP 56 HB2 ASP 56 9.493 -6.409 -0.471 348 HB3 ASP 56 HB1 ASP 56 7.746 -6.646 -0.465 349 H LYS 57 HN LYS 57 8.355 -8.605 -4.218 350 HA LYS 57 HA LYS 57 5.663 -8.233 -4.984 351 HB2 LYS 57 HB2 LYS 57 7.346 -10.765 -5.064 352 HB3 LYS 57 HB1 LYS 57 5.853 -10.518 -5.965 353 HG2 LYS 57 HG2 LYS 57 8.145 -8.575 -6.241 354 HG3 LYS 57 HG1 LYS 57 8.115 -10.065 -7.184 355 HD2 LYS 57 HD2 LYS 57 5.868 -9.437 -8.052 356 HD3 LYS 57 HD1 LYS 57 5.965 -7.919 -7.171 357 HE2 LYS 57 HE2 LYS 57 7.996 -7.308 -8.417 358 HE3 LYS 57 HE1 LYS 57 7.888 -8.820 -9.319 359 HZ1 LYS 57 HZ1 LYS 57 5.397 -7.578 -9.441 360 HZ2 LYS 57 HZ2 LYS 57 6.499 -7.837 -10.709 361 HZ3 LYS 57 HZ3 LYS 57 6.558 -6.398 -9.808 362 H ASN 58 HN ASN 58 7.039 -10.213 -2.420 363 HA ASN 58 HA ASN 58 4.714 -11.755 -1.801 364 HB2 ASN 58 HB2 ASN 58 7.027 -10.813 -0.075 365 HB3 ASN 58 HB1 ASN 58 5.784 -11.927 0.496 366 HD21 ASN 58 HD21 ASN 58 8.853 -12.005 -0.637 367 HD22 ASN 58 HD22 ASN 58 8.838 -13.485 -1.469 368 H LEU 59 HN LEU 59 5.789 -8.546 -0.707 369 HA LEU 59 HA LEU 59 3.495 -8.251 1.108 370 HG LEU 59 HG LEU 59 6.628 -8.092 1.237 371 HB2 LEU 59 HB2 LEU 59 5.493 -6.158 0.191 372 HB3 LEU 59 HB1 LEU 59 4.412 -6.048 1.578 373 HD11 LEU 59 HD11 LEU 59 6.371 -5.663 3.037 374 HD12 LEU 59 HD12 LEU 59 7.499 -5.845 1.698 375 HD13 LEU 59 HD13 LEU 59 7.666 -6.854 3.132 376 HD21 LEU 59 HD21 LEU 59 5.013 -9.166 2.568 377 HD22 LEU 59 HD22 LEU 59 4.486 -7.661 3.320 378 HD23 LEU 59 HD23 LEU 59 6.028 -8.383 3.775 379 H SER 60 HN SER 60 1.919 -8.669 -0.620 380 HA SER 60 HA SER 60 1.396 -6.272 -2.336 381 HG SER 60 HG SER 60 1.004 -9.905 -2.185 382 HB2 SER 60 HB2 SER 60 0.101 -7.761 -3.775 383 HB3 SER 60 HB1 SER 60 1.742 -8.369 -3.587 384 H PHE 61 HN PHE 61 -0.784 -5.594 -2.567 385 HA PHE 61 HA PHE 61 -2.791 -6.594 -0.645 386 HD1 PHE 61 HD2 PHE 61 -3.870 -2.823 -1.367 387 HD2 PHE 61 HD1 PHE 61 0.255 -3.484 -0.366 388 HE1 PHE 61 HE2 PHE 61 -3.260 -0.693 -2.476 389 HE2 PHE 61 HE1 PHE 61 0.865 -1.349 -1.474 390 HZ PHE 61 HZ PHE 61 -0.895 0.046 -2.529 391 HB2 PHE 61 HB2 PHE 61 -3.155 -4.457 0.420 392 HB3 PHE 61 HB1 PHE 61 -1.456 -4.862 0.582 393 H THR 62 HN THR 62 -4.915 -5.707 -1.076 394 HA THR 62 HA THR 62 -5.220 -4.356 -3.730 395 HB THR 62 HB THR 62 -6.727 -6.830 -2.838 396 HG1 THR 62 HG1 THR 62 -4.433 -6.425 -4.189 397 HG21 THR 62 HG21 THR 62 -8.171 -5.357 -4.112 398 HG22 THR 62 HG22 THR 62 -7.664 -6.678 -5.164 399 HG23 THR 62 HG23 THR 62 -6.906 -5.093 -5.312 400 H ALA 63 HN ALA 63 -6.664 -2.781 -3.704 401 HA ALA 63 HA ALA 63 -8.777 -2.703 -1.594 402 HB1 ALA 63 HB1 ALA 63 -6.773 -1.298 -0.942 403 HB2 ALA 63 HB2 ALA 63 -8.291 -0.411 -1.071 404 HB3 ALA 63 HB3 ALA 63 -7.097 -0.306 -2.365 405 H GLY 64 HN GLY 64 -10.681 -1.868 -2.271 406 HA2 GLY 64 HA2 GLY 64 -10.894 -1.115 -5.166 407 HA3 GLY 64 HA1 GLY 64 -12.174 -1.864 -4.217 408 H LYS 65 HN LYS 65 -11.855 0.744 -5.737 409 HA LYS 65 HA LYS 65 -12.351 3.025 -5.487 410 HB2 LYS 65 HB2 LYS 65 -14.437 1.648 -3.786 411 HB3 LYS 65 HB1 LYS 65 -14.526 3.336 -4.274 412 HG2 LYS 65 HG2 LYS 65 -14.496 2.681 -6.637 413 HG3 LYS 65 HG1 LYS 65 -14.314 0.990 -6.187 414 HD2 LYS 65 HD2 LYS 65 -16.637 1.220 -6.604 415 HD3 LYS 65 HD1 LYS 65 -16.502 1.282 -4.848 416 HE2 LYS 65 HE2 LYS 65 -16.754 3.653 -4.810 417 HE3 LYS 65 HE1 LYS 65 -16.492 3.789 -6.547 418 HZ1 LYS 65 HZ1 LYS 65 -18.539 2.507 -6.877 419 HZ2 LYS 65 HZ2 LYS 65 -18.809 3.979 -6.075 420 HZ3 LYS 65 HZ3 LYS 65 -18.808 2.521 -5.202 421 H ASP 66 HN ASP 66 -10.763 4.105 -4.473 422 HA ASP 66 HA ASP 66 -9.623 5.235 -2.779 423 HB2 ASP 66 HB2 ASP 66 -12.354 4.898 -1.522 424 HB3 ASP 66 HB1 ASP 66 -11.057 5.788 -0.739 425 H VAL 67 HN VAL 67 -11.569 3.467 -0.470 426 HA VAL 67 HA VAL 67 -9.342 1.569 0.072 427 HB VAL 67 HB VAL 67 -10.586 3.081 2.380 428 HG11 VAL 67 HG11 VAL 67 -8.403 2.497 3.414 429 HG12 VAL 67 HG12 VAL 67 -7.917 1.719 1.909 430 HG13 VAL 67 HG13 VAL 67 -9.262 1.066 2.843 431 HG21 VAL 67 HG21 VAL 67 -8.576 4.604 2.269 432 HG22 VAL 67 HG22 VAL 67 -9.739 4.859 0.968 433 HG23 VAL 67 HG23 VAL 67 -8.250 3.967 0.658 434 H LYS 68 HN LYS 68 -12.380 1.804 -0.741 435 HA LYS 68 HA LYS 68 -13.823 0.360 1.300 436 HB2 LYS 68 HB2 LYS 68 -14.373 0.764 -1.653 437 HB3 LYS 68 HB1 LYS 68 -15.498 -0.011 -0.542 438 HG2 LYS 68 HG2 LYS 68 -15.560 2.030 0.836 439 HG3 LYS 68 HG1 LYS 68 -14.420 2.812 -0.260 440 HD2 LYS 68 HD2 LYS 68 -16.053 2.530 -2.118 441 HD3 LYS 68 HD1 LYS 68 -17.201 1.829 -0.977 442 HE2 LYS 68 HE2 LYS 68 -16.029 4.624 -0.816 443 HE3 LYS 68 HE1 LYS 68 -17.673 4.222 -1.314 444 HZ1 LYS 68 HZ1 LYS 68 -18.152 4.466 0.837 445 HZ2 LYS 68 HZ2 LYS 68 -16.530 4.344 1.326 446 HZ3 LYS 68 HZ3 LYS 68 -17.443 2.940 1.044 447 H ILE 69 HN ILE 69 -13.889 -1.729 1.662 448 HA ILE 69 HA ILE 69 -13.328 -3.998 1.598 449 HB ILE 69 HB ILE 69 -13.839 -3.498 -1.346 450 HG12 ILE 69 HG12 ILE 69 -15.639 -4.732 0.764 451 HG13 ILE 69 HG11 ILE 69 -15.703 -3.025 0.327 452 HG21 ILE 69 HG21 ILE 69 -12.612 -5.544 -1.175 453 HG22 ILE 69 HG22 ILE 69 -14.308 -6.011 -1.290 454 HG23 ILE 69 HG23 ILE 69 -13.493 -6.032 0.273 455 HD11 ILE 69 HD11 ILE 69 -16.080 -5.332 -1.606 456 HD12 ILE 69 HD12 ILE 69 -16.193 -3.618 -2.007 457 HD13 ILE 69 HD13 ILE 69 -17.381 -4.353 -0.929 458 H PHE 70 HN PHE 70 -11.255 -4.234 2.187 459 HA PHE 70 HA PHE 70 -9.206 -4.275 0.028 460 HD1 PHE 70 HD2 PHE 70 -10.674 -1.708 2.944 461 HD2 PHE 70 HD1 PHE 70 -7.206 -4.130 3.700 462 HE1 PHE 70 HE2 PHE 70 -11.096 -1.552 5.383 463 HE2 PHE 70 HE1 PHE 70 -7.630 -3.972 6.140 464 HZ PHE 70 HZ PHE 70 -9.575 -2.684 6.979 465 HB2 PHE 70 HB2 PHE 70 -7.597 -3.145 1.501 466 HB3 PHE 70 HB1 PHE 70 -8.992 -2.113 1.195 467 H SER 71 HN SER 71 -7.431 -5.618 0.453 468 HA SER 71 HA SER 71 -7.676 -7.483 2.775 469 HG SER 71 HG SER 71 -7.582 -9.873 2.223 470 HB2 SER 71 HB2 SER 71 -8.742 -8.568 0.834 471 HB3 SER 71 HB1 SER 71 -7.286 -8.301 -0.124 472 H SER 72 HN SER 72 -5.727 -8.435 3.394 473 HA SER 72 HA SER 72 -3.231 -7.415 2.089 474 HG SER 72 HG SER 72 -1.590 -7.744 3.853 475 HB2 SER 72 HB2 SER 72 -3.658 -5.983 4.022 476 HB3 SER 72 HB1 SER 72 -3.869 -7.393 5.056 477 H SER 73 HN SER 73 -1.445 -8.743 2.324 478 HA SER 73 HA SER 73 -2.016 -11.580 2.571 479 HG SER 73 HG SER 73 0.313 -8.983 1.827 480 HB2 SER 73 HB2 SER 73 0.473 -11.786 2.156 481 HB3 SER 73 HB1 SER 73 -0.407 -10.901 0.916 482 H GLU 74 HN GLU 74 -0.600 -12.979 3.916 483 HA GLU 74 HA GLU 74 -0.931 -12.440 6.679 484 HB2 GLU 74 HB2 GLU 74 0.886 -14.391 5.223 485 HB3 GLU 74 HB1 GLU 74 0.658 -14.396 6.972 486 HG2 GLU 74 HG2 GLU 74 -1.749 -14.760 6.685 487 HG3 GLU 74 HG1 GLU 74 -1.571 -14.684 4.933 488 H GLU 75 HN GLU 75 1.959 -12.219 4.621 489 HA GLU 75 HA GLU 75 3.764 -11.395 6.688 490 HB2 GLU 75 HB2 GLU 75 3.836 -10.892 3.687 491 HB3 GLU 75 HB1 GLU 75 5.182 -10.591 4.783 492 HG2 GLU 75 HG2 GLU 75 5.687 -12.746 4.029 493 HG3 GLU 75 HG1 GLU 75 4.804 -13.104 5.509 494 H LEU 76 HN LEU 76 1.863 -9.540 4.322 495 HA LEU 76 HA LEU 76 2.747 -6.960 5.255 496 HG LEU 76 HG LEU 76 0.184 -5.431 4.805 497 HB2 LEU 76 HB2 LEU 76 1.745 -7.318 3.005 498 HB3 LEU 76 HB1 LEU 76 0.204 -7.703 3.760 499 HD11 LEU 76 HD11 LEU 76 2.380 -4.696 4.986 500 HD12 LEU 76 HD12 LEU 76 1.872 -3.810 3.556 501 HD13 LEU 76 HD13 LEU 76 2.833 -5.279 3.385 502 HD21 LEU 76 HD21 LEU 76 0.546 -5.416 1.796 503 HD22 LEU 76 HD22 LEU 76 -0.317 -4.205 2.744 504 HD23 LEU 76 HD23 LEU 76 -0.941 -5.851 2.640 505 H ASP 77 HN ASP 77 0.242 -9.193 6.208 506 HA ASP 77 HA ASP 77 -1.382 -7.406 7.724 507 HB2 ASP 77 HB2 ASP 77 -2.130 -9.668 7.066 508 HB3 ASP 77 HB1 ASP 77 -0.908 -10.377 8.122 509 H LYS 78 HN LYS 78 1.492 -9.293 8.485 510 HA LYS 78 HA LYS 78 1.439 -8.730 11.333 511 HB2 LYS 78 HB2 LYS 78 3.640 -9.770 9.513 512 HB3 LYS 78 HB1 LYS 78 3.774 -9.663 11.269 513 HG2 LYS 78 HG2 LYS 78 1.815 -11.137 11.521 514 HG3 LYS 78 HG1 LYS 78 1.665 -11.243 9.768 515 HD2 LYS 78 HD2 LYS 78 3.903 -12.267 9.626 516 HD3 LYS 78 HD1 LYS 78 4.072 -12.147 11.378 517 HE2 LYS 78 HE2 LYS 78 2.112 -13.612 11.675 518 HE3 LYS 78 HE1 LYS 78 1.928 -13.727 9.925 519 HZ1 LYS 78 HZ1 LYS 78 4.584 -14.339 10.788 520 HZ2 LYS 78 HZ2 LYS 78 3.533 -15.240 9.803 521 HZ3 LYS 78 HZ3 LYS 78 3.437 -15.369 11.495 522 H MET 79 HN MET 79 2.173 -6.844 8.662 523 HA MET 79 HA MET 79 4.335 -5.271 9.881 524 HB2 MET 79 HB2 MET 79 2.651 -4.847 7.393 525 HB3 MET 79 HB1 MET 79 3.942 -3.764 7.893 526 HG2 MET 79 HG2 MET 79 5.529 -5.686 7.837 527 HG3 MET 79 HG1 MET 79 4.228 -6.709 7.234 528 HE1 MET 79 HE1 MET 79 6.526 -3.393 5.096 529 HE2 MET 79 HE2 MET 79 7.120 -4.476 6.352 530 HE3 MET 79 HE3 MET 79 5.903 -3.264 6.746 531 H PHE 80 HN PHE 80 1.010 -5.499 10.213 532 HA PHE 80 HA PHE 80 0.321 -2.724 10.583 533 HD1 PHE 80 HD1 PHE 80 -1.753 -1.850 10.257 534 HD2 PHE 80 HD2 PHE 80 -2.088 -6.010 9.308 535 HE1 PHE 80 HE1 PHE 80 -3.019 -1.280 8.204 536 HE2 PHE 80 HE2 PHE 80 -3.349 -5.448 7.248 537 HZ PHE 80 HZ PHE 80 -3.816 -3.076 6.701 538 HB2 PHE 80 HB2 PHE 80 -0.931 -5.387 11.239 539 HB3 PHE 80 HB1 PHE 80 -1.590 -3.959 12.032 540 H GLN 81 HN GLN 81 0.396 -1.477 12.371 541 HA GLN 81 HA GLN 81 1.506 -2.666 14.900 542 HB2 GLN 81 HB2 GLN 81 2.249 -0.058 13.531 543 HB3 GLN 81 HB1 GLN 81 2.713 -0.472 15.184 544 HG2 GLN 81 HG2 GLN 81 3.864 -2.489 14.368 545 HG3 GLN 81 HG1 GLN 81 3.398 -2.092 12.714 546 HE21 GLN 81 HE21 GLN 81 5.990 -2.209 12.715 547 HE22 GLN 81 HE22 GLN 81 6.769 -0.715 12.926 548 H GLU 82 HN GLU 82 -0.244 0.085 13.450 549 HA GLU 82 HA GLU 82 -1.562 0.530 16.068 550 HB2 GLU 82 HB2 GLU 82 -1.089 2.299 13.681 551 HB3 GLU 82 HB1 GLU 82 -2.315 2.712 14.875 552 HG2 GLU 82 HG2 GLU 82 -0.181 3.791 15.442 553 HG3 GLU 82 HG1 GLU 82 -0.612 2.594 16.664 554 HA PRO 83 HA PRO 83 -5.462 -1.046 14.700 555 HB2 PRO 83 HB2 PRO 83 -6.702 1.543 15.558 556 HB3 PRO 83 HB1 PRO 83 -7.103 -0.115 16.047 557 HG2 PRO 83 HG2 PRO 83 -5.772 1.542 17.670 558 HG3 PRO 83 HG1 PRO 83 -5.430 -0.198 17.623 559 HD2 PRO 83 HD2 PRO 83 -3.835 2.066 16.503 560 HD3 PRO 83 HD1 PRO 83 -3.309 0.508 17.174 561 H ARG 84 HN ARG 84 -6.791 -0.984 12.914 562 HA ARG 84 HA ARG 84 -6.046 0.849 10.779 563 HE ARG 84 HE ARG 84 -8.578 -3.639 9.893 564 HB2 ARG 84 HB2 ARG 84 -8.148 -1.340 10.928 565 HB3 ARG 84 HB1 ARG 84 -7.754 -0.439 9.464 566 HG2 ARG 84 HG2 ARG 84 -5.406 -1.206 9.623 567 HG3 ARG 84 HG1 ARG 84 -5.810 -2.129 11.071 568 HD2 ARG 84 HD2 ARG 84 -7.132 -2.534 8.374 569 HD3 ARG 84 HD1 ARG 84 -5.793 -3.513 8.968 570 HH11 ARG 84 HH21 ARG 84 -5.238 -4.336 10.527 571 HH12 ARG 84 HH22 ARG 84 -5.597 -5.612 11.643 572 HH21 ARG 84 HH11 ARG 84 -9.034 -5.298 11.334 573 HH22 ARG 84 HH12 ARG 84 -7.736 -6.153 12.098 574 H LYS 85 HN LYS 85 -7.165 2.545 10.008 575 HA LYS 85 HA LYS 85 -9.868 3.158 11.124 576 HB2 LYS 85 HB2 LYS 85 -7.478 5.024 11.077 577 HB3 LYS 85 HB1 LYS 85 -9.132 5.540 11.386 578 HG2 LYS 85 HG2 LYS 85 -9.264 4.030 13.319 579 HG3 LYS 85 HG1 LYS 85 -7.612 3.493 13.017 580 HD2 LYS 85 HD2 LYS 85 -6.829 5.841 13.313 581 HD3 LYS 85 HD1 LYS 85 -8.481 6.316 13.708 582 HE2 LYS 85 HE2 LYS 85 -6.834 4.267 15.227 583 HE3 LYS 85 HE1 LYS 85 -7.150 5.920 15.757 584 HZ1 LYS 85 HZ1 LYS 85 -9.539 5.403 15.683 585 HZ2 LYS 85 HZ2 LYS 85 -8.697 4.438 16.801 586 HZ3 LYS 85 HZ3 LYS 85 -9.169 3.793 15.302 587 H GLY 86 HN GLY 86 -11.133 4.454 9.801 588 HA2 GLY 86 HA2 GLY 86 -10.833 4.116 6.990 589 HA3 GLY 86 HA1 GLY 86 -11.993 5.196 7.764 590 H TYR 87 HN TYR 87 -10.719 5.883 5.408 591 HA TYR 87 HA TYR 87 -8.336 7.411 5.643 592 HD1 TYR 87 HD1 TYR 87 -6.969 8.051 3.657 593 HD2 TYR 87 HD2 TYR 87 -10.754 9.995 3.061 594 HE1 TYR 87 HE1 TYR 87 -5.802 10.053 2.773 595 HE2 TYR 87 HE2 TYR 87 -9.587 11.996 2.178 596 HH TYR 87 HH TYR 87 -7.549 12.689 1.287 597 HB2 TYR 87 HB2 TYR 87 -9.260 6.790 3.467 598 HB3 TYR 87 HB1 TYR 87 -10.705 7.757 3.771 599 H ASP 88 HN ASP 88 -11.744 8.361 5.950 600 HA ASP 88 HA ASP 88 -11.236 11.150 6.450 601 HB2 ASP 88 HB2 ASP 88 -13.596 11.153 7.296 602 HB3 ASP 88 HB1 ASP 88 -13.432 10.427 5.701 603 H GLU 89 HN GLU 89 -11.457 8.308 8.496 604 HA GLU 89 HA GLU 89 -11.668 9.653 11.019 605 HB2 GLU 89 HB2 GLU 89 -10.592 6.925 10.255 606 HB3 GLU 89 HB1 GLU 89 -10.796 7.450 11.927 607 HG2 GLU 89 HG2 GLU 89 -13.022 7.394 9.871 608 HG3 GLU 89 HG1 GLU 89 -12.736 6.119 11.053 609 H ILE 90 HN ILE 90 -8.840 8.413 9.232 610 HA ILE 90 HA ILE 90 -6.908 9.179 11.212 611 HB ILE 90 HB ILE 90 -5.265 8.973 9.305 612 HG12 ILE 90 HG12 ILE 90 -7.705 8.206 7.710 613 HG13 ILE 90 HG11 ILE 90 -6.901 9.760 7.548 614 HG21 ILE 90 HG21 ILE 90 -5.518 6.590 9.111 615 HG22 ILE 90 HG22 ILE 90 -7.249 6.691 9.428 616 HG23 ILE 90 HG23 ILE 90 -6.095 7.041 10.714 617 HD11 ILE 90 HD11 ILE 90 -5.667 7.039 7.043 618 HD12 ILE 90 HD12 ILE 90 -4.791 8.569 6.982 619 HD13 ILE 90 HD13 ILE 90 -6.078 8.244 5.823 620 H LEU 91 HN LEU 91 -8.343 10.870 8.462 621 HA LEU 91 HA LEU 91 -6.586 13.130 8.433 622 HG LEU 91 HG LEU 91 -7.510 11.776 6.236 623 HB2 LEU 91 HB2 LEU 91 -9.452 12.691 7.565 624 HB3 LEU 91 HB1 LEU 91 -8.717 14.286 7.442 625 HD11 LEU 91 HD11 LEU 91 -9.455 13.797 5.136 626 HD12 LEU 91 HD12 LEU 91 -9.420 12.048 4.917 627 HD13 LEU 91 HD13 LEU 91 -8.266 13.065 4.059 628 HD21 LEU 91 HD21 LEU 91 -6.738 14.677 6.348 629 HD22 LEU 91 HD22 LEU 91 -6.442 13.825 4.836 630 HD23 LEU 91 HD23 LEU 91 -5.720 13.239 6.325 631 H GLU 92 HN GLU 92 -9.590 12.509 10.210 632 HA GLU 92 HA GLU 92 -9.702 15.117 11.455 633 HB2 GLU 92 HB2 GLU 92 -10.925 12.449 12.262 634 HB3 GLU 92 HB1 GLU 92 -11.312 13.992 13.024 635 HG2 GLU 92 HG2 GLU 92 -11.649 13.424 10.065 636 HG3 GLU 92 HG1 GLU 92 -12.954 13.335 11.249 637 H HIS 93 HN HIS 93 -8.403 11.975 12.394 638 HA HIS 93 HA HIS 93 -7.158 11.307 14.272 639 HD1 HIS 93 HD1 HIS 93 -5.935 14.169 11.247 640 HD2 HIS 93 HD2 HIS 93 -5.582 15.408 15.211 641 HE1 HIS 93 HE1 HIS 93 -5.889 16.700 11.204 642 HB2 HIS 93 HB2 HIS 93 -5.072 12.636 14.515 643 HB3 HIS 93 HB1 HIS 93 -5.437 12.243 12.838 644 H HIS 94 HN HIS 94 -5.753 12.781 16.153 645 HA HIS 94 HA HIS 94 -7.961 14.140 17.672 646 HD1 HIS 94 HD1 HIS 94 -5.186 11.040 17.169 647 HD2 HIS 94 HD2 HIS 94 -4.281 13.461 20.440 648 HE1 HIS 94 HE1 HIS 94 -2.723 10.702 17.652 649 HB2 HIS 94 HB2 HIS 94 -6.961 13.250 19.703 650 HB3 HIS 94 HB1 HIS 94 -7.303 11.926 18.592 651 H HIS 95 HN HIS 95 -7.595 16.213 17.935 652 HA HIS 95 HA HIS 95 -4.784 17.191 18.322 653 HD1 HIS 95 HD1 HIS 95 -3.229 18.972 17.011 654 HD2 HIS 95 HD2 HIS 95 -6.741 21.164 17.505 655 HE1 HIS 95 HE1 HIS 95 -2.524 21.361 17.472 656 HB2 HIS 95 HB2 HIS 95 -5.510 17.814 16.078 657 HB3 HIS 95 HB1 HIS 95 -6.999 18.510 16.720 658 H HIS 96 HN HIS 96 -4.559 18.079 20.235 659 HA HIS 96 HA HIS 96 -6.935 19.297 21.614 660 HD1 HIS 96 HD1 HIS 96 -8.159 17.733 23.500 661 HD2 HIS 96 HD2 HIS 96 -5.020 15.375 22.099 662 HE1 HIS 96 HE1 HIS 96 -9.067 15.377 23.300 663 HB2 HIS 96 HB2 HIS 96 -4.438 18.021 22.773 664 HB3 HIS 96 HB1 HIS 96 -5.700 18.814 23.717 665 H HIS 97 HN HIS 97 -6.832 21.416 21.309 666 HA HIS 97 HA HIS 97 -4.433 22.942 20.858 667 HD1 HIS 97 HD1 HIS 97 -4.338 25.115 19.548 668 HD2 HIS 97 HD2 HIS 97 -6.730 26.432 22.698 669 HE1 HIS 97 HE1 HIS 97 -3.682 27.521 19.988 670 HB2 HIS 97 HB2 HIS 97 -6.676 23.681 20.094 671 HB3 HIS 97 HB1 HIS 97 -7.184 23.870 21.773 672 H HIS 98 HN HIS 98 -6.510 22.439 23.700 673 HA HIS 98 HA HIS 98 -4.786 24.077 25.417 674 HD1 HIS 98 HD1 HIS 98 -5.693 21.852 28.467 675 HD2 HIS 98 HD2 HIS 98 -6.645 25.827 27.643 676 HE1 HIS 98 HE1 HIS 98 -5.301 23.143 30.611 677 HB2 HIS 98 HB2 HIS 98 -7.284 23.893 25.707 678 HB3 HIS 98 HB1 HIS 98 -7.053 22.221 26.222 Start of MODEL 8 1 HA ALA 12 HA ALA 12 -6.452 13.707 -11.363 2 H1 ALA 12 HN ALA 12 -7.579 11.517 -12.799 3 HB1 ALA 12 HB1 ALA 12 -7.917 15.200 -12.504 4 HB2 ALA 12 HB2 ALA 12 -8.704 14.900 -10.956 5 HB3 ALA 12 HB3 ALA 12 -9.268 14.072 -12.409 6 H PHE 13 HN PHE 13 -9.536 11.901 -11.528 7 HA PHE 13 HA PHE 13 -9.877 11.591 -8.710 8 HD1 PHE 13 HD2 PHE 13 -12.590 11.521 -8.146 9 HD2 PHE 13 HD1 PHE 13 -11.721 11.780 -12.346 10 HE1 PHE 13 HE2 PHE 13 -14.241 13.358 -8.376 11 HE2 PHE 13 HE1 PHE 13 -13.372 13.617 -12.574 12 HZ PHE 13 HZ PHE 13 -14.631 14.407 -10.588 13 HB2 PHE 13 HB2 PHE 13 -10.891 9.936 -11.047 14 HB3 PHE 13 HB1 PHE 13 -11.410 9.684 -9.380 15 H PHE 14 HN PHE 14 -8.359 9.483 -11.130 16 HA PHE 14 HA PHE 14 -7.790 7.275 -9.408 17 HD1 PHE 14 HD1 PHE 14 -7.466 4.858 -11.078 18 HD2 PHE 14 HD2 PHE 14 -8.611 8.501 -13.048 19 HE1 PHE 14 HE1 PHE 14 -9.331 3.667 -12.200 20 HE2 PHE 14 HE2 PHE 14 -10.474 7.308 -14.169 21 HZ PHE 14 HZ PHE 14 -10.835 4.892 -13.744 22 HB2 PHE 14 HB2 PHE 14 -6.443 8.298 -11.928 23 HB3 PHE 14 HB1 PHE 14 -5.963 6.799 -11.133 24 H ASN 15 HN ASN 15 -5.903 10.164 -10.237 25 HA ASN 15 HA ASN 15 -3.513 9.485 -8.823 26 HB2 ASN 15 HB2 ASN 15 -4.760 12.159 -9.533 27 HB3 ASN 15 HB1 ASN 15 -3.163 12.007 -8.802 28 HD21 ASN 15 HD21 ASN 15 -3.559 13.105 -11.443 29 HD22 ASN 15 HD22 ASN 15 -2.834 12.052 -12.561 30 H GLU 16 HN GLU 16 -6.450 11.196 -7.832 31 HA GLU 16 HA GLU 16 -5.533 11.912 -5.202 32 HB2 GLU 16 HB2 GLU 16 -8.317 11.568 -6.366 33 HB3 GLU 16 HB1 GLU 16 -8.017 12.176 -4.736 34 HG2 GLU 16 HG2 GLU 16 -6.705 14.035 -5.630 35 HG3 GLU 16 HG1 GLU 16 -6.882 13.408 -7.268 36 H GLN 17 HN GLN 17 -7.287 9.099 -6.481 37 HA GLN 17 HA GLN 17 -7.839 7.844 -3.961 38 HB2 GLN 17 HB2 GLN 17 -7.465 6.706 -6.754 39 HB3 GLN 17 HB1 GLN 17 -7.914 5.707 -5.371 40 HG2 GLN 17 HG2 GLN 17 -9.916 7.087 -5.005 41 HG3 GLN 17 HG1 GLN 17 -9.465 8.124 -6.357 42 HE21 GLN 17 HE21 GLN 17 -11.853 7.157 -6.847 43 HE22 GLN 17 HE22 GLN 17 -11.856 5.789 -7.853 44 H LYS 18 HN LYS 18 -5.083 7.699 -6.169 45 HA LYS 18 HA LYS 18 -3.587 5.655 -4.846 46 HB2 LYS 18 HB2 LYS 18 -2.758 8.009 -6.568 47 HB3 LYS 18 HB1 LYS 18 -1.599 6.825 -5.967 48 HG2 LYS 18 HG2 LYS 18 -2.859 5.020 -7.069 49 HG3 LYS 18 HG1 LYS 18 -4.032 6.194 -7.666 50 HD2 LYS 18 HD2 LYS 18 -2.277 7.330 -8.951 51 HD3 LYS 18 HD1 LYS 18 -1.066 6.222 -8.307 52 HE2 LYS 18 HE2 LYS 18 -1.908 5.642 -10.627 53 HE3 LYS 18 HE1 LYS 18 -2.059 4.347 -9.441 54 HZ1 LYS 18 HZ1 LYS 18 -4.063 5.297 -10.988 55 HZ2 LYS 18 HZ2 LYS 18 -4.333 6.102 -9.516 56 HZ3 LYS 18 HZ3 LYS 18 -4.269 4.405 -9.560 57 H GLU 19 HN GLU 19 -3.631 9.183 -4.439 58 HA GLU 19 HA GLU 19 -1.516 9.303 -2.499 59 HB2 GLU 19 HB2 GLU 19 -2.421 11.263 -3.812 60 HB3 GLU 19 HB1 GLU 19 -3.859 11.212 -2.791 61 HG2 GLU 19 HG2 GLU 19 -2.373 12.847 -1.831 62 HG3 GLU 19 HG1 GLU 19 -2.328 11.431 -0.785 63 H LYS 20 HN LYS 20 -5.035 8.988 -2.224 64 HA LYS 20 HA LYS 20 -5.202 9.206 0.621 65 HB2 LYS 20 HB2 LYS 20 -6.949 7.787 -1.410 66 HB3 LYS 20 HB1 LYS 20 -7.367 7.901 0.299 67 HG2 LYS 20 HG2 LYS 20 -7.335 10.347 0.172 68 HG3 LYS 20 HG1 LYS 20 -6.844 10.272 -1.520 69 HD2 LYS 20 HD2 LYS 20 -8.952 9.050 -2.050 70 HD3 LYS 20 HD1 LYS 20 -9.447 9.223 -0.365 71 HE2 LYS 20 HE2 LYS 20 -8.782 11.562 -2.173 72 HE3 LYS 20 HE1 LYS 20 -10.420 10.971 -1.891 73 HZ1 LYS 20 HZ1 LYS 20 -10.118 12.680 -0.352 74 HZ2 LYS 20 HZ2 LYS 20 -8.546 12.177 0.051 75 HZ3 LYS 20 HZ3 LYS 20 -9.889 11.264 0.553 76 H VAL 21 HN VAL 21 -4.821 6.409 -1.528 77 HA VAL 21 HA VAL 21 -4.844 4.398 0.521 78 HB VAL 21 HB VAL 21 -3.562 4.408 -2.236 79 HG11 VAL 21 HG11 VAL 21 -3.747 1.873 -1.913 80 HG12 VAL 21 HG12 VAL 21 -3.976 2.213 -0.198 81 HG13 VAL 21 HG13 VAL 21 -2.475 2.681 -0.996 82 HG21 VAL 21 HG21 VAL 21 -6.096 3.011 -1.349 83 HG22 VAL 21 HG22 VAL 21 -5.562 3.369 -2.991 84 HG23 VAL 21 HG23 VAL 21 -6.119 4.671 -1.943 85 H THR 22 HN THR 22 -2.200 6.202 -1.037 86 HA THR 22 HA THR 22 -0.019 4.879 0.220 87 HB THR 22 HB THR 22 -0.120 7.844 -0.426 88 HG1 THR 22 HG1 THR 22 -0.077 7.346 -2.468 89 HG21 THR 22 HG21 THR 22 2.104 5.788 -0.409 90 HG22 THR 22 HG22 THR 22 1.873 7.074 0.775 91 HG23 THR 22 HG23 THR 22 2.288 7.474 -0.892 92 H LEU 23 HN LEU 23 -1.884 7.731 1.234 93 HA LEU 23 HA LEU 23 -0.438 8.220 3.645 94 HG LEU 23 HG LEU 23 -2.672 9.029 5.450 95 HB2 LEU 23 HB2 LEU 23 -2.040 9.837 2.590 96 HB3 LEU 23 HB1 LEU 23 -3.372 8.784 3.063 97 HD11 LEU 23 HD11 LEU 23 -0.531 10.698 4.148 98 HD12 LEU 23 HD12 LEU 23 -0.402 9.560 5.488 99 HD13 LEU 23 HD13 LEU 23 -1.105 11.147 5.753 100 HD21 LEU 23 HD21 LEU 23 -3.263 11.529 5.584 101 HD22 LEU 23 HD22 LEU 23 -4.427 10.481 4.774 102 HD23 LEU 23 HD23 LEU 23 -3.334 11.488 3.824 103 H TYR 24 HN TYR 24 -3.303 6.309 2.908 104 HA TYR 24 HA TYR 24 -3.934 5.471 5.559 105 HD1 TYR 24 HD1 TYR 24 -6.494 4.244 5.920 106 HD2 TYR 24 HD2 TYR 24 -4.102 1.860 3.263 107 HE1 TYR 24 HE1 TYR 24 -7.303 2.180 7.036 108 HE2 TYR 24 HE2 TYR 24 -4.913 -0.201 4.379 109 HH TYR 24 HH TYR 24 -6.409 -1.035 5.833 110 HB2 TYR 24 HB2 TYR 24 -5.549 5.160 3.792 111 HB3 TYR 24 HB1 TYR 24 -4.417 4.203 2.838 112 H LEU 25 HN LEU 25 -1.940 3.948 3.027 113 HA LEU 25 HA LEU 25 -1.159 1.670 4.584 114 HG LEU 25 HG LEU 25 -2.065 2.014 1.887 115 HB2 LEU 25 HB2 LEU 25 0.214 3.056 2.256 116 HB3 LEU 25 HB1 LEU 25 0.738 1.516 2.929 117 HD11 LEU 25 HD11 LEU 25 0.285 0.685 0.501 118 HD12 LEU 25 HD12 LEU 25 -0.411 2.245 0.064 119 HD13 LEU 25 HD13 LEU 25 -1.361 0.771 -0.122 120 HD21 LEU 25 HD21 LEU 25 -1.845 -0.603 1.738 121 HD22 LEU 25 HD22 LEU 25 -2.183 0.136 3.293 122 HD23 LEU 25 HD23 LEU 25 -0.544 -0.383 2.906 123 H LYS 26 HN LYS 26 0.264 4.870 4.170 124 HA LYS 26 HA LYS 26 2.701 4.396 5.548 125 HB2 LYS 26 HB2 LYS 26 2.191 6.447 4.208 126 HB3 LYS 26 HB1 LYS 26 1.099 6.972 5.491 127 HG2 LYS 26 HG2 LYS 26 2.936 7.025 7.092 128 HG3 LYS 26 HG1 LYS 26 4.044 6.371 5.886 129 HD2 LYS 26 HD2 LYS 26 3.680 8.373 4.476 130 HD3 LYS 26 HD1 LYS 26 2.604 9.035 5.707 131 HE2 LYS 26 HE2 LYS 26 5.525 8.337 6.128 132 HE3 LYS 26 HE1 LYS 26 4.889 9.967 5.908 133 HZ1 LYS 26 HZ1 LYS 26 3.602 9.747 7.897 134 HZ2 LYS 26 HZ2 LYS 26 5.214 9.349 8.259 135 HZ3 LYS 26 HZ3 LYS 26 4.052 8.122 8.078 136 H HIS 27 HN HIS 27 -0.452 5.500 6.727 137 HA HIS 27 HA HIS 27 0.369 5.780 9.476 138 HD1 HIS 27 HD1 HIS 27 -3.207 8.007 9.975 139 HD2 HIS 27 HD2 HIS 27 0.125 7.768 7.486 140 HE1 HIS 27 HE1 HIS 27 -2.563 10.390 9.409 141 HB2 HIS 27 HB2 HIS 27 -2.330 5.483 8.131 142 HB3 HIS 27 HB1 HIS 27 -2.167 5.644 9.878 143 H ASN 28 HN ASN 28 -1.203 3.148 7.663 144 HA ASN 28 HA ASN 28 -1.616 1.406 9.909 145 HB2 ASN 28 HB2 ASN 28 -1.361 0.947 6.928 146 HB3 ASN 28 HB1 ASN 28 -1.534 -0.414 8.037 147 HD21 ASN 28 HD21 ASN 28 -3.238 2.239 6.518 148 HD22 ASN 28 HD22 ASN 28 -4.763 1.896 7.181 149 H ILE 29 HN ILE 29 1.031 1.781 7.604 150 HA ILE 29 HA ILE 29 2.666 -0.079 9.245 151 HB ILE 29 HB ILE 29 2.974 0.677 6.349 152 HG12 ILE 29 HG12 ILE 29 2.222 -1.975 7.615 153 HG13 ILE 29 HG11 ILE 29 1.030 -0.822 7.016 154 HG21 ILE 29 HG21 ILE 29 4.539 -1.151 8.195 155 HG22 ILE 29 HG22 ILE 29 5.150 0.225 7.277 156 HG23 ILE 29 HG23 ILE 29 4.643 -1.239 6.436 157 HD11 ILE 29 HD11 ILE 29 3.278 -1.943 5.327 158 HD12 ILE 29 HD12 ILE 29 1.921 -0.962 4.774 159 HD13 ILE 29 HD13 ILE 29 1.645 -2.606 5.350 160 HA PRO 30 HA PRO 30 4.791 3.858 10.102 161 HB2 PRO 30 HB2 PRO 30 6.450 2.896 12.060 162 HB3 PRO 30 HB1 PRO 30 4.736 3.255 12.348 163 HG2 PRO 30 HG2 PRO 30 6.061 0.625 11.865 164 HG3 PRO 30 HG1 PRO 30 4.758 1.041 12.994 165 HD2 PRO 30 HD2 PRO 30 4.348 -0.188 10.586 166 HD3 PRO 30 HD1 PRO 30 3.118 0.825 11.381 167 H ASP 31 HN ASP 31 6.059 0.845 9.055 168 HA ASP 31 HA ASP 31 8.769 1.945 8.492 169 HB2 ASP 31 HB2 ASP 31 7.578 -0.838 8.199 170 HB3 ASP 31 HB1 ASP 31 9.232 -0.418 7.750 171 H PHE 32 HN PHE 32 5.895 2.264 7.099 172 HA PHE 32 HA PHE 32 5.993 1.324 4.463 173 HD1 PHE 32 HD2 PHE 32 5.827 5.026 3.268 174 HD2 PHE 32 HD1 PHE 32 3.093 1.716 3.349 175 HE1 PHE 32 HE2 PHE 32 5.265 5.432 0.888 176 HE2 PHE 32 HE1 PHE 32 2.530 2.120 0.974 177 HZ PHE 32 HZ PHE 32 3.618 3.979 -0.261 178 HB2 PHE 32 HB2 PHE 32 4.058 2.527 5.379 179 HB3 PHE 32 HB1 PHE 32 4.994 4.025 5.417 180 H ASN 33 HN ASN 33 7.323 1.661 2.833 181 HA ASN 33 HA ASN 33 9.201 4.010 2.908 182 HB2 ASN 33 HB2 ASN 33 10.228 1.719 3.048 183 HB3 ASN 33 HB1 ASN 33 9.527 1.354 1.469 184 HD21 ASN 33 HD21 ASN 33 12.388 1.435 1.956 185 HD22 ASN 33 HD22 ASN 33 13.027 2.714 1.041 186 H THR 34 HN THR 34 7.904 1.768 0.433 187 HA THR 34 HA THR 34 6.838 4.084 -1.092 188 HB THR 34 HB THR 34 9.106 3.906 -1.933 189 HG1 THR 34 HG1 THR 34 7.823 4.313 -3.596 190 HG21 THR 34 HG21 THR 34 9.856 1.758 -3.014 191 HG22 THR 34 HG22 THR 34 8.448 0.968 -2.304 192 HG23 THR 34 HG23 THR 34 9.694 1.657 -1.261 193 H VAL 35 HN VAL 35 5.475 3.412 -2.877 194 HA VAL 35 HA VAL 35 4.503 0.590 -2.787 195 HB VAL 35 HB VAL 35 3.077 1.928 -1.262 196 HG11 VAL 35 HG11 VAL 35 2.213 3.499 -3.692 197 HG12 VAL 35 HG12 VAL 35 3.465 4.088 -2.599 198 HG13 VAL 35 HG13 VAL 35 1.829 3.810 -2.000 199 HG21 VAL 35 HG21 VAL 35 1.660 1.234 -3.850 200 HG22 VAL 35 HG22 VAL 35 0.946 1.279 -2.237 201 HG23 VAL 35 HG23 VAL 35 2.146 0.051 -2.636 202 H THR 36 HN THR 36 3.845 -0.157 -4.736 203 HA THR 36 HA THR 36 3.663 1.774 -7.031 204 HB THR 36 HB THR 36 5.053 -0.923 -7.016 205 HG1 THR 36 HG1 THR 36 6.880 0.259 -7.147 206 HG21 THR 36 HG21 THR 36 3.958 -0.560 -9.148 207 HG22 THR 36 HG22 THR 36 5.680 -0.231 -9.353 208 HG23 THR 36 HG23 THR 36 4.538 1.105 -9.205 209 H PHE 37 HN PHE 37 1.806 1.590 -8.059 210 HA PHE 37 HA PHE 37 0.027 -0.714 -7.515 211 HD1 PHE 37 HD1 PHE 37 -1.581 0.007 -5.972 212 HD2 PHE 37 HD2 PHE 37 -0.257 3.716 -7.691 213 HE1 PHE 37 HE1 PHE 37 -1.817 1.116 -3.765 214 HE2 PHE 37 HE2 PHE 37 -0.491 4.821 -5.483 215 HZ PHE 37 HZ PHE 37 -1.273 3.523 -3.522 216 HB2 PHE 37 HB2 PHE 37 -0.493 1.833 -9.077 217 HB3 PHE 37 HB1 PHE 37 -1.702 0.641 -8.592 218 H THR 38 HN THR 38 -0.675 -2.121 -9.076 219 HA THR 38 HA THR 38 -0.255 -1.805 -11.876 220 HB THR 38 HB THR 38 2.056 -2.130 -11.584 221 HG1 THR 38 HG1 THR 38 2.237 -3.806 -12.824 222 HG21 THR 38 HG21 THR 38 2.981 -3.944 -10.125 223 HG22 THR 38 HG22 THR 38 1.343 -4.262 -9.550 224 HG23 THR 38 HG23 THR 38 2.103 -2.702 -9.232 225 H ASN 39 HN ASN 39 -1.808 -2.967 -12.707 226 HA ASN 39 HA ASN 39 -3.144 -4.834 -13.242 227 HB2 ASN 39 HB2 ASN 39 -2.160 -6.296 -10.798 228 HB3 ASN 39 HB1 ASN 39 -2.719 -6.948 -12.333 229 HD21 ASN 39 HD21 ASN 39 -1.054 -4.871 -13.859 230 HD22 ASN 39 HD22 ASN 39 0.537 -5.457 -13.770 231 H GLU 40 HN GLU 40 -5.120 -5.745 -12.479 232 HA GLU 40 HA GLU 40 -7.106 -5.759 -11.276 233 HB2 GLU 40 HB2 GLU 40 -5.306 -6.126 -9.355 234 HB3 GLU 40 HB1 GLU 40 -5.794 -4.496 -8.890 235 HG2 GLU 40 HG2 GLU 40 -7.250 -5.956 -7.686 236 HG3 GLU 40 HG1 GLU 40 -8.204 -5.335 -9.029 237 H GLU 41 HN GLU 41 -8.271 -4.252 -12.335 238 HA GLU 41 HA GLU 41 -8.368 -1.521 -11.165 239 HB2 GLU 41 HB2 GLU 41 -7.965 -2.127 -14.112 240 HB3 GLU 41 HB1 GLU 41 -8.468 -0.551 -13.492 241 HG2 GLU 41 HG2 GLU 41 -6.427 -0.416 -12.129 242 HG3 GLU 41 HG1 GLU 41 -5.921 -1.999 -12.711 243 H PHE 42 HN PHE 42 -9.800 -4.190 -12.821 244 HA PHE 42 HA PHE 42 -12.492 -2.845 -12.719 245 HD1 PHE 42 HD2 PHE 42 -14.025 -2.363 -14.933 246 HD2 PHE 42 HD1 PHE 42 -9.957 -3.453 -15.774 247 HE1 PHE 42 HE2 PHE 42 -13.812 -0.402 -16.436 248 HE2 PHE 42 HE1 PHE 42 -9.742 -1.491 -17.276 249 HZ PHE 42 HZ PHE 42 -11.670 0.034 -17.607 250 HB2 PHE 42 HB2 PHE 42 -11.397 -4.965 -14.587 251 HB3 PHE 42 HB1 PHE 42 -13.126 -4.641 -14.425 252 H ASN 43 HN ASN 43 -13.999 -3.720 -11.487 253 HA ASN 43 HA ASN 43 -14.160 -6.502 -10.822 254 HB2 ASN 43 HB2 ASN 43 -12.812 -4.653 -8.883 255 HB3 ASN 43 HB1 ASN 43 -13.868 -5.898 -8.224 256 HD21 ASN 43 HD21 ASN 43 -10.834 -5.662 -8.165 257 HD22 ASN 43 HD22 ASN 43 -10.277 -7.131 -8.807 258 HA PRO 44 HA PRO 44 -18.408 -5.510 -10.058 259 HB2 PRO 44 HB2 PRO 44 -18.078 -6.781 -7.347 260 HB3 PRO 44 HB1 PRO 44 -19.313 -7.080 -8.586 261 HG2 PRO 44 HG2 PRO 44 -17.261 -8.768 -8.183 262 HG3 PRO 44 HG1 PRO 44 -17.962 -8.494 -9.788 263 HD2 PRO 44 HD2 PRO 44 -15.338 -7.614 -8.725 264 HD3 PRO 44 HD1 PRO 44 -15.864 -7.845 -10.404 265 H ILE 45 HN ILE 45 -16.171 -4.930 -7.370 266 HA ILE 45 HA ILE 45 -17.875 -2.906 -6.127 267 HB ILE 45 HB ILE 45 -14.918 -3.252 -5.582 268 HG12 ILE 45 HG12 ILE 45 -17.186 -5.002 -4.562 269 HG13 ILE 45 HG11 ILE 45 -15.907 -5.522 -5.657 270 HG21 ILE 45 HG21 ILE 45 -17.208 -2.792 -3.659 271 HG22 ILE 45 HG22 ILE 45 -16.429 -1.457 -4.505 272 HG23 ILE 45 HG23 ILE 45 -15.494 -2.471 -3.406 273 HD11 ILE 45 HD11 ILE 45 -15.152 -6.236 -3.543 274 HD12 ILE 45 HD12 ILE 45 -15.683 -4.752 -2.754 275 HD13 ILE 45 HD13 ILE 45 -14.273 -4.731 -3.813 276 H GLY 46 HN GLY 46 -17.249 -2.488 -8.894 277 HA2 GLY 46 HA2 GLY 46 -16.921 -0.545 -10.191 278 HA3 GLY 46 HA1 GLY 46 -16.337 0.285 -8.748 279 H ILE 47 HN ILE 47 -14.205 0.545 -8.511 280 HA ILE 47 HA ILE 47 -12.378 -0.931 -10.380 281 HB ILE 47 HB ILE 47 -10.955 1.072 -10.369 282 HG12 ILE 47 HG12 ILE 47 -13.193 2.434 -8.847 283 HG13 ILE 47 HG11 ILE 47 -11.709 1.879 -8.075 284 HG21 ILE 47 HG21 ILE 47 -12.367 2.438 -11.769 285 HG22 ILE 47 HG22 ILE 47 -13.825 1.811 -10.997 286 HG23 ILE 47 HG23 ILE 47 -12.840 0.757 -12.017 287 HD11 ILE 47 HD11 ILE 47 -10.406 3.291 -9.670 288 HD12 ILE 47 HD12 ILE 47 -11.475 4.234 -8.633 289 HD13 ILE 47 HD13 ILE 47 -11.927 3.915 -10.308 290 H SER 48 HN SER 48 -10.390 -1.573 -9.572 291 HA SER 48 HA SER 48 -10.069 -1.467 -6.585 292 HG SER 48 HG SER 48 -11.190 -3.267 -6.049 293 HB2 SER 48 HB2 SER 48 -9.838 -3.805 -8.472 294 HB3 SER 48 HB1 SER 48 -9.063 -3.812 -6.890 295 H ILE 49 HN ILE 49 -7.932 -1.625 -5.833 296 HA ILE 49 HA ILE 49 -5.802 -0.961 -7.849 297 HB ILE 49 HB ILE 49 -6.188 0.152 -5.050 298 HG12 ILE 49 HG12 ILE 49 -6.090 1.580 -7.720 299 HG13 ILE 49 HG11 ILE 49 -7.598 1.089 -6.948 300 HG21 ILE 49 HG21 ILE 49 -4.162 1.546 -5.750 301 HG22 ILE 49 HG22 ILE 49 -3.936 0.384 -7.057 302 HG23 ILE 49 HG23 ILE 49 -3.840 -0.147 -5.377 303 HD11 ILE 49 HD11 ILE 49 -5.509 2.943 -5.763 304 HD12 ILE 49 HD12 ILE 49 -6.976 2.413 -4.939 305 HD13 ILE 49 HD13 ILE 49 -7.090 3.422 -6.382 306 H ASP 50 HN ASP 50 -4.199 -2.371 -7.859 307 HA ASP 50 HA ASP 50 -3.587 -3.950 -5.380 308 HB2 ASP 50 HB2 ASP 50 -4.795 -5.354 -7.007 309 HB3 ASP 50 HB1 ASP 50 -3.596 -4.955 -8.242 310 H GLY 51 HN GLY 51 -1.522 -3.865 -4.807 311 HA2 GLY 51 HA2 GLY 51 0.646 -3.546 -6.748 312 HA3 GLY 51 HA1 GLY 51 0.390 -2.132 -5.728 313 H TYR 52 HN TYR 52 2.593 -2.638 -5.004 314 HA TYR 52 HA TYR 52 2.516 -4.419 -2.620 315 HD1 TYR 52 HD1 TYR 52 6.215 -3.253 -3.975 316 HD2 TYR 52 HD2 TYR 52 3.576 -5.397 -6.601 317 HE1 TYR 52 HE1 TYR 52 7.399 -2.308 -5.940 318 HE2 TYR 52 HE2 TYR 52 4.758 -4.451 -8.564 319 HH TYR 52 HH TYR 52 7.733 -2.662 -8.228 320 HB2 TYR 52 HB2 TYR 52 4.822 -5.248 -3.214 321 HB3 TYR 52 HB1 TYR 52 3.547 -5.850 -4.269 322 H ILE 53 HN ILE 53 4.321 -3.964 -1.140 323 HA ILE 53 HA ILE 53 5.323 -1.138 -1.431 324 HB ILE 53 HB ILE 53 5.104 -0.891 0.991 325 HG12 ILE 53 HG12 ILE 53 3.698 -3.580 1.019 326 HG13 ILE 53 HG11 ILE 53 5.392 -3.416 1.453 327 HG21 ILE 53 HG21 ILE 53 3.189 -0.147 -0.193 328 HG22 ILE 53 HG22 ILE 53 2.539 -1.155 1.099 329 HG23 ILE 53 HG23 ILE 53 2.660 -1.791 -0.543 330 HD11 ILE 53 HD11 ILE 53 3.004 -2.201 2.839 331 HD12 ILE 53 HD12 ILE 53 4.644 -1.622 3.123 332 HD13 ILE 53 HD13 ILE 53 4.222 -3.285 3.509 333 H ASN 54 HN ASN 54 7.265 -0.693 -0.206 334 HA ASN 54 HA ASN 54 9.516 -1.069 0.251 335 HB2 ASN 54 HB2 ASN 54 8.637 -3.821 1.155 336 HB3 ASN 54 HB1 ASN 54 10.054 -2.915 1.681 337 HD21 ASN 54 HD21 ASN 54 9.747 -1.978 3.700 338 HD22 ASN 54 HD22 ASN 54 8.270 -1.406 4.303 339 H ASN 55 HN ASN 55 8.431 -1.759 -2.369 340 HA ASN 55 HA ASN 55 9.022 -2.865 -4.345 341 HB2 ASN 55 HB2 ASN 55 11.131 -1.518 -3.552 342 HB3 ASN 55 HB1 ASN 55 11.810 -3.111 -3.217 343 HD21 ASN 55 HD21 ASN 55 10.906 -0.877 -5.767 344 HD22 ASN 55 HD22 ASN 55 11.429 -1.837 -7.064 345 H ASP 56 HN ASP 56 8.076 -4.529 -2.179 346 HA ASP 56 HA ASP 56 9.563 -7.088 -2.708 347 HB2 ASP 56 HB2 ASP 56 9.374 -6.253 -0.309 348 HB3 ASP 56 HB1 ASP 56 7.640 -6.545 -0.442 349 H LYS 57 HN LYS 57 8.558 -8.146 -4.292 350 HA LYS 57 HA LYS 57 5.875 -7.806 -5.155 351 HB2 LYS 57 HB2 LYS 57 7.831 -10.109 -5.454 352 HB3 LYS 57 HB1 LYS 57 6.244 -10.112 -6.220 353 HG2 LYS 57 HG2 LYS 57 8.023 -7.708 -6.593 354 HG3 LYS 57 HG1 LYS 57 8.366 -9.165 -7.524 355 HD2 LYS 57 HD2 LYS 57 5.528 -8.152 -7.433 356 HD3 LYS 57 HD1 LYS 57 6.689 -7.327 -8.471 357 HE2 LYS 57 HE2 LYS 57 6.372 -10.330 -8.542 358 HE3 LYS 57 HE1 LYS 57 5.351 -9.270 -9.512 359 HZ1 LYS 57 HZ1 LYS 57 6.983 -9.148 -10.979 360 HZ2 LYS 57 HZ2 LYS 57 7.999 -10.089 -9.994 361 HZ3 LYS 57 HZ3 LYS 57 7.969 -8.399 -9.821 362 H ASN 58 HN ASN 58 7.302 -9.898 -2.735 363 HA ASN 58 HA ASN 58 5.113 -11.680 -2.298 364 HB2 ASN 58 HB2 ASN 58 7.261 -10.638 -0.415 365 HB3 ASN 58 HB1 ASN 58 6.147 -11.940 -0.000 366 HD21 ASN 58 HD21 ASN 58 6.442 -12.516 -3.161 367 HD22 ASN 58 HD22 ASN 58 7.826 -13.498 -3.192 368 H LEU 59 HN LEU 59 5.895 -8.497 -0.954 369 HA LEU 59 HA LEU 59 3.534 -8.505 0.802 370 HG LEU 59 HG LEU 59 6.672 -8.178 0.968 371 HB2 LEU 59 HB2 LEU 59 5.404 -6.205 0.154 372 HB3 LEU 59 HB1 LEU 59 4.326 -6.346 1.536 373 HD11 LEU 59 HD11 LEU 59 7.151 -5.767 1.712 374 HD12 LEU 59 HD12 LEU 59 7.829 -7.048 2.716 375 HD13 LEU 59 HD13 LEU 59 6.374 -6.200 3.235 376 HD21 LEU 59 HD21 LEU 59 5.101 -9.471 2.182 377 HD22 LEU 59 HD22 LEU 59 4.572 -8.088 3.137 378 HD23 LEU 59 HD23 LEU 59 6.147 -8.812 3.437 379 H SER 60 HN SER 60 1.933 -8.778 -0.848 380 HA SER 60 HA SER 60 1.519 -6.506 -2.727 381 HG SER 60 HG SER 60 0.494 -9.801 -1.723 382 HB2 SER 60 HB2 SER 60 -0.226 -7.919 -3.713 383 HB3 SER 60 HB1 SER 60 1.290 -8.802 -3.597 384 H PHE 61 HN PHE 61 -0.349 -5.261 -2.699 385 HA PHE 61 HA PHE 61 -2.128 -5.557 -0.311 386 HD1 PHE 61 HD2 PHE 61 -3.713 -4.088 0.544 387 HD2 PHE 61 HD1 PHE 61 0.220 -2.692 1.531 388 HE1 PHE 61 HE2 PHE 61 -4.391 -3.895 2.903 389 HE2 PHE 61 HE1 PHE 61 -0.452 -2.507 3.905 390 HZ PHE 61 HZ PHE 61 -2.761 -3.102 4.593 391 HB2 PHE 61 HB2 PHE 61 -0.205 -3.522 -0.635 392 HB3 PHE 61 HB1 PHE 61 -1.699 -2.738 -1.137 393 H THR 62 HN THR 62 -4.241 -5.266 -0.710 394 HA THR 62 HA THR 62 -5.076 -4.202 -3.386 395 HB THR 62 HB THR 62 -6.301 -6.568 -1.942 396 HG1 THR 62 HG1 THR 62 -4.906 -6.559 -4.393 397 HG21 THR 62 HG21 THR 62 -7.938 -5.337 -3.238 398 HG22 THR 62 HG22 THR 62 -7.509 -6.793 -4.136 399 HG23 THR 62 HG23 THR 62 -6.834 -5.234 -4.610 400 H ALA 63 HN ALA 63 -6.529 -2.664 -3.271 401 HA ALA 63 HA ALA 63 -8.371 -2.452 -0.938 402 HB1 ALA 63 HB1 ALA 63 -7.871 -0.117 -0.609 403 HB2 ALA 63 HB2 ALA 63 -6.770 -0.106 -1.986 404 HB3 ALA 63 HB3 ALA 63 -6.350 -1.005 -0.527 405 H GLY 64 HN GLY 64 -10.290 -1.386 -1.421 406 HA2 GLY 64 HA2 GLY 64 -10.985 -1.313 -4.293 407 HA3 GLY 64 HA1 GLY 64 -12.118 -1.249 -2.944 408 H LYS 65 HN LYS 65 -11.417 0.474 -5.403 409 HA LYS 65 HA LYS 65 -11.204 2.745 -5.972 410 HB2 LYS 65 HB2 LYS 65 -13.139 2.914 -3.645 411 HB3 LYS 65 HB1 LYS 65 -12.927 4.138 -4.896 412 HG2 LYS 65 HG2 LYS 65 -13.557 2.411 -6.598 413 HG3 LYS 65 HG1 LYS 65 -13.920 1.301 -5.283 414 HD2 LYS 65 HD2 LYS 65 -15.553 2.968 -4.389 415 HD3 LYS 65 HD1 LYS 65 -15.235 3.980 -5.798 416 HE2 LYS 65 HE2 LYS 65 -16.016 2.198 -7.288 417 HE3 LYS 65 HE1 LYS 65 -16.297 1.144 -5.903 418 HZ1 LYS 65 HZ1 LYS 65 -18.149 2.257 -5.311 419 HZ2 LYS 65 HZ2 LYS 65 -18.176 2.686 -6.955 420 HZ3 LYS 65 HZ3 LYS 65 -17.551 3.767 -5.802 421 H ASP 66 HN ASP 66 -11.973 4.096 -2.998 422 HA ASP 66 HA ASP 66 -9.315 5.294 -2.754 423 HB2 ASP 66 HB2 ASP 66 -10.391 6.503 -0.818 424 HB3 ASP 66 HB1 ASP 66 -11.232 6.719 -2.350 425 H VAL 67 HN VAL 67 -11.411 3.739 -0.307 426 HA VAL 67 HA VAL 67 -9.112 2.116 0.633 427 HB VAL 67 HB VAL 67 -10.707 3.734 2.637 428 HG11 VAL 67 HG11 VAL 67 -8.582 3.394 3.948 429 HG12 VAL 67 HG12 VAL 67 -7.988 2.389 2.630 430 HG13 VAL 67 HG13 VAL 67 -9.414 1.894 3.541 431 HG21 VAL 67 HG21 VAL 67 -9.743 5.399 1.154 432 HG22 VAL 67 HG22 VAL 67 -8.188 4.567 1.167 433 HG23 VAL 67 HG23 VAL 67 -8.780 5.346 2.630 434 H LYS 68 HN LYS 68 -12.104 2.059 -0.453 435 HA LYS 68 HA LYS 68 -13.665 0.715 1.547 436 HB2 LYS 68 HB2 LYS 68 -14.615 1.763 -0.512 437 HB3 LYS 68 HB1 LYS 68 -13.882 0.477 -1.472 438 HG2 LYS 68 HG2 LYS 68 -15.185 -1.210 -0.253 439 HG3 LYS 68 HG1 LYS 68 -15.881 0.048 0.769 440 HD2 LYS 68 HD2 LYS 68 -16.897 1.104 -1.220 441 HD3 LYS 68 HD1 LYS 68 -16.215 -0.163 -2.239 442 HE2 LYS 68 HE2 LYS 68 -17.505 -1.863 -1.019 443 HE3 LYS 68 HE1 LYS 68 -18.163 -0.619 0.043 444 HZ1 LYS 68 HZ1 LYS 68 -19.639 -0.007 -1.490 445 HZ2 LYS 68 HZ2 LYS 68 -19.266 -1.458 -2.292 446 HZ3 LYS 68 HZ3 LYS 68 -18.494 -0.012 -2.741 447 H ILE 69 HN ILE 69 -13.250 -1.167 2.400 448 HA ILE 69 HA ILE 69 -12.532 -3.362 2.720 449 HB ILE 69 HB ILE 69 -13.161 -3.480 -0.241 450 HG12 ILE 69 HG12 ILE 69 -14.771 -4.467 2.129 451 HG13 ILE 69 HG11 ILE 69 -14.999 -2.867 1.424 452 HG21 ILE 69 HG21 ILE 69 -12.555 -5.638 1.790 453 HG22 ILE 69 HG22 ILE 69 -11.721 -5.331 0.267 454 HG23 ILE 69 HG23 ILE 69 -13.368 -5.958 0.259 455 HD11 ILE 69 HD11 ILE 69 -16.522 -4.771 0.565 456 HD12 ILE 69 HD12 ILE 69 -15.090 -5.357 -0.283 457 HD13 ILE 69 HD13 ILE 69 -15.733 -3.755 -0.641 458 H PHE 70 HN PHE 70 -10.526 -4.021 3.070 459 HA PHE 70 HA PHE 70 -8.463 -3.706 0.943 460 HD1 PHE 70 HD2 PHE 70 -10.001 -1.239 3.683 461 HD2 PHE 70 HD1 PHE 70 -6.977 -4.004 4.973 462 HE1 PHE 70 HE2 PHE 70 -10.847 -1.079 6.015 463 HE2 PHE 70 HE1 PHE 70 -7.822 -3.845 7.302 464 HZ PHE 70 HZ PHE 70 -9.757 -2.383 7.822 465 HB2 PHE 70 HB2 PHE 70 -6.864 -2.957 2.777 466 HB3 PHE 70 HB1 PHE 70 -8.062 -1.769 2.266 467 H SER 71 HN SER 71 -7.280 -5.448 0.708 468 HA SER 71 HA SER 71 -7.100 -7.440 2.948 469 HG SER 71 HG SER 71 -9.032 -8.914 2.137 470 HB2 SER 71 HB2 SER 71 -7.499 -7.964 -0.013 471 HB3 SER 71 HB1 SER 71 -7.101 -9.205 1.174 472 H SER 72 HN SER 72 -5.163 -8.670 2.961 473 HA SER 72 HA SER 72 -2.974 -7.917 1.131 474 HG SER 72 HG SER 72 -2.487 -7.934 4.872 475 HB2 SER 72 HB2 SER 72 -1.494 -7.333 3.091 476 HB3 SER 72 HB1 SER 72 -2.748 -6.151 2.737 477 H SER 73 HN SER 73 -1.024 -9.178 1.574 478 HA SER 73 HA SER 73 -1.638 -11.963 1.977 479 HG SER 73 HG SER 73 1.196 -9.652 1.005 480 HB2 SER 73 HB2 SER 73 0.886 -12.222 1.853 481 HB3 SER 73 HB1 SER 73 0.154 -11.403 0.479 482 H GLU 74 HN GLU 74 -0.502 -13.344 3.544 483 HA GLU 74 HA GLU 74 -1.094 -12.658 6.224 484 HB2 GLU 74 HB2 GLU 74 0.844 -14.713 5.098 485 HB3 GLU 74 HB1 GLU 74 0.371 -14.635 6.795 486 HG2 GLU 74 HG2 GLU 74 -1.970 -14.993 6.203 487 HG3 GLU 74 HG1 GLU 74 -1.569 -14.958 4.486 488 H GLU 75 HN GLU 75 2.054 -12.727 4.552 489 HA GLU 75 HA GLU 75 3.626 -11.807 6.753 490 HB2 GLU 75 HB2 GLU 75 4.058 -11.573 3.757 491 HB3 GLU 75 HB1 GLU 75 5.279 -11.156 4.959 492 HG2 GLU 75 HG2 GLU 75 5.228 -13.445 5.844 493 HG3 GLU 75 HG1 GLU 75 3.958 -13.874 4.699 494 H LEU 76 HN LEU 76 1.965 -10.063 4.138 495 HA LEU 76 HA LEU 76 2.928 -7.465 4.999 496 HG LEU 76 HG LEU 76 0.273 -6.000 3.934 497 HB2 LEU 76 HB2 LEU 76 2.320 -7.846 2.670 498 HB3 LEU 76 HB1 LEU 76 0.674 -8.265 3.127 499 HD11 LEU 76 HD11 LEU 76 2.178 -4.299 3.386 500 HD12 LEU 76 HD12 LEU 76 3.233 -5.706 3.454 501 HD13 LEU 76 HD13 LEU 76 2.285 -5.245 4.861 502 HD21 LEU 76 HD21 LEU 76 1.277 -6.456 1.154 503 HD22 LEU 76 HD22 LEU 76 1.078 -4.785 1.644 504 HD23 LEU 76 HD23 LEU 76 -0.290 -5.882 1.712 505 H ASP 77 HN ASP 77 0.283 -9.509 5.857 506 HA ASP 77 HA ASP 77 -1.472 -7.463 6.922 507 HB2 ASP 77 HB2 ASP 77 -2.283 -9.717 6.292 508 HB3 ASP 77 HB1 ASP 77 -1.292 -10.431 7.563 509 H LYS 78 HN LYS 78 1.105 -9.486 8.233 510 HA LYS 78 HA LYS 78 0.694 -8.617 10.990 511 HB2 LYS 78 HB2 LYS 78 2.882 -9.812 11.375 512 HB3 LYS 78 HB1 LYS 78 1.644 -10.807 10.614 513 HG2 LYS 78 HG2 LYS 78 2.647 -10.516 8.439 514 HG3 LYS 78 HG1 LYS 78 3.782 -9.323 9.058 515 HD2 LYS 78 HD2 LYS 78 5.024 -11.356 8.921 516 HD3 LYS 78 HD1 LYS 78 4.634 -11.166 10.629 517 HE2 LYS 78 HE2 LYS 78 2.870 -12.780 10.502 518 HE3 LYS 78 HE1 LYS 78 2.914 -12.796 8.741 519 HZ1 LYS 78 HZ1 LYS 78 5.204 -13.613 10.434 520 HZ2 LYS 78 HZ2 LYS 78 5.018 -13.840 8.761 521 HZ3 LYS 78 HZ3 LYS 78 4.043 -14.703 9.852 522 H MET 79 HN MET 79 2.082 -7.157 8.294 523 HA MET 79 HA MET 79 4.380 -5.869 9.421 524 HB2 MET 79 HB2 MET 79 2.508 -5.152 7.155 525 HB3 MET 79 HB1 MET 79 3.873 -4.122 7.583 526 HG2 MET 79 HG2 MET 79 4.143 -7.068 6.963 527 HG3 MET 79 HG1 MET 79 4.377 -5.807 5.759 528 HE1 MET 79 HE1 MET 79 6.106 -3.410 7.502 529 HE2 MET 79 HE2 MET 79 5.755 -3.988 5.877 530 HE3 MET 79 HE3 MET 79 7.410 -4.008 6.470 531 H PHE 80 HN PHE 80 0.961 -4.895 9.253 532 HA PHE 80 HA PHE 80 1.578 -2.553 11.011 533 HD1 PHE 80 HD2 PHE 80 -2.461 -3.652 10.783 534 HD2 PHE 80 HD1 PHE 80 0.062 -3.590 7.306 535 HE1 PHE 80 HE2 PHE 80 -3.954 -5.289 9.668 536 HE2 PHE 80 HE1 PHE 80 -1.434 -5.224 6.192 537 HZ PHE 80 HZ PHE 80 -3.440 -6.075 7.374 538 HB2 PHE 80 HB2 PHE 80 -0.768 -1.866 10.417 539 HB3 PHE 80 HB1 PHE 80 0.333 -1.946 9.045 540 H GLN 81 HN GLN 81 1.133 -2.680 13.086 541 HA GLN 81 HA GLN 81 -0.481 -4.960 14.126 542 HB2 GLN 81 HB2 GLN 81 1.903 -4.243 14.962 543 HB3 GLN 81 HB1 GLN 81 1.044 -2.964 15.819 544 HG2 GLN 81 HG2 GLN 81 1.207 -4.815 17.344 545 HG3 GLN 81 HG1 GLN 81 -0.464 -4.775 16.778 546 HE21 GLN 81 HE21 GLN 81 2.671 -6.234 15.720 547 HE22 GLN 81 HE22 GLN 81 1.993 -7.725 15.278 548 H GLU 82 HN GLU 82 -0.884 -1.725 13.312 549 HA GLU 82 HA GLU 82 -3.294 -1.501 15.091 550 HB2 GLU 82 HB2 GLU 82 -1.172 0.588 14.569 551 HB3 GLU 82 HB1 GLU 82 -2.785 0.997 15.159 552 HG2 GLU 82 HG2 GLU 82 -2.495 -0.306 17.147 553 HG3 GLU 82 HG1 GLU 82 -1.030 -1.060 16.519 554 HA PRO 83 HA PRO 83 -4.454 -1.156 10.586 555 HB2 PRO 83 HB2 PRO 83 -7.043 -1.930 11.890 556 HB3 PRO 83 HB1 PRO 83 -6.295 -2.564 10.408 557 HG2 PRO 83 HG2 PRO 83 -6.260 -3.969 12.660 558 HG3 PRO 83 HG1 PRO 83 -4.853 -3.948 11.580 559 HD2 PRO 83 HD2 PRO 83 -5.251 -2.512 14.187 560 HD3 PRO 83 HD1 PRO 83 -3.778 -3.257 13.523 561 H ARG 84 HN ARG 84 -5.315 0.611 9.632 562 HA ARG 84 HA ARG 84 -6.518 2.714 11.363 563 HE ARG 84 HE ARG 84 -4.516 5.741 10.126 564 HB2 ARG 84 HB2 ARG 84 -5.499 2.924 8.511 565 HB3 ARG 84 HB1 ARG 84 -5.890 4.258 9.598 566 HG2 ARG 84 HG2 ARG 84 -3.795 2.205 10.337 567 HG3 ARG 84 HG1 ARG 84 -3.394 3.615 9.368 568 HD2 ARG 84 HD2 ARG 84 -4.702 3.730 12.108 569 HD3 ARG 84 HD1 ARG 84 -2.993 3.987 11.799 570 HH11 ARG 84 HH21 ARG 84 -3.634 5.178 13.437 571 HH12 ARG 84 HH22 ARG 84 -3.746 6.851 13.871 572 HH21 ARG 84 HH11 ARG 84 -4.641 7.908 10.696 573 HH22 ARG 84 HH12 ARG 84 -4.313 8.389 12.325 574 H LYS 85 HN LYS 85 -8.270 4.005 10.456 575 HA LYS 85 HA LYS 85 -10.353 2.237 9.325 576 HB2 LYS 85 HB2 LYS 85 -10.608 5.107 10.255 577 HB3 LYS 85 HB1 LYS 85 -11.909 3.944 10.025 578 HG2 LYS 85 HG2 LYS 85 -9.668 3.647 12.047 579 HG3 LYS 85 HG1 LYS 85 -11.301 4.195 12.426 580 HD2 LYS 85 HD2 LYS 85 -12.093 1.990 11.330 581 HD3 LYS 85 HD1 LYS 85 -10.413 1.470 11.470 582 HE2 LYS 85 HE2 LYS 85 -10.467 1.868 13.890 583 HE3 LYS 85 HE1 LYS 85 -12.139 2.418 13.770 584 HZ1 LYS 85 HZ1 LYS 85 -12.891 0.335 13.610 585 HZ2 LYS 85 HZ2 LYS 85 -11.379 -0.127 14.232 586 HZ3 LYS 85 HZ3 LYS 85 -11.654 -0.151 12.556 587 H GLY 86 HN GLY 86 -11.559 5.025 8.497 588 HA2 GLY 86 HA2 GLY 86 -10.961 4.680 5.655 589 HA3 GLY 86 HA1 GLY 86 -12.129 5.802 6.340 590 H TYR 87 HN TYR 87 -10.650 6.676 4.299 591 HA TYR 87 HA TYR 87 -8.133 7.870 4.846 592 HD1 TYR 87 HD1 TYR 87 -6.561 8.573 2.997 593 HD2 TYR 87 HD2 TYR 87 -10.023 11.088 2.630 594 HE1 TYR 87 HE1 TYR 87 -5.098 10.520 2.530 595 HE2 TYR 87 HE2 TYR 87 -8.558 13.032 2.156 596 HH TYR 87 HH TYR 87 -5.124 12.657 1.620 597 HB2 TYR 87 HB2 TYR 87 -8.957 7.669 2.561 598 HB3 TYR 87 HB1 TYR 87 -10.299 8.759 2.918 599 H ASP 88 HN ASP 88 -11.424 9.177 5.162 600 HA ASP 88 HA ASP 88 -10.660 11.830 5.878 601 HB2 ASP 88 HB2 ASP 88 -12.965 11.146 5.202 602 HB3 ASP 88 HB1 ASP 88 -13.145 10.313 6.747 603 H GLU 89 HN GLU 89 -11.216 8.924 7.803 604 HA GLU 89 HA GLU 89 -11.091 10.106 10.384 605 HB2 GLU 89 HB2 GLU 89 -11.785 7.735 9.865 606 HB3 GLU 89 HB1 GLU 89 -10.084 7.349 9.602 607 HG2 GLU 89 HG2 GLU 89 -10.611 6.746 11.882 608 HG3 GLU 89 HG1 GLU 89 -9.616 8.195 11.939 609 H ILE 90 HN ILE 90 -8.463 8.610 8.438 610 HA ILE 90 HA ILE 90 -6.397 9.308 10.348 611 HB ILE 90 HB ILE 90 -4.815 8.812 8.473 612 HG12 ILE 90 HG12 ILE 90 -7.348 8.361 6.885 613 HG13 ILE 90 HG11 ILE 90 -6.219 9.688 6.629 614 HG21 ILE 90 HG21 ILE 90 -5.186 6.497 8.484 615 HG22 ILE 90 HG22 ILE 90 -6.941 6.676 8.497 616 HG23 ILE 90 HG23 ILE 90 -6.006 7.037 9.948 617 HD11 ILE 90 HD11 ILE 90 -5.510 8.109 5.033 618 HD12 ILE 90 HD12 ILE 90 -5.818 6.747 6.107 619 HD13 ILE 90 HD13 ILE 90 -4.425 7.791 6.388 620 H LEU 91 HN LEU 91 -7.876 10.935 7.643 621 HA LEU 91 HA LEU 91 -5.924 12.982 7.258 622 HG LEU 91 HG LEU 91 -7.918 15.322 6.873 623 HB2 LEU 91 HB2 LEU 91 -7.752 12.548 5.640 624 HB3 LEU 91 HB1 LEU 91 -8.940 13.068 6.835 625 HD11 LEU 91 HD11 LEU 91 -5.660 15.097 6.365 626 HD12 LEU 91 HD12 LEU 91 -6.270 15.678 4.820 627 HD13 LEU 91 HD13 LEU 91 -5.950 13.958 5.051 628 HD21 LEU 91 HD21 LEU 91 -8.397 14.543 3.993 629 HD22 LEU 91 HD22 LEU 91 -8.779 16.068 4.790 630 HD23 LEU 91 HD23 LEU 91 -9.710 14.619 5.171 631 H GLU 92 HN GLU 92 -8.788 12.742 9.314 632 HA GLU 92 HA GLU 92 -8.643 15.386 10.436 633 HB2 GLU 92 HB2 GLU 92 -9.899 12.806 11.434 634 HB3 GLU 92 HB1 GLU 92 -10.084 14.351 12.263 635 HG2 GLU 92 HG2 GLU 92 -11.115 15.336 10.283 636 HG3 GLU 92 HG1 GLU 92 -10.843 13.856 9.368 637 H HIS 93 HN HIS 93 -7.299 12.252 11.369 638 HA HIS 93 HA HIS 93 -5.979 13.461 13.750 639 HD1 HIS 93 HD1 HIS 93 -8.761 10.575 12.914 640 HD2 HIS 93 HD2 HIS 93 -6.941 12.029 16.373 641 HE1 HIS 93 HE1 HIS 93 -10.579 10.723 14.673 642 HB2 HIS 93 HB2 HIS 93 -6.196 10.597 12.764 643 HB3 HIS 93 HB1 HIS 93 -5.295 11.078 14.201 644 H HIS 94 HN HIS 94 -4.125 14.455 13.329 645 HA HIS 94 HA HIS 94 -1.997 13.038 11.829 646 HD1 HIS 94 HD1 HIS 94 -0.073 16.246 11.152 647 HD2 HIS 94 HD2 HIS 94 -1.460 13.344 8.500 648 HE1 HIS 94 HE1 HIS 94 1.825 15.782 9.539 649 HB2 HIS 94 HB2 HIS 94 -3.316 14.524 10.232 650 HB3 HIS 94 HB1 HIS 94 -2.704 15.899 11.152 651 H HIS 95 HN HIS 95 0.035 13.562 12.537 652 HA HIS 95 HA HIS 95 0.222 15.267 14.979 653 HD1 HIS 95 HD1 HIS 95 0.366 11.287 13.982 654 HD2 HIS 95 HD2 HIS 95 0.813 13.456 17.515 655 HE1 HIS 95 HE1 HIS 95 -0.851 9.984 15.781 656 HB2 HIS 95 HB2 HIS 95 2.091 13.188 13.788 657 HB3 HIS 95 HB1 HIS 95 2.448 14.122 15.240 658 H HIS 96 HN HIS 96 -0.031 16.692 12.604 659 HA HIS 96 HA HIS 96 2.416 17.422 11.316 660 HD1 HIS 96 HD1 HIS 96 0.858 21.445 11.540 661 HD2 HIS 96 HD2 HIS 96 2.376 18.815 8.682 662 HE1 HIS 96 HE1 HIS 96 2.197 22.850 9.910 663 HB2 HIS 96 HB2 HIS 96 0.162 18.003 10.449 664 HB3 HIS 96 HB1 HIS 96 -0.069 19.106 11.803 665 H HIS 97 HN HIS 97 0.686 19.814 13.236 666 HA HIS 97 HA HIS 97 1.564 21.557 14.545 667 HD1 HIS 97 HD1 HIS 97 4.947 19.403 15.628 668 HD2 HIS 97 HD2 HIS 97 1.481 17.118 16.008 669 HE1 HIS 97 HE1 HIS 97 5.678 16.978 15.586 670 HB2 HIS 97 HB2 HIS 97 2.730 20.693 16.585 671 HB3 HIS 97 HB1 HIS 97 1.213 19.866 16.235 672 H HIS 98 HN HIS 98 3.923 21.862 15.894 673 HA HIS 98 HA HIS 98 5.707 22.699 13.768 674 HD1 HIS 98 HD1 HIS 98 7.122 25.041 14.009 675 HD2 HIS 98 HD2 HIS 98 8.895 22.601 16.887 676 HE1 HIS 98 HE1 HIS 98 9.607 25.532 13.934 677 HB2 HIS 98 HB2 HIS 98 5.452 23.984 15.866 678 HB3 HIS 98 HB1 HIS 98 6.119 22.631 16.781 Start of MODEL 9 1 HA ALA 12 HA ALA 12 -7.974 10.492 -13.705 2 H1 ALA 12 HN ALA 12 -8.336 13.372 -13.667 3 HB1 ALA 12 HB1 ALA 12 -5.772 10.992 -12.714 4 HB2 ALA 12 HB2 ALA 12 -6.281 12.656 -12.416 5 HB3 ALA 12 HB3 ALA 12 -6.103 12.072 -14.070 6 H PHE 13 HN PHE 13 -10.021 10.285 -12.321 7 HA PHE 13 HA PHE 13 -10.017 10.917 -9.532 8 HD1 PHE 13 HD2 PHE 13 -12.566 11.362 -8.741 9 HD2 PHE 13 HD1 PHE 13 -12.345 10.065 -12.830 10 HE1 PHE 13 HE2 PHE 13 -14.113 13.184 -9.402 11 HE2 PHE 13 HE1 PHE 13 -13.891 11.888 -13.492 12 HZ PHE 13 HZ PHE 13 -14.775 13.447 -11.778 13 HB2 PHE 13 HB2 PHE 13 -11.409 8.722 -11.092 14 HB3 PHE 13 HB1 PHE 13 -11.735 9.069 -9.395 15 H PHE 14 HN PHE 14 -8.714 8.219 -11.370 16 HA PHE 14 HA PHE 14 -8.168 6.445 -9.201 17 HD1 PHE 14 HD1 PHE 14 -8.188 3.920 -10.024 18 HD2 PHE 14 HD2 PHE 14 -8.677 6.650 -13.304 19 HE1 PHE 14 HE1 PHE 14 -10.072 2.555 -10.878 20 HE2 PHE 14 HE2 PHE 14 -10.565 5.285 -14.158 21 HZ PHE 14 HZ PHE 14 -11.262 3.237 -12.944 22 HB2 PHE 14 HB2 PHE 14 -6.788 6.840 -11.870 23 HB3 PHE 14 HB1 PHE 14 -6.369 5.542 -10.752 24 H ASN 15 HN ASN 15 -6.433 9.231 -10.469 25 HA ASN 15 HA ASN 15 -3.949 8.821 -9.115 26 HB2 ASN 15 HB2 ASN 15 -4.210 10.485 -10.904 27 HB3 ASN 15 HB1 ASN 15 -5.330 11.402 -9.898 28 HD21 ASN 15 HD21 ASN 15 -1.921 10.481 -10.263 29 HD22 ASN 15 HD22 ASN 15 -1.316 11.637 -9.177 30 H GLU 16 HN GLU 16 -6.941 10.440 -8.140 31 HA GLU 16 HA GLU 16 -5.967 11.429 -5.622 32 HB2 GLU 16 HB2 GLU 16 -8.763 10.763 -6.587 33 HB3 GLU 16 HB1 GLU 16 -8.427 11.555 -5.048 34 HG2 GLU 16 HG2 GLU 16 -7.337 13.413 -6.205 35 HG3 GLU 16 HG1 GLU 16 -7.563 12.609 -7.757 36 H GLN 17 HN GLN 17 -7.576 8.427 -6.589 37 HA GLN 17 HA GLN 17 -7.935 7.343 -3.962 38 HB2 GLN 17 HB2 GLN 17 -7.497 5.913 -6.603 39 HB3 GLN 17 HB1 GLN 17 -8.117 5.161 -5.134 40 HG2 GLN 17 HG2 GLN 17 -9.424 7.492 -6.571 41 HG3 GLN 17 HG1 GLN 17 -9.941 5.811 -6.705 42 HE21 GLN 17 HE21 GLN 17 -10.834 8.564 -5.187 43 HE22 GLN 17 HE22 GLN 17 -11.445 7.931 -3.736 44 H LYS 18 HN LYS 18 -5.245 7.185 -6.252 45 HA LYS 18 HA LYS 18 -3.632 5.319 -4.799 46 HB2 LYS 18 HB2 LYS 18 -2.965 7.531 -6.757 47 HB3 LYS 18 HB1 LYS 18 -1.732 6.473 -6.072 48 HG2 LYS 18 HG2 LYS 18 -2.732 4.527 -7.040 49 HG3 LYS 18 HG1 LYS 18 -4.189 5.414 -7.482 50 HD2 LYS 18 HD2 LYS 18 -2.646 5.019 -9.419 51 HD3 LYS 18 HD1 LYS 18 -2.955 6.725 -9.117 52 HE2 LYS 18 HE2 LYS 18 -0.826 7.060 -8.147 53 HE3 LYS 18 HE1 LYS 18 -0.573 5.334 -7.905 54 HZ1 LYS 18 HZ1 LYS 18 -0.867 6.526 -10.595 55 HZ2 LYS 18 HZ2 LYS 18 -0.258 4.993 -10.187 56 HZ3 LYS 18 HZ3 LYS 18 0.639 6.390 -9.827 57 H GLU 19 HN GLU 19 -3.871 8.852 -4.701 58 HA GLU 19 HA GLU 19 -1.738 9.291 -2.833 59 HB2 GLU 19 HB2 GLU 19 -2.800 11.063 -4.264 60 HB3 GLU 19 HB1 GLU 19 -4.236 10.962 -3.246 61 HG2 GLU 19 HG2 GLU 19 -2.908 11.592 -1.276 62 HG3 GLU 19 HG1 GLU 19 -1.453 11.661 -2.268 63 H LYS 20 HN LYS 20 -5.232 8.822 -2.410 64 HA LYS 20 HA LYS 20 -5.317 9.243 0.412 65 HB2 LYS 20 HB2 LYS 20 -7.046 7.479 -1.345 66 HB3 LYS 20 HB1 LYS 20 -7.454 7.973 0.298 67 HG2 LYS 20 HG2 LYS 20 -6.802 10.078 -1.757 68 HG3 LYS 20 HG1 LYS 20 -8.403 9.341 -1.755 69 HD2 LYS 20 HD2 LYS 20 -8.663 9.958 0.635 70 HD3 LYS 20 HD1 LYS 20 -7.084 10.740 0.590 71 HE2 LYS 20 HE2 LYS 20 -8.805 12.426 0.268 72 HE3 LYS 20 HE1 LYS 20 -7.917 12.219 -1.242 73 HZ1 LYS 20 HZ1 LYS 20 -10.647 11.946 -0.832 74 HZ2 LYS 20 HZ2 LYS 20 -10.054 10.382 -1.129 75 HZ3 LYS 20 HZ3 LYS 20 -9.778 11.626 -2.254 76 H VAL 21 HN VAL 21 -4.927 6.294 -1.506 77 HA VAL 21 HA VAL 21 -4.792 4.494 0.729 78 HB VAL 21 HB VAL 21 -3.766 4.266 -2.113 79 HG11 VAL 21 HG11 VAL 21 -2.483 2.691 -0.881 80 HG12 VAL 21 HG12 VAL 21 -3.832 1.759 -1.531 81 HG13 VAL 21 HG13 VAL 21 -3.846 2.272 0.157 82 HG21 VAL 21 HG21 VAL 21 -6.262 4.481 -1.676 83 HG22 VAL 21 HG22 VAL 21 -6.157 2.962 -0.787 84 HG23 VAL 21 HG23 VAL 21 -5.776 3.004 -2.510 85 H THR 22 HN THR 22 -2.320 6.202 -1.157 86 HA THR 22 HA THR 22 -0.010 5.011 -0.062 87 HB THR 22 HB THR 22 -0.458 7.896 -0.886 88 HG1 THR 22 HG1 THR 22 -0.551 6.992 -2.761 89 HG21 THR 22 HG21 THR 22 1.552 7.898 0.358 90 HG22 THR 22 HG22 THR 22 2.076 7.729 -1.317 91 HG23 THR 22 HG23 THR 22 2.036 6.319 -0.260 92 H LEU 23 HN LEU 23 -1.843 7.827 1.134 93 HA LEU 23 HA LEU 23 -0.159 8.322 3.390 94 HG LEU 23 HG LEU 23 -2.001 9.151 5.421 95 HB2 LEU 23 HB2 LEU 23 -1.913 9.900 2.479 96 HB3 LEU 23 HB1 LEU 23 -3.138 8.846 3.180 97 HD11 LEU 23 HD11 LEU 23 -0.628 11.396 5.443 98 HD12 LEU 23 HD12 LEU 23 -0.350 11.033 3.740 99 HD13 LEU 23 HD13 LEU 23 0.178 9.899 4.982 100 HD21 LEU 23 HD21 LEU 23 -3.004 11.686 4.089 101 HD22 LEU 23 HD22 LEU 23 -2.992 11.353 5.819 102 HD23 LEU 23 HD23 LEU 23 -4.034 10.415 4.750 103 H TYR 24 HN TYR 24 -3.080 6.375 2.979 104 HA TYR 24 HA TYR 24 -3.445 5.569 5.682 105 HD1 TYR 24 HD2 TYR 24 -5.847 4.521 6.333 106 HD2 TYR 24 HD1 TYR 24 -3.857 1.800 3.669 107 HE1 TYR 24 HE2 TYR 24 -6.607 2.607 7.717 108 HE2 TYR 24 HE1 TYR 24 -4.618 -0.112 5.053 109 HH TYR 24 HH TYR 24 -5.373 -0.587 7.270 110 HB2 TYR 24 HB2 TYR 24 -5.143 5.162 3.962 111 HB3 TYR 24 HB1 TYR 24 -4.040 4.097 3.096 112 H LEU 25 HN LEU 25 -1.575 4.112 3.049 113 HA LEU 25 HA LEU 25 -0.664 1.816 4.474 114 HG LEU 25 HG LEU 25 -1.672 2.221 1.860 115 HB2 LEU 25 HB2 LEU 25 0.555 3.379 2.187 116 HB3 LEU 25 HB1 LEU 25 1.197 1.841 2.757 117 HD11 LEU 25 HD11 LEU 25 -0.905 1.014 -0.222 118 HD12 LEU 25 HD12 LEU 25 0.755 1.284 0.307 119 HD13 LEU 25 HD13 LEU 25 -0.286 2.658 -0.065 120 HD21 LEU 25 HD21 LEU 25 0.024 -0.124 2.712 121 HD22 LEU 25 HD22 LEU 25 -1.253 -0.383 1.523 122 HD23 LEU 25 HD23 LEU 25 -1.652 0.250 3.116 123 H LYS 26 HN LYS 26 0.772 5.040 4.087 124 HA LYS 26 HA LYS 26 3.202 4.483 5.482 125 HB2 LYS 26 HB2 LYS 26 1.655 7.047 5.052 126 HB3 LYS 26 HB1 LYS 26 3.233 7.003 5.837 127 HG2 LYS 26 HG2 LYS 26 4.198 5.937 3.830 128 HG3 LYS 26 HG1 LYS 26 2.621 5.990 3.043 129 HD2 LYS 26 HD2 LYS 26 2.619 8.448 3.182 130 HD3 LYS 26 HD1 LYS 26 4.176 8.411 4.009 131 HE2 LYS 26 HE2 LYS 26 5.216 7.362 2.044 132 HE3 LYS 26 HE1 LYS 26 3.663 7.352 1.212 133 HZ1 LYS 26 HZ1 LYS 26 3.862 9.918 1.935 134 HZ2 LYS 26 HZ2 LYS 26 4.372 9.314 0.431 135 HZ3 LYS 26 HZ3 LYS 26 5.497 9.542 1.683 136 H HIS 27 HN HIS 27 0.095 5.754 6.631 137 HA HIS 27 HA HIS 27 1.000 6.036 9.378 138 HD1 HIS 27 HD1 HIS 27 -0.904 8.379 10.832 139 HD2 HIS 27 HD2 HIS 27 -0.200 8.403 6.724 140 HE1 HIS 27 HE1 HIS 27 -0.215 10.743 10.240 141 HB2 HIS 27 HB2 HIS 27 -1.666 6.182 7.982 142 HB3 HIS 27 HB1 HIS 27 -1.582 6.211 9.742 143 H ASN 28 HN ASN 28 -0.627 3.495 7.556 144 HA ASN 28 HA ASN 28 -1.145 1.923 10.007 145 HB2 ASN 28 HB2 ASN 28 -1.682 1.500 7.062 146 HB3 ASN 28 HB1 ASN 28 -1.940 0.216 8.243 147 HD21 ASN 28 HD21 ASN 28 -3.057 3.460 7.259 148 HD22 ASN 28 HD22 ASN 28 -4.500 3.405 8.150 149 H ILE 29 HN ILE 29 1.445 2.458 7.943 150 HA ILE 29 HA ILE 29 2.731 -0.067 8.850 151 HB ILE 29 HB ILE 29 3.123 1.025 6.067 152 HG12 ILE 29 HG12 ILE 29 1.389 -1.289 7.005 153 HG13 ILE 29 HG11 ILE 29 0.774 0.256 6.416 154 HG21 ILE 29 HG21 ILE 29 3.766 -1.655 7.355 155 HG22 ILE 29 HG22 ILE 29 4.938 -0.364 7.089 156 HG23 ILE 29 HG23 ILE 29 4.179 -1.162 5.712 157 HD11 ILE 29 HD11 ILE 29 2.444 -1.728 4.851 158 HD12 ILE 29 HD12 ILE 29 1.964 -0.136 4.263 159 HD13 ILE 29 HD13 ILE 29 0.738 -1.359 4.596 160 HA PRO 30 HA PRO 30 5.470 3.442 9.938 161 HB2 PRO 30 HB2 PRO 30 6.973 2.060 11.794 162 HB3 PRO 30 HB1 PRO 30 5.392 2.779 12.156 163 HG2 PRO 30 HG2 PRO 30 6.096 -0.055 11.590 164 HG3 PRO 30 HG1 PRO 30 4.894 0.608 12.712 165 HD2 PRO 30 HD2 PRO 30 4.285 -0.458 10.255 166 HD3 PRO 30 HD1 PRO 30 3.264 0.737 11.081 167 H ASP 31 HN ASP 31 6.216 0.347 8.634 168 HA ASP 31 HA ASP 31 9.062 1.045 8.149 169 HB2 ASP 31 HB2 ASP 31 8.368 -1.262 8.928 170 HB3 ASP 31 HB1 ASP 31 7.567 -1.476 7.371 171 H PHE 32 HN PHE 32 6.357 2.027 6.783 172 HA PHE 32 HA PHE 32 6.399 1.264 4.060 173 HD1 PHE 32 HD2 PHE 32 6.709 4.944 3.060 174 HD2 PHE 32 HD1 PHE 32 3.495 2.097 3.052 175 HE1 PHE 32 HE2 PHE 32 6.174 5.555 0.718 176 HE2 PHE 32 HE1 PHE 32 2.957 2.708 0.710 177 HZ PHE 32 HZ PHE 32 4.298 4.437 -0.457 178 HB2 PHE 32 HB2 PHE 32 4.605 2.632 5.089 179 HB3 PHE 32 HB1 PHE 32 5.720 3.994 5.190 180 H ASN 33 HN ASN 33 7.723 1.738 2.402 181 HA ASN 33 HA ASN 33 9.733 3.937 2.700 182 HB2 ASN 33 HB2 ASN 33 10.706 1.635 3.167 183 HB3 ASN 33 HB1 ASN 33 10.314 1.220 1.498 184 HD21 ASN 33 HD21 ASN 33 12.583 1.067 0.874 185 HD22 ASN 33 HD22 ASN 33 13.557 2.450 0.741 186 H THR 34 HN THR 34 8.260 1.594 0.437 187 HA THR 34 HA THR 34 7.884 3.796 -1.513 188 HB THR 34 HB THR 34 10.031 2.996 -2.207 189 HG1 THR 34 HG1 THR 34 9.492 2.538 -4.225 190 HG21 THR 34 HG21 THR 34 10.297 0.935 -1.082 191 HG22 THR 34 HG22 THR 34 10.234 0.488 -2.786 192 HG23 THR 34 HG23 THR 34 8.813 0.271 -1.764 193 H VAL 35 HN VAL 35 6.350 3.279 -3.156 194 HA VAL 35 HA VAL 35 4.786 0.772 -2.747 195 HB VAL 35 HB VAL 35 3.561 2.459 -1.532 196 HG11 VAL 35 HG11 VAL 35 3.504 4.157 -4.035 197 HG12 VAL 35 HG12 VAL 35 4.705 4.394 -2.764 198 HG13 VAL 35 HG13 VAL 35 2.992 4.603 -2.409 199 HG21 VAL 35 HG21 VAL 35 1.464 2.320 -2.647 200 HG22 VAL 35 HG22 VAL 35 2.357 0.892 -3.172 201 HG23 VAL 35 HG23 VAL 35 2.225 2.292 -4.238 202 H THR 36 HN THR 36 4.106 -0.160 -4.606 203 HA THR 36 HA THR 36 4.405 1.383 -7.160 204 HB THR 36 HB THR 36 5.186 -1.506 -6.664 205 HG1 THR 36 HG1 THR 36 6.829 0.642 -7.467 206 HG21 THR 36 HG21 THR 36 6.065 -1.303 -9.018 207 HG22 THR 36 HG22 THR 36 5.217 0.240 -9.138 208 HG23 THR 36 HG23 THR 36 4.306 -1.252 -8.900 209 H PHE 37 HN PHE 37 2.531 1.473 -8.184 210 HA PHE 37 HA PHE 37 0.375 -0.470 -7.527 211 HD1 PHE 37 HD2 PHE 37 -1.440 0.746 -6.093 212 HD2 PHE 37 HD1 PHE 37 1.212 3.734 -7.660 213 HE1 PHE 37 HE2 PHE 37 -1.466 1.914 -3.905 214 HE2 PHE 37 HE1 PHE 37 1.191 4.901 -5.473 215 HZ PHE 37 HZ PHE 37 -0.151 3.994 -3.595 216 HB2 PHE 37 HB2 PHE 37 0.277 2.114 -9.115 217 HB3 PHE 37 HB1 PHE 37 -1.112 1.152 -8.606 218 H THR 38 HN THR 38 0.020 -2.116 -8.882 219 HA THR 38 HA THR 38 1.085 -1.961 -11.678 220 HB THR 38 HB THR 38 0.970 -4.433 -11.613 221 HG1 THR 38 HG1 THR 38 -0.434 -5.137 -10.218 222 HG21 THR 38 HG21 THR 38 2.346 -3.500 -9.095 223 HG22 THR 38 HG22 THR 38 2.943 -3.035 -10.689 224 HG23 THR 38 HG23 THR 38 2.867 -4.739 -10.237 225 H ASN 39 HN ASN 39 -1.827 -2.230 -9.774 226 HA ASN 39 HA ASN 39 -3.401 -2.805 -12.275 227 HB2 ASN 39 HB2 ASN 39 -4.065 -3.218 -9.354 228 HB3 ASN 39 HB1 ASN 39 -5.260 -3.349 -10.645 229 HD21 ASN 39 HD21 ASN 39 -4.617 -5.633 -9.075 230 HD22 ASN 39 HD22 ASN 39 -3.789 -6.750 -10.048 231 H GLU 40 HN GLU 40 -5.088 -1.467 -12.846 232 HA GLU 40 HA GLU 40 -6.018 0.724 -11.199 233 HB2 GLU 40 HB2 GLU 40 -3.831 1.650 -11.914 234 HB3 GLU 40 HB1 GLU 40 -4.299 1.424 -13.599 235 HG2 GLU 40 HG2 GLU 40 -6.193 2.949 -13.310 236 HG3 GLU 40 HG1 GLU 40 -5.816 3.128 -11.597 237 H GLU 41 HN GLU 41 -7.932 -0.502 -11.844 238 HA GLU 41 HA GLU 41 -9.111 0.572 -14.323 239 HB2 GLU 41 HB2 GLU 41 -9.788 -1.626 -15.179 240 HB3 GLU 41 HB1 GLU 41 -8.030 -1.519 -15.091 241 HG2 GLU 41 HG2 GLU 41 -8.122 -2.680 -12.871 242 HG3 GLU 41 HG1 GLU 41 -9.860 -2.888 -13.093 243 H PHE 42 HN PHE 42 -11.361 -1.117 -14.369 244 HA PHE 42 HA PHE 42 -12.689 -0.302 -11.825 245 HD1 PHE 42 HD1 PHE 42 -15.363 -2.723 -13.851 246 HD2 PHE 42 HD2 PHE 42 -12.663 -0.193 -16.039 247 HE1 PHE 42 HE1 PHE 42 -15.601 -4.187 -15.841 248 HE2 PHE 42 HE2 PHE 42 -12.900 -1.660 -18.024 249 HZ PHE 42 HZ PHE 42 -14.368 -3.656 -17.927 250 HB2 PHE 42 HB2 PHE 42 -14.785 -0.465 -13.049 251 HB3 PHE 42 HB1 PHE 42 -13.656 0.553 -13.940 252 H ASN 43 HN ASN 43 -13.274 -1.798 -10.404 253 HA ASN 43 HA ASN 43 -13.040 -4.646 -11.170 254 HB2 ASN 43 HB2 ASN 43 -12.620 -3.082 -8.725 255 HB3 ASN 43 HB1 ASN 43 -13.585 -4.524 -8.413 256 HD21 ASN 43 HD21 ASN 43 -10.670 -3.681 -10.376 257 HD22 ASN 43 HD22 ASN 43 -9.798 -5.069 -9.937 258 HA PRO 44 HA PRO 44 -17.324 -5.693 -11.177 259 HB2 PRO 44 HB2 PRO 44 -16.859 -7.386 -8.741 260 HB3 PRO 44 HB1 PRO 44 -17.606 -7.827 -10.290 261 HG2 PRO 44 HG2 PRO 44 -15.129 -8.597 -9.677 262 HG3 PRO 44 HG1 PRO 44 -15.573 -8.139 -11.331 263 HD2 PRO 44 HD2 PRO 44 -13.958 -6.621 -9.326 264 HD3 PRO 44 HD1 PRO 44 -13.854 -6.638 -11.101 265 H ILE 45 HN ILE 45 -16.011 -5.108 -7.925 266 HA ILE 45 HA ILE 45 -18.597 -4.221 -6.874 267 HB ILE 45 HB ILE 45 -15.792 -4.191 -5.725 268 HG12 ILE 45 HG12 ILE 45 -18.205 -5.860 -4.961 269 HG13 ILE 45 HG11 ILE 45 -16.976 -6.406 -6.101 270 HG21 ILE 45 HG21 ILE 45 -16.842 -2.438 -4.566 271 HG22 ILE 45 HG22 ILE 45 -17.178 -3.829 -3.538 272 HG23 ILE 45 HG23 ILE 45 -18.425 -3.213 -4.624 273 HD11 ILE 45 HD11 ILE 45 -16.282 -5.452 -3.317 274 HD12 ILE 45 HD12 ILE 45 -15.268 -6.365 -4.435 275 HD13 ILE 45 HD13 ILE 45 -16.656 -7.138 -3.669 276 H GLY 46 HN GLY 46 -16.317 -2.839 -8.861 277 HA2 GLY 46 HA2 GLY 46 -17.201 -0.452 -9.469 278 HA3 GLY 46 HA1 GLY 46 -16.753 -0.077 -7.808 279 H ILE 47 HN ILE 47 -14.663 0.438 -7.382 280 HA ILE 47 HA ILE 47 -12.619 -0.027 -9.523 281 HB ILE 47 HB ILE 47 -11.628 2.189 -8.788 282 HG12 ILE 47 HG12 ILE 47 -14.394 2.590 -7.595 283 HG13 ILE 47 HG11 ILE 47 -12.936 2.309 -6.640 284 HG21 ILE 47 HG21 ILE 47 -13.206 3.501 -10.160 285 HG22 ILE 47 HG22 ILE 47 -14.396 2.206 -10.026 286 HG23 ILE 47 HG23 ILE 47 -12.883 1.926 -10.886 287 HD11 ILE 47 HD11 ILE 47 -11.898 4.308 -7.750 288 HD12 ILE 47 HD12 ILE 47 -13.303 4.702 -6.761 289 HD13 ILE 47 HD13 ILE 47 -13.454 4.632 -8.516 290 H SER 48 HN SER 48 -10.756 -0.879 -8.835 291 HA SER 48 HA SER 48 -10.090 -0.785 -5.927 292 HG SER 48 HG SER 48 -11.449 -3.363 -5.290 293 HB2 SER 48 HB2 SER 48 -10.143 -3.289 -7.629 294 HB3 SER 48 HB1 SER 48 -9.490 -3.188 -5.996 295 H ILE 49 HN ILE 49 -7.889 -0.933 -5.501 296 HA ILE 49 HA ILE 49 -6.054 -0.841 -7.869 297 HB ILE 49 HB ILE 49 -5.981 0.861 -5.364 298 HG12 ILE 49 HG12 ILE 49 -6.195 1.639 -8.288 299 HG13 ILE 49 HG11 ILE 49 -7.588 1.480 -7.219 300 HG21 ILE 49 HG21 ILE 49 -3.993 1.899 -6.572 301 HG22 ILE 49 HG22 ILE 49 -4.015 0.493 -7.636 302 HG23 ILE 49 HG23 ILE 49 -3.719 0.289 -5.910 303 HD11 ILE 49 HD11 ILE 49 -5.235 3.288 -6.621 304 HD12 ILE 49 HD12 ILE 49 -6.786 3.241 -5.786 305 HD13 ILE 49 HD13 ILE 49 -6.695 3.838 -7.443 306 H ASP 50 HN ASP 50 -4.334 -2.159 -7.728 307 HA ASP 50 HA ASP 50 -3.724 -3.458 -5.095 308 HB2 ASP 50 HB2 ASP 50 -5.004 -4.866 -6.834 309 HB3 ASP 50 HB1 ASP 50 -3.508 -4.846 -7.765 310 H GLY 51 HN GLY 51 -1.558 -3.902 -4.699 311 HA2 GLY 51 HA2 GLY 51 0.549 -3.635 -6.626 312 HA3 GLY 51 HA1 GLY 51 0.376 -2.127 -5.730 313 H TYR 52 HN TYR 52 2.606 -2.732 -5.043 314 HA TYR 52 HA TYR 52 2.493 -4.233 -2.491 315 HD1 TYR 52 HD1 TYR 52 6.324 -3.754 -4.051 316 HD2 TYR 52 HD2 TYR 52 3.200 -5.546 -6.396 317 HE1 TYR 52 HE1 TYR 52 7.523 -3.133 -6.134 318 HE2 TYR 52 HE2 TYR 52 4.404 -4.923 -8.473 319 HH TYR 52 HH TYR 52 6.060 -3.366 -9.241 320 HB2 TYR 52 HB2 TYR 52 4.665 -5.367 -3.065 321 HB3 TYR 52 HB1 TYR 52 3.298 -5.921 -4.029 322 H ILE 53 HN ILE 53 4.459 -3.836 -1.168 323 HA ILE 53 HA ILE 53 5.651 -1.147 -1.770 324 HB ILE 53 HB ILE 53 5.574 -0.662 0.636 325 HG12 ILE 53 HG12 ILE 53 3.992 -3.246 0.861 326 HG13 ILE 53 HG11 ILE 53 5.659 -3.059 1.397 327 HG21 ILE 53 HG21 ILE 53 3.214 -0.230 0.778 328 HG22 ILE 53 HG22 ILE 53 2.847 -1.545 -0.338 329 HG23 ILE 53 HG23 ILE 53 3.662 -0.095 -0.920 330 HD11 ILE 53 HD11 ILE 53 4.433 -2.676 3.361 331 HD12 ILE 53 HD12 ILE 53 3.174 -1.779 2.514 332 HD13 ILE 53 HD13 ILE 53 4.755 -1.044 2.780 333 H ASN 54 HN ASN 54 7.639 -0.699 -0.601 334 HA ASN 54 HA ASN 54 9.867 -1.170 -0.156 335 HB2 ASN 54 HB2 ASN 54 8.551 -3.595 1.087 336 HB3 ASN 54 HB1 ASN 54 10.283 -3.291 1.193 337 HD21 ASN 54 HD21 ASN 54 7.321 -2.649 2.735 338 HD22 ASN 54 HD22 ASN 54 7.828 -1.347 3.698 339 H ASN 55 HN ASN 55 8.746 -1.930 -2.721 340 HA ASN 55 HA ASN 55 9.275 -3.190 -4.627 341 HB2 ASN 55 HB2 ASN 55 11.933 -3.107 -3.181 342 HB3 ASN 55 HB1 ASN 55 11.743 -3.763 -4.805 343 HD21 ASN 55 HD21 ASN 55 9.473 -1.469 -4.970 344 HD22 ASN 55 HD22 ASN 55 10.400 -0.127 -5.434 345 H ASP 56 HN ASP 56 8.244 -4.668 -2.281 346 HA ASP 56 HA ASP 56 9.521 -7.340 -2.772 347 HB2 ASP 56 HB2 ASP 56 8.047 -6.236 -0.380 348 HB3 ASP 56 HB1 ASP 56 8.409 -7.951 -0.576 349 H LYS 57 HN LYS 57 8.373 -8.423 -4.213 350 HA LYS 57 HA LYS 57 5.674 -7.975 -4.968 351 HB2 LYS 57 HB2 LYS 57 7.404 -10.458 -5.164 352 HB3 LYS 57 HB1 LYS 57 5.846 -10.276 -5.969 353 HG2 LYS 57 HG2 LYS 57 6.679 -8.335 -7.209 354 HG3 LYS 57 HG1 LYS 57 8.217 -8.426 -6.355 355 HD2 LYS 57 HD2 LYS 57 8.647 -9.515 -8.415 356 HD3 LYS 57 HD1 LYS 57 8.382 -10.836 -7.277 357 HE2 LYS 57 HE2 LYS 57 6.152 -11.199 -8.074 358 HE3 LYS 57 HE1 LYS 57 6.156 -9.690 -8.986 359 HZ1 LYS 57 HZ1 LYS 57 7.056 -12.248 -9.775 360 HZ2 LYS 57 HZ2 LYS 57 8.342 -11.140 -9.857 361 HZ3 LYS 57 HZ3 LYS 57 6.900 -10.839 -10.703 362 H ASN 58 HN ASN 58 7.092 -9.981 -2.457 363 HA ASN 58 HA ASN 58 4.808 -11.581 -1.823 364 HB2 ASN 58 HB2 ASN 58 7.107 -10.582 -0.118 365 HB3 ASN 58 HB1 ASN 58 5.910 -11.740 0.457 366 HD21 ASN 58 HD21 ASN 58 5.793 -12.896 -2.415 367 HD22 ASN 58 HD22 ASN 58 7.178 -13.870 -2.509 368 H LEU 59 HN LEU 59 5.837 -8.379 -0.725 369 HA LEU 59 HA LEU 59 3.579 -8.130 1.127 370 HG LEU 59 HG LEU 59 6.689 -7.926 1.219 371 HB2 LEU 59 HB2 LEU 59 5.532 -6.018 0.160 372 HB3 LEU 59 HB1 LEU 59 4.464 -5.889 1.557 373 HD11 LEU 59 HD11 LEU 59 6.534 -5.700 3.254 374 HD12 LEU 59 HD12 LEU 59 7.292 -5.462 1.681 375 HD13 LEU 59 HD13 LEU 59 7.935 -6.667 2.796 376 HD21 LEU 59 HD21 LEU 59 5.129 -9.013 2.587 377 HD22 LEU 59 HD22 LEU 59 4.547 -7.509 3.299 378 HD23 LEU 59 HD23 LEU 59 6.110 -8.169 3.783 379 H SER 60 HN SER 60 1.917 -8.537 -0.508 380 HA SER 60 HA SER 60 1.410 -6.248 -2.351 381 HG SER 60 HG SER 60 -0.355 -7.320 -4.305 382 HB2 SER 60 HB2 SER 60 1.339 -8.317 -3.532 383 HB3 SER 60 HB1 SER 60 0.366 -9.078 -2.276 384 H PHE 61 HN PHE 61 -0.701 -5.335 -2.426 385 HA PHE 61 HA PHE 61 -2.569 -5.928 -0.218 386 HD1 PHE 61 HD2 PHE 61 0.786 -3.593 -0.914 387 HD2 PHE 61 HD1 PHE 61 -3.140 -1.843 -0.959 388 HE1 PHE 61 HE2 PHE 61 1.623 -1.743 -2.339 389 HE2 PHE 61 HE1 PHE 61 -2.298 0.006 -2.384 390 HZ PHE 61 HZ PHE 61 0.083 0.056 -3.073 391 HB2 PHE 61 HB2 PHE 61 -2.602 -3.625 0.588 392 HB3 PHE 61 HB1 PHE 61 -0.965 -4.267 0.719 393 H THR 62 HN THR 62 -4.629 -4.860 -0.516 394 HA THR 62 HA THR 62 -5.094 -3.729 -3.243 395 HB THR 62 HB THR 62 -6.798 -5.844 -1.899 396 HG1 THR 62 HG1 THR 62 -5.007 -6.796 -2.764 397 HG21 THR 62 HG21 THR 62 -8.208 -4.386 -3.167 398 HG22 THR 62 HG22 THR 62 -7.920 -5.797 -4.186 399 HG23 THR 62 HG23 THR 62 -7.040 -4.297 -4.486 400 H ALA 63 HN ALA 63 -6.521 -2.049 -3.272 401 HA ALA 63 HA ALA 63 -7.987 -1.405 -0.735 402 HB1 ALA 63 HB1 ALA 63 -5.958 0.004 -0.959 403 HB2 ALA 63 HB2 ALA 63 -7.440 0.956 -1.071 404 HB3 ALA 63 HB3 ALA 63 -6.535 0.555 -2.531 405 H GLY 64 HN GLY 64 -10.053 -0.826 -1.016 406 HA2 GLY 64 HA2 GLY 64 -11.085 -0.516 -3.813 407 HA3 GLY 64 HA1 GLY 64 -12.010 -1.210 -2.483 408 H LYS 65 HN LYS 65 -12.257 1.239 -4.314 409 HA LYS 65 HA LYS 65 -12.849 3.509 -4.147 410 HB2 LYS 65 HB2 LYS 65 -14.346 2.308 -1.802 411 HB3 LYS 65 HB1 LYS 65 -14.736 3.838 -2.586 412 HG2 LYS 65 HG2 LYS 65 -14.564 1.311 -4.221 413 HG3 LYS 65 HG1 LYS 65 -16.030 1.675 -3.314 414 HD2 LYS 65 HD2 LYS 65 -16.154 3.889 -4.455 415 HD3 LYS 65 HD1 LYS 65 -14.740 3.452 -5.410 416 HE2 LYS 65 HE2 LYS 65 -16.689 2.976 -6.740 417 HE3 LYS 65 HE1 LYS 65 -15.999 1.439 -6.223 418 HZ1 LYS 65 HZ1 LYS 65 -18.577 2.257 -5.858 419 HZ2 LYS 65 HZ2 LYS 65 -17.867 2.473 -4.329 420 HZ3 LYS 65 HZ3 LYS 65 -17.824 0.950 -5.082 421 H ASP 66 HN ASP 66 -13.564 5.046 -1.911 422 HA ASP 66 HA ASP 66 -11.044 6.082 -1.131 423 HB2 ASP 66 HB2 ASP 66 -13.807 6.408 0.056 424 HB3 ASP 66 HB1 ASP 66 -12.407 7.304 0.645 425 H VAL 67 HN VAL 67 -9.986 4.075 -0.507 426 HA VAL 67 HA VAL 67 -9.306 2.422 1.004 427 HB VAL 67 HB VAL 67 -9.740 4.485 3.159 428 HG11 VAL 67 HG11 VAL 67 -7.649 3.634 3.982 429 HG12 VAL 67 HG12 VAL 67 -7.321 2.801 2.464 430 HG13 VAL 67 HG13 VAL 67 -8.610 2.228 3.521 431 HG21 VAL 67 HG21 VAL 67 -7.905 4.665 0.758 432 HG22 VAL 67 HG22 VAL 67 -7.517 5.479 2.274 433 HG23 VAL 67 HG23 VAL 67 -8.989 5.900 1.398 434 H LYS 68 HN LYS 68 -12.252 2.681 0.566 435 HA LYS 68 HA LYS 68 -13.623 2.226 3.028 436 HB2 LYS 68 HB2 LYS 68 -14.767 2.771 0.881 437 HB3 LYS 68 HB1 LYS 68 -14.296 1.193 0.256 438 HG2 LYS 68 HG2 LYS 68 -16.585 1.049 1.046 439 HG3 LYS 68 HG1 LYS 68 -15.565 0.126 2.147 440 HD2 LYS 68 HD2 LYS 68 -15.659 1.797 3.824 441 HD3 LYS 68 HD1 LYS 68 -16.228 3.025 2.692 442 HE2 LYS 68 HE2 LYS 68 -18.082 2.303 4.070 443 HE3 LYS 68 HE1 LYS 68 -18.340 1.705 2.432 444 HZ1 LYS 68 HZ1 LYS 68 -17.540 -0.436 3.067 445 HZ2 LYS 68 HZ2 LYS 68 -18.723 0.028 4.194 446 HZ3 LYS 68 HZ3 LYS 68 -17.076 0.120 4.601 447 H ILE 69 HN ILE 69 -12.158 0.041 0.649 448 HA ILE 69 HA ILE 69 -12.290 -2.158 2.703 449 HB ILE 69 HB ILE 69 -12.434 -2.369 -0.320 450 HG12 ILE 69 HG12 ILE 69 -14.453 -3.200 1.784 451 HG13 ILE 69 HG11 ILE 69 -14.512 -1.643 0.961 452 HG21 ILE 69 HG21 ILE 69 -11.204 -4.262 0.398 453 HG22 ILE 69 HG22 ILE 69 -12.868 -4.841 0.336 454 HG23 ILE 69 HG23 ILE 69 -12.139 -4.416 1.885 455 HD11 ILE 69 HD11 ILE 69 -14.611 -2.830 -1.224 456 HD12 ILE 69 HD12 ILE 69 -15.975 -3.235 -0.185 457 HD13 ILE 69 HD13 ILE 69 -14.636 -4.368 -0.363 458 H PHE 70 HN PHE 70 -10.352 -2.904 3.316 459 HA PHE 70 HA PHE 70 -8.000 -2.497 1.508 460 HD1 PHE 70 HD1 PHE 70 -5.974 -0.922 1.590 461 HD2 PHE 70 HD2 PHE 70 -6.139 -3.025 5.333 462 HE1 PHE 70 HE1 PHE 70 -3.514 -1.229 1.527 463 HE2 PHE 70 HE2 PHE 70 -3.679 -3.332 5.269 464 HZ PHE 70 HZ PHE 70 -2.368 -2.434 3.366 465 HB2 PHE 70 HB2 PHE 70 -7.959 -0.749 3.236 466 HB3 PHE 70 HB1 PHE 70 -8.084 -1.980 4.494 467 H SER 71 HN SER 71 -6.844 -4.288 1.243 468 HA SER 71 HA SER 71 -7.045 -6.494 3.262 469 HG SER 71 HG SER 71 -9.101 -6.250 1.591 470 HB2 SER 71 HB2 SER 71 -7.200 -6.709 0.244 471 HB3 SER 71 HB1 SER 71 -6.960 -8.086 1.315 472 H SER 72 HN SER 72 -5.163 -7.809 3.399 473 HA SER 72 HA SER 72 -2.764 -6.904 1.888 474 HG SER 72 HG SER 72 -4.150 -6.957 5.021 475 HB2 SER 72 HB2 SER 72 -1.487 -6.907 4.079 476 HB3 SER 72 HB1 SER 72 -2.607 -5.564 3.860 477 H SER 73 HN SER 73 -1.034 -8.407 1.923 478 HA SER 73 HA SER 73 -1.897 -11.178 1.942 479 HG SER 73 HG SER 73 0.594 -8.763 1.443 480 HB2 SER 73 HB2 SER 73 0.546 -11.596 1.410 481 HB3 SER 73 HB1 SER 73 -0.292 -10.523 0.292 482 H GLU 74 HN GLU 74 -0.538 -12.863 3.068 483 HA GLU 74 HA GLU 74 -0.723 -12.594 5.887 484 HB2 GLU 74 HB2 GLU 74 -0.679 -14.767 4.660 485 HB3 GLU 74 HB1 GLU 74 1.032 -14.509 4.320 486 HG2 GLU 74 HG2 GLU 74 1.525 -14.461 6.724 487 HG3 GLU 74 HG1 GLU 74 -0.187 -14.659 7.093 488 H GLU 75 HN GLU 75 2.087 -12.318 3.728 489 HA GLU 75 HA GLU 75 4.026 -11.911 5.798 490 HB2 GLU 75 HB2 GLU 75 4.011 -11.046 2.891 491 HB3 GLU 75 HB1 GLU 75 5.424 -10.953 3.943 492 HG2 GLU 75 HG2 GLU 75 3.901 -13.505 3.336 493 HG3 GLU 75 HG1 GLU 75 5.392 -13.020 2.531 494 H LEU 76 HN LEU 76 1.943 -9.734 3.989 495 HA LEU 76 HA LEU 76 3.110 -7.336 5.226 496 HG LEU 76 HG LEU 76 0.681 -5.569 4.810 497 HB2 LEU 76 HB2 LEU 76 2.259 -7.306 2.886 498 HB3 LEU 76 HB1 LEU 76 0.644 -7.676 3.485 499 HD11 LEU 76 HD11 LEU 76 2.547 -3.915 3.923 500 HD12 LEU 76 HD12 LEU 76 3.434 -5.406 3.602 501 HD13 LEU 76 HD13 LEU 76 2.909 -5.025 5.240 502 HD21 LEU 76 HD21 LEU 76 1.257 -5.252 1.844 503 HD22 LEU 76 HD22 LEU 76 0.481 -4.040 2.861 504 HD23 LEU 76 HD23 LEU 76 -0.320 -5.581 2.562 505 H ASP 77 HN ASP 77 0.589 -9.603 5.828 506 HA ASP 77 HA ASP 77 -1.173 -7.974 7.395 507 HB2 ASP 77 HB2 ASP 77 -1.840 -10.175 6.505 508 HB3 ASP 77 HB1 ASP 77 -0.652 -10.953 7.549 509 H LYS 78 HN LYS 78 1.551 -10.086 8.265 510 HA LYS 78 HA LYS 78 1.340 -9.597 11.109 511 HB2 LYS 78 HB2 LYS 78 3.487 -10.748 11.254 512 HB3 LYS 78 HB1 LYS 78 2.462 -11.597 10.099 513 HG2 LYS 78 HG2 LYS 78 3.593 -10.404 8.237 514 HG3 LYS 78 HG1 LYS 78 4.657 -9.612 9.400 515 HD2 LYS 78 HD2 LYS 78 5.480 -11.818 10.147 516 HD3 LYS 78 HD1 LYS 78 4.431 -12.604 8.968 517 HE2 LYS 78 HE2 LYS 78 6.502 -12.497 7.850 518 HE3 LYS 78 HE1 LYS 78 5.643 -11.092 7.222 519 HZ1 LYS 78 HZ1 LYS 78 6.784 -10.056 9.388 520 HZ2 LYS 78 HZ2 LYS 78 7.498 -10.030 7.846 521 HZ3 LYS 78 HZ3 LYS 78 7.945 -11.219 8.973 522 H MET 79 HN MET 79 2.652 -7.819 8.486 523 HA MET 79 HA MET 79 4.654 -6.334 9.983 524 HB2 MET 79 HB2 MET 79 3.278 -5.925 7.330 525 HB3 MET 79 HB1 MET 79 4.425 -4.748 7.967 526 HG2 MET 79 HG2 MET 79 6.168 -6.462 8.066 527 HG3 MET 79 HG1 MET 79 5.023 -7.688 7.520 528 HE1 MET 79 HE1 MET 79 6.642 -4.431 7.009 529 HE2 MET 79 HE2 MET 79 5.326 -3.843 5.996 530 HE3 MET 79 HE3 MET 79 6.889 -4.211 5.271 531 H PHE 80 HN PHE 80 1.568 -5.273 8.532 532 HA PHE 80 HA PHE 80 1.490 -2.868 10.137 533 HD1 PHE 80 HD1 PHE 80 -0.645 -6.006 8.474 534 HD2 PHE 80 HD2 PHE 80 -2.510 -2.309 9.599 535 HE1 PHE 80 HE1 PHE 80 -2.783 -7.207 8.880 536 HE2 PHE 80 HE2 PHE 80 -4.643 -3.503 9.999 537 HZ PHE 80 HZ PHE 80 -4.780 -5.953 9.639 538 HB2 PHE 80 HB2 PHE 80 -0.299 -2.288 8.805 539 HB3 PHE 80 HB1 PHE 80 0.276 -3.637 7.826 540 H GLN 81 HN GLN 81 0.427 -2.454 12.029 541 HA GLN 81 HA GLN 81 -1.304 -4.584 13.195 542 HB2 GLN 81 HB2 GLN 81 1.147 -4.621 14.061 543 HB3 GLN 81 HB1 GLN 81 0.727 -3.116 14.881 544 HG2 GLN 81 HG2 GLN 81 -1.136 -4.230 16.025 545 HG3 GLN 81 HG1 GLN 81 -0.787 -5.728 15.168 546 HE21 GLN 81 HE21 GLN 81 -0.731 -5.542 18.039 547 HE22 GLN 81 HE22 GLN 81 0.869 -5.797 18.543 548 H GLU 82 HN GLU 82 -2.086 -2.166 11.914 549 HA GLU 82 HA GLU 82 -2.997 -0.515 14.245 550 HB2 GLU 82 HB2 GLU 82 -2.350 0.209 11.392 551 HB3 GLU 82 HB1 GLU 82 -3.432 1.224 12.347 552 HG2 GLU 82 HG2 GLU 82 -1.058 1.973 12.481 553 HG3 GLU 82 HG1 GLU 82 -1.717 1.519 14.053 554 HA PRO 83 HA PRO 83 -7.137 -1.781 13.321 555 HB2 PRO 83 HB2 PRO 83 -8.535 0.482 14.085 556 HB3 PRO 83 HB1 PRO 83 -7.860 -0.702 15.222 557 HG2 PRO 83 HG2 PRO 83 -6.773 1.947 14.385 558 HG3 PRO 83 HG1 PRO 83 -6.772 1.181 15.983 559 HD2 PRO 83 HD2 PRO 83 -4.567 1.220 14.381 560 HD3 PRO 83 HD1 PRO 83 -4.901 -0.104 15.517 561 H ARG 84 HN ARG 84 -8.895 -1.439 11.857 562 HA ARG 84 HA ARG 84 -8.131 -0.222 9.359 563 HE ARG 84 HE ARG 84 -12.238 -3.424 9.878 564 HB2 ARG 84 HB2 ARG 84 -10.770 -1.355 10.332 565 HB3 ARG 84 HB1 ARG 84 -10.484 -0.817 8.676 566 HG2 ARG 84 HG2 ARG 84 -8.613 -2.428 8.482 567 HG3 ARG 84 HG1 ARG 84 -8.922 -2.979 10.127 568 HD2 ARG 84 HD2 ARG 84 -10.975 -3.087 7.898 569 HD3 ARG 84 HD1 ARG 84 -9.949 -4.445 8.353 570 HH11 ARG 84 HH21 ARG 84 -9.313 -5.279 9.858 571 HH12 ARG 84 HH22 ARG 84 -9.766 -6.233 11.231 572 HH21 ARG 84 HH11 ARG 84 -12.827 -4.666 11.652 573 HH22 ARG 84 HH12 ARG 84 -11.751 -5.886 12.244 574 H LYS 85 HN LYS 85 -8.546 1.755 8.592 575 HA LYS 85 HA LYS 85 -10.708 3.419 9.668 576 HB2 LYS 85 HB2 LYS 85 -9.128 5.308 10.190 577 HB3 LYS 85 HB1 LYS 85 -9.020 3.945 11.303 578 HG2 LYS 85 HG2 LYS 85 -7.086 3.071 9.990 579 HG3 LYS 85 HG1 LYS 85 -7.167 4.507 8.968 580 HD2 LYS 85 HD2 LYS 85 -6.771 5.945 10.914 581 HD3 LYS 85 HD1 LYS 85 -6.749 4.535 11.971 582 HE2 LYS 85 HE2 LYS 85 -4.460 5.009 11.548 583 HE3 LYS 85 HE1 LYS 85 -4.843 3.657 10.483 584 HZ1 LYS 85 HZ1 LYS 85 -4.352 4.894 8.734 585 HZ2 LYS 85 HZ2 LYS 85 -3.858 6.147 9.769 586 HZ3 LYS 85 HZ3 LYS 85 -5.459 6.092 9.201 587 H GLY 86 HN GLY 86 -11.277 5.063 8.253 588 HA2 GLY 86 HA2 GLY 86 -10.346 4.751 5.502 589 HA3 GLY 86 HA1 GLY 86 -11.622 5.833 6.052 590 H TYR 87 HN TYR 87 -9.872 6.734 4.193 591 HA TYR 87 HA TYR 87 -7.541 8.078 5.144 592 HD1 TYR 87 HD2 TYR 87 -9.234 11.182 3.138 593 HD2 TYR 87 HD1 TYR 87 -5.731 8.716 2.826 594 HE1 TYR 87 HE2 TYR 87 -7.847 13.200 2.746 595 HE2 TYR 87 HE1 TYR 87 -4.346 10.733 2.431 596 HH TYR 87 HH TYR 87 -4.517 13.215 2.985 597 HB2 TYR 87 HB2 TYR 87 -7.959 7.740 2.758 598 HB3 TYR 87 HB1 TYR 87 -9.404 8.745 2.843 599 H ASP 88 HN ASP 88 -10.905 9.182 4.772 600 HA ASP 88 HA ASP 88 -10.450 11.857 5.698 601 HB2 ASP 88 HB2 ASP 88 -12.910 11.912 6.044 602 HB3 ASP 88 HB1 ASP 88 -12.487 11.239 4.471 603 H GLU 89 HN GLU 89 -11.118 8.826 7.350 604 HA GLU 89 HA GLU 89 -11.755 9.890 9.919 605 HB2 GLU 89 HB2 GLU 89 -11.995 7.470 9.118 606 HB3 GLU 89 HB1 GLU 89 -10.267 7.305 9.421 607 HG2 GLU 89 HG2 GLU 89 -12.180 8.301 11.542 608 HG3 GLU 89 HG1 GLU 89 -11.812 6.590 11.331 609 H ILE 90 HN ILE 90 -8.613 8.698 8.647 610 HA ILE 90 HA ILE 90 -7.138 9.506 10.979 611 HB ILE 90 HB ILE 90 -6.240 7.818 9.492 612 HG12 ILE 90 HG12 ILE 90 -4.569 10.331 9.207 613 HG13 ILE 90 HG11 ILE 90 -4.645 9.351 10.670 614 HG21 ILE 90 HG21 ILE 90 -6.180 9.979 7.370 615 HG22 ILE 90 HG22 ILE 90 -7.267 8.589 7.400 616 HG23 ILE 90 HG23 ILE 90 -5.530 8.346 7.203 617 HD11 ILE 90 HD11 ILE 90 -3.004 8.965 8.375 618 HD12 ILE 90 HD12 ILE 90 -4.122 7.603 8.451 619 HD13 ILE 90 HD13 ILE 90 -3.085 7.978 9.830 620 H LEU 91 HN LEU 91 -8.121 11.125 8.042 621 HA LEU 91 HA LEU 91 -6.315 13.318 8.120 622 HG LEU 91 HG LEU 91 -8.335 15.553 7.426 623 HB2 LEU 91 HB2 LEU 91 -7.787 12.833 6.183 624 HB3 LEU 91 HB1 LEU 91 -9.195 13.254 7.157 625 HD11 LEU 91 HD11 LEU 91 -5.981 14.368 5.978 626 HD12 LEU 91 HD12 LEU 91 -6.013 15.483 7.343 627 HD13 LEU 91 HD13 LEU 91 -6.362 16.073 5.721 628 HD21 LEU 91 HD21 LEU 91 -9.770 14.898 5.453 629 HD22 LEU 91 HD22 LEU 91 -8.293 14.741 4.503 630 HD23 LEU 91 HD23 LEU 91 -8.750 16.308 5.169 631 H GLU 92 HN GLU 92 -9.520 12.884 9.594 632 HA GLU 92 HA GLU 92 -9.302 15.491 10.981 633 HB2 GLU 92 HB2 GLU 92 -11.577 15.010 11.756 634 HB3 GLU 92 HB1 GLU 92 -11.482 14.719 10.019 635 HG2 GLU 92 HG2 GLU 92 -11.118 12.286 10.493 636 HG3 GLU 92 HG1 GLU 92 -11.362 12.616 12.207 637 H HIS 93 HN HIS 93 -9.119 12.055 11.608 638 HA HIS 93 HA HIS 93 -8.711 10.837 13.559 639 HD1 HIS 93 HD1 HIS 93 -7.411 11.159 16.426 640 HD2 HIS 93 HD2 HIS 93 -5.010 9.811 13.297 641 HE1 HIS 93 HE1 HIS 93 -6.200 9.105 17.283 642 HB2 HIS 93 HB2 HIS 93 -6.500 12.075 12.824 643 HB3 HIS 93 HB1 HIS 93 -6.738 12.980 14.317 644 H HIS 94 HN HIS 94 -10.530 10.976 14.791 645 HA HIS 94 HA HIS 94 -11.338 13.260 16.327 646 HD1 HIS 94 HD1 HIS 94 -14.135 13.434 16.086 647 HD2 HIS 94 HD2 HIS 94 -12.940 10.077 13.919 648 HE1 HIS 94 HE1 HIS 94 -15.448 13.474 13.920 649 HB2 HIS 94 HB2 HIS 94 -12.022 10.317 16.560 650 HB3 HIS 94 HB1 HIS 94 -12.817 11.581 17.498 651 H HIS 95 HN HIS 95 -9.080 10.680 16.910 652 HA HIS 95 HA HIS 95 -7.658 10.221 18.703 653 HD1 HIS 95 HD1 HIS 95 -5.226 10.940 18.359 654 HD2 HIS 95 HD2 HIS 95 -7.224 14.335 16.990 655 HE1 HIS 95 HE1 HIS 95 -3.912 11.793 16.367 656 HB2 HIS 95 HB2 HIS 95 -8.221 13.147 19.270 657 HB3 HIS 95 HB1 HIS 95 -7.003 12.195 20.116 658 H HIS 96 HN HIS 96 -9.075 8.723 19.657 659 HA HIS 96 HA HIS 96 -11.182 9.425 21.484 660 HD1 HIS 96 HD1 HIS 96 -10.153 7.212 18.528 661 HD2 HIS 96 HD2 HIS 96 -13.462 6.951 21.050 662 HE1 HIS 96 HE1 HIS 96 -12.160 6.812 17.036 663 HB2 HIS 96 HB2 HIS 96 -9.570 6.892 21.094 664 HB3 HIS 96 HB1 HIS 96 -10.914 7.009 22.229 665 H HIS 97 HN HIS 97 -7.764 8.605 21.919 666 HA HIS 97 HA HIS 97 -7.763 9.987 24.526 667 HD1 HIS 97 HD1 HIS 97 -4.702 7.927 25.731 668 HD2 HIS 97 HD2 HIS 97 -8.374 8.720 27.536 669 HE1 HIS 97 HE1 HIS 97 -4.199 8.545 28.135 670 HB2 HIS 97 HB2 HIS 97 -8.377 7.550 24.964 671 HB3 HIS 97 HB1 HIS 97 -6.783 7.126 24.343 672 H HIS 98 HN HIS 98 -6.088 8.266 21.962 673 HA HIS 98 HA HIS 98 -3.914 8.453 21.114 674 HD1 HIS 98 HD1 HIS 98 -2.661 9.795 19.090 675 HD2 HIS 98 HD2 HIS 98 -1.524 11.971 22.459 676 HE1 HIS 98 HE1 HIS 98 -0.245 10.461 18.729 677 HB2 HIS 98 HB2 HIS 98 -4.683 10.735 20.637 678 HB3 HIS 98 HB1 HIS 98 -4.202 11.249 22.254 Start of MODEL 10 1 HA ALA 12 HA ALA 12 -7.829 10.937 -14.061 2 H1 ALA 12 HN ALA 12 -6.885 13.505 -12.945 3 HB1 ALA 12 HB1 ALA 12 -5.741 9.771 -13.625 4 HB2 ALA 12 HB2 ALA 12 -5.008 11.240 -12.982 5 HB3 ALA 12 HB3 ALA 12 -5.407 11.128 -14.697 6 H PHE 13 HN PHE 13 -9.308 10.550 -12.477 7 HA PHE 13 HA PHE 13 -9.070 11.285 -9.723 8 HD1 PHE 13 HD1 PHE 13 -11.609 11.910 -8.760 9 HD2 PHE 13 HD2 PHE 13 -11.595 10.577 -12.844 10 HE1 PHE 13 HE1 PHE 13 -13.060 13.820 -9.388 11 HE2 PHE 13 HE2 PHE 13 -13.046 12.489 -13.472 12 HZ PHE 13 HZ PHE 13 -13.778 14.110 -11.744 13 HB2 PHE 13 HB2 PHE 13 -10.740 9.167 -11.103 14 HB3 PHE 13 HB1 PHE 13 -10.920 9.592 -9.401 15 H PHE 14 HN PHE 14 -7.975 8.487 -11.518 16 HA PHE 14 HA PHE 14 -7.580 6.660 -9.385 17 HD1 PHE 14 HD1 PHE 14 -7.697 4.131 -10.427 18 HD2 PHE 14 HD2 PHE 14 -7.866 7.179 -13.450 19 HE1 PHE 14 HE1 PHE 14 -9.614 2.971 -11.488 20 HE2 PHE 14 HE2 PHE 14 -9.784 6.018 -14.511 21 HZ PHE 14 HZ PHE 14 -10.658 3.914 -13.529 22 HB2 PHE 14 HB2 PHE 14 -6.014 7.077 -11.944 23 HB3 PHE 14 HB1 PHE 14 -5.780 5.702 -10.866 24 H ASN 15 HN ASN 15 -5.621 9.380 -10.501 25 HA ASN 15 HA ASN 15 -3.261 8.829 -8.989 26 HB2 ASN 15 HB2 ASN 15 -3.370 10.528 -10.780 27 HB3 ASN 15 HB1 ASN 15 -4.458 11.499 -9.787 28 HD21 ASN 15 HD21 ASN 15 -2.020 12.634 -10.596 29 HD22 ASN 15 HD22 ASN 15 -0.988 12.779 -9.254 30 H GLU 16 HN GLU 16 -6.237 10.583 -8.189 31 HA GLU 16 HA GLU 16 -5.407 11.526 -5.613 32 HB2 GLU 16 HB2 GLU 16 -8.145 10.926 -6.765 33 HB3 GLU 16 HB1 GLU 16 -7.891 11.721 -5.210 34 HG2 GLU 16 HG2 GLU 16 -6.667 13.536 -6.305 35 HG3 GLU 16 HG1 GLU 16 -6.813 12.723 -7.863 36 H GLN 17 HN GLN 17 -7.021 8.546 -6.670 37 HA GLN 17 HA GLN 17 -7.553 7.508 -4.047 38 HB2 GLN 17 HB2 GLN 17 -7.307 6.312 -6.801 39 HB3 GLN 17 HB1 GLN 17 -7.486 5.256 -5.400 40 HG2 GLN 17 HG2 GLN 17 -9.663 5.855 -6.501 41 HG3 GLN 17 HG1 GLN 17 -9.585 6.307 -4.799 42 HE21 GLN 17 HE21 GLN 17 -10.317 7.505 -7.892 43 HE22 GLN 17 HE22 GLN 17 -10.238 9.164 -7.538 44 H LYS 18 HN LYS 18 -4.784 7.182 -6.239 45 HA LYS 18 HA LYS 18 -3.344 5.251 -4.702 46 HB2 LYS 18 HB2 LYS 18 -2.425 7.384 -6.642 47 HB3 LYS 18 HB1 LYS 18 -1.346 6.170 -5.955 48 HG2 LYS 18 HG2 LYS 18 -2.761 4.376 -6.886 49 HG3 LYS 18 HG1 LYS 18 -3.849 5.584 -7.566 50 HD2 LYS 18 HD2 LYS 18 -2.054 6.462 -8.976 51 HD3 LYS 18 HD1 LYS 18 -0.905 5.337 -8.250 52 HE2 LYS 18 HE2 LYS 18 -1.678 4.444 -10.395 53 HE3 LYS 18 HE1 LYS 18 -2.284 3.437 -9.080 54 HZ1 LYS 18 HZ1 LYS 18 -3.790 4.581 -11.033 55 HZ2 LYS 18 HZ2 LYS 18 -4.037 5.613 -9.706 56 HZ3 LYS 18 HZ3 LYS 18 -4.376 3.953 -9.571 57 H GLU 19 HN GLU 19 -3.364 8.804 -4.623 58 HA GLU 19 HA GLU 19 -1.232 9.126 -2.744 59 HB2 GLU 19 HB2 GLU 19 -2.198 10.970 -4.112 60 HB3 GLU 19 HB1 GLU 19 -3.675 10.878 -3.152 61 HG2 GLU 19 HG2 GLU 19 -2.421 11.434 -1.118 62 HG3 GLU 19 HG1 GLU 19 -0.916 11.470 -2.037 63 H LYS 20 HN LYS 20 -4.741 8.753 -2.298 64 HA LYS 20 HA LYS 20 -4.759 9.120 0.538 65 HB2 LYS 20 HB2 LYS 20 -6.609 7.585 -1.302 66 HB3 LYS 20 HB1 LYS 20 -6.947 7.875 0.405 67 HG2 LYS 20 HG2 LYS 20 -6.811 10.312 0.021 68 HG3 LYS 20 HG1 LYS 20 -6.476 10.022 -1.686 69 HD2 LYS 20 HD2 LYS 20 -8.659 8.863 -1.905 70 HD3 LYS 20 HD1 LYS 20 -9.001 9.219 -0.211 71 HE2 LYS 20 HE2 LYS 20 -8.485 11.290 -2.367 72 HE3 LYS 20 HE1 LYS 20 -10.067 10.879 -1.705 73 HZ1 LYS 20 HZ1 LYS 20 -8.073 12.598 -0.644 74 HZ2 LYS 20 HZ2 LYS 20 -8.456 11.375 0.470 75 HZ3 LYS 20 HZ3 LYS 20 -9.678 12.384 -0.144 76 H VAL 21 HN VAL 21 -4.417 6.194 -1.459 77 HA VAL 21 HA VAL 21 -4.401 4.327 0.718 78 HB VAL 21 HB VAL 21 -3.172 4.172 -2.047 79 HG11 VAL 21 HG11 VAL 21 -3.511 2.090 0.123 80 HG12 VAL 21 HG12 VAL 21 -2.027 2.550 -0.712 81 HG13 VAL 21 HG13 VAL 21 -3.286 1.668 -1.574 82 HG21 VAL 21 HG21 VAL 21 -5.681 2.867 -0.962 83 HG22 VAL 21 HG22 VAL 21 -5.160 2.968 -2.644 84 HG23 VAL 21 HG23 VAL 21 -5.693 4.421 -1.798 85 H THR 22 HN THR 22 -1.781 6.044 -0.966 86 HA THR 22 HA THR 22 0.406 4.806 0.373 87 HB THR 22 HB THR 22 0.138 7.622 -0.718 88 HG1 THR 22 HG1 THR 22 -0.143 6.099 -2.304 89 HG21 THR 22 HG21 THR 22 2.499 6.033 0.279 90 HG22 THR 22 HG22 THR 22 2.041 7.691 0.668 91 HG23 THR 22 HG23 THR 22 2.699 7.308 -0.922 92 H LEU 23 HN LEU 23 -1.460 7.737 1.193 93 HA LEU 23 HA LEU 23 0.067 8.451 3.492 94 HG LEU 23 HG LEU 23 -2.198 9.335 5.312 95 HB2 LEU 23 HB2 LEU 23 -1.583 9.953 2.403 96 HB3 LEU 23 HB1 LEU 23 -2.886 8.908 2.966 97 HD11 LEU 23 HD11 LEU 23 -0.029 10.879 3.924 98 HD12 LEU 23 HD12 LEU 23 0.068 9.839 5.346 99 HD13 LEU 23 HD13 LEU 23 -0.615 11.455 5.483 100 HD21 LEU 23 HD21 LEU 23 -2.784 11.834 5.292 101 HD22 LEU 23 HD22 LEU 23 -3.940 10.748 4.528 102 HD23 LEU 23 HD23 LEU 23 -2.833 11.695 3.535 103 H TYR 24 HN TYR 24 -2.809 6.399 3.132 104 HA TYR 24 HA TYR 24 -3.238 5.871 5.894 105 HD1 TYR 24 HD2 TYR 24 -5.253 4.735 6.852 106 HD2 TYR 24 HD1 TYR 24 -3.892 1.943 3.885 107 HE1 TYR 24 HE2 TYR 24 -5.923 2.851 8.317 108 HE2 TYR 24 HE1 TYR 24 -4.566 0.060 5.347 109 HH TYR 24 HH TYR 24 -5.782 -0.491 7.190 110 HB2 TYR 24 HB2 TYR 24 -4.933 5.303 4.277 111 HB3 TYR 24 HB1 TYR 24 -3.827 4.236 3.413 112 H LEU 25 HN LEU 25 -1.243 4.183 3.486 113 HA LEU 25 HA LEU 25 -0.420 2.027 5.162 114 HG LEU 25 HG LEU 25 -1.282 2.177 2.473 115 HB2 LEU 25 HB2 LEU 25 0.914 3.371 2.805 116 HB3 LEU 25 HB1 LEU 25 1.538 1.907 3.556 117 HD11 LEU 25 HD11 LEU 25 -0.462 0.845 0.544 118 HD12 LEU 25 HD12 LEU 25 1.182 0.976 1.170 119 HD13 LEU 25 HD13 LEU 25 0.321 2.422 0.641 120 HD21 LEU 25 HD21 LEU 25 0.328 -0.058 3.692 121 HD22 LEU 25 HD22 LEU 25 -0.846 -0.454 2.442 122 HD23 LEU 25 HD23 LEU 25 -1.373 0.348 3.914 123 H LYS 26 HN LYS 26 1.034 5.232 4.619 124 HA LYS 26 HA LYS 26 3.389 4.785 6.158 125 HB2 LYS 26 HB2 LYS 26 1.829 7.298 5.540 126 HB3 LYS 26 HB1 LYS 26 3.363 7.315 6.406 127 HG2 LYS 26 HG2 LYS 26 4.457 6.190 4.503 128 HG3 LYS 26 HG1 LYS 26 2.921 6.159 3.635 129 HD2 LYS 26 HD2 LYS 26 2.835 8.603 3.623 130 HD3 LYS 26 HD1 LYS 26 4.315 8.683 4.579 131 HE2 LYS 26 HE2 LYS 26 5.556 7.569 2.762 132 HE3 LYS 26 HE1 LYS 26 4.079 7.479 1.804 133 HZ1 LYS 26 HZ1 LYS 26 5.869 9.659 2.142 134 HZ2 LYS 26 HZ2 LYS 26 4.292 10.107 2.590 135 HZ3 LYS 26 HZ3 LYS 26 4.593 9.481 1.040 136 H HIS 27 HN HIS 27 0.168 5.946 7.121 137 HA HIS 27 HA HIS 27 0.864 6.577 9.831 138 HD1 HIS 27 HD1 HIS 27 0.268 8.656 10.058 139 HD2 HIS 27 HD2 HIS 27 -2.646 7.990 7.156 140 HE1 HIS 27 HE1 HIS 27 -0.116 10.879 8.907 141 HB2 HIS 27 HB2 HIS 27 -1.766 5.795 8.558 142 HB3 HIS 27 HB1 HIS 27 -1.614 6.347 10.226 143 H ASN 28 HN ASN 28 -0.353 3.593 8.324 144 HA ASN 28 HA ASN 28 -0.260 2.206 10.945 145 HB2 ASN 28 HB2 ASN 28 -1.196 1.383 8.192 146 HB3 ASN 28 HB1 ASN 28 -1.135 0.276 9.563 147 HD21 ASN 28 HD21 ASN 28 -3.625 1.002 8.301 148 HD22 ASN 28 HD22 ASN 28 -4.538 1.896 9.416 149 H ILE 29 HN ILE 29 1.856 2.919 8.470 150 HA ILE 29 HA ILE 29 3.653 0.720 9.307 151 HB ILE 29 HB ILE 29 3.382 1.407 6.392 152 HG12 ILE 29 HG12 ILE 29 1.992 -0.762 7.999 153 HG13 ILE 29 HG11 ILE 29 1.208 0.566 7.145 154 HG21 ILE 29 HG21 ILE 29 4.596 -0.678 6.107 155 HG22 ILE 29 HG22 ILE 29 4.437 -1.049 7.824 156 HG23 ILE 29 HG23 ILE 29 5.457 0.290 7.303 157 HD11 ILE 29 HD11 ILE 29 2.331 -0.338 5.025 158 HD12 ILE 29 HD12 ILE 29 1.017 -1.307 5.693 159 HD13 ILE 29 HD13 ILE 29 2.693 -1.785 5.967 160 HA PRO 30 HA PRO 30 5.781 4.833 9.204 161 HB2 PRO 30 HB2 PRO 30 7.466 4.348 11.315 162 HB3 PRO 30 HB1 PRO 30 5.796 4.909 11.517 163 HG2 PRO 30 HG2 PRO 30 6.917 2.160 11.797 164 HG3 PRO 30 HG1 PRO 30 5.677 2.975 12.766 165 HD2 PRO 30 HD2 PRO 30 5.112 1.131 10.824 166 HD3 PRO 30 HD1 PRO 30 3.975 2.415 11.294 167 H ASP 31 HN ASP 31 6.908 1.599 8.920 168 HA ASP 31 HA ASP 31 9.647 2.398 8.121 169 HB2 ASP 31 HB2 ASP 31 8.267 -0.289 8.379 170 HB3 ASP 31 HB1 ASP 31 9.936 -0.090 7.845 171 H PHE 32 HN PHE 32 6.735 2.495 6.660 172 HA PHE 32 HA PHE 32 6.888 1.092 4.256 173 HD1 PHE 32 HD1 PHE 32 5.110 1.085 2.413 174 HD2 PHE 32 HD2 PHE 32 5.952 5.259 2.969 175 HE1 PHE 32 HE1 PHE 32 4.809 1.472 -0.015 176 HE2 PHE 32 HE2 PHE 32 5.647 5.647 0.541 177 HZ PHE 32 HZ PHE 32 5.076 3.758 -0.949 178 HB2 PHE 32 HB2 PHE 32 4.908 2.348 4.719 179 HB3 PHE 32 HB1 PHE 32 5.810 3.857 4.846 180 H ASN 33 HN ASN 33 8.018 1.303 2.373 181 HA ASN 33 HA ASN 33 10.130 3.428 2.258 182 HB2 ASN 33 HB2 ASN 33 10.884 1.032 2.364 183 HB3 ASN 33 HB1 ASN 33 10.054 0.759 0.830 184 HD21 ASN 33 HD21 ASN 33 12.887 0.451 1.024 185 HD22 ASN 33 HD22 ASN 33 13.626 1.683 0.119 186 H THR 34 HN THR 34 8.338 1.355 -0.068 187 HA THR 34 HA THR 34 7.523 3.786 -1.550 188 HB THR 34 HB THR 34 9.701 3.300 -2.515 189 HG1 THR 34 HG1 THR 34 7.362 2.919 -3.887 190 HG21 THR 34 HG21 THR 34 8.615 0.497 -2.892 191 HG22 THR 34 HG22 THR 34 9.925 0.974 -1.812 192 HG23 THR 34 HG23 THR 34 10.137 1.087 -3.559 193 H VAL 35 HN VAL 35 5.874 3.334 -3.158 194 HA VAL 35 HA VAL 35 4.549 0.662 -2.848 195 HB VAL 35 HB VAL 35 3.315 2.354 -1.554 196 HG11 VAL 35 HG11 VAL 35 4.173 4.262 -3.071 197 HG12 VAL 35 HG12 VAL 35 2.514 4.375 -2.483 198 HG13 VAL 35 HG13 VAL 35 2.828 3.843 -4.135 199 HG21 VAL 35 HG21 VAL 35 1.143 2.014 -2.560 200 HG22 VAL 35 HG22 VAL 35 2.108 0.567 -2.851 201 HG23 VAL 35 HG23 VAL 35 1.868 1.742 -4.145 202 H THR 36 HN THR 36 4.001 -0.293 -4.735 203 HA THR 36 HA THR 36 4.174 1.343 -7.247 204 HB THR 36 HB THR 36 4.862 -1.580 -6.818 205 HG1 THR 36 HG1 THR 36 6.958 -0.829 -7.281 206 HG21 THR 36 HG21 THR 36 4.737 0.188 -9.264 207 HG22 THR 36 HG22 THR 36 3.998 -1.395 -9.018 208 HG23 THR 36 HG23 THR 36 5.746 -1.258 -9.215 209 H PHE 37 HN PHE 37 2.232 1.552 -8.167 210 HA PHE 37 HA PHE 37 0.057 -0.326 -7.455 211 HD1 PHE 37 HD2 PHE 37 -1.559 0.892 -5.965 212 HD2 PHE 37 HD1 PHE 37 0.932 3.914 -7.726 213 HE1 PHE 37 HE2 PHE 37 -1.475 2.081 -3.794 214 HE2 PHE 37 HE1 PHE 37 1.021 5.105 -5.551 215 HZ PHE 37 HZ PHE 37 -0.182 4.189 -3.585 216 HB2 PHE 37 HB2 PHE 37 0.010 2.228 -9.092 217 HB3 PHE 37 HB1 PHE 37 -1.400 1.328 -8.529 218 H THR 38 HN THR 38 -0.384 -1.996 -8.751 219 HA THR 38 HA THR 38 0.493 -1.909 -11.614 220 HB THR 38 HB THR 38 0.221 -4.448 -11.396 221 HG1 THR 38 HG1 THR 38 -0.987 -4.032 -9.323 222 HG21 THR 38 HG21 THR 38 2.400 -4.680 -10.225 223 HG22 THR 38 HG22 THR 38 2.261 -3.011 -9.672 224 HG23 THR 38 HG23 THR 38 2.418 -3.359 -11.393 225 H ASN 39 HN ASN 39 -2.161 -1.430 -9.727 226 HA ASN 39 HA ASN 39 -4.455 -1.425 -10.152 227 HB2 ASN 39 HB2 ASN 39 -3.763 -0.225 -12.203 228 HB3 ASN 39 HB1 ASN 39 -3.572 -1.763 -13.037 229 HD21 ASN 39 HD21 ASN 39 -5.302 -1.472 -14.552 230 HD22 ASN 39 HD22 ASN 39 -6.929 -1.382 -14.080 231 H GLU 40 HN GLU 40 -4.092 -3.459 -12.949 232 HA GLU 40 HA GLU 40 -4.770 -5.644 -13.357 233 HB2 GLU 40 HB2 GLU 40 -2.862 -6.084 -11.773 234 HB3 GLU 40 HB1 GLU 40 -4.036 -6.160 -10.466 235 HG2 GLU 40 HG2 GLU 40 -4.318 -7.872 -12.941 236 HG3 GLU 40 HG1 GLU 40 -3.353 -8.392 -11.562 237 H GLU 41 HN GLU 41 -5.680 -5.901 -10.000 238 HA GLU 41 HA GLU 41 -8.249 -6.919 -10.522 239 HB2 GLU 41 HB2 GLU 41 -6.998 -7.046 -8.336 240 HB3 GLU 41 HB1 GLU 41 -7.447 -5.363 -8.052 241 HG2 GLU 41 HG2 GLU 41 -9.829 -5.954 -8.208 242 HG3 GLU 41 HG1 GLU 41 -9.400 -7.633 -8.529 243 H PHE 42 HN PHE 42 -10.333 -5.964 -10.466 244 HA PHE 42 HA PHE 42 -10.556 -3.029 -10.265 245 HD1 PHE 42 HD2 PHE 42 -10.319 -1.008 -12.143 246 HD2 PHE 42 HD1 PHE 42 -13.568 -3.678 -13.007 247 HE1 PHE 42 HE2 PHE 42 -11.797 0.935 -12.569 248 HE2 PHE 42 HE1 PHE 42 -15.051 -1.735 -13.433 249 HZ PHE 42 HZ PHE 42 -14.165 0.572 -13.213 250 HB2 PHE 42 HB2 PHE 42 -9.951 -3.418 -12.635 251 HB3 PHE 42 HB1 PHE 42 -11.327 -4.510 -12.799 252 H ASN 43 HN ASN 43 -11.998 -3.302 -8.565 253 HA ASN 43 HA ASN 43 -13.977 -5.148 -8.153 254 HB2 ASN 43 HB2 ASN 43 -13.805 -2.231 -7.524 255 HB3 ASN 43 HB1 ASN 43 -15.295 -3.102 -7.154 256 HD21 ASN 43 HD21 ASN 43 -14.227 -2.323 -4.868 257 HD22 ASN 43 HD22 ASN 43 -13.304 -3.526 -4.103 258 HA PRO 44 HA PRO 44 -16.335 -4.594 -12.054 259 HB2 PRO 44 HB2 PRO 44 -18.144 -6.433 -10.511 260 HB3 PRO 44 HB1 PRO 44 -17.595 -6.548 -12.195 261 HG2 PRO 44 HG2 PRO 44 -16.559 -8.103 -10.306 262 HG3 PRO 44 HG1 PRO 44 -15.544 -7.437 -11.601 263 HD2 PRO 44 HD2 PRO 44 -15.710 -6.617 -8.727 264 HD3 PRO 44 HD1 PRO 44 -14.317 -6.596 -9.841 265 H ILE 45 HN ILE 45 -17.605 -4.386 -8.758 266 HA ILE 45 HA ILE 45 -19.959 -2.833 -9.609 267 HB ILE 45 HB ILE 45 -18.915 -3.370 -6.813 268 HG12 ILE 45 HG12 ILE 45 -19.237 -5.506 -7.913 269 HG13 ILE 45 HG11 ILE 45 -20.589 -5.241 -6.815 270 HG21 ILE 45 HG21 ILE 45 -21.571 -2.459 -7.931 271 HG22 ILE 45 HG22 ILE 45 -20.556 -1.649 -6.736 272 HG23 ILE 45 HG23 ILE 45 -21.410 -3.130 -6.309 273 HD11 ILE 45 HD11 ILE 45 -21.650 -5.974 -8.778 274 HD12 ILE 45 HD12 ILE 45 -20.545 -5.085 -9.822 275 HD13 ILE 45 HD13 ILE 45 -21.780 -4.223 -8.909 276 H GLY 46 HN GLY 46 -16.711 -2.182 -9.109 277 HA2 GLY 46 HA2 GLY 46 -17.157 0.679 -9.176 278 HA3 GLY 46 HA1 GLY 46 -16.535 0.148 -7.613 279 H ILE 47 HN ILE 47 -14.375 0.554 -7.549 280 HA ILE 47 HA ILE 47 -12.707 -0.376 -9.852 281 HB ILE 47 HB ILE 47 -11.339 1.639 -9.702 282 HG12 ILE 47 HG12 ILE 47 -13.330 2.487 -7.566 283 HG13 ILE 47 HG11 ILE 47 -11.621 2.131 -7.309 284 HG21 ILE 47 HG21 ILE 47 -14.228 2.525 -9.808 285 HG22 ILE 47 HG22 ILE 47 -13.508 1.531 -11.078 286 HG23 ILE 47 HG23 ILE 47 -12.862 3.137 -10.745 287 HD11 ILE 47 HD11 ILE 47 -11.784 4.514 -7.461 288 HD12 ILE 47 HD12 ILE 47 -12.805 4.416 -8.894 289 HD13 ILE 47 HD13 ILE 47 -11.104 3.966 -8.994 290 H SER 48 HN SER 48 -10.627 -1.100 -9.262 291 HA SER 48 HA SER 48 -9.949 -1.119 -6.369 292 HG SER 48 HG SER 48 -9.895 -3.602 -5.290 293 HB2 SER 48 HB2 SER 48 -11.219 -3.219 -6.898 294 HB3 SER 48 HB1 SER 48 -9.977 -3.623 -8.072 295 H ILE 49 HN ILE 49 -7.749 -1.100 -6.007 296 HA ILE 49 HA ILE 49 -5.989 -1.265 -8.430 297 HB ILE 49 HB ILE 49 -5.814 0.665 -6.100 298 HG12 ILE 49 HG12 ILE 49 -6.186 1.190 -9.063 299 HG13 ILE 49 HG11 ILE 49 -7.525 1.109 -7.918 300 HG21 ILE 49 HG21 ILE 49 -3.577 0.038 -6.736 301 HG22 ILE 49 HG22 ILE 49 -3.903 1.601 -7.483 302 HG23 ILE 49 HG23 ILE 49 -3.979 0.129 -8.451 303 HD11 ILE 49 HD11 ILE 49 -6.754 3.444 -8.313 304 HD12 ILE 49 HD12 ILE 49 -5.168 3.002 -7.683 305 HD13 ILE 49 HD13 ILE 49 -6.581 2.955 -6.627 306 H ASP 50 HN ASP 50 -4.552 -2.857 -8.242 307 HA ASP 50 HA ASP 50 -3.836 -3.870 -5.525 308 HB2 ASP 50 HB2 ASP 50 -4.774 -5.480 -7.194 309 HB3 ASP 50 HB1 ASP 50 -3.407 -5.129 -8.251 310 H GLY 51 HN GLY 51 -1.577 -4.274 -5.080 311 HA2 GLY 51 HA2 GLY 51 0.519 -3.568 -6.905 312 HA3 GLY 51 HA1 GLY 51 0.185 -2.204 -5.838 313 H TYR 52 HN TYR 52 2.522 -2.785 -5.260 314 HA TYR 52 HA TYR 52 2.455 -4.463 -2.825 315 HD1 TYR 52 HD2 TYR 52 6.258 -3.826 -4.400 316 HD2 TYR 52 HD1 TYR 52 3.128 -5.544 -6.789 317 HE1 TYR 52 HE2 TYR 52 7.415 -3.073 -6.462 318 HE2 TYR 52 HE1 TYR 52 4.289 -4.793 -8.847 319 HH TYR 52 HH TYR 52 6.658 -4.226 -9.519 320 HB2 TYR 52 HB2 TYR 52 4.647 -5.512 -3.479 321 HB3 TYR 52 HB1 TYR 52 3.278 -6.047 -4.450 322 H ILE 53 HN ILE 53 4.379 -4.094 -1.458 323 HA ILE 53 HA ILE 53 5.543 -1.355 -1.915 324 HB ILE 53 HB ILE 53 5.473 -1.058 0.536 325 HG12 ILE 53 HG12 ILE 53 3.866 -3.633 0.549 326 HG13 ILE 53 HG11 ILE 53 5.541 -3.520 1.082 327 HG21 ILE 53 HG21 ILE 53 2.739 -1.856 -0.485 328 HG22 ILE 53 HG22 ILE 53 3.565 -0.391 -1.014 329 HG23 ILE 53 HG23 ILE 53 3.130 -0.593 0.683 330 HD11 ILE 53 HD11 ILE 53 3.121 -2.186 2.296 331 HD12 ILE 53 HD12 ILE 53 4.766 -1.682 2.678 332 HD13 ILE 53 HD13 ILE 53 4.235 -3.320 3.061 333 H ASN 54 HN ASN 54 7.593 -0.987 -0.785 334 HA ASN 54 HA ASN 54 9.825 -1.541 -0.408 335 HB2 ASN 54 HB2 ASN 54 8.440 -3.942 0.825 336 HB3 ASN 54 HB1 ASN 54 10.179 -3.670 0.935 337 HD21 ASN 54 HD21 ASN 54 7.242 -3.014 2.503 338 HD22 ASN 54 HD22 ASN 54 7.758 -1.711 3.461 339 H ASN 55 HN ASN 55 8.635 -2.234 -2.972 340 HA ASN 55 HA ASN 55 9.070 -3.517 -4.882 341 HB2 ASN 55 HB2 ASN 55 11.755 -3.453 -3.491 342 HB3 ASN 55 HB1 ASN 55 11.532 -4.131 -5.105 343 HD21 ASN 55 HD21 ASN 55 13.154 -1.787 -4.660 344 HD22 ASN 55 HD22 ASN 55 12.384 -0.469 -5.406 345 H ASP 56 HN ASP 56 8.058 -4.977 -2.513 346 HA ASP 56 HA ASP 56 9.249 -7.682 -3.024 347 HB2 ASP 56 HB2 ASP 56 7.805 -6.523 -0.631 348 HB3 ASP 56 HB1 ASP 56 8.087 -8.255 -0.829 349 H LYS 57 HN LYS 57 8.057 -8.637 -4.569 350 HA LYS 57 HA LYS 57 5.359 -8.082 -5.243 351 HB2 LYS 57 HB2 LYS 57 7.021 -10.588 -5.623 352 HB3 LYS 57 HB1 LYS 57 5.451 -10.330 -6.381 353 HG2 LYS 57 HG2 LYS 57 6.323 -8.303 -7.497 354 HG3 LYS 57 HG1 LYS 57 7.894 -8.563 -6.738 355 HD2 LYS 57 HD2 LYS 57 8.101 -10.736 -7.882 356 HD3 LYS 57 HD1 LYS 57 6.522 -10.500 -8.631 357 HE2 LYS 57 HE2 LYS 57 7.366 -8.460 -9.753 358 HE3 LYS 57 HE1 LYS 57 8.949 -8.721 -9.020 359 HZ1 LYS 57 HZ1 LYS 57 8.051 -9.755 -11.401 360 HZ2 LYS 57 HZ2 LYS 57 8.010 -11.068 -10.325 361 HZ3 LYS 57 HZ3 LYS 57 9.457 -10.210 -10.565 362 H ASN 58 HN ASN 58 6.747 -10.322 -2.894 363 HA ASN 58 HA ASN 58 4.386 -11.834 -2.344 364 HB2 ASN 58 HB2 ASN 58 6.763 -11.111 -0.609 365 HB3 ASN 58 HB1 ASN 58 5.501 -12.232 -0.103 366 HD21 ASN 58 HD21 ASN 58 5.317 -13.114 -3.100 367 HD22 ASN 58 HD22 ASN 58 6.622 -14.182 -3.267 368 H LEU 59 HN LEU 59 5.586 -8.755 -1.044 369 HA LEU 59 HA LEU 59 3.337 -8.535 0.834 370 HG LEU 59 HG LEU 59 6.461 -8.471 0.938 371 HB2 LEU 59 HB2 LEU 59 5.385 -6.454 0.014 372 HB3 LEU 59 HB1 LEU 59 4.318 -6.376 1.417 373 HD11 LEU 59 HD11 LEU 59 7.156 -6.074 1.568 374 HD12 LEU 59 HD12 LEU 59 7.744 -7.371 2.606 375 HD13 LEU 59 HD13 LEU 59 6.378 -6.381 3.119 376 HD21 LEU 59 HD21 LEU 59 4.842 -9.590 2.222 377 HD22 LEU 59 HD22 LEU 59 4.344 -8.119 3.061 378 HD23 LEU 59 HD23 LEU 59 5.874 -8.894 3.468 379 H SER 60 HN SER 60 1.614 -8.716 -0.742 380 HA SER 60 HA SER 60 1.306 -6.413 -2.602 381 HG SER 60 HG SER 60 1.314 -9.814 -2.982 382 HB2 SER 60 HB2 SER 60 -0.464 -8.846 -2.398 383 HB3 SER 60 HB1 SER 60 -0.329 -7.711 -3.739 384 H PHE 61 HN PHE 61 -0.811 -5.358 -2.721 385 HA PHE 61 HA PHE 61 -2.519 -5.569 -0.308 386 HD1 PHE 61 HD2 PHE 61 -3.153 -1.798 -1.773 387 HD2 PHE 61 HD1 PHE 61 0.865 -3.295 -1.502 388 HE1 PHE 61 HE2 PHE 61 -2.434 -0.190 -3.521 389 HE2 PHE 61 HE1 PHE 61 1.582 -1.683 -3.244 390 HZ PHE 61 HZ PHE 61 -0.067 -0.132 -4.254 391 HB2 PHE 61 HB2 PHE 61 -2.414 -3.177 0.139 392 HB3 PHE 61 HB1 PHE 61 -0.783 -3.838 0.192 393 H THR 62 HN THR 62 -4.621 -4.631 -0.657 394 HA THR 62 HA THR 62 -5.217 -3.838 -3.480 395 HB THR 62 HB THR 62 -6.786 -5.809 -1.794 396 HG1 THR 62 HG1 THR 62 -5.086 -6.845 -2.698 397 HG21 THR 62 HG21 THR 62 -7.284 -4.597 -4.524 398 HG22 THR 62 HG22 THR 62 -8.315 -4.471 -3.098 399 HG23 THR 62 HG23 THR 62 -8.132 -6.020 -3.921 400 H ALA 63 HN ALA 63 -6.511 -2.087 -3.627 401 HA ALA 63 HA ALA 63 -8.022 -1.212 -1.194 402 HB1 ALA 63 HB1 ALA 63 -7.500 1.137 -1.905 403 HB2 ALA 63 HB2 ALA 63 -6.406 0.479 -3.124 404 HB3 ALA 63 HB3 ALA 63 -6.074 0.227 -1.411 405 H GLY 64 HN GLY 64 -10.082 -0.516 -1.579 406 HA2 GLY 64 HA2 GLY 64 -11.061 -0.664 -4.403 407 HA3 GLY 64 HA1 GLY 64 -12.027 -1.074 -2.995 408 H LYS 65 HN LYS 65 -11.927 1.101 -5.272 409 HA LYS 65 HA LYS 65 -12.431 3.369 -5.502 410 HB2 LYS 65 HB2 LYS 65 -14.494 2.057 -4.364 411 HB3 LYS 65 HB1 LYS 65 -14.180 3.198 -3.062 412 HG2 LYS 65 HG2 LYS 65 -14.420 5.083 -4.610 413 HG3 LYS 65 HG1 LYS 65 -14.615 3.975 -5.968 414 HD2 LYS 65 HD2 LYS 65 -16.654 3.052 -4.928 415 HD3 LYS 65 HD1 LYS 65 -16.473 4.188 -3.587 416 HE2 LYS 65 HE2 LYS 65 -16.662 6.081 -5.143 417 HE3 LYS 65 HE1 LYS 65 -16.804 4.962 -6.500 418 HZ1 LYS 65 HZ1 LYS 65 -18.777 4.015 -5.318 419 HZ2 LYS 65 HZ2 LYS 65 -18.980 5.595 -5.906 420 HZ3 LYS 65 HZ3 LYS 65 -18.697 5.331 -4.252 421 H ASP 66 HN ASP 66 -13.410 4.952 -3.132 422 HA ASP 66 HA ASP 66 -10.907 6.205 -2.488 423 HB2 ASP 66 HB2 ASP 66 -13.105 7.379 -2.596 424 HB3 ASP 66 HB1 ASP 66 -13.606 6.519 -1.140 425 H VAL 67 HN VAL 67 -10.171 3.855 -1.779 426 HA VAL 67 HA VAL 67 -9.491 2.425 -0.069 427 HB VAL 67 HB VAL 67 -9.822 4.710 1.868 428 HG11 VAL 67 HG11 VAL 67 -8.818 2.515 2.548 429 HG12 VAL 67 HG12 VAL 67 -7.697 3.865 2.713 430 HG13 VAL 67 HG13 VAL 67 -7.553 2.763 1.344 431 HG21 VAL 67 HG21 VAL 67 -9.006 5.902 -0.024 432 HG22 VAL 67 HG22 VAL 67 -7.951 4.572 -0.505 433 HG23 VAL 67 HG23 VAL 67 -7.570 5.526 0.928 434 H LYS 68 HN LYS 68 -12.466 3.017 -0.514 435 HA LYS 68 HA LYS 68 -13.828 2.791 1.990 436 HB2 LYS 68 HB2 LYS 68 -14.608 1.868 -0.791 437 HB3 LYS 68 HB1 LYS 68 -15.713 1.941 0.577 438 HG2 LYS 68 HG2 LYS 68 -14.147 4.384 -0.248 439 HG3 LYS 68 HG1 LYS 68 -15.635 3.956 -1.089 440 HD2 LYS 68 HD2 LYS 68 -16.848 3.965 1.072 441 HD3 LYS 68 HD1 LYS 68 -15.367 4.438 1.897 442 HE2 LYS 68 HE2 LYS 68 -15.256 6.490 0.535 443 HE3 LYS 68 HE1 LYS 68 -16.752 6.025 -0.277 444 HZ1 LYS 68 HZ1 LYS 68 -17.112 5.858 2.505 445 HZ2 LYS 68 HZ2 LYS 68 -17.909 6.864 1.393 446 HZ3 LYS 68 HZ3 LYS 68 -16.472 7.385 2.135 447 H ILE 69 HN ILE 69 -12.647 0.349 -0.318 448 HA ILE 69 HA ILE 69 -12.895 -1.682 1.884 449 HB ILE 69 HB ILE 69 -13.653 -2.040 -1.029 450 HG12 ILE 69 HG12 ILE 69 -15.306 -2.379 1.492 451 HG13 ILE 69 HG11 ILE 69 -15.295 -0.898 0.535 452 HG21 ILE 69 HG21 ILE 69 -14.312 -4.359 -0.147 453 HG22 ILE 69 HG22 ILE 69 -13.310 -3.992 1.256 454 HG23 ILE 69 HG23 ILE 69 -12.586 -4.064 -0.351 455 HD11 ILE 69 HD11 ILE 69 -15.920 -3.598 -0.672 456 HD12 ILE 69 HD12 ILE 69 -16.216 -2.004 -1.368 457 HD13 ILE 69 HD13 ILE 69 -17.168 -2.555 0.010 458 H PHE 70 HN PHE 70 -10.913 -2.395 2.341 459 HA PHE 70 HA PHE 70 -9.017 -2.934 0.104 460 HD1 PHE 70 HD2 PHE 70 -6.938 -2.788 3.690 461 HD2 PHE 70 HD1 PHE 70 -9.846 0.218 2.719 462 HE1 PHE 70 HE2 PHE 70 -7.221 -2.281 6.102 463 HE2 PHE 70 HE1 PHE 70 -10.131 0.724 5.130 464 HZ PHE 70 HZ PHE 70 -8.817 -0.526 6.821 465 HB2 PHE 70 HB2 PHE 70 -7.180 -1.910 1.396 466 HB3 PHE 70 HB1 PHE 70 -8.422 -0.720 1.015 467 H SER 71 HN SER 71 -7.469 -4.570 0.603 468 HA SER 71 HA SER 71 -7.826 -5.999 3.198 469 HG SER 71 HG SER 71 -7.321 -8.954 1.652 470 HB2 SER 71 HB2 SER 71 -9.304 -7.095 1.533 471 HB3 SER 71 HB1 SER 71 -7.921 -7.324 0.469 472 H SER 72 HN SER 72 -5.981 -7.167 3.846 473 HA SER 72 HA SER 72 -3.552 -6.909 2.109 474 HG SER 72 HG SER 72 -1.783 -6.904 5.073 475 HB2 SER 72 HB2 SER 72 -3.414 -5.157 3.790 476 HB3 SER 72 HB1 SER 72 -3.793 -6.305 5.072 477 H SER 73 HN SER 73 -2.072 -8.596 2.307 478 HA SER 73 HA SER 73 -3.174 -11.136 3.174 479 HG SER 73 HG SER 73 -0.279 -9.389 2.427 480 HB2 SER 73 HB2 SER 73 -1.109 -12.078 2.294 481 HB3 SER 73 HB1 SER 73 -1.713 -10.863 1.172 482 H GLU 74 HN GLU 74 -1.753 -12.639 4.512 483 HA GLU 74 HA GLU 74 -1.450 -11.616 7.152 484 HB2 GLU 74 HB2 GLU 74 -0.292 -14.111 5.871 485 HB3 GLU 74 HB1 GLU 74 -0.312 -13.793 7.602 486 HG2 GLU 74 HG2 GLU 74 -2.248 -15.072 7.363 487 HG3 GLU 74 HG1 GLU 74 -2.909 -13.447 7.231 488 H GLU 75 HN GLU 75 0.947 -12.309 4.611 489 HA GLU 75 HA GLU 75 3.279 -11.707 6.140 490 HB2 GLU 75 HB2 GLU 75 2.715 -11.470 3.172 491 HB3 GLU 75 HB1 GLU 75 4.320 -11.280 3.881 492 HG2 GLU 75 HG2 GLU 75 4.230 -13.549 4.782 493 HG3 GLU 75 HG1 GLU 75 2.580 -13.742 4.194 494 H LEU 76 HN LEU 76 1.151 -9.655 4.174 495 HA LEU 76 HA LEU 76 2.732 -7.256 4.708 496 HG LEU 76 HG LEU 76 0.139 -5.403 4.456 497 HB2 LEU 76 HB2 LEU 76 1.487 -7.416 2.622 498 HB3 LEU 76 HB1 LEU 76 -0.019 -7.658 3.501 499 HD11 LEU 76 HD11 LEU 76 2.440 -4.974 4.719 500 HD12 LEU 76 HD12 LEU 76 1.982 -3.904 3.403 501 HD13 LEU 76 HD13 LEU 76 2.810 -5.422 3.054 502 HD21 LEU 76 HD21 LEU 76 0.625 -5.389 1.464 503 HD22 LEU 76 HD22 LEU 76 -0.163 -4.116 2.397 504 HD23 LEU 76 HD23 LEU 76 -0.930 -5.696 2.239 505 H ASP 77 HN ASP 77 0.034 -8.918 6.145 506 HA ASP 77 HA ASP 77 -1.123 -6.794 7.644 507 HB2 ASP 77 HB2 ASP 77 -2.163 -9.021 7.359 508 HB3 ASP 77 HB1 ASP 77 -0.901 -9.723 8.371 509 H LYS 78 HN LYS 78 1.606 -8.953 8.375 510 HA LYS 78 HA LYS 78 1.965 -8.237 11.099 511 HB2 LYS 78 HB2 LYS 78 4.048 -9.305 10.931 512 HB3 LYS 78 HB1 LYS 78 3.134 -10.058 9.628 513 HG2 LYS 78 HG2 LYS 78 4.124 -8.273 8.086 514 HG3 LYS 78 HG1 LYS 78 5.209 -7.860 9.405 515 HD2 LYS 78 HD2 LYS 78 6.044 -10.174 9.465 516 HD3 LYS 78 HD1 LYS 78 4.971 -10.591 8.127 517 HE2 LYS 78 HE2 LYS 78 6.089 -8.909 6.704 518 HE3 LYS 78 HE1 LYS 78 7.173 -8.509 8.036 519 HZ1 LYS 78 HZ1 LYS 78 7.027 -10.985 6.449 520 HZ2 LYS 78 HZ2 LYS 78 7.676 -11.014 8.018 521 HZ3 LYS 78 HZ3 LYS 78 8.381 -10.033 6.822 522 H MET 79 HN MET 79 2.794 -6.535 8.162 523 HA MET 79 HA MET 79 4.711 -4.718 9.250 524 HB2 MET 79 HB2 MET 79 2.765 -4.356 6.953 525 HB3 MET 79 HB1 MET 79 4.142 -3.309 7.283 526 HG2 MET 79 HG2 MET 79 4.331 -6.281 6.726 527 HG3 MET 79 HG1 MET 79 4.648 -5.017 5.541 528 HE1 MET 79 HE1 MET 79 6.429 -2.746 7.439 529 HE2 MET 79 HE2 MET 79 6.100 -3.218 5.775 530 HE3 MET 79 HE3 MET 79 7.741 -3.326 6.405 531 H PHE 80 HN PHE 80 1.181 -4.663 9.130 532 HA PHE 80 HA PHE 80 0.845 -1.946 9.944 533 HD1 PHE 80 HD1 PHE 80 0.123 -4.152 7.638 534 HD2 PHE 80 HD2 PHE 80 -2.684 -1.464 9.474 535 HE1 PHE 80 HE1 PHE 80 -0.591 -3.362 5.397 536 HE2 PHE 80 HE2 PHE 80 -3.391 -0.673 7.235 537 HZ PHE 80 HZ PHE 80 -2.346 -1.622 5.196 538 HB2 PHE 80 HB2 PHE 80 -0.884 -4.417 10.122 539 HB3 PHE 80 HB1 PHE 80 -1.420 -2.893 10.830 540 H GLN 81 HN GLN 81 0.909 -0.990 11.919 541 HA GLN 81 HA GLN 81 1.590 -2.719 14.286 542 HB2 GLN 81 HB2 GLN 81 2.285 0.154 13.621 543 HB3 GLN 81 HB1 GLN 81 2.600 -0.593 15.190 544 HG2 GLN 81 HG2 GLN 81 3.992 -2.304 14.115 545 HG3 GLN 81 HG1 GLN 81 3.642 -1.610 12.531 546 HE21 GLN 81 HE21 GLN 81 6.245 -1.586 12.842 547 HE22 GLN 81 HE22 GLN 81 6.863 -0.105 13.395 548 H GLU 82 HN GLU 82 -0.599 -0.358 12.973 549 HA GLU 82 HA GLU 82 -1.965 -0.160 15.619 550 HB2 GLU 82 HB2 GLU 82 -2.676 1.768 13.446 551 HB3 GLU 82 HB1 GLU 82 -2.531 2.033 15.184 552 HG2 GLU 82 HG2 GLU 82 -0.052 1.814 14.964 553 HG3 GLU 82 HG1 GLU 82 -0.258 1.721 13.215 554 HA PRO 83 HA PRO 83 -5.588 -2.204 14.157 555 HB2 PRO 83 HB2 PRO 83 -7.234 0.233 14.717 556 HB3 PRO 83 HB1 PRO 83 -7.427 -1.418 15.336 557 HG2 PRO 83 HG2 PRO 83 -6.474 0.495 16.894 558 HG3 PRO 83 HG1 PRO 83 -5.781 -1.139 16.947 559 HD2 PRO 83 HD2 PRO 83 -4.690 1.325 15.617 560 HD3 PRO 83 HD1 PRO 83 -3.847 0.074 16.551 561 H ARG 84 HN ARG 84 -6.829 -2.468 12.274 562 HA ARG 84 HA ARG 84 -6.138 -0.860 9.993 563 HE ARG 84 HE ARG 84 -7.295 -3.640 7.271 564 HB2 ARG 84 HB2 ARG 84 -8.305 -2.939 10.406 565 HB3 ARG 84 HB1 ARG 84 -7.905 -2.228 8.841 566 HG2 ARG 84 HG2 ARG 84 -5.617 -3.069 9.004 567 HG3 ARG 84 HG1 ARG 84 -5.937 -3.700 10.618 568 HD2 ARG 84 HD2 ARG 84 -6.097 -5.521 9.001 569 HD3 ARG 84 HD1 ARG 84 -7.700 -5.181 9.650 570 HH11 ARG 84 HH21 ARG 84 -7.771 -6.867 8.402 571 HH12 ARG 84 HH22 ARG 84 -8.551 -7.398 6.950 572 HH21 ARG 84 HH11 ARG 84 -8.309 -4.322 5.377 573 HH22 ARG 84 HH12 ARG 84 -8.856 -5.958 5.238 574 H LYS 85 HN LYS 85 -7.009 1.048 9.401 575 HA LYS 85 HA LYS 85 -9.828 1.670 10.156 576 HB2 LYS 85 HB2 LYS 85 -7.427 3.492 10.464 577 HB3 LYS 85 HB1 LYS 85 -9.103 3.995 10.677 578 HG2 LYS 85 HG2 LYS 85 -7.786 1.772 12.265 579 HG3 LYS 85 HG1 LYS 85 -7.926 3.434 12.833 580 HD2 LYS 85 HD2 LYS 85 -10.471 3.152 12.373 581 HD3 LYS 85 HD1 LYS 85 -10.129 1.425 12.341 582 HE2 LYS 85 HE2 LYS 85 -9.140 1.556 14.580 583 HE3 LYS 85 HE1 LYS 85 -9.478 3.285 14.633 584 HZ1 LYS 85 HZ1 LYS 85 -11.582 1.256 14.168 585 HZ2 LYS 85 HZ2 LYS 85 -11.780 2.892 14.581 586 HZ3 LYS 85 HZ3 LYS 85 -11.164 1.793 15.722 587 H GLY 86 HN GLY 86 -10.850 3.197 8.800 588 HA2 GLY 86 HA2 GLY 86 -10.010 2.952 6.031 589 HA3 GLY 86 HA1 GLY 86 -11.453 3.774 6.606 590 H TYR 87 HN TYR 87 -9.978 4.885 4.605 591 HA TYR 87 HA TYR 87 -7.959 6.734 5.348 592 HD1 TYR 87 HD1 TYR 87 -6.421 7.741 3.562 593 HD2 TYR 87 HD2 TYR 87 -10.380 9.153 2.681 594 HE1 TYR 87 HE1 TYR 87 -5.499 9.968 2.982 595 HE2 TYR 87 HE2 TYR 87 -9.459 11.381 2.107 596 HH TYR 87 HH TYR 87 -6.350 11.962 1.415 597 HB2 TYR 87 HB2 TYR 87 -8.419 6.180 3.024 598 HB3 TYR 87 HB1 TYR 87 -10.036 6.872 3.152 599 H ASP 88 HN ASP 88 -11.498 7.050 5.236 600 HA ASP 88 HA ASP 88 -11.609 9.825 5.915 601 HB2 ASP 88 HB2 ASP 88 -13.969 9.268 6.634 602 HB3 ASP 88 HB1 ASP 88 -13.562 8.765 4.994 603 H GLU 89 HN GLU 89 -11.434 6.915 7.910 604 HA GLU 89 HA GLU 89 -12.048 8.155 10.417 605 HB2 GLU 89 HB2 GLU 89 -10.478 5.683 9.656 606 HB3 GLU 89 HB1 GLU 89 -10.692 6.161 11.337 607 HG2 GLU 89 HG2 GLU 89 -12.465 4.658 10.964 608 HG3 GLU 89 HG1 GLU 89 -13.233 6.228 10.782 609 H ILE 90 HN ILE 90 -8.905 7.487 8.838 610 HA ILE 90 HA ILE 90 -7.386 8.726 10.955 611 HB ILE 90 HB ILE 90 -5.503 8.660 9.317 612 HG12 ILE 90 HG12 ILE 90 -7.524 7.420 7.451 613 HG13 ILE 90 HG11 ILE 90 -7.005 9.090 7.307 614 HG21 ILE 90 HG21 ILE 90 -5.654 6.125 8.949 615 HG22 ILE 90 HG22 ILE 90 -7.251 6.223 9.693 616 HG23 ILE 90 HG23 ILE 90 -5.820 6.684 10.615 617 HD11 ILE 90 HD11 ILE 90 -4.896 6.963 7.444 618 HD12 ILE 90 HD12 ILE 90 -4.862 8.530 6.638 619 HD13 ILE 90 HD13 ILE 90 -5.769 7.196 5.932 620 H LEU 91 HN LEU 91 -8.773 9.936 7.929 621 HA LEU 91 HA LEU 91 -7.407 12.440 7.906 622 HG LEU 91 HG LEU 91 -9.837 14.194 7.043 623 HB2 LEU 91 HB2 LEU 91 -8.679 11.596 5.966 624 HB3 LEU 91 HB1 LEU 91 -10.180 11.760 6.874 625 HD11 LEU 91 HD11 LEU 91 -7.947 15.080 5.435 626 HD12 LEU 91 HD12 LEU 91 -7.224 13.497 5.719 627 HD13 LEU 91 HD13 LEU 91 -7.533 14.586 7.073 628 HD21 LEU 91 HD21 LEU 91 -11.102 13.467 5.132 629 HD22 LEU 91 HD22 LEU 91 -9.639 13.002 4.264 630 HD23 LEU 91 HD23 LEU 91 -9.986 14.706 4.559 631 H GLU 92 HN GLU 92 -10.489 11.450 9.385 632 HA GLU 92 HA GLU 92 -11.169 14.054 10.397 633 HB2 GLU 92 HB2 GLU 92 -11.970 11.263 11.265 634 HB3 GLU 92 HB1 GLU 92 -12.671 12.732 11.945 635 HG2 GLU 92 HG2 GLU 92 -13.472 13.413 9.740 636 HG3 GLU 92 HG1 GLU 92 -12.689 12.018 8.997 637 H HIS 93 HN HIS 93 -9.329 11.326 11.718 638 HA HIS 93 HA HIS 93 -8.981 12.655 14.308 639 HD1 HIS 93 HD1 HIS 93 -8.430 11.197 16.695 640 HD2 HIS 93 HD2 HIS 93 -5.208 10.232 14.234 641 HE1 HIS 93 HE1 HIS 93 -6.389 11.111 18.190 642 HB2 HIS 93 HB2 HIS 93 -9.083 10.237 14.282 643 HB3 HIS 93 HB1 HIS 93 -7.769 10.150 13.110 644 H HIS 94 HN HIS 94 -7.482 14.201 14.643 645 HA HIS 94 HA HIS 94 -4.774 13.956 13.673 646 HD1 HIS 94 HD1 HIS 94 -4.324 17.738 13.191 647 HD2 HIS 94 HD2 HIS 94 -3.389 14.565 10.654 648 HE1 HIS 94 HE1 HIS 94 -2.004 18.202 12.288 649 HB2 HIS 94 HB2 HIS 94 -6.022 14.751 11.615 650 HB3 HIS 94 HB1 HIS 94 -6.387 16.236 12.496 651 H HIS 95 HN HIS 95 -4.993 14.134 16.133 652 HA HIS 95 HA HIS 95 -4.749 15.366 18.111 653 HD1 HIS 95 HD1 HIS 95 -2.337 15.253 15.012 654 HD2 HIS 95 HD2 HIS 95 -1.565 15.805 19.074 655 HE1 HIS 95 HE1 HIS 95 -0.308 13.836 15.557 656 HB2 HIS 95 HB2 HIS 95 -3.599 17.306 16.087 657 HB3 HIS 95 HB1 HIS 95 -3.458 17.505 17.833 658 H HIS 96 HN HIS 96 -7.067 16.020 15.979 659 HA HIS 96 HA HIS 96 -7.989 18.651 16.667 660 HD1 HIS 96 HD1 HIS 96 -9.575 20.010 15.151 661 HD2 HIS 96 HD2 HIS 96 -12.185 16.969 16.299 662 HE1 HIS 96 HE1 HIS 96 -11.845 21.090 15.446 663 HB2 HIS 96 HB2 HIS 96 -8.773 17.390 14.676 664 HB3 HIS 96 HB1 HIS 96 -9.579 16.238 15.741 665 H HIS 97 HN HIS 97 -8.604 15.434 18.035 666 HA HIS 97 HA HIS 97 -10.650 16.292 19.870 667 HD1 HIS 97 HD1 HIS 97 -12.580 14.394 19.651 668 HD2 HIS 97 HD2 HIS 97 -9.422 12.848 17.412 669 HE1 HIS 97 HE1 HIS 97 -13.613 13.319 17.606 670 HB2 HIS 97 HB2 HIS 97 -8.817 13.882 19.920 671 HB3 HIS 97 HB1 HIS 97 -10.224 14.097 20.964 672 H HIS 98 HN HIS 98 -10.496 17.084 21.929 673 HA HIS 98 HA HIS 98 -8.084 16.834 23.535 674 HD1 HIS 98 HD1 HIS 98 -8.672 20.636 24.924 675 HD2 HIS 98 HD2 HIS 98 -5.345 18.354 23.876 676 HE1 HIS 98 HE1 HIS 98 -6.912 21.084 26.689 677 HB2 HIS 98 HB2 HIS 98 -7.471 18.698 21.965 678 HB3 HIS 98 HB1 HIS 98 -8.854 19.608 22.574 Start of MODEL 11 1 HA ALA 12 HA ALA 12 -8.093 9.974 -14.037 2 H1 ALA 12 HN ALA 12 -8.220 12.859 -14.004 3 HB1 ALA 12 HB1 ALA 12 -5.755 10.376 -13.158 4 HB2 ALA 12 HB2 ALA 12 -6.130 12.099 -13.123 5 HB3 ALA 12 HB3 ALA 12 -6.125 11.227 -14.657 6 H PHE 13 HN PHE 13 -9.823 9.615 -12.454 7 HA PHE 13 HA PHE 13 -9.686 10.372 -9.716 8 HD1 PHE 13 HD1 PHE 13 -12.209 10.584 -8.750 9 HD2 PHE 13 HD2 PHE 13 -12.125 9.114 -12.786 10 HE1 PHE 13 HE1 PHE 13 -13.984 12.199 -9.375 11 HE2 PHE 13 HE2 PHE 13 -13.900 10.732 -13.410 12 HZ PHE 13 HZ PHE 13 -14.830 12.274 -11.704 13 HB2 PHE 13 HB2 PHE 13 -10.940 7.956 -11.059 14 HB3 PHE 13 HB1 PHE 13 -11.178 8.365 -9.360 15 H PHE 14 HN PHE 14 -8.074 7.871 -11.536 16 HA PHE 14 HA PHE 14 -7.297 6.110 -9.454 17 HD1 PHE 14 HD2 PHE 14 -6.750 3.553 -10.659 18 HD2 PHE 14 HD1 PHE 14 -7.916 6.675 -13.369 19 HE1 PHE 14 HE2 PHE 14 -8.417 2.034 -11.690 20 HE2 PHE 14 HE1 PHE 14 -9.584 5.154 -14.401 21 HZ PHE 14 HZ PHE 14 -9.835 2.836 -13.560 22 HB2 PHE 14 HB2 PHE 14 -5.886 6.868 -12.034 23 HB3 PHE 14 HB1 PHE 14 -5.361 5.556 -10.980 24 H ASN 15 HN ASN 15 -5.842 9.135 -10.603 25 HA ASN 15 HA ASN 15 -3.419 8.986 -9.101 26 HB2 ASN 15 HB2 ASN 15 -5.041 11.345 -10.103 27 HB3 ASN 15 HB1 ASN 15 -3.472 11.525 -9.316 28 HD21 ASN 15 HD21 ASN 15 -3.889 12.286 -12.057 29 HD22 ASN 15 HD22 ASN 15 -2.972 11.248 -13.040 30 H GLU 16 HN GLU 16 -6.621 10.283 -8.313 31 HA GLU 16 HA GLU 16 -5.922 11.372 -5.754 32 HB2 GLU 16 HB2 GLU 16 -8.570 10.400 -6.876 33 HB3 GLU 16 HB1 GLU 16 -8.408 11.232 -5.330 34 HG2 GLU 16 HG2 GLU 16 -7.437 13.185 -6.451 35 HG3 GLU 16 HG1 GLU 16 -7.523 12.355 -8.004 36 H GLN 17 HN GLN 17 -7.122 8.214 -6.801 37 HA GLN 17 HA GLN 17 -7.555 7.095 -4.206 38 HB2 GLN 17 HB2 GLN 17 -6.860 5.763 -6.850 39 HB3 GLN 17 HB1 GLN 17 -7.377 4.892 -5.408 40 HG2 GLN 17 HG2 GLN 17 -9.001 7.054 -6.783 41 HG3 GLN 17 HG1 GLN 17 -9.257 5.323 -6.994 42 HE21 GLN 17 HE21 GLN 17 -10.671 7.784 -5.456 43 HE22 GLN 17 HE22 GLN 17 -11.163 7.036 -4.013 44 H LYS 18 HN LYS 18 -4.729 7.156 -6.336 45 HA LYS 18 HA LYS 18 -3.036 5.437 -4.818 46 HB2 LYS 18 HB2 LYS 18 -2.455 7.703 -6.740 47 HB3 LYS 18 HB1 LYS 18 -1.180 6.716 -6.025 48 HG2 LYS 18 HG2 LYS 18 -2.216 4.686 -6.959 49 HG3 LYS 18 HG1 LYS 18 -3.506 5.659 -7.664 50 HD2 LYS 18 HD2 LYS 18 -1.851 6.879 -9.028 51 HD3 LYS 18 HD1 LYS 18 -0.553 5.921 -8.314 52 HE2 LYS 18 HE2 LYS 18 -1.549 3.865 -9.230 53 HE3 LYS 18 HE1 LYS 18 -2.867 4.804 -9.928 54 HZ1 LYS 18 HZ1 LYS 18 -0.120 5.583 -10.575 55 HZ2 LYS 18 HZ2 LYS 18 -1.527 5.684 -11.522 56 HZ3 LYS 18 HZ3 LYS 18 -0.743 4.191 -11.315 57 H GLU 19 HN GLU 19 -3.509 8.957 -4.710 58 HA GLU 19 HA GLU 19 -1.459 9.515 -2.788 59 HB2 GLU 19 HB2 GLU 19 -4.030 10.973 -3.481 60 HB3 GLU 19 HB1 GLU 19 -2.798 11.625 -2.399 61 HG2 GLU 19 HG2 GLU 19 -1.125 11.495 -4.188 62 HG3 GLU 19 HG1 GLU 19 -2.319 10.786 -5.274 63 H LYS 20 HN LYS 20 -4.951 8.950 -2.435 64 HA LYS 20 HA LYS 20 -5.045 9.245 0.407 65 HB2 LYS 20 HB2 LYS 20 -6.823 7.747 -1.524 66 HB3 LYS 20 HB1 LYS 20 -7.211 7.962 0.182 67 HG2 LYS 20 HG2 LYS 20 -7.017 10.441 -0.142 68 HG3 LYS 20 HG1 LYS 20 -6.804 10.158 -1.868 69 HD2 LYS 20 HD2 LYS 20 -9.195 9.141 -0.313 70 HD3 LYS 20 HD1 LYS 20 -9.186 10.694 -1.148 71 HE2 LYS 20 HE2 LYS 20 -8.479 9.371 -3.244 72 HE3 LYS 20 HE1 LYS 20 -8.951 7.929 -2.347 73 HZ1 LYS 20 HZ1 LYS 20 -10.596 9.599 -3.774 74 HZ2 LYS 20 HZ2 LYS 20 -10.937 9.935 -2.144 75 HZ3 LYS 20 HZ3 LYS 20 -11.067 8.347 -2.733 76 H VAL 21 HN VAL 21 -4.677 6.391 -1.677 77 HA VAL 21 HA VAL 21 -4.686 4.448 0.425 78 HB VAL 21 HB VAL 21 -3.505 4.408 -2.372 79 HG11 VAL 21 HG11 VAL 21 -3.630 2.276 -0.232 80 HG12 VAL 21 HG12 VAL 21 -2.242 2.776 -1.197 81 HG13 VAL 21 HG13 VAL 21 -3.550 1.861 -1.945 82 HG21 VAL 21 HG21 VAL 21 -6.053 4.534 -1.917 83 HG22 VAL 21 HG22 VAL 21 -5.891 2.894 -1.292 84 HG23 VAL 21 HG23 VAL 21 -5.485 3.240 -2.973 85 H THR 22 HN THR 22 -2.059 6.182 -1.222 86 HA THR 22 HA THR 22 0.110 4.904 0.107 87 HB THR 22 HB THR 22 -0.097 7.721 -1.020 88 HG1 THR 22 HG1 THR 22 0.400 6.811 -2.874 89 HG21 THR 22 HG21 THR 22 1.801 7.623 0.459 90 HG22 THR 22 HG22 THR 22 2.416 7.472 -1.187 91 HG23 THR 22 HG23 THR 22 2.272 6.043 -0.163 92 H LEU 23 HN LEU 23 -1.693 7.879 0.877 93 HA LEU 23 HA LEU 23 -0.198 8.558 3.196 94 HG LEU 23 HG LEU 23 -2.761 9.434 4.886 95 HB2 LEU 23 HB2 LEU 23 -1.698 10.178 2.142 96 HB3 LEU 23 HB1 LEU 23 -3.094 9.154 2.482 97 HD11 LEU 23 HD11 LEU 23 -0.959 11.254 5.504 98 HD12 LEU 23 HD12 LEU 23 -0.229 10.789 3.967 99 HD13 LEU 23 HD13 LEU 23 -0.449 9.588 5.241 100 HD21 LEU 23 HD21 LEU 23 -2.764 11.963 3.237 101 HD22 LEU 23 HD22 LEU 23 -2.990 11.982 4.985 102 HD23 LEU 23 HD23 LEU 23 -4.139 11.128 3.959 103 H TYR 24 HN TYR 24 -3.159 6.645 2.769 104 HA TYR 24 HA TYR 24 -3.670 6.143 5.526 105 HD1 TYR 24 HD1 TYR 24 -6.380 5.249 6.038 106 HD2 TYR 24 HD2 TYR 24 -4.000 2.273 4.058 107 HE1 TYR 24 HE1 TYR 24 -7.247 3.526 7.592 108 HE2 TYR 24 HE2 TYR 24 -4.868 0.550 5.611 109 HH TYR 24 HH TYR 24 -7.385 1.314 7.991 110 HB2 TYR 24 HB2 TYR 24 -5.358 5.673 3.825 111 HB3 TYR 24 HB1 TYR 24 -4.315 4.469 3.070 112 H LEU 25 HN LEU 25 -1.872 4.263 3.099 113 HA LEU 25 HA LEU 25 -1.110 2.130 4.831 114 HG LEU 25 HG LEU 25 -2.157 2.192 2.227 115 HB2 LEU 25 HB2 LEU 25 0.167 3.240 2.313 116 HB3 LEU 25 HB1 LEU 25 0.714 1.766 3.104 117 HD11 LEU 25 HD11 LEU 25 -0.514 2.258 0.301 118 HD12 LEU 25 HD12 LEU 25 -1.676 0.935 0.228 119 HD13 LEU 25 HD13 LEU 25 -0.021 0.627 0.754 120 HD21 LEU 25 HD21 LEU 25 -1.911 -0.439 2.257 121 HD22 LEU 25 HD22 LEU 25 -2.163 0.425 3.763 122 HD23 LEU 25 HD23 LEU 25 -0.545 -0.114 3.320 123 H LYS 26 HN LYS 26 0.457 5.193 4.018 124 HA LYS 26 HA LYS 26 2.937 4.762 5.310 125 HB2 LYS 26 HB2 LYS 26 2.420 6.683 3.797 126 HB3 LYS 26 HB1 LYS 26 1.424 7.386 5.074 127 HG2 LYS 26 HG2 LYS 26 3.360 7.516 6.560 128 HG3 LYS 26 HG1 LYS 26 4.370 6.720 5.354 129 HD2 LYS 26 HD2 LYS 26 3.973 8.599 3.790 130 HD3 LYS 26 HD1 LYS 26 2.991 9.402 5.015 131 HE2 LYS 26 HE2 LYS 26 5.896 8.629 5.414 132 HE3 LYS 26 HE1 LYS 26 5.358 10.236 4.929 133 HZ1 LYS 26 HZ1 LYS 26 5.053 8.871 7.499 134 HZ2 LYS 26 HZ2 LYS 26 3.819 9.932 7.012 135 HZ3 LYS 26 HZ3 LYS 26 5.413 10.496 7.174 136 H HIS 27 HN HIS 27 -0.074 6.185 6.594 137 HA HIS 27 HA HIS 27 1.023 6.616 9.230 138 HD1 HIS 27 HD1 HIS 27 0.935 8.657 9.859 139 HD2 HIS 27 HD2 HIS 27 -2.154 9.175 7.111 140 HE1 HIS 27 HE1 HIS 27 1.097 11.049 9.042 141 HB2 HIS 27 HB2 HIS 27 -1.789 6.621 8.115 142 HB3 HIS 27 HB1 HIS 27 -1.474 6.867 9.833 143 H ASN 28 HN ASN 28 -0.769 3.954 7.727 144 HA ASN 28 HA ASN 28 -1.055 2.551 10.304 145 HB2 ASN 28 HB2 ASN 28 -1.719 1.737 7.453 146 HB3 ASN 28 HB1 ASN 28 -2.012 0.720 8.865 147 HD21 ASN 28 HD21 ASN 28 -3.529 2.941 6.868 148 HD22 ASN 28 HD22 ASN 28 -4.733 3.482 7.936 149 H ILE 29 HN ILE 29 1.435 3.036 8.176 150 HA ILE 29 HA ILE 29 2.763 0.542 9.062 151 HB ILE 29 HB ILE 29 3.006 1.631 6.275 152 HG12 ILE 29 HG12 ILE 29 1.574 -0.831 7.336 153 HG13 ILE 29 HG11 ILE 29 0.779 0.626 6.741 154 HG21 ILE 29 HG21 ILE 29 4.025 -0.914 7.585 155 HG22 ILE 29 HG22 ILE 29 5.020 0.479 7.165 156 HG23 ILE 29 HG23 ILE 29 4.249 -0.466 5.894 157 HD11 ILE 29 HD11 ILE 29 2.586 -1.203 5.135 158 HD12 ILE 29 HD12 ILE 29 1.882 0.299 4.536 159 HD13 ILE 29 HD13 ILE 29 0.837 -1.056 4.965 160 HA PRO 30 HA PRO 30 5.514 4.042 10.127 161 HB2 PRO 30 HB2 PRO 30 6.932 2.705 12.052 162 HB3 PRO 30 HB1 PRO 30 5.324 3.395 12.346 163 HG2 PRO 30 HG2 PRO 30 6.097 0.568 11.790 164 HG3 PRO 30 HG1 PRO 30 4.886 1.205 12.918 165 HD2 PRO 30 HD2 PRO 30 4.283 0.150 10.467 166 HD3 PRO 30 HD1 PRO 30 3.260 1.357 11.283 167 H ASP 31 HN ASP 31 6.192 0.898 8.946 168 HA ASP 31 HA ASP 31 9.073 1.448 8.494 169 HB2 ASP 31 HB2 ASP 31 7.348 -0.990 7.917 170 HB3 ASP 31 HB1 ASP 31 9.083 -0.890 7.616 171 H PHE 32 HN PHE 32 6.364 2.461 7.087 172 HA PHE 32 HA PHE 32 6.434 1.713 4.371 173 HD1 PHE 32 HD1 PHE 32 6.391 5.527 3.322 174 HD2 PHE 32 HD2 PHE 32 3.690 2.186 3.409 175 HE1 PHE 32 HE1 PHE 32 5.748 5.985 0.971 176 HE2 PHE 32 HE2 PHE 32 3.047 2.647 1.059 177 HZ PHE 32 HZ PHE 32 4.083 4.544 -0.157 178 HB2 PHE 32 HB2 PHE 32 4.646 3.090 5.468 179 HB3 PHE 32 HB1 PHE 32 5.746 4.469 5.439 180 H ASN 33 HN ASN 33 7.699 2.199 2.711 181 HA ASN 33 HA ASN 33 9.691 4.417 2.947 182 HB2 ASN 33 HB2 ASN 33 10.720 2.172 3.497 183 HB3 ASN 33 HB1 ASN 33 10.312 1.649 1.863 184 HD21 ASN 33 HD21 ASN 33 12.442 1.546 0.987 185 HD22 ASN 33 HD22 ASN 33 13.463 2.896 0.859 186 H THR 34 HN THR 34 8.316 1.946 0.744 187 HA THR 34 HA THR 34 7.783 4.065 -1.252 188 HB THR 34 HB THR 34 10.009 3.367 -1.881 189 HG1 THR 34 HG1 THR 34 8.027 2.095 -3.457 190 HG21 THR 34 HG21 THR 34 10.585 1.029 -2.289 191 HG22 THR 34 HG22 THR 34 8.947 0.527 -1.868 192 HG23 THR 34 HG23 THR 34 10.004 1.216 -0.635 193 H VAL 35 HN VAL 35 6.323 3.389 -2.904 194 HA VAL 35 HA VAL 35 4.929 0.790 -2.477 195 HB VAL 35 HB VAL 35 3.652 2.404 -1.177 196 HG11 VAL 35 HG11 VAL 35 3.351 4.039 -3.707 197 HG12 VAL 35 HG12 VAL 35 4.528 4.419 -2.450 198 HG13 VAL 35 HG13 VAL 35 2.802 4.459 -2.086 199 HG21 VAL 35 HG21 VAL 35 2.171 2.075 -3.790 200 HG22 VAL 35 HG22 VAL 35 1.521 2.037 -2.151 201 HG23 VAL 35 HG23 VAL 35 2.512 0.702 -2.736 202 H THR 36 HN THR 36 4.146 -0.099 -4.325 203 HA THR 36 HA THR 36 4.381 1.485 -6.862 204 HB THR 36 HB THR 36 5.109 -1.428 -6.439 205 HG1 THR 36 HG1 THR 36 6.793 -0.300 -5.716 206 HG21 THR 36 HG21 THR 36 4.230 -1.184 -8.644 207 HG22 THR 36 HG22 THR 36 5.982 -1.103 -8.822 208 HG23 THR 36 HG23 THR 36 5.024 0.375 -8.863 209 H PHE 37 HN PHE 37 2.472 1.702 -7.742 210 HA PHE 37 HA PHE 37 0.287 -0.215 -7.156 211 HD1 PHE 37 HD2 PHE 37 -1.654 1.053 -5.702 212 HD2 PHE 37 HD1 PHE 37 1.347 3.845 -6.983 213 HE1 PHE 37 HE2 PHE 37 -1.642 2.073 -3.444 214 HE2 PHE 37 HE1 PHE 37 1.360 4.866 -4.722 215 HZ PHE 37 HZ PHE 37 -0.135 3.978 -2.952 216 HB2 PHE 37 HB2 PHE 37 0.228 2.461 -8.583 217 HB3 PHE 37 HB1 PHE 37 -1.177 1.495 -8.130 218 H THR 38 HN THR 38 -0.282 -1.708 -8.582 219 HA THR 38 HA THR 38 0.868 -1.624 -11.323 220 HB THR 38 HB THR 38 0.359 -3.986 -11.413 221 HG1 THR 38 HG1 THR 38 -1.052 -3.461 -9.015 222 HG21 THR 38 HG21 THR 38 2.382 -3.355 -10.169 223 HG22 THR 38 HG22 THR 38 1.651 -4.802 -9.476 224 HG23 THR 38 HG23 THR 38 1.440 -3.243 -8.682 225 H ASN 39 HN ASN 39 -2.056 -1.129 -9.602 226 HA ASN 39 HA ASN 39 -4.223 -0.593 -10.297 227 HB2 ASN 39 HB2 ASN 39 -2.970 -0.205 -13.028 228 HB3 ASN 39 HB1 ASN 39 -4.458 0.518 -12.426 229 HD21 ASN 39 HD21 ASN 39 -3.225 0.995 -9.701 230 HD22 ASN 39 HD22 ASN 39 -2.191 2.325 -9.913 231 H GLU 40 HN GLU 40 -3.321 -3.337 -10.382 232 HA GLU 40 HA GLU 40 -4.649 -4.499 -12.760 233 HB2 GLU 40 HB2 GLU 40 -3.130 -5.741 -10.445 234 HB3 GLU 40 HB1 GLU 40 -3.879 -6.670 -11.744 235 HG2 GLU 40 HG2 GLU 40 -2.503 -5.522 -13.408 236 HG3 GLU 40 HG1 GLU 40 -1.797 -4.505 -12.153 237 H GLU 41 HN GLU 41 -5.923 -6.596 -12.088 238 HA GLU 41 HA GLU 41 -7.917 -7.454 -11.264 239 HB2 GLU 41 HB2 GLU 41 -6.586 -7.529 -9.163 240 HB3 GLU 41 HB1 GLU 41 -7.179 -5.917 -8.762 241 HG2 GLU 41 HG2 GLU 41 -9.490 -6.729 -8.778 242 HG3 GLU 41 HG1 GLU 41 -8.941 -8.336 -9.255 243 H PHE 42 HN PHE 42 -10.097 -6.916 -10.964 244 HA PHE 42 HA PHE 42 -10.891 -4.109 -10.640 245 HD1 PHE 42 HD1 PHE 42 -13.979 -4.650 -12.713 246 HD2 PHE 42 HD2 PHE 42 -10.552 -2.068 -12.923 247 HE1 PHE 42 HE1 PHE 42 -15.474 -2.683 -12.936 248 HE2 PHE 42 HE2 PHE 42 -12.044 -0.104 -13.152 249 HZ PHE 42 HZ PHE 42 -14.507 -0.409 -13.154 250 HB2 PHE 42 HB2 PHE 42 -10.293 -4.450 -13.104 251 HB3 PHE 42 HB1 PHE 42 -11.690 -5.524 -13.189 252 H ASN 43 HN ASN 43 -12.478 -4.299 -9.234 253 HA ASN 43 HA ASN 43 -14.165 -6.701 -9.159 254 HB2 ASN 43 HB2 ASN 43 -14.259 -4.295 -7.318 255 HB3 ASN 43 HB1 ASN 43 -14.912 -5.901 -7.007 256 HD21 ASN 43 HD21 ASN 43 -12.226 -6.815 -8.496 257 HD22 ASN 43 HD22 ASN 43 -11.109 -6.817 -7.217 258 HA PRO 44 HA PRO 44 -17.513 -4.709 -11.312 259 HB2 PRO 44 HB2 PRO 44 -19.654 -6.095 -10.222 260 HB3 PRO 44 HB1 PRO 44 -18.585 -6.747 -11.478 261 HG2 PRO 44 HG2 PRO 44 -18.595 -7.268 -8.544 262 HG3 PRO 44 HG1 PRO 44 -18.243 -8.368 -9.888 263 HD2 PRO 44 HD2 PRO 44 -16.289 -7.232 -8.332 264 HD3 PRO 44 HD1 PRO 44 -16.036 -7.720 -10.022 265 H ILE 45 HN ILE 45 -17.376 -4.774 -7.840 266 HA ILE 45 HA ILE 45 -19.650 -3.026 -7.389 267 HB ILE 45 HB ILE 45 -18.758 -4.640 -5.678 268 HG12 ILE 45 HG12 ILE 45 -18.598 -1.801 -4.647 269 HG13 ILE 45 HG11 ILE 45 -20.124 -2.502 -5.182 270 HG21 ILE 45 HG21 ILE 45 -16.730 -4.161 -4.489 271 HG22 ILE 45 HG22 ILE 45 -16.560 -2.594 -5.280 272 HG23 ILE 45 HG23 ILE 45 -16.325 -4.077 -6.205 273 HD11 ILE 45 HD11 ILE 45 -19.982 -4.251 -3.534 274 HD12 ILE 45 HD12 ILE 45 -19.686 -2.721 -2.708 275 HD13 ILE 45 HD13 ILE 45 -18.336 -3.785 -3.103 276 H GLY 46 HN GLY 46 -16.645 -2.465 -8.711 277 HA2 GLY 46 HA2 GLY 46 -16.868 0.260 -9.058 278 HA3 GLY 46 HA1 GLY 46 -16.085 0.119 -7.486 279 H ILE 47 HN ILE 47 -13.963 0.356 -7.649 280 HA ILE 47 HA ILE 47 -12.508 -0.932 -9.928 281 HB ILE 47 HB ILE 47 -10.978 1.008 -9.951 282 HG12 ILE 47 HG12 ILE 47 -12.984 2.283 -8.056 283 HG13 ILE 47 HG11 ILE 47 -11.379 1.730 -7.586 284 HG21 ILE 47 HG21 ILE 47 -13.145 0.818 -11.342 285 HG22 ILE 47 HG22 ILE 47 -12.396 2.408 -11.225 286 HG23 ILE 47 HG23 ILE 47 -13.808 2.023 -10.239 287 HD11 ILE 47 HD11 ILE 47 -10.418 3.265 -9.341 288 HD12 ILE 47 HD12 ILE 47 -11.230 4.099 -8.016 289 HD13 ILE 47 HD13 ILE 47 -12.039 3.917 -9.572 290 H SER 48 HN SER 48 -10.646 -1.949 -9.419 291 HA SER 48 HA SER 48 -9.863 -2.016 -6.523 292 HG SER 48 HG SER 48 -9.239 -4.617 -5.918 293 HB2 SER 48 HB2 SER 48 -10.790 -4.148 -7.281 294 HB3 SER 48 HB1 SER 48 -9.668 -4.183 -8.637 295 H ILE 49 HN ILE 49 -7.864 -1.423 -6.050 296 HA ILE 49 HA ILE 49 -5.865 -1.124 -8.268 297 HB ILE 49 HB ILE 49 -6.155 0.447 -5.687 298 HG12 ILE 49 HG12 ILE 49 -6.393 1.365 -8.566 299 HG13 ILE 49 HG11 ILE 49 -7.784 0.918 -7.577 300 HG21 ILE 49 HG21 ILE 49 -4.322 1.841 -6.822 301 HG22 ILE 49 HG22 ILE 49 -4.082 0.460 -7.891 302 HG23 ILE 49 HG23 ILE 49 -3.821 0.287 -6.156 303 HD11 ILE 49 HD11 ILE 49 -7.502 3.321 -7.436 304 HD12 ILE 49 HD12 ILE 49 -5.798 3.138 -7.021 305 HD13 ILE 49 HD13 ILE 49 -7.042 2.620 -5.884 306 H ASP 50 HN ASP 50 -4.136 -2.356 -8.125 307 HA ASP 50 HA ASP 50 -3.486 -3.686 -5.517 308 HB2 ASP 50 HB2 ASP 50 -3.134 -4.610 -8.380 309 HB3 ASP 50 HB1 ASP 50 -2.361 -5.403 -7.006 310 H GLY 51 HN GLY 51 -1.352 -3.838 -4.909 311 HA2 GLY 51 HA2 GLY 51 0.877 -2.894 -6.449 312 HA3 GLY 51 HA1 GLY 51 0.333 -1.633 -5.347 313 H TYR 52 HN TYR 52 2.739 -2.324 -4.777 314 HA TYR 52 HA TYR 52 2.512 -3.966 -2.319 315 HD1 TYR 52 HD2 TYR 52 2.912 -4.853 -6.134 316 HD2 TYR 52 HD1 TYR 52 6.535 -3.829 -4.062 317 HE1 TYR 52 HE2 TYR 52 3.981 -4.268 -8.293 318 HE2 TYR 52 HE1 TYR 52 7.602 -3.247 -6.227 319 HH TYR 52 HH TYR 52 5.763 -3.284 -9.256 320 HB2 TYR 52 HB2 TYR 52 4.765 -5.013 -2.925 321 HB3 TYR 52 HB1 TYR 52 3.359 -5.612 -3.795 322 H ILE 53 HN ILE 53 4.445 -3.745 -0.945 323 HA ILE 53 HA ILE 53 5.650 -1.005 -1.192 324 HB ILE 53 HB ILE 53 5.630 -0.931 1.272 325 HG12 ILE 53 HG12 ILE 53 4.028 -3.508 1.098 326 HG13 ILE 53 HG11 ILE 53 5.706 -3.421 1.624 327 HG21 ILE 53 HG21 ILE 53 3.702 -0.108 -0.154 328 HG22 ILE 53 HG22 ILE 53 3.285 -0.487 1.517 329 HG23 ILE 53 HG23 ILE 53 2.874 -1.618 0.225 330 HD11 ILE 53 HD11 ILE 53 4.951 -1.751 3.387 331 HD12 ILE 53 HD12 ILE 53 4.387 -3.406 3.618 332 HD13 ILE 53 HD13 ILE 53 3.295 -2.185 2.965 333 H ASN 54 HN ASN 54 7.690 -0.750 -0.097 334 HA ASN 54 HA ASN 54 9.931 -1.321 0.190 335 HB2 ASN 54 HB2 ASN 54 8.538 -3.781 1.249 336 HB3 ASN 54 HB1 ASN 54 10.292 -3.625 1.265 337 HD21 ASN 54 HD21 ASN 54 7.283 -2.229 2.574 338 HD22 ASN 54 HD22 ASN 54 8.031 -1.379 3.838 339 H ASN 55 HN ASN 55 8.696 -1.743 -2.377 340 HA ASN 55 HA ASN 55 9.013 -2.839 -4.419 341 HB2 ASN 55 HB2 ASN 55 11.769 -2.768 -3.182 342 HB3 ASN 55 HB1 ASN 55 11.486 -3.304 -4.840 343 HD21 ASN 55 HD21 ASN 55 13.016 -0.948 -4.313 344 HD22 ASN 55 HD22 ASN 55 12.141 0.399 -4.865 345 H ASP 56 HN ASP 56 8.218 -4.549 -2.146 346 HA ASP 56 HA ASP 56 9.484 -7.145 -2.951 347 HB2 ASP 56 HB2 ASP 56 9.515 -6.379 -0.501 348 HB3 ASP 56 HB1 ASP 56 7.778 -6.677 -0.503 349 H LYS 57 HN LYS 57 8.322 -8.129 -4.445 350 HA LYS 57 HA LYS 57 5.634 -7.627 -5.150 351 HB2 LYS 57 HB2 LYS 57 7.354 -10.094 -5.556 352 HB3 LYS 57 HB1 LYS 57 5.775 -9.868 -6.308 353 HG2 LYS 57 HG2 LYS 57 6.584 -7.793 -7.383 354 HG3 LYS 57 HG1 LYS 57 8.169 -8.035 -6.647 355 HD2 LYS 57 HD2 LYS 57 8.418 -10.170 -7.842 356 HD3 LYS 57 HD1 LYS 57 6.819 -9.968 -8.558 357 HE2 LYS 57 HE2 LYS 57 7.582 -7.890 -9.663 358 HE3 LYS 57 HE1 LYS 57 9.186 -8.113 -8.963 359 HZ1 LYS 57 HZ1 LYS 57 9.345 -10.236 -10.123 360 HZ2 LYS 57 HZ2 LYS 57 9.109 -8.955 -11.214 361 HZ3 LYS 57 HZ3 LYS 57 7.818 -9.987 -10.818 362 H ASN 58 HN ASN 58 7.015 -9.884 -2.816 363 HA ASN 58 HA ASN 58 4.689 -11.470 -2.350 364 HB2 ASN 58 HB2 ASN 58 7.077 -10.777 -0.619 365 HB3 ASN 58 HB1 ASN 58 5.793 -11.846 -0.058 366 HD21 ASN 58 HD21 ASN 58 8.446 -12.823 -0.393 367 HD22 ASN 58 HD22 ASN 58 8.463 -13.925 -1.685 368 H LEU 59 HN LEU 59 5.812 -8.418 -0.956 369 HA LEU 59 HA LEU 59 3.566 -8.266 0.928 370 HG LEU 59 HG LEU 59 6.688 -8.176 1.029 371 HB2 LEU 59 HB2 LEU 59 5.592 -6.140 0.148 372 HB3 LEU 59 HB1 LEU 59 4.533 -6.110 1.555 373 HD11 LEU 59 HD11 LEU 59 6.605 -6.106 3.231 374 HD12 LEU 59 HD12 LEU 59 7.393 -5.791 1.684 375 HD13 LEU 59 HD13 LEU 59 7.971 -7.097 2.720 376 HD21 LEU 59 HD21 LEU 59 5.063 -9.300 2.305 377 HD22 LEU 59 HD22 LEU 59 4.599 -7.839 3.179 378 HD23 LEU 59 HD23 LEU 59 6.125 -8.641 3.546 379 H SER 60 HN SER 60 1.960 -8.519 -0.831 380 HA SER 60 HA SER 60 1.523 -6.046 -2.439 381 HG SER 60 HG SER 60 2.227 -7.201 -4.008 382 HB2 SER 60 HB2 SER 60 0.446 -8.857 -2.666 383 HB3 SER 60 HB1 SER 60 -0.231 -7.506 -3.575 384 H PHE 61 HN PHE 61 -0.641 -5.217 -2.600 385 HA PHE 61 HA PHE 61 -2.533 -5.857 -0.422 386 HD1 PHE 61 HD1 PHE 61 -3.236 -1.925 -1.432 387 HD2 PHE 61 HD2 PHE 61 0.801 -3.275 -0.844 388 HE1 PHE 61 HE1 PHE 61 -2.406 -0.054 -2.832 389 HE2 PHE 61 HE2 PHE 61 1.629 -1.405 -2.246 390 HZ PHE 61 HZ PHE 61 0.027 0.206 -3.240 391 HB2 PHE 61 HB2 PHE 61 -2.666 -3.540 0.341 392 HB3 PHE 61 HB1 PHE 61 -1.020 -4.133 0.524 393 H THR 62 HN THR 62 -4.635 -4.980 -0.794 394 HA THR 62 HA THR 62 -5.110 -3.859 -3.524 395 HB THR 62 HB THR 62 -6.630 -6.156 -2.254 396 HG1 THR 62 HG1 THR 62 -4.646 -6.776 -3.125 397 HG21 THR 62 HG21 THR 62 -7.024 -4.527 -4.765 398 HG22 THR 62 HG22 THR 62 -8.202 -4.906 -3.507 399 HG23 THR 62 HG23 THR 62 -7.661 -6.164 -4.618 400 H ALA 63 HN ALA 63 -6.529 -2.252 -3.580 401 HA ALA 63 HA ALA 63 -8.352 -1.805 -1.247 402 HB1 ALA 63 HB1 ALA 63 -7.848 0.505 -1.195 403 HB2 ALA 63 HB2 ALA 63 -7.002 0.445 -2.743 404 HB3 ALA 63 HB3 ALA 63 -6.277 -0.285 -1.310 405 H GLY 64 HN GLY 64 -10.381 -1.233 -1.778 406 HA2 GLY 64 HA2 GLY 64 -11.069 -1.074 -4.677 407 HA3 GLY 64 HA1 GLY 64 -12.153 -1.631 -3.409 408 H LYS 65 HN LYS 65 -12.000 0.672 -5.480 409 HA LYS 65 HA LYS 65 -12.490 2.954 -5.611 410 HB2 LYS 65 HB2 LYS 65 -14.645 1.565 -5.027 411 HB3 LYS 65 HB1 LYS 65 -14.550 2.396 -3.478 412 HG2 LYS 65 HG2 LYS 65 -14.608 4.572 -4.597 413 HG3 LYS 65 HG1 LYS 65 -14.568 3.793 -6.176 414 HD2 LYS 65 HD2 LYS 65 -16.720 2.698 -5.705 415 HD3 LYS 65 HD1 LYS 65 -16.772 3.474 -4.122 416 HE2 LYS 65 HE2 LYS 65 -16.774 5.692 -5.201 417 HE3 LYS 65 HE1 LYS 65 -16.703 4.926 -6.787 418 HZ1 LYS 65 HZ1 LYS 65 -18.803 3.746 -5.408 419 HZ2 LYS 65 HZ2 LYS 65 -18.898 4.790 -6.744 420 HZ3 LYS 65 HZ3 LYS 65 -18.957 5.418 -5.166 421 H ASP 66 HN ASP 66 -13.943 4.039 -3.043 422 HA ASP 66 HA ASP 66 -11.640 5.498 -2.074 423 HB2 ASP 66 HB2 ASP 66 -14.542 5.380 -1.198 424 HB3 ASP 66 HB1 ASP 66 -13.346 6.405 -0.405 425 H VAL 67 HN VAL 67 -10.707 3.171 -1.613 426 HA VAL 67 HA VAL 67 -10.067 1.534 -0.074 427 HB VAL 67 HB VAL 67 -10.447 3.622 2.072 428 HG11 VAL 67 HG11 VAL 67 -8.200 1.705 1.375 429 HG12 VAL 67 HG12 VAL 67 -9.443 1.409 2.589 430 HG13 VAL 67 HG13 VAL 67 -8.285 2.719 2.815 431 HG21 VAL 67 HG21 VAL 67 -9.633 4.903 0.153 432 HG22 VAL 67 HG22 VAL 67 -8.399 3.687 -0.174 433 HG23 VAL 67 HG23 VAL 67 -8.306 4.665 1.291 434 H LYS 68 HN LYS 68 -12.993 1.951 -0.543 435 HA LYS 68 HA LYS 68 -14.465 1.562 1.882 436 HB2 LYS 68 HB2 LYS 68 -15.038 0.738 -0.984 437 HB3 LYS 68 HB1 LYS 68 -16.205 0.592 0.330 438 HG2 LYS 68 HG2 LYS 68 -16.134 2.999 0.719 439 HG3 LYS 68 HG1 LYS 68 -14.872 3.186 -0.490 440 HD2 LYS 68 HD2 LYS 68 -16.845 3.766 -1.660 441 HD3 LYS 68 HD1 LYS 68 -16.547 2.098 -2.142 442 HE2 LYS 68 HE2 LYS 68 -18.206 1.267 -0.622 443 HE3 LYS 68 HE1 LYS 68 -18.355 2.831 0.176 444 HZ1 LYS 68 HZ1 LYS 68 -18.826 3.330 -2.475 445 HZ2 LYS 68 HZ2 LYS 68 -19.981 3.259 -1.232 446 HZ3 LYS 68 HZ3 LYS 68 -19.647 1.879 -2.166 447 H ILE 69 HN ILE 69 -13.011 -0.678 -0.450 448 HA ILE 69 HA ILE 69 -13.219 -2.857 1.597 449 HB ILE 69 HB ILE 69 -13.615 -3.111 -1.405 450 HG12 ILE 69 HG12 ILE 69 -15.530 -3.712 0.869 451 HG13 ILE 69 HG11 ILE 69 -15.533 -2.186 -0.016 452 HG21 ILE 69 HG21 ILE 69 -12.435 -5.052 -0.606 453 HG22 ILE 69 HG22 ILE 69 -14.131 -5.513 -0.751 454 HG23 ILE 69 HG23 ILE 69 -13.451 -5.147 0.834 455 HD11 ILE 69 HD11 ILE 69 -17.191 -3.663 -1.008 456 HD12 ILE 69 HD12 ILE 69 -15.996 -4.949 -1.177 457 HD13 ILE 69 HD13 ILE 69 -15.851 -3.477 -2.140 458 H PHE 70 HN PHE 70 -11.303 -3.690 2.085 459 HA PHE 70 HA PHE 70 -9.102 -3.633 0.084 460 HD1 PHE 70 HD1 PHE 70 -7.956 -4.147 4.069 461 HD2 PHE 70 HD2 PHE 70 -10.397 -0.829 2.846 462 HE1 PHE 70 HE1 PHE 70 -8.835 -3.941 6.379 463 HE2 PHE 70 HE2 PHE 70 -11.277 -0.626 5.159 464 HZ PHE 70 HZ PHE 70 -10.495 -2.182 6.924 465 HB2 PHE 70 HB2 PHE 70 -7.545 -2.917 1.934 466 HB3 PHE 70 HB1 PHE 70 -8.671 -1.670 1.396 467 H SER 71 HN SER 71 -7.473 -5.153 0.451 468 HA SER 71 HA SER 71 -7.925 -7.193 2.564 469 HG SER 71 HG SER 71 -6.726 -9.461 0.792 470 HB2 SER 71 HB2 SER 71 -9.097 -7.981 0.523 471 HB3 SER 71 HB1 SER 71 -7.593 -7.837 -0.384 472 H SER 72 HN SER 72 -6.060 -8.407 3.048 473 HA SER 72 HA SER 72 -3.504 -7.529 1.785 474 HG SER 72 HG SER 72 -4.431 -8.569 4.967 475 HB2 SER 72 HB2 SER 72 -2.512 -7.394 4.097 476 HB3 SER 72 HB1 SER 72 -3.686 -6.132 3.740 477 H SER 73 HN SER 73 -1.796 -8.992 2.055 478 HA SER 73 HA SER 73 -2.627 -11.790 2.196 479 HG SER 73 HG SER 73 1.091 -10.488 1.211 480 HB2 SER 73 HB2 SER 73 -0.359 -12.270 1.445 481 HB3 SER 73 HB1 SER 73 -1.020 -10.954 0.480 482 H GLU 74 HN GLU 74 -1.187 -13.327 3.388 483 HA GLU 74 HA GLU 74 -1.263 -12.784 6.196 484 HB2 GLU 74 HB2 GLU 74 0.164 -14.975 4.635 485 HB3 GLU 74 HB1 GLU 74 -0.029 -14.956 6.387 486 HG2 GLU 74 HG2 GLU 74 -1.860 -16.258 5.743 487 HG3 GLU 74 HG1 GLU 74 -2.594 -14.661 5.836 488 H GLU 75 HN GLU 75 1.212 -12.469 3.744 489 HA GLU 75 HA GLU 75 3.427 -12.178 5.591 490 HB2 GLU 75 HB2 GLU 75 3.124 -11.339 2.684 491 HB3 GLU 75 HB1 GLU 75 4.636 -11.292 3.587 492 HG2 GLU 75 HG2 GLU 75 2.982 -13.791 3.130 493 HG3 GLU 75 HG1 GLU 75 4.418 -13.356 2.206 494 H LEU 76 HN LEU 76 1.529 -9.855 3.650 495 HA LEU 76 HA LEU 76 2.797 -7.517 4.705 496 HG LEU 76 HG LEU 76 0.294 -5.697 4.692 497 HB2 LEU 76 HB2 LEU 76 1.506 -7.530 2.594 498 HB3 LEU 76 HB1 LEU 76 0.026 -7.850 3.496 499 HD11 LEU 76 HD11 LEU 76 2.833 -5.616 3.068 500 HD12 LEU 76 HD12 LEU 76 2.593 -5.234 4.770 501 HD13 LEU 76 HD13 LEU 76 2.044 -4.111 3.536 502 HD21 LEU 76 HD21 LEU 76 -1.051 -5.665 2.694 503 HD22 LEU 76 HD22 LEU 76 0.384 -5.608 1.669 504 HD23 LEU 76 HD23 LEU 76 -0.040 -4.218 2.669 505 H ASP 77 HN ASP 77 0.409 -9.645 5.942 506 HA ASP 77 HA ASP 77 -1.005 -7.899 7.700 507 HB2 ASP 77 HB2 ASP 77 -0.510 -10.867 7.589 508 HB3 ASP 77 HB1 ASP 77 -1.275 -10.191 9.019 509 H LYS 78 HN LYS 78 2.068 -9.595 8.017 510 HA LYS 78 HA LYS 78 2.379 -9.274 10.842 511 HB2 LYS 78 HB2 LYS 78 4.619 -9.945 10.516 512 HB3 LYS 78 HB1 LYS 78 3.772 -10.705 9.171 513 HG2 LYS 78 HG2 LYS 78 4.398 -8.654 7.793 514 HG3 LYS 78 HG1 LYS 78 5.455 -8.184 9.111 515 HD2 LYS 78 HD2 LYS 78 6.680 -10.293 8.916 516 HD3 LYS 78 HD1 LYS 78 5.610 -10.807 7.612 517 HE2 LYS 78 HE2 LYS 78 7.687 -9.893 6.676 518 HE3 LYS 78 HE1 LYS 78 6.329 -8.845 6.269 519 HZ1 LYS 78 HZ1 LYS 78 8.248 -7.590 7.063 520 HZ2 LYS 78 HZ2 LYS 78 8.198 -8.428 8.540 521 HZ3 LYS 78 HZ3 LYS 78 6.918 -7.402 8.098 522 H MET 79 HN MET 79 3.369 -7.236 8.108 523 HA MET 79 HA MET 79 4.687 -5.232 9.690 524 HB2 MET 79 HB2 MET 79 3.472 -5.147 6.912 525 HB3 MET 79 HB1 MET 79 4.405 -3.826 7.608 526 HG2 MET 79 HG2 MET 79 5.453 -6.651 7.320 527 HG3 MET 79 HG1 MET 79 5.763 -5.370 6.152 528 HE1 MET 79 HE1 MET 79 6.690 -2.999 6.894 529 HE2 MET 79 HE2 MET 79 7.839 -4.127 6.179 530 HE3 MET 79 HE3 MET 79 8.321 -3.153 7.565 531 H PHE 80 HN PHE 80 1.417 -5.665 8.466 532 HA PHE 80 HA PHE 80 0.377 -3.113 9.257 533 HD1 PHE 80 HD2 PHE 80 -2.062 -2.317 8.096 534 HD2 PHE 80 HD1 PHE 80 -2.670 -5.876 10.424 535 HE1 PHE 80 HE2 PHE 80 -4.180 -1.377 8.982 536 HE2 PHE 80 HE1 PHE 80 -4.789 -4.935 11.308 537 HZ PHE 80 HZ PHE 80 -5.541 -2.685 10.589 538 HB2 PHE 80 HB2 PHE 80 -0.822 -4.453 7.635 539 HB3 PHE 80 HB1 PHE 80 -0.950 -5.802 8.763 540 H GLN 81 HN GLN 81 0.001 -2.391 11.250 541 HA GLN 81 HA GLN 81 -0.724 -4.298 13.419 542 HB2 GLN 81 HB2 GLN 81 1.580 -2.329 13.494 543 HB3 GLN 81 HB1 GLN 81 0.888 -3.073 14.937 544 HG2 GLN 81 HG2 GLN 81 1.376 -5.309 14.039 545 HG3 GLN 81 HG1 GLN 81 2.047 -4.585 12.578 546 HE21 GLN 81 HE21 GLN 81 3.946 -6.026 13.614 547 HE22 GLN 81 HE22 GLN 81 5.022 -5.163 14.606 548 H GLU 82 HN GLU 82 -1.370 -1.516 11.740 549 HA GLU 82 HA GLU 82 -2.514 -0.074 14.046 550 HB2 GLU 82 HB2 GLU 82 -1.070 1.087 12.318 551 HB3 GLU 82 HB1 GLU 82 -2.434 0.902 11.212 552 HG2 GLU 82 HG2 GLU 82 -2.745 3.040 12.194 553 HG3 GLU 82 HG1 GLU 82 -3.855 1.982 13.059 554 HA PRO 83 HA PRO 83 -6.355 -2.243 12.931 555 HB2 PRO 83 HB2 PRO 83 -7.473 -0.026 14.613 556 HB3 PRO 83 HB1 PRO 83 -7.785 -1.772 14.703 557 HG2 PRO 83 HG2 PRO 83 -6.191 -0.523 16.462 558 HG3 PRO 83 HG1 PRO 83 -5.882 -2.183 15.925 559 HD2 PRO 83 HD2 PRO 83 -4.435 0.318 15.225 560 HD3 PRO 83 HD1 PRO 83 -3.852 -1.368 15.267 561 H ARG 84 HN ARG 84 -8.072 -1.843 11.552 562 HA ARG 84 HA ARG 84 -7.759 0.294 9.662 563 HE ARG 84 HE ARG 84 -8.738 -0.915 7.065 564 HB2 ARG 84 HB2 ARG 84 -10.246 -1.398 10.014 565 HB3 ARG 84 HB1 ARG 84 -9.643 -0.654 8.538 566 HG2 ARG 84 HG2 ARG 84 -8.196 -2.843 10.066 567 HG3 ARG 84 HG1 ARG 84 -9.185 -3.111 8.637 568 HD2 ARG 84 HD2 ARG 84 -6.642 -1.472 8.805 569 HD3 ARG 84 HD1 ARG 84 -6.882 -2.969 7.919 570 HH11 ARG 84 HH21 ARG 84 -5.507 -2.131 6.806 571 HH12 ARG 84 HH22 ARG 84 -5.248 -1.442 5.238 572 HH21 ARG 84 HH11 ARG 84 -8.407 -0.030 5.035 573 HH22 ARG 84 HH12 ARG 84 -6.888 -0.259 4.236 574 H LYS 85 HN LYS 85 -8.918 2.125 9.354 575 HA LYS 85 HA LYS 85 -11.031 2.842 11.332 576 HB2 LYS 85 HB2 LYS 85 -8.548 4.481 10.702 577 HB3 LYS 85 HB1 LYS 85 -9.960 5.109 11.555 578 HG2 LYS 85 HG2 LYS 85 -9.696 3.367 13.283 579 HG3 LYS 85 HG1 LYS 85 -8.276 2.748 12.442 580 HD2 LYS 85 HD2 LYS 85 -7.118 4.882 12.768 581 HD3 LYS 85 HD1 LYS 85 -8.549 5.559 13.544 582 HE2 LYS 85 HE2 LYS 85 -6.965 4.830 15.259 583 HE3 LYS 85 HE1 LYS 85 -8.395 3.801 15.301 584 HZ1 LYS 85 HZ1 LYS 85 -7.220 2.024 14.693 585 HZ2 LYS 85 HZ2 LYS 85 -5.845 2.925 15.122 586 HZ3 LYS 85 HZ3 LYS 85 -6.355 2.869 13.503 587 H GLY 86 HN GLY 86 -9.252 4.745 8.901 588 HA2 GLY 86 HA2 GLY 86 -10.802 4.577 6.654 589 HA3 GLY 86 HA1 GLY 86 -11.774 5.612 7.692 590 H TYR 87 HN TYR 87 -10.718 6.456 5.255 591 HA TYR 87 HA TYR 87 -8.245 7.860 5.392 592 HD1 TYR 87 HD1 TYR 87 -6.997 8.316 3.332 593 HD2 TYR 87 HD2 TYR 87 -10.518 10.766 3.106 594 HE1 TYR 87 HE1 TYR 87 -5.640 10.185 2.436 595 HE2 TYR 87 HE2 TYR 87 -9.160 12.632 2.205 596 HH TYR 87 HH TYR 87 -6.490 12.460 0.812 597 HB2 TYR 87 HB2 TYR 87 -9.457 7.379 3.274 598 HB3 TYR 87 HB1 TYR 87 -10.718 8.518 3.750 599 H ASP 88 HN ASP 88 -11.586 8.907 6.034 600 HA ASP 88 HA ASP 88 -10.931 11.631 6.652 601 HB2 ASP 88 HB2 ASP 88 -13.216 10.941 6.065 602 HB3 ASP 88 HB1 ASP 88 -13.311 9.950 7.521 603 H GLU 89 HN GLU 89 -11.086 8.695 8.619 604 HA GLU 89 HA GLU 89 -10.973 9.977 11.173 605 HB2 GLU 89 HB2 GLU 89 -10.197 7.211 10.212 606 HB3 GLU 89 HB1 GLU 89 -9.997 7.695 11.897 607 HG2 GLU 89 HG2 GLU 89 -12.132 6.696 11.862 608 HG3 GLU 89 HG1 GLU 89 -12.487 8.414 11.786 609 H ILE 90 HN ILE 90 -8.381 8.714 9.082 610 HA ILE 90 HA ILE 90 -6.255 9.313 10.905 611 HB ILE 90 HB ILE 90 -4.800 9.135 8.851 612 HG12 ILE 90 HG12 ILE 90 -7.414 8.526 7.462 613 HG13 ILE 90 HG11 ILE 90 -6.545 10.041 7.267 614 HG21 ILE 90 HG21 ILE 90 -6.885 6.993 9.339 615 HG22 ILE 90 HG22 ILE 90 -5.343 7.167 10.177 616 HG23 ILE 90 HG23 ILE 90 -5.373 6.737 8.467 617 HD11 ILE 90 HD11 ILE 90 -5.449 7.295 6.622 618 HD12 ILE 90 HD12 ILE 90 -4.582 8.816 6.427 619 HD13 ILE 90 HD13 ILE 90 -6.004 8.481 5.442 620 H LEU 91 HN LEU 91 -7.764 11.182 8.297 621 HA LEU 91 HA LEU 91 -5.891 13.337 8.317 622 HG LEU 91 HG LEU 91 -6.902 12.139 6.049 623 HB2 LEU 91 HB2 LEU 91 -8.774 13.072 7.452 624 HB3 LEU 91 HB1 LEU 91 -7.977 14.640 7.404 625 HD11 LEU 91 HD11 LEU 91 -8.877 12.675 4.853 626 HD12 LEU 91 HD12 LEU 91 -7.598 13.493 3.955 627 HD13 LEU 91 HD13 LEU 91 -8.629 14.409 5.050 628 HD21 LEU 91 HD21 LEU 91 -5.963 14.979 6.326 629 HD22 LEU 91 HD22 LEU 91 -5.726 14.204 4.762 630 HD23 LEU 91 HD23 LEU 91 -5.027 13.491 6.208 631 H GLU 92 HN GLU 92 -8.851 12.766 10.173 632 HA GLU 92 HA GLU 92 -8.887 15.317 11.501 633 HB2 GLU 92 HB2 GLU 92 -10.078 12.621 12.223 634 HB3 GLU 92 HB1 GLU 92 -10.377 14.092 13.151 635 HG2 GLU 92 HG2 GLU 92 -11.313 15.188 11.169 636 HG3 GLU 92 HG1 GLU 92 -10.952 13.769 10.189 637 H HIS 93 HN HIS 93 -7.410 12.196 12.250 638 HA HIS 93 HA HIS 93 -6.539 12.891 14.909 639 HD1 HIS 93 HD1 HIS 93 -5.930 11.068 16.758 640 HD2 HIS 93 HD2 HIS 93 -2.941 10.306 13.954 641 HE1 HIS 93 HE1 HIS 93 -3.845 10.490 18.074 642 HB2 HIS 93 HB2 HIS 93 -6.757 10.554 14.195 643 HB3 HIS 93 HB1 HIS 93 -5.500 10.787 12.980 644 H HIS 94 HN HIS 94 -5.565 14.929 14.676 645 HA HIS 94 HA HIS 94 -3.916 16.497 14.063 646 HD1 HIS 94 HD1 HIS 94 -0.158 15.142 13.672 647 HD2 HIS 94 HD2 HIS 94 -1.975 17.886 16.230 648 HE1 HIS 94 HE1 HIS 94 1.424 17.112 13.849 649 HB2 HIS 94 HB2 HIS 94 -3.060 15.258 16.047 650 HB3 HIS 94 HB1 HIS 94 -2.192 14.174 14.958 651 H HIS 95 HN HIS 95 -4.157 16.647 11.828 652 HA HIS 95 HA HIS 95 -2.821 14.832 9.994 653 HD1 HIS 95 HD1 HIS 95 -3.000 19.209 8.969 654 HD2 HIS 95 HD2 HIS 95 -6.091 17.441 11.138 655 HE1 HIS 95 HE1 HIS 95 -4.194 21.088 10.177 656 HB2 HIS 95 HB2 HIS 95 -3.388 16.746 8.340 657 HB3 HIS 95 HB1 HIS 95 -4.734 15.907 9.105 658 H HIS 96 HN HIS 96 -2.293 18.266 10.866 659 HA HIS 96 HA HIS 96 0.605 17.914 10.842 660 HD1 HIS 96 HD1 HIS 96 2.696 17.990 9.378 661 HD2 HIS 96 HD2 HIS 96 1.147 21.783 8.609 662 HE1 HIS 96 HE1 HIS 96 4.683 19.547 9.171 663 HB2 HIS 96 HB2 HIS 96 0.093 18.137 8.407 664 HB3 HIS 96 HB1 HIS 96 -0.658 19.700 8.736 665 H HIS 97 HN HIS 97 -1.686 20.585 10.230 666 HA HIS 97 HA HIS 97 -1.927 22.664 11.270 667 HD1 HIS 97 HD1 HIS 97 -0.590 23.346 14.875 668 HD2 HIS 97 HD2 HIS 97 -4.449 23.418 13.299 669 HE1 HIS 97 HE1 HIS 97 -1.701 25.426 15.796 670 HB2 HIS 97 HB2 HIS 97 -2.906 21.069 12.959 671 HB3 HIS 97 HB1 HIS 97 -1.347 21.083 13.784 672 H HIS 98 HN HIS 98 0.913 21.369 10.801 673 HA HIS 98 HA HIS 98 3.137 22.018 11.076 674 HD1 HIS 98 HD1 HIS 98 4.890 23.454 9.685 675 HD2 HIS 98 HD2 HIS 98 3.904 26.090 12.761 676 HE1 HIS 98 HE1 HIS 98 7.030 24.651 10.315 677 HB2 HIS 98 HB2 HIS 98 2.237 24.035 9.983 678 HB3 HIS 98 HB1 HIS 98 1.818 24.703 11.563 Start of MODEL 12 1 HA ALA 12 HA ALA 12 -5.317 13.359 -11.450 2 H1 ALA 12 HN ALA 12 -6.775 13.058 -13.897 3 HB1 ALA 12 HB1 ALA 12 -7.983 14.606 -12.190 4 HB2 ALA 12 HB2 ALA 12 -6.416 15.231 -12.703 5 HB3 ALA 12 HB3 ALA 12 -6.838 15.208 -10.991 6 H PHE 13 HN PHE 13 -8.492 11.988 -12.203 7 HA PHE 13 HA PHE 13 -9.447 11.690 -9.532 8 HD1 PHE 13 HD1 PHE 13 -12.070 11.615 -9.368 9 HD2 PHE 13 HD2 PHE 13 -10.594 7.848 -10.813 10 HE1 PHE 13 HE1 PHE 13 -13.600 10.423 -7.824 11 HE2 PHE 13 HE2 PHE 13 -12.124 6.657 -9.267 12 HZ PHE 13 HZ PHE 13 -13.627 7.944 -7.773 13 HB2 PHE 13 HB2 PHE 13 -10.828 11.362 -11.591 14 HB3 PHE 13 HB1 PHE 13 -9.958 9.859 -11.898 15 H PHE 14 HN PHE 14 -7.572 9.488 -11.609 16 HA PHE 14 HA PHE 14 -7.358 7.377 -9.678 17 HD1 PHE 14 HD2 PHE 14 -6.943 4.830 -11.057 18 HD2 PHE 14 HD1 PHE 14 -7.668 8.292 -13.490 19 HE1 PHE 14 HE2 PHE 14 -8.686 3.586 -12.308 20 HE2 PHE 14 HE1 PHE 14 -9.409 7.049 -14.744 21 HZ PHE 14 HZ PHE 14 -9.919 4.695 -14.152 22 HB2 PHE 14 HB2 PHE 14 -5.680 8.139 -12.081 23 HB3 PHE 14 HB1 PHE 14 -5.359 6.702 -11.111 24 H ASN 15 HN ASN 15 -5.347 10.208 -10.404 25 HA ASN 15 HA ASN 15 -3.143 9.555 -8.721 26 HB2 ASN 15 HB2 ASN 15 -3.053 11.378 -10.365 27 HB3 ASN 15 HB1 ASN 15 -4.272 12.274 -9.457 28 HD21 ASN 15 HD21 ASN 15 -1.040 10.746 -8.916 29 HD22 ASN 15 HD22 ASN 15 -0.495 11.947 -7.847 30 H GLU 16 HN GLU 16 -6.182 11.283 -8.035 31 HA GLU 16 HA GLU 16 -5.527 11.975 -5.330 32 HB2 GLU 16 HB2 GLU 16 -8.194 11.492 -6.693 33 HB3 GLU 16 HB1 GLU 16 -8.032 12.142 -5.062 34 HG2 GLU 16 HG2 GLU 16 -6.748 13.398 -7.503 35 HG3 GLU 16 HG1 GLU 16 -8.306 13.903 -6.848 36 H GLN 17 HN GLN 17 -7.198 9.182 -6.761 37 HA GLN 17 HA GLN 17 -7.757 7.846 -4.283 38 HB2 GLN 17 HB2 GLN 17 -7.396 6.820 -7.113 39 HB3 GLN 17 HB1 GLN 17 -7.922 5.802 -5.773 40 HG2 GLN 17 HG2 GLN 17 -9.334 8.353 -6.603 41 HG3 GLN 17 HG1 GLN 17 -9.812 6.746 -7.150 42 HE21 GLN 17 HE21 GLN 17 -9.532 5.218 -4.826 43 HE22 GLN 17 HE22 GLN 17 -10.582 5.797 -3.625 44 H LYS 18 HN LYS 18 -5.012 7.757 -6.519 45 HA LYS 18 HA LYS 18 -3.592 5.607 -5.288 46 HB2 LYS 18 HB2 LYS 18 -3.099 6.597 -7.539 47 HB3 LYS 18 HB1 LYS 18 -2.420 8.005 -6.725 48 HG2 LYS 18 HG2 LYS 18 -0.800 6.544 -5.556 49 HG3 LYS 18 HG1 LYS 18 -1.465 5.147 -6.401 50 HD2 LYS 18 HD2 LYS 18 -0.388 7.542 -7.897 51 HD3 LYS 18 HD1 LYS 18 0.662 6.220 -7.396 52 HE2 LYS 18 HE2 LYS 18 -0.945 4.647 -8.601 53 HE3 LYS 18 HE1 LYS 18 -1.702 6.085 -9.284 54 HZ1 LYS 18 HZ1 LYS 18 -0.161 5.889 -10.860 55 HZ2 LYS 18 HZ2 LYS 18 0.814 4.854 -9.931 56 HZ3 LYS 18 HZ3 LYS 18 0.916 6.537 -9.721 57 H GLU 19 HN GLU 19 -3.556 9.115 -4.709 58 HA GLU 19 HA GLU 19 -1.407 9.094 -2.814 59 HB2 GLU 19 HB2 GLU 19 -2.268 11.148 -3.933 60 HB3 GLU 19 HB1 GLU 19 -3.749 11.017 -2.983 61 HG2 GLU 19 HG2 GLU 19 -2.460 11.213 -0.903 62 HG3 GLU 19 HG1 GLU 19 -0.959 11.289 -1.826 63 H LYS 20 HN LYS 20 -4.916 8.708 -2.471 64 HA LYS 20 HA LYS 20 -4.999 8.770 0.384 65 HB2 LYS 20 HB2 LYS 20 -6.776 7.392 -1.646 66 HB3 LYS 20 HB1 LYS 20 -7.145 7.470 0.077 67 HG2 LYS 20 HG2 LYS 20 -7.092 9.934 -0.020 68 HG3 LYS 20 HG1 LYS 20 -6.723 9.862 -1.740 69 HD2 LYS 20 HD2 LYS 20 -8.851 8.704 -2.165 70 HD3 LYS 20 HD1 LYS 20 -9.226 8.744 -0.443 71 HE2 LYS 20 HE2 LYS 20 -9.179 11.213 -0.490 72 HE3 LYS 20 HE1 LYS 20 -8.815 11.172 -2.215 73 HZ1 LYS 20 HZ1 LYS 20 -10.899 10.069 -2.623 74 HZ2 LYS 20 HZ2 LYS 20 -11.185 11.504 -1.760 75 HZ3 LYS 20 HZ3 LYS 20 -11.241 10.004 -0.964 76 H VAL 21 HN VAL 21 -4.515 6.088 -1.908 77 HA VAL 21 HA VAL 21 -4.495 3.997 0.052 78 HB VAL 21 HB VAL 21 -3.110 4.182 -2.641 79 HG11 VAL 21 HG11 VAL 21 -3.201 1.634 -2.432 80 HG12 VAL 21 HG12 VAL 21 -3.528 1.885 -0.718 81 HG13 VAL 21 HG13 VAL 21 -2.012 2.450 -1.418 82 HG21 VAL 21 HG21 VAL 21 -5.680 2.790 -1.830 83 HG22 VAL 21 HG22 VAL 21 -5.027 2.935 -3.461 84 HG23 VAL 21 HG23 VAL 21 -5.618 4.366 -2.617 85 H THR 22 HN THR 22 -1.897 5.977 -1.351 86 HA THR 22 HA THR 22 0.282 4.718 -0.010 87 HB THR 22 HB THR 22 -0.048 7.609 -0.881 88 HG1 THR 22 HG1 THR 22 -0.088 5.566 -2.343 89 HG21 THR 22 HG21 THR 22 2.355 5.987 -0.029 90 HG22 THR 22 HG22 THR 22 1.800 7.530 0.622 91 HG23 THR 22 HG23 THR 22 2.498 7.455 -0.996 92 H LEU 23 HN LEU 23 -1.774 7.479 0.905 93 HA LEU 23 HA LEU 23 -0.444 8.071 3.354 94 HG LEU 23 HG LEU 23 -2.756 8.722 5.106 95 HB2 LEU 23 HB2 LEU 23 -2.121 9.568 2.255 96 HB3 LEU 23 HB1 LEU 23 -3.388 8.425 2.696 97 HD11 LEU 23 HD11 LEU 23 -0.773 10.612 3.852 98 HD12 LEU 23 HD12 LEU 23 -0.539 9.464 5.167 99 HD13 LEU 23 HD13 LEU 23 -1.410 10.963 5.459 100 HD21 LEU 23 HD21 LEU 23 -3.604 11.145 5.223 101 HD22 LEU 23 HD22 LEU 23 -4.629 9.993 4.369 102 HD23 LEU 23 HD23 LEU 23 -3.612 11.111 3.459 103 H TYR 24 HN TYR 24 -3.162 5.907 2.601 104 HA TYR 24 HA TYR 24 -3.736 5.096 5.269 105 HD1 TYR 24 HD2 TYR 24 -6.315 3.721 5.532 106 HD2 TYR 24 HD1 TYR 24 -3.388 1.411 3.400 107 HE1 TYR 24 HE2 TYR 24 -6.960 1.705 6.827 108 HE2 TYR 24 HE1 TYR 24 -4.032 -0.603 4.693 109 HH TYR 24 HH TYR 24 -5.251 -1.388 6.378 110 HB2 TYR 24 HB2 TYR 24 -5.266 4.559 3.463 111 HB3 TYR 24 HB1 TYR 24 -4.026 3.620 2.633 112 H LEU 25 HN LEU 25 -1.576 3.668 2.820 113 HA LEU 25 HA LEU 25 -0.641 1.512 4.444 114 HG LEU 25 HG LEU 25 -1.492 1.689 1.728 115 HB2 LEU 25 HB2 LEU 25 0.634 3.001 2.134 116 HB3 LEU 25 HB1 LEU 25 1.325 1.545 2.843 117 HD11 LEU 25 HD11 LEU 25 -0.575 0.528 -0.253 118 HD12 LEU 25 HD12 LEU 25 1.050 0.679 0.415 119 HD13 LEU 25 HD13 LEU 25 0.151 2.123 -0.052 120 HD21 LEU 25 HD21 LEU 25 -1.434 -0.195 3.126 121 HD22 LEU 25 HD22 LEU 25 0.273 -0.507 2.814 122 HD23 LEU 25 HD23 LEU 25 -0.934 -0.891 1.589 123 H LYS 26 HN LYS 26 0.585 4.804 3.947 124 HA LYS 26 HA LYS 26 2.963 4.545 5.485 125 HB2 LYS 26 HB2 LYS 26 2.413 6.454 3.968 126 HB3 LYS 26 HB1 LYS 26 1.227 7.008 5.150 127 HG2 LYS 26 HG2 LYS 26 2.970 7.292 6.830 128 HG3 LYS 26 HG1 LYS 26 4.178 6.628 5.727 129 HD2 LYS 26 HD2 LYS 26 3.753 8.491 4.153 130 HD3 LYS 26 HD1 LYS 26 2.578 9.166 5.283 131 HE2 LYS 26 HE2 LYS 26 5.488 8.663 5.962 132 HE3 LYS 26 HE1 LYS 26 4.846 10.226 5.456 133 HZ1 LYS 26 HZ1 LYS 26 4.726 10.368 7.731 134 HZ2 LYS 26 HZ2 LYS 26 4.342 8.725 7.935 135 HZ3 LYS 26 HZ3 LYS 26 3.167 9.810 7.359 136 H HIS 27 HN HIS 27 -0.330 5.499 6.426 137 HA HIS 27 HA HIS 27 0.331 6.062 9.174 138 HD1 HIS 27 HD1 HIS 27 -3.123 7.797 10.091 139 HD2 HIS 27 HD2 HIS 27 -0.270 8.154 7.078 140 HE1 HIS 27 HE1 HIS 27 -2.708 10.277 9.790 141 HB2 HIS 27 HB2 HIS 27 -2.183 5.629 7.587 142 HB3 HIS 27 HB1 HIS 27 -2.298 5.571 9.345 143 H ASN 28 HN ASN 28 -0.840 3.157 7.497 144 HA ASN 28 HA ASN 28 -0.962 1.647 10.025 145 HB2 ASN 28 HB2 ASN 28 -1.400 0.904 7.120 146 HB3 ASN 28 HB1 ASN 28 -1.496 -0.267 8.437 147 HD21 ASN 28 HD21 ASN 28 -3.394 1.811 6.600 148 HD22 ASN 28 HD22 ASN 28 -4.694 2.000 7.674 149 H ILE 29 HN ILE 29 1.367 2.466 7.699 150 HA ILE 29 HA ILE 29 3.241 0.426 8.811 151 HB ILE 29 HB ILE 29 3.227 1.179 5.884 152 HG12 ILE 29 HG12 ILE 29 1.879 -1.174 7.252 153 HG13 ILE 29 HG11 ILE 29 1.071 0.119 6.365 154 HG21 ILE 29 HG21 ILE 29 5.281 0.211 7.007 155 HG22 ILE 29 HG22 ILE 29 4.659 -0.744 5.662 156 HG23 ILE 29 HG23 ILE 29 4.336 -1.243 7.323 157 HD11 ILE 29 HD11 ILE 29 2.468 -0.572 4.344 158 HD12 ILE 29 HD12 ILE 29 1.227 -1.720 4.844 159 HD13 ILE 29 HD13 ILE 29 2.916 -2.009 5.261 160 HA PRO 30 HA PRO 30 4.868 4.786 9.142 161 HB2 PRO 30 HB2 PRO 30 6.308 3.397 11.375 162 HB3 PRO 30 HB1 PRO 30 5.472 4.963 11.378 163 HG2 PRO 30 HG2 PRO 30 4.398 2.825 12.550 164 HG3 PRO 30 HG1 PRO 30 3.392 4.001 11.685 165 HD2 PRO 30 HD2 PRO 30 4.267 1.266 10.811 166 HD3 PRO 30 HD1 PRO 30 2.727 2.105 10.515 167 H ASP 31 HN ASP 31 6.352 1.614 9.058 168 HA ASP 31 HA ASP 31 9.014 2.636 8.361 169 HB2 ASP 31 HB2 ASP 31 7.825 -0.156 8.428 170 HB3 ASP 31 HB1 ASP 31 9.513 0.189 8.050 171 H PHE 32 HN PHE 32 6.323 2.839 6.723 172 HA PHE 32 HA PHE 32 6.550 1.439 4.302 173 HD1 PHE 32 HD1 PHE 32 4.990 1.388 2.458 174 HD2 PHE 32 HD2 PHE 32 5.497 5.621 2.995 175 HE1 PHE 32 HE1 PHE 32 4.728 1.730 0.021 176 HE2 PHE 32 HE2 PHE 32 5.233 5.962 0.555 177 HZ PHE 32 HZ PHE 32 4.851 4.018 -0.933 178 HB2 PHE 32 HB2 PHE 32 4.572 2.727 4.754 179 HB3 PHE 32 HB1 PHE 32 5.499 4.221 4.873 180 H ASN 33 HN ASN 33 7.826 1.603 2.549 181 HA ASN 33 HA ASN 33 9.914 3.755 2.491 182 HB2 ASN 33 HB2 ASN 33 10.736 1.411 2.688 183 HB3 ASN 33 HB1 ASN 33 9.910 1.019 1.180 184 HD21 ASN 33 HD21 ASN 33 12.700 0.712 1.292 185 HD22 ASN 33 HD22 ASN 33 13.442 1.910 0.345 186 H THR 34 HN THR 34 8.244 1.610 0.140 187 HA THR 34 HA THR 34 7.425 3.986 -1.423 188 HB THR 34 HB THR 34 9.643 3.555 -2.321 189 HG1 THR 34 HG1 THR 34 8.785 2.587 -4.458 190 HG21 THR 34 HG21 THR 34 8.704 0.725 -2.852 191 HG22 THR 34 HG22 THR 34 9.755 1.178 -1.511 192 HG23 THR 34 HG23 THR 34 10.304 1.389 -3.174 193 H VAL 35 HN VAL 35 5.880 3.434 -3.108 194 HA VAL 35 HA VAL 35 4.602 0.739 -2.763 195 HB VAL 35 HB VAL 35 3.254 2.457 -1.628 196 HG11 VAL 35 HG11 VAL 35 4.167 4.326 -3.142 197 HG12 VAL 35 HG12 VAL 35 2.457 4.411 -2.720 198 HG13 VAL 35 HG13 VAL 35 2.944 3.819 -4.308 199 HG21 VAL 35 HG21 VAL 35 1.176 1.938 -2.656 200 HG22 VAL 35 HG22 VAL 35 2.225 0.575 -3.050 201 HG23 VAL 35 HG23 VAL 35 1.906 1.821 -4.256 202 H THR 36 HN THR 36 4.203 -0.315 -4.643 203 HA THR 36 HA THR 36 4.466 1.220 -7.216 204 HB THR 36 HB THR 36 5.335 -1.616 -6.573 205 HG1 THR 36 HG1 THR 36 6.937 -0.350 -5.933 206 HG21 THR 36 HG21 THR 36 4.543 -1.688 -8.802 207 HG22 THR 36 HG22 THR 36 6.276 -1.408 -8.963 208 HG23 THR 36 HG23 THR 36 5.146 -0.069 -9.158 209 H PHE 37 HN PHE 37 2.592 1.261 -8.284 210 HA PHE 37 HA PHE 37 0.492 -0.746 -7.679 211 HD1 PHE 37 HD2 PHE 37 -1.624 0.637 -6.474 212 HD2 PHE 37 HD1 PHE 37 1.420 3.312 -7.898 213 HE1 PHE 37 HE2 PHE 37 -1.756 1.915 -4.353 214 HE2 PHE 37 HE1 PHE 37 1.290 4.590 -5.775 215 HZ PHE 37 HZ PHE 37 -0.298 3.890 -4.003 216 HB2 PHE 37 HB2 PHE 37 0.380 1.748 -9.395 217 HB3 PHE 37 HB1 PHE 37 -0.994 0.766 -8.888 218 H THR 38 HN THR 38 -0.253 -2.198 -9.187 219 HA THR 38 HA THR 38 1.187 -2.296 -11.823 220 HB THR 38 HB THR 38 0.772 -4.753 -11.711 221 HG1 THR 38 HG1 THR 38 0.200 -4.491 -8.997 222 HG21 THR 38 HG21 THR 38 2.901 -3.747 -10.900 223 HG22 THR 38 HG22 THR 38 2.478 -5.220 -10.025 224 HG23 THR 38 HG23 THR 38 2.206 -3.643 -9.283 225 H ASN 39 HN ASN 39 -1.896 -2.573 -10.120 226 HA ASN 39 HA ASN 39 -3.283 -2.264 -12.759 227 HB2 ASN 39 HB2 ASN 39 -3.286 -4.690 -11.947 228 HB3 ASN 39 HB1 ASN 39 -4.301 -4.137 -10.616 229 HD21 ASN 39 HD21 ASN 39 -4.167 -4.207 -14.209 230 HD22 ASN 39 HD22 ASN 39 -5.851 -4.174 -14.421 231 H GLU 40 HN GLU 40 -5.016 -0.904 -12.689 232 HA GLU 40 HA GLU 40 -6.066 -0.013 -10.047 233 HB2 GLU 40 HB2 GLU 40 -5.027 1.779 -12.258 234 HB3 GLU 40 HB1 GLU 40 -6.035 2.355 -10.931 235 HG2 GLU 40 HG2 GLU 40 -4.369 1.583 -9.302 236 HG3 GLU 40 HG1 GLU 40 -3.368 0.945 -10.607 237 H GLU 41 HN GLU 41 -7.511 -1.751 -11.330 238 HA GLU 41 HA GLU 41 -9.911 -0.375 -12.078 239 HB2 GLU 41 HB2 GLU 41 -10.022 -1.096 -14.455 240 HB3 GLU 41 HB1 GLU 41 -8.729 0.068 -14.179 241 HG2 GLU 41 HG2 GLU 41 -7.109 -1.812 -13.996 242 HG3 GLU 41 HG1 GLU 41 -8.414 -2.944 -14.351 243 H PHE 42 HN PHE 42 -11.243 -2.221 -13.516 244 HA PHE 42 HA PHE 42 -12.331 -4.271 -13.382 245 HD1 PHE 42 HD2 PHE 42 -11.859 -6.259 -15.139 246 HD2 PHE 42 HD1 PHE 42 -10.749 -7.276 -11.115 247 HE1 PHE 42 HE2 PHE 42 -13.054 -8.421 -15.356 248 HE2 PHE 42 HE1 PHE 42 -11.943 -9.439 -11.333 249 HZ PHE 42 HZ PHE 42 -13.096 -10.011 -13.453 250 HB2 PHE 42 HB2 PHE 42 -9.976 -5.094 -13.908 251 HB3 PHE 42 HB1 PHE 42 -9.780 -5.375 -12.179 252 H ASN 43 HN ASN 43 -13.823 -3.671 -11.809 253 HA ASN 43 HA ASN 43 -13.657 -5.112 -9.346 254 HB2 ASN 43 HB2 ASN 43 -12.192 -3.006 -8.999 255 HB3 ASN 43 HB1 ASN 43 -13.723 -2.151 -8.875 256 HD21 ASN 43 HD21 ASN 43 -11.632 -2.851 -6.739 257 HD22 ASN 43 HD22 ASN 43 -12.524 -3.636 -5.527 258 HA PRO 44 HA PRO 44 -18.062 -4.769 -10.481 259 HB2 PRO 44 HB2 PRO 44 -18.311 -5.543 -7.581 260 HB3 PRO 44 HB1 PRO 44 -19.147 -6.212 -8.998 261 HG2 PRO 44 HG2 PRO 44 -17.116 -7.500 -7.844 262 HG3 PRO 44 HG1 PRO 44 -17.351 -7.525 -9.600 263 HD2 PRO 44 HD2 PRO 44 -15.285 -6.089 -8.006 264 HD3 PRO 44 HD1 PRO 44 -15.227 -6.671 -9.685 265 H ILE 45 HN ILE 45 -16.904 -3.530 -7.340 266 HA ILE 45 HA ILE 45 -19.072 -1.655 -7.021 267 HB ILE 45 HB ILE 45 -17.632 -2.548 -5.160 268 HG12 ILE 45 HG12 ILE 45 -17.451 -0.345 -3.973 269 HG13 ILE 45 HG11 ILE 45 -17.789 0.466 -5.500 270 HG21 ILE 45 HG21 ILE 45 -15.418 -1.796 -4.845 271 HG22 ILE 45 HG22 ILE 45 -15.599 -0.490 -6.017 272 HG23 ILE 45 HG23 ILE 45 -15.496 -2.160 -6.568 273 HD11 ILE 45 HD11 ILE 45 -20.011 -0.145 -5.493 274 HD12 ILE 45 HD12 ILE 45 -19.734 -0.123 -3.754 275 HD13 ILE 45 HD13 ILE 45 -19.717 -1.655 -4.628 276 H GLY 46 HN GLY 46 -15.811 -1.439 -8.386 277 HA2 GLY 46 HA2 GLY 46 -16.476 0.720 -10.125 278 HA3 GLY 46 HA1 GLY 46 -15.685 1.383 -8.696 279 H ILE 47 HN ILE 47 -13.490 0.780 -8.270 280 HA ILE 47 HA ILE 47 -12.075 -0.680 -10.468 281 HB ILE 47 HB ILE 47 -10.238 1.049 -10.249 282 HG12 ILE 47 HG12 ILE 47 -12.446 2.661 -8.933 283 HG13 ILE 47 HG11 ILE 47 -11.086 1.955 -8.058 284 HG21 ILE 47 HG21 ILE 47 -12.938 2.041 -11.211 285 HG22 ILE 47 HG22 ILE 47 -11.872 0.972 -12.126 286 HG23 ILE 47 HG23 ILE 47 -11.360 2.618 -11.752 287 HD11 ILE 47 HD11 ILE 47 -9.514 3.239 -9.467 288 HD12 ILE 47 HD12 ILE 47 -10.630 4.311 -8.620 289 HD13 ILE 47 HD13 ILE 47 -10.876 3.954 -10.330 290 H SER 48 HN SER 48 -10.121 -1.689 -9.821 291 HA SER 48 HA SER 48 -9.787 -1.983 -6.849 292 HG SER 48 HG SER 48 -7.807 -3.819 -7.229 293 HB2 SER 48 HB2 SER 48 -10.536 -4.073 -7.748 294 HB3 SER 48 HB1 SER 48 -9.429 -3.960 -9.114 295 H ILE 49 HN ILE 49 -7.817 -1.480 -6.044 296 HA ILE 49 HA ILE 49 -5.608 -0.881 -7.974 297 HB ILE 49 HB ILE 49 -6.057 0.071 -5.133 298 HG12 ILE 49 HG12 ILE 49 -6.145 1.596 -7.753 299 HG13 ILE 49 HG11 ILE 49 -7.579 0.998 -6.920 300 HG21 ILE 49 HG21 ILE 49 -3.879 0.633 -7.162 301 HG22 ILE 49 HG22 ILE 49 -3.688 -0.078 -5.559 302 HG23 ILE 49 HG23 ILE 49 -4.144 1.618 -5.723 303 HD11 ILE 49 HD11 ILE 49 -5.574 3.018 -5.884 304 HD12 ILE 49 HD12 ILE 49 -6.837 2.297 -4.886 305 HD13 ILE 49 HD13 ILE 49 -7.271 3.300 -6.270 306 H ASP 50 HN ASP 50 -4.143 -2.460 -8.104 307 HA ASP 50 HA ASP 50 -3.503 -4.066 -5.647 308 HB2 ASP 50 HB2 ASP 50 -3.468 -4.883 -8.566 309 HB3 ASP 50 HB1 ASP 50 -2.871 -5.880 -7.241 310 H GLY 51 HN GLY 51 -1.365 -4.236 -5.106 311 HA2 GLY 51 HA2 GLY 51 0.823 -3.802 -6.903 312 HA3 GLY 51 HA1 GLY 51 0.504 -2.320 -6.003 313 H TYR 52 HN TYR 52 2.775 -2.877 -5.217 314 HA TYR 52 HA TYR 52 2.520 -4.328 -2.645 315 HD1 TYR 52 HD1 TYR 52 6.369 -3.881 -4.296 316 HD2 TYR 52 HD2 TYR 52 3.195 -5.915 -6.356 317 HE1 TYR 52 HE1 TYR 52 7.475 -3.417 -6.468 318 HE2 TYR 52 HE2 TYR 52 4.302 -5.450 -8.524 319 HH TYR 52 HH TYR 52 5.896 -4.060 -9.512 320 HB2 TYR 52 HB2 TYR 52 4.780 -5.423 -3.117 321 HB3 TYR 52 HB1 TYR 52 3.396 -6.091 -3.979 322 H ILE 53 HN ILE 53 4.457 -3.945 -1.250 323 HA ILE 53 HA ILE 53 5.619 -1.218 -1.790 324 HB ILE 53 HB ILE 53 5.574 -0.872 0.656 325 HG12 ILE 53 HG12 ILE 53 4.011 -3.475 0.723 326 HG13 ILE 53 HG11 ILE 53 5.672 -3.294 1.287 327 HG21 ILE 53 HG21 ILE 53 3.193 -0.488 0.835 328 HG22 ILE 53 HG22 ILE 53 2.859 -1.696 -0.407 329 HG23 ILE 53 HG23 ILE 53 3.669 -0.189 -0.835 330 HD11 ILE 53 HD11 ILE 53 4.299 -3.078 3.228 331 HD12 ILE 53 HD12 ILE 53 3.190 -1.980 2.405 332 HD13 ILE 53 HD13 ILE 53 4.819 -1.444 2.816 333 H ASN 54 HN ASN 54 7.670 -0.809 -0.688 334 HA ASN 54 HA ASN 54 9.914 -1.332 -0.341 335 HB2 ASN 54 HB2 ASN 54 8.576 -3.727 0.951 336 HB3 ASN 54 HB1 ASN 54 10.312 -3.429 1.033 337 HD21 ASN 54 HD21 ASN 54 7.354 -2.734 2.584 338 HD22 ASN 54 HD22 ASN 54 7.881 -1.426 3.529 339 H ASN 55 HN ASN 55 8.667 -2.076 -2.862 340 HA ASN 55 HA ASN 55 9.033 -3.432 -4.745 341 HB2 ASN 55 HB2 ASN 55 11.840 -3.510 -3.610 342 HB3 ASN 55 HB1 ASN 55 11.371 -3.674 -5.303 343 HD21 ASN 55 HD21 ASN 55 9.431 -1.579 -5.458 344 HD22 ASN 55 HD22 ASN 55 10.221 -0.094 -5.234 345 H ASP 56 HN ASP 56 8.199 -4.846 -2.311 346 HA ASP 56 HA ASP 56 9.544 -7.497 -2.710 347 HB2 ASP 56 HB2 ASP 56 7.996 -6.330 -0.386 348 HB3 ASP 56 HB1 ASP 56 8.390 -8.045 -0.504 349 H LYS 57 HN LYS 57 8.429 -8.693 -4.129 350 HA LYS 57 HA LYS 57 5.748 -8.295 -4.954 351 HB2 LYS 57 HB2 LYS 57 7.515 -10.757 -5.014 352 HB3 LYS 57 HB1 LYS 57 5.949 -10.666 -5.821 353 HG2 LYS 57 HG2 LYS 57 6.734 -8.738 -7.144 354 HG3 LYS 57 HG1 LYS 57 8.298 -8.812 -6.329 355 HD2 LYS 57 HD2 LYS 57 8.698 -11.051 -7.224 356 HD3 LYS 57 HD1 LYS 57 7.101 -11.063 -7.972 357 HE2 LYS 57 HE2 LYS 57 8.782 -10.482 -9.650 358 HE3 LYS 57 HE1 LYS 57 7.753 -9.085 -9.335 359 HZ1 LYS 57 HZ1 LYS 57 10.313 -9.515 -7.913 360 HZ2 LYS 57 HZ2 LYS 57 9.398 -8.087 -8.022 361 HZ3 LYS 57 HZ3 LYS 57 10.228 -8.676 -9.383 362 H ASN 58 HN ASN 58 7.093 -10.221 -2.328 363 HA ASN 58 HA ASN 58 4.769 -11.761 -1.717 364 HB2 ASN 58 HB2 ASN 58 7.031 -10.760 0.033 365 HB3 ASN 58 HB1 ASN 58 5.804 -11.899 0.583 366 HD21 ASN 58 HD21 ASN 58 8.738 -12.385 0.218 367 HD22 ASN 58 HD22 ASN 58 8.855 -13.669 -0.886 368 H LEU 59 HN LEU 59 5.797 -8.517 -0.703 369 HA LEU 59 HA LEU 59 3.475 -8.201 1.075 370 HG LEU 59 HG LEU 59 6.621 -8.014 1.229 371 HB2 LEU 59 HB2 LEU 59 5.482 -6.129 0.133 372 HB3 LEU 59 HB1 LEU 59 4.385 -5.981 1.505 373 HD11 LEU 59 HD11 LEU 59 7.778 -6.754 2.895 374 HD12 LEU 59 HD12 LEU 59 6.361 -5.755 3.226 375 HD13 LEU 59 HD13 LEU 59 7.228 -5.580 1.700 376 HD21 LEU 59 HD21 LEU 59 4.999 -9.104 2.531 377 HD22 LEU 59 HD22 LEU 59 4.439 -7.609 3.276 378 HD23 LEU 59 HD23 LEU 59 5.986 -8.310 3.754 379 H SER 60 HN SER 60 1.858 -8.613 -0.610 380 HA SER 60 HA SER 60 1.499 -6.373 -2.559 381 HG SER 60 HG SER 60 -0.095 -7.914 -4.742 382 HB2 SER 60 HB2 SER 60 1.459 -8.600 -3.548 383 HB3 SER 60 HB1 SER 60 0.221 -9.116 -2.407 384 H PHE 61 HN PHE 61 -0.656 -5.460 -2.782 385 HA PHE 61 HA PHE 61 -2.520 -5.895 -0.509 386 HD1 PHE 61 HD1 PHE 61 0.773 -3.453 -1.345 387 HD2 PHE 61 HD2 PHE 61 -3.242 -2.064 -1.985 388 HE1 PHE 61 HE1 PHE 61 1.610 -1.786 -2.978 389 HE2 PHE 61 HE2 PHE 61 -2.403 -0.398 -3.620 390 HZ PHE 61 HZ PHE 61 0.023 -0.259 -4.116 391 HB2 PHE 61 HB2 PHE 61 -2.677 -3.483 -0.066 392 HB3 PHE 61 HB1 PHE 61 -1.031 -4.046 0.191 393 H THR 62 HN THR 62 -4.654 -5.408 -1.029 394 HA THR 62 HA THR 62 -5.194 -4.419 -3.809 395 HB THR 62 HB THR 62 -6.512 -6.758 -2.397 396 HG1 THR 62 HG1 THR 62 -4.793 -7.583 -3.344 397 HG21 THR 62 HG21 THR 62 -8.271 -5.735 -3.567 398 HG22 THR 62 HG22 THR 62 -7.652 -6.901 -4.735 399 HG23 THR 62 HG23 THR 62 -7.219 -5.198 -4.878 400 H ALA 63 HN ALA 63 -6.682 -2.823 -3.862 401 HA ALA 63 HA ALA 63 -8.523 -2.485 -1.526 402 HB1 ALA 63 HB1 ALA 63 -8.103 -0.144 -1.441 403 HB2 ALA 63 HB2 ALA 63 -7.189 -0.182 -2.949 404 HB3 ALA 63 HB3 ALA 63 -6.516 -0.912 -1.490 405 H GLY 64 HN GLY 64 -10.594 -1.965 -2.077 406 HA2 GLY 64 HA2 GLY 64 -11.219 -1.907 -4.984 407 HA3 GLY 64 HA1 GLY 64 -12.369 -2.229 -3.686 408 H LYS 65 HN LYS 65 -10.911 0.196 -5.638 409 HA LYS 65 HA LYS 65 -11.181 2.529 -5.737 410 HB2 LYS 65 HB2 LYS 65 -13.365 1.628 -6.532 411 HB3 LYS 65 HB1 LYS 65 -13.981 1.745 -4.885 412 HG2 LYS 65 HG2 LYS 65 -13.588 4.162 -4.879 413 HG3 LYS 65 HG1 LYS 65 -12.890 4.071 -6.496 414 HD2 LYS 65 HD2 LYS 65 -15.045 3.225 -7.371 415 HD3 LYS 65 HD1 LYS 65 -15.741 3.347 -5.755 416 HE2 LYS 65 HE2 LYS 65 -16.393 5.354 -6.842 417 HE3 LYS 65 HE1 LYS 65 -15.035 5.822 -5.820 418 HZ1 LYS 65 HZ1 LYS 65 -14.644 4.985 -8.628 419 HZ2 LYS 65 HZ2 LYS 65 -13.592 5.873 -7.630 420 HZ3 LYS 65 HZ3 LYS 65 -15.011 6.593 -8.228 421 H ASP 66 HN ASP 66 -13.598 2.112 -3.189 422 HA ASP 66 HA ASP 66 -12.435 4.274 -1.656 423 HB2 ASP 66 HB2 ASP 66 -14.674 2.310 -1.129 424 HB3 ASP 66 HB1 ASP 66 -14.215 3.561 0.028 425 H VAL 67 HN VAL 67 -10.844 4.122 -0.183 426 HA VAL 67 HA VAL 67 -9.494 1.690 0.424 427 HB VAL 67 HB VAL 67 -9.506 4.289 1.995 428 HG11 VAL 67 HG11 VAL 67 -8.451 2.726 3.395 429 HG12 VAL 67 HG12 VAL 67 -7.095 3.398 2.492 430 HG13 VAL 67 HG13 VAL 67 -7.763 1.828 2.042 431 HG21 VAL 67 HG21 VAL 67 -8.917 4.507 -0.440 432 HG22 VAL 67 HG22 VAL 67 -7.611 3.350 -0.183 433 HG23 VAL 67 HG23 VAL 67 -7.582 4.909 0.640 434 H LYS 68 HN LYS 68 -12.523 2.595 1.381 435 HA LYS 68 HA LYS 68 -12.581 1.933 4.162 436 HB2 LYS 68 HB2 LYS 68 -14.704 1.701 2.011 437 HB3 LYS 68 HB1 LYS 68 -15.015 1.438 3.727 438 HG2 LYS 68 HG2 LYS 68 -14.301 3.714 4.246 439 HG3 LYS 68 HG1 LYS 68 -13.855 3.987 2.563 440 HD2 LYS 68 HD2 LYS 68 -15.992 4.975 2.731 441 HD3 LYS 68 HD1 LYS 68 -16.321 3.398 2.019 442 HE2 LYS 68 HE2 LYS 68 -17.026 2.503 4.151 443 HE3 LYS 68 HE1 LYS 68 -16.484 3.952 4.996 444 HZ1 LYS 68 HZ1 LYS 68 -18.843 4.046 4.681 445 HZ2 LYS 68 HZ2 LYS 68 -18.684 3.777 3.010 446 HZ3 LYS 68 HZ3 LYS 68 -18.120 5.223 3.698 447 H ILE 69 HN ILE 69 -12.945 -0.054 1.228 448 HA ILE 69 HA ILE 69 -12.770 -2.511 2.967 449 HB ILE 69 HB ILE 69 -14.077 -2.129 0.256 450 HG12 ILE 69 HG12 ILE 69 -15.267 -2.974 2.915 451 HG13 ILE 69 HG11 ILE 69 -15.282 -1.309 2.335 452 HG21 ILE 69 HG21 ILE 69 -13.114 -4.310 0.229 453 HG22 ILE 69 HG22 ILE 69 -14.794 -4.553 0.706 454 HG23 ILE 69 HG23 ILE 69 -13.517 -4.590 1.922 455 HD11 ILE 69 HD11 ILE 69 -17.377 -2.677 1.832 456 HD12 ILE 69 HD12 ILE 69 -16.387 -3.605 0.705 457 HD13 ILE 69 HD13 ILE 69 -16.634 -1.878 0.448 458 H PHE 70 HN PHE 70 -10.787 -3.372 2.863 459 HA PHE 70 HA PHE 70 -9.454 -3.599 0.216 460 HD1 PHE 70 HD1 PHE 70 -6.597 -4.212 3.115 461 HD2 PHE 70 HD2 PHE 70 -9.373 -0.957 3.490 462 HE1 PHE 70 HE1 PHE 70 -6.238 -4.187 5.569 463 HE2 PHE 70 HE2 PHE 70 -9.016 -0.934 5.944 464 HZ PHE 70 HZ PHE 70 -7.445 -2.549 6.981 465 HB2 PHE 70 HB2 PHE 70 -7.306 -2.885 1.157 466 HB3 PHE 70 HB1 PHE 70 -8.500 -1.598 1.322 467 H SER 71 HN SER 71 -7.828 -5.271 0.157 468 HA SER 71 HA SER 71 -8.143 -7.328 2.324 469 HG SER 71 HG SER 71 -6.670 -9.163 0.818 470 HB2 SER 71 HB2 SER 71 -9.236 -8.117 0.315 471 HB3 SER 71 HB1 SER 71 -7.848 -7.670 -0.675 472 H SER 72 HN SER 72 -6.256 -8.157 3.146 473 HA SER 72 HA SER 72 -3.686 -7.521 1.753 474 HG SER 72 HG SER 72 -2.015 -7.515 3.337 475 HB2 SER 72 HB2 SER 72 -3.985 -5.789 3.446 476 HB3 SER 72 HB1 SER 72 -4.316 -7.009 4.673 477 H SER 73 HN SER 73 -2.060 -9.031 2.098 478 HA SER 73 HA SER 73 -2.953 -11.680 2.943 479 HG SER 73 HG SER 73 -0.900 -10.499 0.270 480 HB2 SER 73 HB2 SER 73 -0.154 -10.838 2.175 481 HB3 SER 73 HB1 SER 73 -0.851 -12.453 2.095 482 H GLU 74 HN GLU 74 -1.339 -12.976 4.342 483 HA GLU 74 HA GLU 74 -1.253 -11.828 6.969 484 HB2 GLU 74 HB2 GLU 74 -0.107 -13.893 7.598 485 HB3 GLU 74 HB1 GLU 74 -1.416 -14.274 6.478 486 HG2 GLU 74 HG2 GLU 74 0.263 -14.222 4.602 487 HG3 GLU 74 HG1 GLU 74 1.535 -14.043 5.810 488 H GLU 75 HN GLU 75 1.164 -12.202 4.418 489 HA GLU 75 HA GLU 75 3.450 -11.504 5.982 490 HB2 GLU 75 HB2 GLU 75 2.904 -11.203 3.016 491 HB3 GLU 75 HB1 GLU 75 4.482 -10.964 3.765 492 HG2 GLU 75 HG2 GLU 75 4.502 -13.257 4.578 493 HG3 GLU 75 HG1 GLU 75 2.871 -13.516 3.961 494 H LEU 76 HN LEU 76 1.039 -9.566 4.292 495 HA LEU 76 HA LEU 76 2.516 -7.069 4.882 496 HG LEU 76 HG LEU 76 0.095 -5.257 4.526 497 HB2 LEU 76 HB2 LEU 76 1.378 -7.320 2.703 498 HB3 LEU 76 HB1 LEU 76 -0.162 -7.529 3.530 499 HD11 LEU 76 HD11 LEU 76 2.681 -5.384 2.986 500 HD12 LEU 76 HD12 LEU 76 2.387 -4.783 4.617 501 HD13 LEU 76 HD13 LEU 76 1.889 -3.827 3.227 502 HD21 LEU 76 HD21 LEU 76 0.305 -5.437 1.508 503 HD22 LEU 76 HD22 LEU 76 -0.258 -4.018 2.392 504 HD23 LEU 76 HD23 LEU 76 -1.177 -5.522 2.462 505 H ASP 77 HN ASP 77 -0.095 -9.001 6.115 506 HA ASP 77 HA ASP 77 -1.475 -6.996 7.625 507 HB2 ASP 77 HB2 ASP 77 -2.291 -9.339 7.114 508 HB3 ASP 77 HB1 ASP 77 -1.171 -9.926 8.342 509 H LYS 78 HN LYS 78 1.316 -9.061 8.366 510 HA LYS 78 HA LYS 78 1.478 -8.311 11.146 511 HB2 LYS 78 HB2 LYS 78 3.686 -9.359 11.089 512 HB3 LYS 78 HB1 LYS 78 2.538 -10.354 10.194 513 HG2 LYS 78 HG2 LYS 78 3.320 -9.351 8.082 514 HG3 LYS 78 HG1 LYS 78 4.494 -8.380 8.964 515 HD2 LYS 78 HD2 LYS 78 5.522 -10.472 9.835 516 HD3 LYS 78 HD1 LYS 78 4.397 -11.405 8.849 517 HE2 LYS 78 HE2 LYS 78 5.293 -10.370 6.809 518 HE3 LYS 78 HE1 LYS 78 6.383 -9.379 7.773 519 HZ1 LYS 78 HZ1 LYS 78 6.431 -12.303 7.365 520 HZ2 LYS 78 HZ2 LYS 78 7.205 -11.591 8.698 521 HZ3 LYS 78 HZ3 LYS 78 7.674 -11.177 7.119 522 H MET 79 HN MET 79 2.210 -6.606 8.289 523 HA MET 79 HA MET 79 4.385 -5.003 9.402 524 HB2 MET 79 HB2 MET 79 2.650 -4.695 6.939 525 HB3 MET 79 HB1 MET 79 3.961 -3.592 7.344 526 HG2 MET 79 HG2 MET 79 4.302 -6.585 7.000 527 HG3 MET 79 HG1 MET 79 4.641 -5.402 5.739 528 HE1 MET 79 HE1 MET 79 7.578 -3.476 6.674 529 HE2 MET 79 HE2 MET 79 6.183 -2.890 7.574 530 HE3 MET 79 HE3 MET 79 5.972 -3.503 5.936 531 H PHE 80 HN PHE 80 1.031 -5.050 9.838 532 HA PHE 80 HA PHE 80 0.547 -2.212 10.044 533 HD1 PHE 80 HD1 PHE 80 -0.414 -4.961 8.418 534 HD2 PHE 80 HD2 PHE 80 -2.937 -1.933 10.124 535 HE1 PHE 80 HE1 PHE 80 -1.549 -4.675 6.234 536 HE2 PHE 80 HE2 PHE 80 -4.073 -1.647 7.940 537 HZ PHE 80 HZ PHE 80 -3.378 -3.017 5.993 538 HB2 PHE 80 HB2 PHE 80 -0.883 -4.687 11.004 539 HB3 PHE 80 HB1 PHE 80 -1.439 -3.089 11.505 540 H GLN 81 HN GLN 81 1.072 -0.850 11.658 541 HA GLN 81 HA GLN 81 2.133 -2.023 14.214 542 HB2 GLN 81 HB2 GLN 81 3.697 -0.599 12.857 543 HB3 GLN 81 HB1 GLN 81 2.580 0.749 13.062 544 HG2 GLN 81 HG2 GLN 81 4.331 0.912 14.747 545 HG3 GLN 81 HG1 GLN 81 2.815 0.503 15.548 546 HE21 GLN 81 HE21 GLN 81 3.607 -0.761 17.295 547 HE22 GLN 81 HE22 GLN 81 4.508 -2.184 17.087 548 H GLU 82 HN GLU 82 0.119 0.618 12.902 549 HA GLU 82 HA GLU 82 -0.903 1.139 15.626 550 HB2 GLU 82 HB2 GLU 82 -1.971 2.722 13.333 551 HB3 GLU 82 HB1 GLU 82 -1.416 3.268 14.914 552 HG2 GLU 82 HG2 GLU 82 0.333 2.430 12.583 553 HG3 GLU 82 HG1 GLU 82 0.116 4.067 13.199 554 HA PRO 83 HA PRO 83 -4.816 -0.861 15.195 555 HB2 PRO 83 HB2 PRO 83 -6.260 1.716 15.669 556 HB3 PRO 83 HB1 PRO 83 -6.343 0.195 16.580 557 HG2 PRO 83 HG2 PRO 83 -5.063 2.315 17.556 558 HG3 PRO 83 HG1 PRO 83 -4.444 0.672 17.803 559 HD2 PRO 83 HD2 PRO 83 -3.486 2.780 15.888 560 HD3 PRO 83 HD1 PRO 83 -2.560 1.612 16.854 561 H ARG 84 HN ARG 84 -6.411 -1.286 13.627 562 HA ARG 84 HA ARG 84 -6.056 -0.150 11.041 563 HE ARG 84 HE ARG 84 -9.395 -1.817 7.789 564 HB2 ARG 84 HB2 ARG 84 -6.910 -2.435 11.454 565 HB3 ARG 84 HB1 ARG 84 -8.389 -1.755 12.129 566 HG2 ARG 84 HG2 ARG 84 -8.899 -0.678 9.993 567 HG3 ARG 84 HG1 ARG 84 -7.390 -1.281 9.312 568 HD2 ARG 84 HD2 ARG 84 -8.155 -3.600 9.643 569 HD3 ARG 84 HD1 ARG 84 -9.659 -3.007 10.349 570 HH11 ARG 84 HH21 ARG 84 -9.786 -4.909 9.274 571 HH12 ARG 84 HH22 ARG 84 -10.631 -5.594 7.927 572 HH21 ARG 84 HH11 ARG 84 -10.494 -2.700 6.025 573 HH22 ARG 84 HH12 ARG 84 -11.032 -4.345 6.089 574 H LYS 85 HN LYS 85 -6.812 1.708 10.246 575 HA LYS 85 HA LYS 85 -9.410 2.794 11.227 576 HB2 LYS 85 HB2 LYS 85 -6.782 4.289 11.081 577 HB3 LYS 85 HB1 LYS 85 -8.346 5.093 11.193 578 HG2 LYS 85 HG2 LYS 85 -8.821 3.836 13.283 579 HG3 LYS 85 HG1 LYS 85 -7.215 3.110 13.185 580 HD2 LYS 85 HD2 LYS 85 -6.209 5.381 13.243 581 HD3 LYS 85 HD1 LYS 85 -7.825 6.068 13.423 582 HE2 LYS 85 HE2 LYS 85 -6.526 4.108 15.341 583 HE3 LYS 85 HE1 LYS 85 -6.712 5.840 15.617 584 HZ1 LYS 85 HZ1 LYS 85 -9.198 4.781 14.881 585 HZ2 LYS 85 HZ2 LYS 85 -8.746 5.476 16.364 586 HZ3 LYS 85 HZ3 LYS 85 -8.561 3.806 16.114 587 H GLY 86 HN GLY 86 -10.602 3.770 9.626 588 HA2 GLY 86 HA2 GLY 86 -9.860 3.217 6.882 589 HA3 GLY 86 HA1 GLY 86 -11.315 4.060 7.409 590 H TYR 87 HN TYR 87 -10.209 5.063 5.225 591 HA TYR 87 HA TYR 87 -8.110 6.965 5.478 592 HD1 TYR 87 HD2 TYR 87 -6.896 7.798 3.439 593 HD2 TYR 87 HD1 TYR 87 -10.946 9.148 2.964 594 HE1 TYR 87 HE2 TYR 87 -6.072 9.952 2.531 595 HE2 TYR 87 HE1 TYR 87 -10.122 11.302 2.057 596 HH TYR 87 HH TYR 87 -8.286 12.614 1.824 597 HB2 TYR 87 HB2 TYR 87 -8.963 6.209 3.311 598 HB3 TYR 87 HB1 TYR 87 -10.531 6.937 3.650 599 H ASP 88 HN ASP 88 -11.636 7.317 5.869 600 HA ASP 88 HA ASP 88 -11.536 10.143 6.432 601 HB2 ASP 88 HB2 ASP 88 -13.867 9.827 7.220 602 HB3 ASP 88 HB1 ASP 88 -13.594 9.067 5.653 603 H GLU 89 HN GLU 89 -11.315 7.248 8.438 604 HA GLU 89 HA GLU 89 -11.676 8.544 10.973 605 HB2 GLU 89 HB2 GLU 89 -10.217 6.013 10.180 606 HB3 GLU 89 HB1 GLU 89 -10.447 6.509 11.856 607 HG2 GLU 89 HG2 GLU 89 -12.695 6.064 9.866 608 HG3 GLU 89 HG1 GLU 89 -12.175 4.888 11.072 609 H ILE 90 HN ILE 90 -8.733 7.786 9.093 610 HA ILE 90 HA ILE 90 -6.913 8.816 11.056 611 HB ILE 90 HB ILE 90 -5.291 8.924 9.127 612 HG12 ILE 90 HG12 ILE 90 -7.631 7.829 7.565 613 HG13 ILE 90 HG11 ILE 90 -7.051 9.478 7.413 614 HG21 ILE 90 HG21 ILE 90 -6.912 6.365 9.309 615 HG22 ILE 90 HG22 ILE 90 -5.688 6.859 10.478 616 HG23 ILE 90 HG23 ILE 90 -5.225 6.504 8.814 617 HD11 ILE 90 HD11 ILE 90 -5.477 6.961 6.822 618 HD12 ILE 90 HD12 ILE 90 -4.813 8.594 6.777 619 HD13 ILE 90 HD13 ILE 90 -6.078 8.126 5.642 620 H LEU 91 HN LEU 91 -8.588 10.357 8.309 621 HA LEU 91 HA LEU 91 -7.189 12.849 8.442 622 HG LEU 91 HG LEU 91 -8.046 11.261 6.251 623 HB2 LEU 91 HB2 LEU 91 -10.000 12.151 7.563 624 HB3 LEU 91 HB1 LEU 91 -9.321 13.768 7.391 625 HD11 LEU 91 HD11 LEU 91 -10.048 13.201 5.109 626 HD12 LEU 91 HD12 LEU 91 -9.994 11.444 4.975 627 HD13 LEU 91 HD13 LEU 91 -8.870 12.434 4.047 628 HD21 LEU 91 HD21 LEU 91 -7.375 14.197 6.214 629 HD22 LEU 91 HD22 LEU 91 -7.015 13.246 4.774 630 HD23 LEU 91 HD23 LEU 91 -6.301 12.802 6.320 631 H GLU 92 HN GLU 92 -10.113 11.699 10.108 632 HA GLU 92 HA GLU 92 -10.656 14.164 11.491 633 HB2 GLU 92 HB2 GLU 92 -11.358 11.283 12.132 634 HB3 GLU 92 HB1 GLU 92 -11.991 12.669 13.022 635 HG2 GLU 92 HG2 GLU 92 -13.026 13.547 10.991 636 HG3 GLU 92 HG1 GLU 92 -12.319 12.243 10.037 637 H HIS 93 HN HIS 93 -8.729 11.295 12.253 638 HA HIS 93 HA HIS 93 -8.023 12.312 14.917 639 HD1 HIS 93 HD1 HIS 93 -9.770 9.301 13.298 640 HD2 HIS 93 HD2 HIS 93 -8.112 9.785 17.093 641 HE1 HIS 93 HE1 HIS 93 -11.450 8.354 14.941 642 HB2 HIS 93 HB2 HIS 93 -7.200 9.894 13.294 643 HB3 HIS 93 HB1 HIS 93 -6.465 10.275 14.851 644 H HIS 94 HN HIS 94 -6.797 14.144 14.762 645 HA HIS 94 HA HIS 94 -4.680 14.412 12.762 646 HD1 HIS 94 HD1 HIS 94 -3.940 16.602 11.628 647 HD2 HIS 94 HD2 HIS 94 -3.046 17.553 15.587 648 HE1 HIS 94 HE1 HIS 94 -1.821 17.986 11.570 649 HB2 HIS 94 HB2 HIS 94 -5.989 16.366 13.489 650 HB3 HIS 94 HB1 HIS 94 -5.386 16.159 15.134 651 H HIS 95 HN HIS 95 -2.435 14.863 13.379 652 HA HIS 95 HA HIS 95 -1.498 12.915 15.337 653 HD1 HIS 95 HD1 HIS 95 2.057 12.675 12.746 654 HD2 HIS 95 HD2 HIS 95 0.493 12.528 16.607 655 HE1 HIS 95 HE1 HIS 95 3.519 11.071 14.053 656 HB2 HIS 95 HB2 HIS 95 -0.448 13.622 13.026 657 HB3 HIS 95 HB1 HIS 95 0.303 14.909 13.966 658 H HIS 96 HN HIS 96 -1.034 13.331 17.405 659 HA HIS 96 HA HIS 96 -1.424 15.908 18.615 660 HD1 HIS 96 HD1 HIS 96 -2.357 16.011 21.179 661 HD2 HIS 96 HD2 HIS 96 1.549 14.641 21.669 662 HE1 HIS 96 HE1 HIS 96 -1.447 17.165 23.240 663 HB2 HIS 96 HB2 HIS 96 -1.703 13.756 19.820 664 HB3 HIS 96 HB1 HIS 96 0.029 13.460 19.672 665 H HIS 97 HN HIS 97 1.475 14.040 17.751 666 HA HIS 97 HA HIS 97 3.402 15.855 18.809 667 HD1 HIS 97 HD1 HIS 97 5.503 16.023 15.713 668 HD2 HIS 97 HD2 HIS 97 6.318 13.895 19.203 669 HE1 HIS 97 HE1 HIS 97 7.936 16.458 16.265 670 HB2 HIS 97 HB2 HIS 97 3.835 13.497 18.018 671 HB3 HIS 97 HB1 HIS 97 3.721 14.094 16.363 672 H HIS 98 HN HIS 98 1.891 15.631 15.597 673 HA HIS 98 HA HIS 98 2.915 18.392 14.993 674 HD1 HIS 98 HD1 HIS 98 5.128 18.679 14.031 675 HD2 HIS 98 HD2 HIS 98 4.825 14.569 13.404 676 HE1 HIS 98 HE1 HIS 98 7.458 17.735 14.338 677 HB2 HIS 98 HB2 HIS 98 2.511 16.042 13.116 678 HB3 HIS 98 HB1 HIS 98 2.887 17.683 12.593 Start of MODEL 13 1 HA ALA 12 HA ALA 12 -6.868 12.349 -12.220 2 H1 ALA 12 HN ALA 12 -9.662 13.382 -12.640 3 HB1 ALA 12 HB1 ALA 12 -8.168 14.628 -10.709 4 HB2 ALA 12 HB2 ALA 12 -7.166 14.884 -12.137 5 HB3 ALA 12 HB3 ALA 12 -6.470 14.154 -10.689 6 H PHE 13 HN PHE 13 -9.749 11.284 -11.828 7 HA PHE 13 HA PHE 13 -10.284 11.038 -9.029 8 HD1 PHE 13 HD2 PHE 13 -12.862 10.811 -8.591 9 HD2 PHE 13 HD1 PHE 13 -11.195 7.048 -9.822 10 HE1 PHE 13 HE2 PHE 13 -14.072 9.674 -6.750 11 HE2 PHE 13 HE1 PHE 13 -12.405 5.911 -7.978 12 HZ PHE 13 HZ PHE 13 -13.843 7.224 -6.442 13 HB2 PHE 13 HB2 PHE 13 -11.862 10.428 -10.907 14 HB3 PHE 13 HB1 PHE 13 -10.890 8.980 -11.169 15 H PHE 14 HN PHE 14 -8.400 8.998 -11.240 16 HA PHE 14 HA PHE 14 -7.741 6.996 -9.272 17 HD1 PHE 14 HD1 PHE 14 -7.563 4.557 -10.408 18 HD2 PHE 14 HD2 PHE 14 -8.392 7.663 -13.257 19 HE1 PHE 14 HE1 PHE 14 -9.384 3.182 -11.377 20 HE2 PHE 14 HE2 PHE 14 -10.214 6.287 -14.227 21 HZ PHE 14 HZ PHE 14 -10.710 4.046 -13.286 22 HB2 PHE 14 HB2 PHE 14 -6.443 7.783 -11.887 23 HB3 PHE 14 HB1 PHE 14 -5.919 6.404 -10.921 24 H ASN 15 HN ASN 15 -6.182 10.005 -10.280 25 HA ASN 15 HA ASN 15 -3.667 9.601 -8.985 26 HB2 ASN 15 HB2 ASN 15 -5.227 12.132 -9.558 27 HB3 ASN 15 HB1 ASN 15 -3.555 12.117 -8.997 28 HD21 ASN 15 HD21 ASN 15 -3.260 9.486 -10.696 29 HD22 ASN 15 HD22 ASN 15 -3.017 10.080 -12.266 30 H GLU 16 HN GLU 16 -6.659 11.123 -7.803 31 HA GLU 16 HA GLU 16 -5.591 11.749 -5.190 32 HB2 GLU 16 HB2 GLU 16 -8.033 11.982 -4.565 33 HB3 GLU 16 HB1 GLU 16 -7.543 12.947 -5.958 34 HG2 GLU 16 HG2 GLU 16 -8.423 11.245 -7.477 35 HG3 GLU 16 HG1 GLU 16 -8.875 10.225 -6.118 36 H GLN 17 HN GLN 17 -7.306 8.968 -6.529 37 HA GLN 17 HA GLN 17 -7.830 7.620 -4.060 38 HB2 GLN 17 HB2 GLN 17 -7.434 6.652 -6.896 39 HB3 GLN 17 HB1 GLN 17 -7.799 5.540 -5.577 40 HG2 GLN 17 HG2 GLN 17 -9.496 7.959 -6.244 41 HG3 GLN 17 HG1 GLN 17 -9.824 6.338 -6.859 42 HE21 GLN 17 HE21 GLN 17 -10.996 8.308 -4.583 43 HE22 GLN 17 HE22 GLN 17 -11.332 7.206 -3.337 44 H LYS 18 HN LYS 18 -5.055 7.515 -6.270 45 HA LYS 18 HA LYS 18 -3.589 5.496 -4.844 46 HB2 LYS 18 HB2 LYS 18 -2.705 7.742 -6.673 47 HB3 LYS 18 HB1 LYS 18 -1.598 6.523 -6.042 48 HG2 LYS 18 HG2 LYS 18 -2.946 4.746 -7.080 49 HG3 LYS 18 HG1 LYS 18 -4.083 5.950 -7.685 50 HD2 LYS 18 HD2 LYS 18 -2.249 7.001 -8.989 51 HD3 LYS 18 HD1 LYS 18 -1.146 5.749 -8.419 52 HE2 LYS 18 HE2 LYS 18 -3.675 5.254 -10.020 53 HE3 LYS 18 HE1 LYS 18 -2.034 5.207 -10.665 54 HZ1 LYS 18 HZ1 LYS 18 -1.750 3.165 -9.886 55 HZ2 LYS 18 HZ2 LYS 18 -3.407 3.128 -9.512 56 HZ3 LYS 18 HZ3 LYS 18 -2.278 3.599 -8.332 57 H GLU 19 HN GLU 19 -3.666 9.022 -4.642 58 HA GLU 19 HA GLU 19 -1.555 9.378 -2.760 59 HB2 GLU 19 HB2 GLU 19 -2.655 11.215 -4.043 60 HB3 GLU 19 HB1 GLU 19 -4.100 10.999 -3.056 61 HG2 GLU 19 HG2 GLU 19 -2.838 11.551 -1.032 62 HG3 GLU 19 HG1 GLU 19 -1.357 11.704 -1.977 63 H LYS 20 HN LYS 20 -5.041 8.865 -2.271 64 HA LYS 20 HA LYS 20 -5.017 9.066 0.585 65 HB2 LYS 20 HB2 LYS 20 -6.840 7.573 -1.315 66 HB3 LYS 20 HB1 LYS 20 -7.154 7.716 0.414 67 HG2 LYS 20 HG2 LYS 20 -7.195 10.161 0.222 68 HG3 LYS 20 HG1 LYS 20 -6.823 10.048 -1.497 69 HD2 LYS 20 HD2 LYS 20 -8.921 8.759 -1.842 70 HD3 LYS 20 HD1 LYS 20 -9.303 8.959 -0.132 71 HE2 LYS 20 HE2 LYS 20 -8.908 11.220 -2.116 72 HE3 LYS 20 HE1 LYS 20 -10.464 10.653 -1.509 73 HZ1 LYS 20 HZ1 LYS 20 -9.442 11.093 0.782 74 HZ2 LYS 20 HZ2 LYS 20 -9.959 12.427 -0.134 75 HZ3 LYS 20 HZ3 LYS 20 -8.307 12.039 -0.051 76 H VAL 21 HN VAL 21 -4.679 6.278 -1.586 77 HA VAL 21 HA VAL 21 -4.519 4.290 0.481 78 HB VAL 21 HB VAL 21 -3.433 4.331 -2.348 79 HG11 VAL 21 HG11 VAL 21 -3.450 1.786 -1.994 80 HG12 VAL 21 HG12 VAL 21 -3.535 2.138 -0.268 81 HG13 VAL 21 HG13 VAL 21 -2.147 2.680 -1.211 82 HG21 VAL 21 HG21 VAL 21 -5.399 2.964 -2.843 83 HG22 VAL 21 HG22 VAL 21 -5.913 4.465 -2.071 84 HG23 VAL 21 HG23 VAL 21 -5.862 2.967 -1.142 85 H THR 22 HN THR 22 -2.035 6.159 -1.238 86 HA THR 22 HA THR 22 0.246 4.911 -0.070 87 HB THR 22 HB THR 22 -0.136 7.776 -0.992 88 HG1 THR 22 HG1 THR 22 -0.051 6.911 -2.881 89 HG21 THR 22 HG21 THR 22 1.834 7.696 0.371 90 HG22 THR 22 HG22 THR 22 2.380 7.639 -1.305 91 HG23 THR 22 HG23 THR 22 2.339 6.163 -0.341 92 H LEU 23 HN LEU 23 -1.613 7.769 0.960 93 HA LEU 23 HA LEU 23 -0.035 8.320 3.284 94 HG LEU 23 HG LEU 23 -2.485 9.096 5.124 95 HB2 LEU 23 HB2 LEU 23 -1.618 9.963 2.345 96 HB3 LEU 23 HB1 LEU 23 -2.966 8.897 2.735 97 HD11 LEU 23 HD11 LEU 23 -0.712 10.967 5.693 98 HD12 LEU 23 HD12 LEU 23 -0.055 10.558 4.109 99 HD13 LEU 23 HD13 LEU 23 -0.171 9.324 5.364 100 HD21 LEU 23 HD21 LEU 23 -3.980 10.781 4.395 101 HD22 LEU 23 HD22 LEU 23 -2.712 11.665 3.547 102 HD23 LEU 23 HD23 LEU 23 -2.762 11.663 5.311 103 H TYR 24 HN TYR 24 -2.931 6.357 2.775 104 HA TYR 24 HA TYR 24 -3.413 5.637 5.493 105 HD1 TYR 24 HD1 TYR 24 -5.952 4.504 6.026 106 HD2 TYR 24 HD2 TYR 24 -3.628 1.881 3.538 107 HE1 TYR 24 HE1 TYR 24 -6.702 2.559 7.370 108 HE2 TYR 24 HE2 TYR 24 -4.383 -0.063 4.881 109 HH TYR 24 HH TYR 24 -6.848 0.270 7.361 110 HB2 TYR 24 HB2 TYR 24 -5.081 5.210 3.780 111 HB3 TYR 24 HB1 TYR 24 -3.968 4.163 2.902 112 H LEU 25 HN LEU 25 -1.519 4.002 2.963 113 HA LEU 25 HA LEU 25 -0.677 1.803 4.611 114 HG LEU 25 HG LEU 25 -1.724 1.998 1.916 115 HB2 LEU 25 HB2 LEU 25 0.548 3.031 2.130 116 HB3 LEU 25 HB1 LEU 25 1.121 1.534 2.863 117 HD11 LEU 25 HD11 LEU 25 0.591 0.559 0.586 118 HD12 LEU 25 HD12 LEU 25 -0.230 2.005 -0.004 119 HD13 LEU 25 HD13 LEU 25 -1.085 0.463 0.046 120 HD21 LEU 25 HD21 LEU 25 -1.512 -0.664 2.005 121 HD22 LEU 25 HD22 LEU 25 -1.922 0.256 3.445 122 HD23 LEU 25 HD23 LEU 25 -0.268 -0.303 3.199 123 H LYS 26 HN LYS 26 0.766 4.961 3.928 124 HA LYS 26 HA LYS 26 3.277 4.517 5.170 125 HB2 LYS 26 HB2 LYS 26 2.487 6.528 3.762 126 HB3 LYS 26 HB1 LYS 26 1.823 7.158 5.268 127 HG2 LYS 26 HG2 LYS 26 4.022 7.103 6.316 128 HG3 LYS 26 HG1 LYS 26 4.719 6.340 4.888 129 HD2 LYS 26 HD2 LYS 26 4.156 8.329 3.543 130 HD3 LYS 26 HD1 LYS 26 3.453 9.097 4.965 131 HE2 LYS 26 HE2 LYS 26 5.634 9.012 6.105 132 HE3 LYS 26 HE1 LYS 26 6.346 8.218 4.699 133 HZ1 LYS 26 HZ1 LYS 26 5.923 10.970 5.146 134 HZ2 LYS 26 HZ2 LYS 26 5.041 10.486 3.776 135 HZ3 LYS 26 HZ3 LYS 26 6.716 10.214 3.852 136 H HIS 27 HN HIS 27 0.258 5.784 6.558 137 HA HIS 27 HA HIS 27 1.353 6.143 9.207 138 HD1 HIS 27 HD1 HIS 27 1.234 8.134 9.635 139 HD2 HIS 27 HD2 HIS 27 -2.234 8.466 7.348 140 HE1 HIS 27 HE1 HIS 27 1.094 10.550 8.896 141 HB2 HIS 27 HB2 HIS 27 -1.470 5.910 8.154 142 HB3 HIS 27 HB1 HIS 27 -1.116 6.180 9.861 143 H ASN 28 HN ASN 28 -0.396 3.489 7.637 144 HA ASN 28 HA ASN 28 -0.767 1.887 9.982 145 HB2 ASN 28 HB2 ASN 28 -0.491 1.136 7.065 146 HB3 ASN 28 HB1 ASN 28 -0.903 -0.023 8.327 147 HD21 ASN 28 HD21 ASN 28 -2.707 1.340 9.911 148 HD22 ASN 28 HD22 ASN 28 -4.058 1.817 9.001 149 H ILE 29 HN ILE 29 1.863 2.068 7.609 150 HA ILE 29 HA ILE 29 3.451 0.259 9.376 151 HB ILE 29 HB ILE 29 3.902 0.791 6.442 152 HG12 ILE 29 HG12 ILE 29 2.774 -1.705 7.735 153 HG13 ILE 29 HG11 ILE 29 1.732 -0.430 7.110 154 HG21 ILE 29 HG21 ILE 29 5.283 -1.334 6.737 155 HG22 ILE 29 HG22 ILE 29 5.086 -1.130 8.476 156 HG23 ILE 29 HG23 ILE 29 5.942 0.094 7.538 157 HD11 ILE 29 HD11 ILE 29 2.301 -2.380 5.529 158 HD12 ILE 29 HD12 ILE 29 3.895 -1.642 5.402 159 HD13 ILE 29 HD13 ILE 29 2.462 -0.744 4.897 160 HA PRO 30 HA PRO 30 5.780 4.122 9.981 161 HB2 PRO 30 HB2 PRO 30 7.581 3.136 11.809 162 HB3 PRO 30 HB1 PRO 30 5.914 3.571 12.233 163 HG2 PRO 30 HG2 PRO 30 7.091 0.883 11.704 164 HG3 PRO 30 HG1 PRO 30 5.892 1.369 12.917 165 HD2 PRO 30 HD2 PRO 30 5.249 0.107 10.579 166 HD3 PRO 30 HD1 PRO 30 4.127 1.191 11.431 167 H ASP 31 HN ASP 31 6.983 1.076 8.891 168 HA ASP 31 HA ASP 31 9.625 2.204 8.115 169 HB2 ASP 31 HB2 ASP 31 8.453 -0.593 7.971 170 HB3 ASP 31 HB1 ASP 31 10.066 -0.174 7.390 171 H PHE 32 HN PHE 32 6.657 2.446 6.910 172 HA PHE 32 HA PHE 32 6.571 1.437 4.312 173 HD1 PHE 32 HD1 PHE 32 3.837 1.722 3.244 174 HD2 PHE 32 HD2 PHE 32 6.170 5.328 3.152 175 HE1 PHE 32 HE1 PHE 32 3.105 2.136 0.914 176 HE2 PHE 32 HE2 PHE 32 5.436 5.742 0.818 177 HZ PHE 32 HZ PHE 32 3.905 4.144 -0.300 178 HB2 PHE 32 HB2 PHE 32 4.726 2.698 5.293 179 HB3 PHE 32 HB1 PHE 32 5.687 4.176 5.263 180 H ASN 33 HN ASN 33 7.953 1.604 2.680 181 HA ASN 33 HA ASN 33 9.865 3.898 2.560 182 HB2 ASN 33 HB2 ASN 33 9.825 1.168 1.248 183 HB3 ASN 33 HB1 ASN 33 11.025 2.408 0.881 184 HD21 ASN 33 HD21 ASN 33 12.307 3.225 2.835 185 HD22 ASN 33 HD22 ASN 33 12.646 2.121 4.079 186 H THR 34 HN THR 34 8.290 1.832 0.105 187 HA THR 34 HA THR 34 7.160 4.243 -1.207 188 HB THR 34 HB THR 34 9.331 4.120 -2.252 189 HG1 THR 34 HG1 THR 34 7.075 3.317 -3.628 190 HG21 THR 34 HG21 THR 34 9.931 1.835 -1.623 191 HG22 THR 34 HG22 THR 34 10.093 2.035 -3.367 192 HG23 THR 34 HG23 THR 34 8.694 1.191 -2.703 193 H VAL 35 HN VAL 35 5.698 3.611 -3.019 194 HA VAL 35 HA VAL 35 4.657 0.809 -2.768 195 HB VAL 35 HB VAL 35 3.199 2.192 -1.418 196 HG11 VAL 35 HG11 VAL 35 3.906 4.357 -2.629 197 HG12 VAL 35 HG12 VAL 35 2.219 4.229 -2.140 198 HG13 VAL 35 HG13 VAL 35 2.673 3.948 -3.820 199 HG21 VAL 35 HG21 VAL 35 1.827 1.855 -4.090 200 HG22 VAL 35 HG22 VAL 35 1.118 1.715 -2.480 201 HG23 VAL 35 HG23 VAL 35 2.243 0.486 -3.058 202 H THR 36 HN THR 36 4.108 -0.109 -4.690 203 HA THR 36 HA THR 36 4.078 1.635 -7.138 204 HB THR 36 HB THR 36 5.254 -1.146 -6.852 205 HG1 THR 36 HG1 THR 36 6.555 1.268 -7.528 206 HG21 THR 36 HG21 THR 36 4.326 -0.932 -9.045 207 HG22 THR 36 HG22 THR 36 6.051 -0.602 -9.213 208 HG23 THR 36 HG23 THR 36 4.895 0.730 -9.194 209 H PHE 37 HN PHE 37 2.197 1.514 -8.165 210 HA PHE 37 HA PHE 37 0.255 -0.605 -7.500 211 HD1 PHE 37 HD2 PHE 37 -1.773 0.596 -6.275 212 HD2 PHE 37 HD1 PHE 37 0.777 3.599 -7.991 213 HE1 PHE 37 HE2 PHE 37 -1.984 1.955 -4.210 214 HE2 PHE 37 HE1 PHE 37 0.566 4.957 -5.924 215 HZ PHE 37 HZ PHE 37 -0.814 4.134 -4.034 216 HB2 PHE 37 HB2 PHE 37 -0.002 1.795 -9.333 217 HB3 PHE 37 HB1 PHE 37 -1.324 0.766 -8.780 218 H THR 38 HN THR 38 -0.192 -2.298 -8.811 219 HA THR 38 HA THR 38 1.182 -2.439 -11.469 220 HB THR 38 HB THR 38 0.957 -4.877 -11.217 221 HG1 THR 38 HG1 THR 38 0.179 -4.799 -8.609 222 HG21 THR 38 HG21 THR 38 2.964 -3.954 -10.286 223 HG22 THR 38 HG22 THR 38 2.352 -5.117 -9.110 224 HG23 THR 38 HG23 THR 38 2.110 -3.390 -8.850 225 H ASN 39 HN ASN 39 -1.866 -3.500 -9.885 226 HA ASN 39 HA ASN 39 -3.174 -3.476 -12.581 227 HB2 ASN 39 HB2 ASN 39 -4.165 -4.564 -9.932 228 HB3 ASN 39 HB1 ASN 39 -4.985 -4.728 -11.484 229 HD21 ASN 39 HD21 ASN 39 -3.162 -6.528 -9.439 230 HD22 ASN 39 HD22 ASN 39 -2.329 -7.502 -10.553 231 H GLU 40 HN GLU 40 -4.904 -2.174 -13.033 232 HA GLU 40 HA GLU 40 -6.271 -0.614 -10.993 233 HB2 GLU 40 HB2 GLU 40 -4.230 0.730 -11.180 234 HB3 GLU 40 HB1 GLU 40 -4.425 0.817 -12.932 235 HG2 GLU 40 HG2 GLU 40 -6.523 2.039 -12.677 236 HG3 GLU 40 HG1 GLU 40 -6.445 1.863 -10.925 237 H GLU 41 HN GLU 41 -8.263 -1.062 -11.776 238 HA GLU 41 HA GLU 41 -9.143 0.143 -14.262 239 HB2 GLU 41 HB2 GLU 41 -9.757 -1.914 -15.470 240 HB3 GLU 41 HB1 GLU 41 -8.012 -1.824 -15.235 241 HG2 GLU 41 HG2 GLU 41 -8.224 -3.297 -13.245 242 HG3 GLU 41 HG1 GLU 41 -9.957 -3.429 -13.545 243 H PHE 42 HN PHE 42 -11.470 -0.795 -14.778 244 HA PHE 42 HA PHE 42 -13.115 -0.293 -12.512 245 HD1 PHE 42 HD1 PHE 42 -15.363 1.142 -13.305 246 HD2 PHE 42 HD2 PHE 42 -12.704 0.096 -16.513 247 HE1 PHE 42 HE1 PHE 42 -15.447 3.477 -14.136 248 HE2 PHE 42 HE2 PHE 42 -12.786 2.432 -17.341 249 HZ PHE 42 HZ PHE 42 -14.157 4.123 -16.154 250 HB2 PHE 42 HB2 PHE 42 -13.720 -1.617 -15.158 251 HB3 PHE 42 HB1 PHE 42 -14.955 -1.227 -13.962 252 H ASN 43 HN ASN 43 -14.981 -2.037 -12.108 253 HA ASN 43 HA ASN 43 -14.294 -4.794 -12.098 254 HB2 ASN 43 HB2 ASN 43 -13.038 -3.239 -10.010 255 HB3 ASN 43 HB1 ASN 43 -14.206 -4.318 -9.253 256 HD21 ASN 43 HD21 ASN 43 -12.281 -4.913 -12.218 257 HD22 ASN 43 HD22 ASN 43 -11.457 -6.261 -11.599 258 HA PRO 44 HA PRO 44 -18.551 -5.350 -10.998 259 HB2 PRO 44 HB2 PRO 44 -17.759 -6.891 -8.550 260 HB3 PRO 44 HB1 PRO 44 -18.834 -7.367 -9.880 261 HG2 PRO 44 HG2 PRO 44 -16.362 -8.356 -9.652 262 HG3 PRO 44 HG1 PRO 44 -17.088 -8.017 -11.233 263 HD2 PRO 44 HD2 PRO 44 -14.968 -6.496 -9.769 264 HD3 PRO 44 HD1 PRO 44 -15.221 -6.704 -11.516 265 H ILE 45 HN ILE 45 -16.482 -4.705 -8.187 266 HA ILE 45 HA ILE 45 -18.678 -3.356 -6.752 267 HB ILE 45 HB ILE 45 -16.953 -4.819 -5.615 268 HG12 ILE 45 HG12 ILE 45 -16.870 -1.968 -4.603 269 HG13 ILE 45 HG11 ILE 45 -18.323 -2.961 -4.494 270 HG21 ILE 45 HG21 ILE 45 -14.722 -4.003 -5.283 271 HG22 ILE 45 HG22 ILE 45 -15.114 -2.442 -6.003 272 HG23 ILE 45 HG23 ILE 45 -15.040 -3.885 -7.014 273 HD11 ILE 45 HD11 ILE 45 -17.110 -3.175 -2.411 274 HD12 ILE 45 HD12 ILE 45 -15.618 -3.563 -3.268 275 HD13 ILE 45 HD13 ILE 45 -16.967 -4.699 -3.286 276 H GLY 46 HN GLY 46 -16.540 -2.507 -9.147 277 HA2 GLY 46 HA2 GLY 46 -17.007 -0.036 -9.800 278 HA3 GLY 46 HA1 GLY 46 -16.319 0.336 -8.220 279 H ILE 47 HN ILE 47 -14.100 0.132 -7.914 280 HA ILE 47 HA ILE 47 -12.458 -0.502 -10.342 281 HB ILE 47 HB ILE 47 -10.933 1.328 -9.649 282 HG12 ILE 47 HG12 ILE 47 -13.146 2.092 -7.715 283 HG13 ILE 47 HG11 ILE 47 -11.659 1.290 -7.217 284 HG21 ILE 47 HG21 ILE 47 -13.818 2.182 -10.041 285 HG22 ILE 47 HG22 ILE 47 -12.712 1.707 -11.330 286 HG23 ILE 47 HG23 ILE 47 -12.393 3.162 -10.385 287 HD11 ILE 47 HD11 ILE 47 -10.316 3.138 -7.836 288 HD12 ILE 47 HD12 ILE 47 -11.718 3.861 -7.048 289 HD13 ILE 47 HD13 ILE 47 -11.600 3.857 -8.806 290 H SER 48 HN SER 48 -10.456 -1.457 -9.963 291 HA SER 48 HA SER 48 -9.949 -2.380 -7.150 292 HG SER 48 HG SER 48 -9.726 -5.292 -7.307 293 HB2 SER 48 HB2 SER 48 -10.903 -4.186 -8.614 294 HB3 SER 48 HB1 SER 48 -9.510 -3.996 -9.673 295 H ILE 49 HN ILE 49 -7.949 -1.990 -6.471 296 HA ILE 49 HA ILE 49 -5.796 -1.400 -8.471 297 HB ILE 49 HB ILE 49 -6.391 0.061 -5.885 298 HG12 ILE 49 HG12 ILE 49 -6.270 1.077 -8.735 299 HG13 ILE 49 HG11 ILE 49 -7.770 0.575 -7.957 300 HG21 ILE 49 HG21 ILE 49 -4.003 -0.113 -6.099 301 HG22 ILE 49 HG22 ILE 49 -4.441 1.493 -6.683 302 HG23 ILE 49 HG23 ILE 49 -4.076 0.207 -7.832 303 HD11 ILE 49 HD11 ILE 49 -5.913 2.775 -7.008 304 HD12 ILE 49 HD12 ILE 49 -7.361 2.241 -6.156 305 HD13 ILE 49 HD13 ILE 49 -7.501 2.996 -7.743 306 H ASP 50 HN ASP 50 -3.956 -2.522 -8.124 307 HA ASP 50 HA ASP 50 -3.496 -3.747 -5.434 308 HB2 ASP 50 HB2 ASP 50 -4.526 -5.373 -7.124 309 HB3 ASP 50 HB1 ASP 50 -3.011 -5.235 -8.017 310 H GLY 51 HN GLY 51 -1.342 -3.963 -4.864 311 HA2 GLY 51 HA2 GLY 51 0.834 -3.517 -6.745 312 HA3 GLY 51 HA1 GLY 51 0.522 -2.092 -5.754 313 H TYR 52 HN TYR 52 2.767 -2.586 -4.989 314 HA TYR 52 HA TYR 52 2.634 -4.297 -2.563 315 HD1 TYR 52 HD2 TYR 52 6.549 -3.540 -3.975 316 HD2 TYR 52 HD1 TYR 52 3.471 -5.185 -6.482 317 HE1 TYR 52 HE2 TYR 52 7.742 -2.717 -5.989 318 HE2 TYR 52 HE1 TYR 52 4.670 -4.366 -8.491 319 HH TYR 52 HH TYR 52 6.417 -2.348 -8.894 320 HB2 TYR 52 HB2 TYR 52 4.925 -5.203 -3.117 321 HB3 TYR 52 HB1 TYR 52 3.629 -5.810 -4.143 322 H ILE 53 HN ILE 53 4.410 -3.843 -1.055 323 HA ILE 53 HA ILE 53 5.472 -1.040 -1.391 324 HB ILE 53 HB ILE 53 5.288 -0.831 1.067 325 HG12 ILE 53 HG12 ILE 53 3.768 -3.457 0.923 326 HG13 ILE 53 HG11 ILE 53 5.416 -3.313 1.530 327 HG21 ILE 53 HG21 ILE 53 2.722 -1.620 -0.339 328 HG22 ILE 53 HG22 ILE 53 3.474 -0.024 -0.374 329 HG23 ILE 53 HG23 ILE 53 2.825 -0.661 1.137 330 HD11 ILE 53 HD11 ILE 53 4.523 -1.556 3.152 331 HD12 ILE 53 HD12 ILE 53 4.013 -3.216 3.456 332 HD13 ILE 53 HD13 ILE 53 2.907 -2.082 2.680 333 H ASN 54 HN ASN 54 7.427 -0.565 -0.264 334 HA ASN 54 HA ASN 54 9.673 -0.951 0.210 335 HB2 ASN 54 HB2 ASN 54 8.703 -3.596 1.337 336 HB3 ASN 54 HB1 ASN 54 10.165 -2.713 1.782 337 HD21 ASN 54 HD21 ASN 54 9.615 -2.238 3.979 338 HD22 ASN 54 HD22 ASN 54 8.290 -1.268 4.410 339 H ASN 55 HN ASN 55 8.626 -1.774 -2.362 340 HA ASN 55 HA ASN 55 9.242 -3.046 -4.240 341 HB2 ASN 55 HB2 ASN 55 11.843 -2.871 -2.698 342 HB3 ASN 55 HB1 ASN 55 11.735 -3.535 -4.329 343 HD21 ASN 55 HD21 ASN 55 12.966 -0.914 -3.218 344 HD22 ASN 55 HD22 ASN 55 12.312 0.290 -4.221 345 H ASP 56 HN ASP 56 8.153 -4.502 -1.929 346 HA ASP 56 HA ASP 56 9.506 -7.161 -2.282 347 HB2 ASP 56 HB2 ASP 56 9.401 -6.200 0.047 348 HB3 ASP 56 HB1 ASP 56 7.644 -6.333 -0.046 349 H LYS 57 HN LYS 57 8.457 -8.202 -3.856 350 HA LYS 57 HA LYS 57 5.764 -7.809 -4.690 351 HB2 LYS 57 HB2 LYS 57 7.496 -10.289 -4.918 352 HB3 LYS 57 HB1 LYS 57 6.059 -9.954 -5.885 353 HG2 LYS 57 HG2 LYS 57 8.519 -8.179 -5.819 354 HG3 LYS 57 HG1 LYS 57 8.219 -9.400 -7.054 355 HD2 LYS 57 HD2 LYS 57 5.940 -8.175 -7.394 356 HD3 LYS 57 HD1 LYS 57 6.700 -6.845 -6.520 357 HE2 LYS 57 HE2 LYS 57 7.853 -8.145 -8.998 358 HE3 LYS 57 HE1 LYS 57 6.952 -6.629 -8.980 359 HZ1 LYS 57 HZ1 LYS 57 8.705 -6.059 -7.132 360 HZ2 LYS 57 HZ2 LYS 57 9.053 -5.834 -8.779 361 HZ3 LYS 57 HZ3 LYS 57 9.633 -7.208 -7.966 362 H ASN 58 HN ASN 58 7.154 -9.857 -2.207 363 HA ASN 58 HA ASN 58 4.890 -11.555 -1.769 364 HB2 ASN 58 HB2 ASN 58 6.924 -10.553 0.251 365 HB3 ASN 58 HB1 ASN 58 5.876 -11.955 0.449 366 HD21 ASN 58 HD21 ASN 58 8.953 -11.674 0.184 367 HD22 ASN 58 HD22 ASN 58 9.350 -12.790 -1.033 368 H LEU 59 HN LEU 59 5.760 -8.364 -0.505 369 HA LEU 59 HA LEU 59 3.381 -8.217 1.217 370 HG LEU 59 HG LEU 59 6.466 -7.987 1.513 371 HB2 LEU 59 HB2 LEU 59 5.363 -6.058 0.432 372 HB3 LEU 59 HB1 LEU 59 4.207 -5.975 1.762 373 HD11 LEU 59 HD11 LEU 59 6.191 -5.820 3.597 374 HD12 LEU 59 HD12 LEU 59 7.009 -5.515 2.064 375 HD13 LEU 59 HD13 LEU 59 7.625 -6.749 3.161 376 HD21 LEU 59 HD21 LEU 59 4.200 -7.626 3.470 377 HD22 LEU 59 HD22 LEU 59 5.734 -8.290 4.033 378 HD23 LEU 59 HD23 LEU 59 4.834 -9.114 2.764 379 H SER 60 HN SER 60 1.865 -8.612 -0.600 380 HA SER 60 HA SER 60 1.452 -6.246 -2.374 381 HG SER 60 HG SER 60 0.617 -9.707 -1.828 382 HB2 SER 60 HB2 SER 60 0.084 -7.697 -3.745 383 HB3 SER 60 HB1 SER 60 1.626 -8.491 -3.436 384 H PHE 61 HN PHE 61 -0.781 -5.539 -2.719 385 HA PHE 61 HA PHE 61 -2.731 -6.184 -0.584 386 HD1 PHE 61 HD2 PHE 61 -3.541 -2.444 -1.979 387 HD2 PHE 61 HD1 PHE 61 0.493 -3.401 -0.848 388 HE1 PHE 61 HE2 PHE 61 -2.698 -0.627 -3.442 389 HE2 PHE 61 HE1 PHE 61 1.333 -1.583 -2.311 390 HZ PHE 61 HZ PHE 61 -0.262 -0.195 -3.607 391 HB2 PHE 61 HB2 PHE 61 -3.016 -3.835 0.045 392 HB3 PHE 61 HB1 PHE 61 -1.361 -4.348 0.351 393 H THR 62 HN THR 62 -4.882 -5.395 -1.101 394 HA THR 62 HA THR 62 -5.244 -4.358 -3.886 395 HB THR 62 HB THR 62 -6.770 -6.696 -2.702 396 HG1 THR 62 HG1 THR 62 -4.928 -7.569 -3.346 397 HG21 THR 62 HG21 THR 62 -7.695 -6.834 -5.023 398 HG22 THR 62 HG22 THR 62 -6.872 -5.322 -5.405 399 HG23 THR 62 HG23 THR 62 -8.152 -5.347 -4.192 400 H ALA 63 HN ALA 63 -6.935 -2.932 -4.088 401 HA ALA 63 HA ALA 63 -8.678 -2.469 -1.679 402 HB1 ALA 63 HB1 ALA 63 -8.491 -0.115 -1.983 403 HB2 ALA 63 HB2 ALA 63 -7.752 -0.301 -3.574 404 HB3 ALA 63 HB3 ALA 63 -6.843 -0.726 -2.124 405 H GLY 64 HN GLY 64 -10.814 -1.820 -2.130 406 HA2 GLY 64 HA2 GLY 64 -11.705 -2.116 -4.990 407 HA3 GLY 64 HA1 GLY 64 -12.580 -2.870 -3.660 408 H LYS 65 HN LYS 65 -11.924 0.081 -5.325 409 HA LYS 65 HA LYS 65 -12.894 2.198 -5.239 410 HB2 LYS 65 HB2 LYS 65 -14.852 0.805 -5.861 411 HB3 LYS 65 HB1 LYS 65 -15.259 0.642 -4.153 412 HG2 LYS 65 HG2 LYS 65 -15.520 3.073 -3.959 413 HG3 LYS 65 HG1 LYS 65 -15.033 3.278 -5.641 414 HD2 LYS 65 HD2 LYS 65 -16.984 1.944 -6.366 415 HD3 LYS 65 HD1 LYS 65 -17.479 1.759 -4.683 416 HE2 LYS 65 HE2 LYS 65 -17.697 4.209 -4.474 417 HE3 LYS 65 HE1 LYS 65 -17.199 4.397 -6.155 418 HZ1 LYS 65 HZ1 LYS 65 -19.278 2.522 -6.046 419 HZ2 LYS 65 HZ2 LYS 65 -19.279 4.053 -6.780 420 HZ3 LYS 65 HZ3 LYS 65 -19.761 3.885 -5.160 421 H ASP 66 HN ASP 66 -12.216 3.669 -3.862 422 HA ASP 66 HA ASP 66 -11.865 4.883 -1.907 423 HB2 ASP 66 HB2 ASP 66 -14.318 4.980 -1.889 424 HB3 ASP 66 HB1 ASP 66 -14.391 3.452 -1.019 425 H VAL 67 HN VAL 67 -10.648 4.673 -0.085 426 HA VAL 67 HA VAL 67 -9.387 2.201 0.512 427 HB VAL 67 HB VAL 67 -9.670 4.591 2.361 428 HG11 VAL 67 HG11 VAL 67 -8.648 2.866 3.597 429 HG12 VAL 67 HG12 VAL 67 -7.271 3.757 2.951 430 HG13 VAL 67 HG13 VAL 67 -7.775 2.245 2.195 431 HG21 VAL 67 HG21 VAL 67 -7.556 5.374 1.291 432 HG22 VAL 67 HG22 VAL 67 -8.904 5.328 0.153 433 HG23 VAL 67 HG23 VAL 67 -7.684 4.055 0.127 434 H LYS 68 HN LYS 68 -12.528 2.971 1.061 435 HA LYS 68 HA LYS 68 -13.122 2.170 3.710 436 HB2 LYS 68 HB2 LYS 68 -14.778 3.100 2.080 437 HB3 LYS 68 HB1 LYS 68 -14.712 1.580 1.190 438 HG2 LYS 68 HG2 LYS 68 -15.520 0.365 3.169 439 HG3 LYS 68 HG1 LYS 68 -15.558 1.870 4.087 440 HD2 LYS 68 HD2 LYS 68 -17.211 2.798 2.499 441 HD3 LYS 68 HD1 LYS 68 -17.184 1.286 1.591 442 HE2 LYS 68 HE2 LYS 68 -19.103 1.327 3.133 443 HE3 LYS 68 HE1 LYS 68 -17.957 0.072 3.605 444 HZ1 LYS 68 HZ1 LYS 68 -18.911 1.856 5.303 445 HZ2 LYS 68 HZ2 LYS 68 -17.548 2.712 4.758 446 HZ3 LYS 68 HZ3 LYS 68 -17.365 1.176 5.462 447 H ILE 69 HN ILE 69 -12.577 0.260 0.775 448 HA ILE 69 HA ILE 69 -12.560 -2.234 2.460 449 HB ILE 69 HB ILE 69 -13.081 -1.880 -0.505 450 HG12 ILE 69 HG12 ILE 69 -14.885 -2.905 1.708 451 HG13 ILE 69 HG11 ILE 69 -14.909 -1.240 1.126 452 HG21 ILE 69 HG21 ILE 69 -13.629 -4.369 -0.303 453 HG22 ILE 69 HG22 ILE 69 -12.807 -4.326 1.256 454 HG23 ILE 69 HG23 ILE 69 -11.918 -3.953 -0.221 455 HD11 ILE 69 HD11 ILE 69 -16.645 -2.520 -0.018 456 HD12 ILE 69 HD12 ILE 69 -15.459 -3.723 -0.524 457 HD13 ILE 69 HD13 ILE 69 -15.385 -2.084 -1.171 458 H PHE 70 HN PHE 70 -10.557 -2.941 2.857 459 HA PHE 70 HA PHE 70 -8.493 -2.735 0.706 460 HD1 PHE 70 HD1 PHE 70 -7.164 -0.635 0.248 461 HD2 PHE 70 HD2 PHE 70 -5.517 -2.831 3.553 462 HE1 PHE 70 HE1 PHE 70 -4.908 -0.461 -0.763 463 HE2 PHE 70 HE2 PHE 70 -3.259 -2.654 2.542 464 HZ PHE 70 HZ PHE 70 -2.959 -1.470 0.383 465 HB2 PHE 70 HB2 PHE 70 -8.345 -0.880 2.536 466 HB3 PHE 70 HB1 PHE 70 -7.789 -2.177 3.593 467 H SER 71 HN SER 71 -7.581 -4.666 0.399 468 HA SER 71 HA SER 71 -7.815 -6.755 2.537 469 HG SER 71 HG SER 71 -9.611 -6.753 0.981 470 HB2 SER 71 HB2 SER 71 -7.610 -6.897 -0.470 471 HB3 SER 71 HB1 SER 71 -7.320 -8.306 0.548 472 H SER 72 HN SER 72 -5.970 -8.016 3.027 473 HA SER 72 HA SER 72 -3.382 -7.299 1.791 474 HG SER 72 HG SER 72 -2.540 -4.910 3.623 475 HB2 SER 72 HB2 SER 72 -4.112 -6.678 4.648 476 HB3 SER 72 HB1 SER 72 -2.436 -6.938 4.170 477 H SER 73 HN SER 73 -1.743 -8.814 2.261 478 HA SER 73 HA SER 73 -2.734 -11.501 2.850 479 HG SER 73 HG SER 73 0.215 -9.505 2.072 480 HB2 SER 73 HB2 SER 73 -0.514 -12.230 2.193 481 HB3 SER 73 HB1 SER 73 -1.067 -11.007 1.052 482 H GLU 74 HN GLU 74 -1.280 -12.915 4.267 483 HA GLU 74 HA GLU 74 -1.465 -12.092 6.978 484 HB2 GLU 74 HB2 GLU 74 -1.320 -14.458 6.199 485 HB3 GLU 74 HB1 GLU 74 0.367 -14.187 5.766 486 HG2 GLU 74 HG2 GLU 74 0.926 -13.694 8.087 487 HG3 GLU 74 HG1 GLU 74 -0.765 -13.846 8.555 488 H GLU 75 HN GLU 75 1.378 -12.193 4.817 489 HA GLU 75 HA GLU 75 3.292 -11.290 6.736 490 HB2 GLU 75 HB2 GLU 75 3.188 -10.992 3.726 491 HB3 GLU 75 HB1 GLU 75 4.598 -10.564 4.695 492 HG2 GLU 75 HG2 GLU 75 4.723 -12.873 5.546 493 HG3 GLU 75 HG1 GLU 75 3.299 -13.304 4.601 494 H LEU 76 HN LEU 76 1.422 -9.435 4.331 495 HA LEU 76 HA LEU 76 2.435 -6.881 5.140 496 HG LEU 76 HG LEU 76 -0.264 -5.321 4.767 497 HB2 LEU 76 HB2 LEU 76 1.299 -7.216 2.979 498 HB3 LEU 76 HB1 LEU 76 -0.204 -7.590 3.816 499 HD11 LEU 76 HD11 LEU 76 2.435 -5.145 3.433 500 HD12 LEU 76 HD12 LEU 76 1.954 -4.624 5.047 501 HD13 LEU 76 HD13 LEU 76 1.471 -3.682 3.639 502 HD21 LEU 76 HD21 LEU 76 -1.222 -5.810 2.484 503 HD22 LEU 76 HD22 LEU 76 0.278 -5.196 1.785 504 HD23 LEU 76 HD23 LEU 76 -0.763 -4.123 2.722 505 H ASP 77 HN ASP 77 -0.284 -8.838 6.222 506 HA ASP 77 HA ASP 77 -1.573 -6.897 7.873 507 HB2 ASP 77 HB2 ASP 77 -1.393 -9.912 8.011 508 HB3 ASP 77 HB1 ASP 77 -2.376 -8.979 9.135 509 H LYS 78 HN LYS 78 1.057 -9.186 8.538 510 HA LYS 78 HA LYS 78 1.311 -8.561 11.339 511 HB2 LYS 78 HB2 LYS 78 3.258 -9.694 9.323 512 HB3 LYS 78 HB1 LYS 78 3.655 -9.503 11.030 513 HG2 LYS 78 HG2 LYS 78 1.613 -10.875 11.578 514 HG3 LYS 78 HG1 LYS 78 1.428 -11.187 9.853 515 HD2 LYS 78 HD2 LYS 78 3.980 -11.800 11.365 516 HD3 LYS 78 HD1 LYS 78 2.686 -12.979 11.167 517 HE2 LYS 78 HE2 LYS 78 2.876 -12.539 8.649 518 HE3 LYS 78 HE1 LYS 78 4.385 -11.704 9.016 519 HZ1 LYS 78 HZ1 LYS 78 3.724 -14.527 9.641 520 HZ2 LYS 78 HZ2 LYS 78 5.142 -13.736 10.140 521 HZ3 LYS 78 HZ3 LYS 78 4.838 -13.979 8.486 522 H MET 79 HN MET 79 2.682 -7.166 8.414 523 HA MET 79 HA MET 79 4.659 -5.501 9.636 524 HB2 MET 79 HB2 MET 79 3.051 -5.259 7.080 525 HB3 MET 79 HB1 MET 79 4.260 -4.061 7.531 526 HG2 MET 79 HG2 MET 79 4.830 -7.027 7.304 527 HG3 MET 79 HG1 MET 79 5.132 -5.873 6.008 528 HE1 MET 79 HE1 MET 79 6.310 -3.883 6.162 529 HE2 MET 79 HE2 MET 79 7.874 -3.705 6.951 530 HE3 MET 79 HE3 MET 79 6.414 -3.180 7.782 531 H PHE 80 HN PHE 80 1.221 -5.023 9.001 532 HA PHE 80 HA PHE 80 1.001 -2.282 9.635 533 HD1 PHE 80 HD2 PHE 80 0.635 -3.747 7.417 534 HD2 PHE 80 HD1 PHE 80 -2.941 -2.099 9.135 535 HE1 PHE 80 HE2 PHE 80 0.016 -2.784 5.220 536 HE2 PHE 80 HE1 PHE 80 -3.552 -1.136 6.938 537 HZ PHE 80 HZ PHE 80 -2.074 -1.481 4.982 538 HB2 PHE 80 HB2 PHE 80 -0.851 -4.637 9.732 539 HB3 PHE 80 HB1 PHE 80 -1.382 -3.156 10.528 540 H GLN 81 HN GLN 81 0.818 -1.150 11.508 541 HA GLN 81 HA GLN 81 1.441 -2.609 14.049 542 HB2 GLN 81 HB2 GLN 81 3.083 -0.913 13.432 543 HB3 GLN 81 HB1 GLN 81 1.810 0.289 13.234 544 HG2 GLN 81 HG2 GLN 81 2.103 -1.147 15.870 545 HG3 GLN 81 HG1 GLN 81 3.173 0.199 15.490 546 HE21 GLN 81 HE21 GLN 81 1.177 0.275 17.601 547 HE22 GLN 81 HE22 GLN 81 0.042 1.467 17.186 548 H GLU 82 HN GLU 82 -0.986 -0.833 12.373 549 HA GLU 82 HA GLU 82 -2.630 -0.757 14.877 550 HB2 GLU 82 HB2 GLU 82 -3.657 1.393 13.655 551 HB3 GLU 82 HB1 GLU 82 -2.237 1.529 14.692 552 HG2 GLU 82 HG2 GLU 82 -0.756 1.494 12.807 553 HG3 GLU 82 HG1 GLU 82 -2.069 1.044 11.715 554 HA PRO 83 HA PRO 83 -5.721 -2.825 12.489 555 HB2 PRO 83 HB2 PRO 83 -8.035 -1.710 13.526 556 HB3 PRO 83 HB1 PRO 83 -7.061 -2.936 14.364 557 HG2 PRO 83 HG2 PRO 83 -7.079 0.031 14.722 558 HG3 PRO 83 HG1 PRO 83 -7.005 -1.250 15.946 559 HD2 PRO 83 HD2 PRO 83 -4.794 0.107 15.189 560 HD3 PRO 83 HD1 PRO 83 -4.726 -1.612 15.626 561 H ARG 84 HN ARG 84 -7.456 -2.500 10.910 562 HA ARG 84 HA ARG 84 -6.882 -0.408 9.060 563 HE ARG 84 HE ARG 84 -9.178 -4.504 9.080 564 HB2 ARG 84 HB2 ARG 84 -9.258 -2.269 9.298 565 HB3 ARG 84 HB1 ARG 84 -8.992 -1.195 7.923 566 HG2 ARG 84 HG2 ARG 84 -6.831 -2.272 7.474 567 HG3 ARG 84 HG1 ARG 84 -7.048 -3.319 8.876 568 HD2 ARG 84 HD2 ARG 84 -8.964 -3.234 6.525 569 HD3 ARG 84 HD1 ARG 84 -7.660 -4.411 6.689 570 HH11 ARG 84 HH21 ARG 84 -9.502 -5.128 5.696 571 HH12 ARG 84 HH22 ARG 84 -10.711 -6.349 5.912 572 HH21 ARG 84 HH11 ARG 84 -10.746 -6.087 9.364 573 HH22 ARG 84 HH12 ARG 84 -11.414 -6.891 7.984 574 H LYS 85 HN LYS 85 -7.743 1.571 8.770 575 HA LYS 85 HA LYS 85 -10.179 2.358 10.304 576 HB2 LYS 85 HB2 LYS 85 -7.524 3.814 10.310 577 HB3 LYS 85 HB1 LYS 85 -9.034 4.520 10.887 578 HG2 LYS 85 HG2 LYS 85 -9.265 2.649 12.504 579 HG3 LYS 85 HG1 LYS 85 -7.714 2.011 11.959 580 HD2 LYS 85 HD2 LYS 85 -6.598 4.089 12.657 581 HD3 LYS 85 HD1 LYS 85 -8.146 4.756 13.173 582 HE2 LYS 85 HE2 LYS 85 -7.254 3.927 15.181 583 HE3 LYS 85 HE1 LYS 85 -8.301 2.606 14.659 584 HZ1 LYS 85 HZ1 LYS 85 -6.153 1.760 15.296 585 HZ2 LYS 85 HZ2 LYS 85 -5.371 2.811 14.215 586 HZ3 LYS 85 HZ3 LYS 85 -6.360 1.562 13.624 587 H GLY 86 HN GLY 86 -11.317 4.085 9.368 588 HA2 GLY 86 HA2 GLY 86 -11.279 4.200 6.517 589 HA3 GLY 86 HA1 GLY 86 -12.179 5.299 7.563 590 H TYR 87 HN TYR 87 -10.727 5.931 5.136 591 HA TYR 87 HA TYR 87 -8.216 7.172 5.605 592 HD1 TYR 87 HD2 TYR 87 -6.680 7.709 3.548 593 HD2 TYR 87 HD1 TYR 87 -10.157 10.216 3.266 594 HE1 TYR 87 HE2 TYR 87 -5.255 9.611 2.845 595 HE2 TYR 87 HE1 TYR 87 -8.730 12.119 2.566 596 HH TYR 87 HH TYR 87 -6.577 12.861 2.468 597 HB2 TYR 87 HB2 TYR 87 -9.071 6.786 3.352 598 HB3 TYR 87 HB1 TYR 87 -10.409 7.895 3.648 599 H ASP 88 HN ASP 88 -11.521 8.434 5.852 600 HA ASP 88 HA ASP 88 -10.830 11.138 6.482 601 HB2 ASP 88 HB2 ASP 88 -13.246 9.440 7.144 602 HB3 ASP 88 HB1 ASP 88 -13.142 11.149 7.565 603 H GLU 89 HN GLU 89 -11.260 8.266 8.510 604 HA GLU 89 HA GLU 89 -11.179 9.536 11.059 605 HB2 GLU 89 HB2 GLU 89 -10.184 6.803 10.209 606 HB3 GLU 89 HB1 GLU 89 -10.395 7.307 11.884 607 HG2 GLU 89 HG2 GLU 89 -12.608 7.273 9.809 608 HG3 GLU 89 HG1 GLU 89 -12.340 6.005 11.004 609 H ILE 90 HN ILE 90 -8.497 8.152 9.124 610 HA ILE 90 HA ILE 90 -6.471 8.963 11.034 611 HB ILE 90 HB ILE 90 -4.874 8.450 9.173 612 HG12 ILE 90 HG12 ILE 90 -7.384 7.787 7.620 613 HG13 ILE 90 HG11 ILE 90 -6.428 9.239 7.348 614 HG21 ILE 90 HG21 ILE 90 -5.546 6.041 8.971 615 HG22 ILE 90 HG22 ILE 90 -7.090 6.457 9.714 616 HG23 ILE 90 HG23 ILE 90 -5.592 6.648 10.626 617 HD11 ILE 90 HD11 ILE 90 -5.210 6.471 7.218 618 HD12 ILE 90 HD12 ILE 90 -4.526 7.987 6.637 619 HD13 ILE 90 HD13 ILE 90 -5.901 7.268 5.806 620 H LEU 91 HN LEU 91 -7.951 10.481 8.238 621 HA LEU 91 HA LEU 91 -6.032 12.569 7.887 622 HG LEU 91 HG LEU 91 -8.092 14.867 7.385 623 HB2 LEU 91 HB2 LEU 91 -7.778 12.079 6.209 624 HB3 LEU 91 HB1 LEU 91 -9.021 12.586 7.351 625 HD11 LEU 91 HD11 LEU 91 -6.325 15.271 5.451 626 HD12 LEU 91 HD12 LEU 91 -5.957 13.566 5.711 627 HD13 LEU 91 HD13 LEU 91 -5.795 14.717 7.037 628 HD21 LEU 91 HD21 LEU 91 -9.780 14.555 5.733 629 HD22 LEU 91 HD22 LEU 91 -8.686 13.668 4.671 630 HD23 LEU 91 HD23 LEU 91 -8.472 15.403 4.910 631 H GLU 92 HN GLU 92 -8.977 12.353 9.844 632 HA GLU 92 HA GLU 92 -8.848 15.040 10.881 633 HB2 GLU 92 HB2 GLU 92 -10.152 12.510 11.928 634 HB3 GLU 92 HB1 GLU 92 -10.391 14.100 12.655 635 HG2 GLU 92 HG2 GLU 92 -11.305 14.954 10.548 636 HG3 GLU 92 HG1 GLU 92 -10.997 13.405 9.764 637 H HIS 93 HN HIS 93 -7.686 11.913 12.057 638 HA HIS 93 HA HIS 93 -6.197 11.359 13.779 639 HD1 HIS 93 HD1 HIS 93 -3.884 10.665 14.304 640 HD2 HIS 93 HD2 HIS 93 -3.327 14.716 15.118 641 HE1 HIS 93 HE1 HIS 93 -2.171 10.794 16.167 642 HB2 HIS 93 HB2 HIS 93 -4.631 12.575 12.320 643 HB3 HIS 93 HB1 HIS 93 -5.085 14.095 13.090 644 H HIS 94 HN HIS 94 -5.389 14.469 14.861 645 HA HIS 94 HA HIS 94 -6.809 14.013 17.404 646 HD1 HIS 94 HD1 HIS 94 -5.649 14.079 19.614 647 HD2 HIS 94 HD2 HIS 94 -5.663 18.132 18.641 648 HE1 HIS 94 HE1 HIS 94 -6.099 15.330 21.768 649 HB2 HIS 94 HB2 HIS 94 -4.428 14.848 17.219 650 HB3 HIS 94 HB1 HIS 94 -5.083 16.369 16.609 651 H HIS 95 HN HIS 95 -7.590 15.342 14.527 652 HA HIS 95 HA HIS 95 -9.184 16.776 13.674 653 HD1 HIS 95 HD1 HIS 95 -9.516 14.168 16.840 654 HD2 HIS 95 HD2 HIS 95 -11.824 17.565 17.557 655 HE1 HIS 95 HE1 HIS 95 -9.992 14.198 19.326 656 HB2 HIS 95 HB2 HIS 95 -11.333 16.895 14.918 657 HB3 HIS 95 HB1 HIS 95 -10.718 15.267 14.684 658 H HIS 96 HN HIS 96 -8.532 18.736 13.359 659 HA HIS 96 HA HIS 96 -8.050 20.713 15.456 660 HD1 HIS 96 HD1 HIS 96 -6.065 22.526 15.137 661 HD2 HIS 96 HD2 HIS 96 -8.947 23.806 12.410 662 HE1 HIS 96 HE1 HIS 96 -6.096 25.055 15.263 663 HB2 HIS 96 HB2 HIS 96 -6.831 20.709 13.278 664 HB3 HIS 96 HB1 HIS 96 -8.346 21.085 12.458 665 H HIS 97 HN HIS 97 -9.469 22.210 16.206 666 HA HIS 97 HA HIS 97 -12.305 21.956 15.522 667 HD1 HIS 97 HD1 HIS 97 -14.083 21.718 17.084 668 HD2 HIS 97 HD2 HIS 97 -13.104 25.663 18.004 669 HE1 HIS 97 HE1 HIS 97 -16.262 22.891 17.616 670 HB2 HIS 97 HB2 HIS 97 -11.401 22.332 17.860 671 HB3 HIS 97 HB1 HIS 97 -11.013 23.979 17.363 672 H HIS 98 HN HIS 98 -13.451 24.284 15.549 673 HA HIS 98 HA HIS 98 -14.009 26.116 14.218 674 HD1 HIS 98 HD1 HIS 98 -14.248 28.130 15.491 675 HD2 HIS 98 HD2 HIS 98 -10.522 27.013 16.990 676 HE1 HIS 98 HE1 HIS 98 -14.211 28.842 17.922 677 HB2 HIS 98 HB2 HIS 98 -10.999 26.467 14.330 678 HB3 HIS 98 HB1 HIS 98 -12.104 27.664 13.658 Start of MODEL 14 1 HA ALA 12 HA ALA 12 -6.523 13.085 -11.654 2 H1 ALA 12 HN ALA 12 -7.675 12.180 -14.102 3 HB1 ALA 12 HB1 ALA 12 -7.823 14.609 -13.022 4 HB2 ALA 12 HB2 ALA 12 -8.643 14.453 -11.467 5 HB3 ALA 12 HB3 ALA 12 -9.253 13.589 -12.880 6 H PHE 13 HN PHE 13 -9.381 11.074 -12.294 7 HA PHE 13 HA PHE 13 -10.282 10.870 -9.584 8 HD1 PHE 13 HD2 PHE 13 -12.710 10.511 -9.258 9 HD2 PHE 13 HD1 PHE 13 -11.051 6.786 -10.614 10 HE1 PHE 13 HE2 PHE 13 -14.055 9.296 -7.566 11 HE2 PHE 13 HE1 PHE 13 -12.395 5.572 -8.921 12 HZ PHE 13 HZ PHE 13 -13.897 6.826 -7.397 13 HB2 PHE 13 HB2 PHE 13 -11.603 10.169 -11.607 14 HB3 PHE 13 HB1 PHE 13 -10.535 8.774 -11.766 15 H PHE 14 HN PHE 14 -8.100 8.838 -11.505 16 HA PHE 14 HA PHE 14 -7.581 6.888 -9.460 17 HD1 PHE 14 HD2 PHE 14 -8.875 7.120 -12.192 18 HD2 PHE 14 HD1 PHE 14 -5.634 4.383 -11.505 19 HE1 PHE 14 HE2 PHE 14 -10.245 5.267 -13.096 20 HE2 PHE 14 HE1 PHE 14 -7.008 2.533 -12.409 21 HZ PHE 14 HZ PHE 14 -9.313 2.974 -13.207 22 HB2 PHE 14 HB2 PHE 14 -6.178 7.750 -11.989 23 HB3 PHE 14 HB1 PHE 14 -5.375 6.621 -10.896 24 H ASN 15 HN ASN 15 -6.040 9.947 -10.316 25 HA ASN 15 HA ASN 15 -3.761 9.736 -8.611 26 HB2 ASN 15 HB2 ASN 15 -5.337 12.131 -9.606 27 HB3 ASN 15 HB1 ASN 15 -3.849 12.290 -8.674 28 HD21 ASN 15 HD21 ASN 15 -4.071 13.196 -11.423 29 HD22 ASN 15 HD22 ASN 15 -3.032 12.240 -12.364 30 H GLU 16 HN GLU 16 -7.053 10.951 -8.017 31 HA GLU 16 HA GLU 16 -6.629 11.908 -5.354 32 HB2 GLU 16 HB2 GLU 16 -9.098 10.756 -6.699 33 HB3 GLU 16 HB1 GLU 16 -9.122 11.509 -5.105 34 HG2 GLU 16 HG2 GLU 16 -8.288 13.607 -6.052 35 HG3 GLU 16 HG1 GLU 16 -8.171 12.865 -7.647 36 H GLN 17 HN GLN 17 -7.804 8.756 -6.528 37 HA GLN 17 HA GLN 17 -7.947 7.524 -3.920 38 HB2 GLN 17 HB2 GLN 17 -7.691 6.318 -6.697 39 HB3 GLN 17 HB1 GLN 17 -8.064 5.398 -5.239 40 HG2 GLN 17 HG2 GLN 17 -10.110 6.666 -4.898 41 HG3 GLN 17 HG1 GLN 17 -9.720 7.728 -6.250 42 HE21 GLN 17 HE21 GLN 17 -12.071 5.852 -5.924 43 HE22 GLN 17 HE22 GLN 17 -12.009 4.828 -7.277 44 H LYS 18 HN LYS 18 -5.437 7.822 -6.361 45 HA LYS 18 HA LYS 18 -3.589 5.891 -5.356 46 HB2 LYS 18 HB2 LYS 18 -3.383 7.001 -7.577 47 HB3 LYS 18 HB1 LYS 18 -3.010 8.519 -6.764 48 HG2 LYS 18 HG2 LYS 18 -1.009 7.505 -5.750 49 HG3 LYS 18 HG1 LYS 18 -1.394 5.967 -6.523 50 HD2 LYS 18 HD2 LYS 18 -1.156 6.998 -8.740 51 HD3 LYS 18 HD1 LYS 18 -0.824 8.561 -7.994 52 HE2 LYS 18 HE2 LYS 18 1.184 7.629 -6.922 53 HE3 LYS 18 HE1 LYS 18 0.852 6.062 -7.650 54 HZ1 LYS 18 HZ1 LYS 18 1.289 8.561 -9.187 55 HZ2 LYS 18 HZ2 LYS 18 1.125 6.994 -9.820 56 HZ3 LYS 18 HZ3 LYS 18 2.490 7.400 -8.894 57 H GLU 19 HN GLU 19 -3.963 9.360 -4.668 58 HA GLU 19 HA GLU 19 -1.754 9.555 -2.836 59 HB2 GLU 19 HB2 GLU 19 -4.269 11.222 -3.173 60 HB3 GLU 19 HB1 GLU 19 -2.948 11.664 -2.090 61 HG2 GLU 19 HG2 GLU 19 -1.381 11.700 -3.976 62 HG3 GLU 19 HG1 GLU 19 -2.660 11.185 -5.073 63 H LYS 20 HN LYS 20 -5.207 8.891 -2.385 64 HA LYS 20 HA LYS 20 -5.237 8.963 0.471 65 HB2 LYS 20 HB2 LYS 20 -6.956 7.461 -1.520 66 HB3 LYS 20 HB1 LYS 20 -7.291 7.493 0.211 67 HG2 LYS 20 HG2 LYS 20 -7.445 9.946 0.150 68 HG3 LYS 20 HG1 LYS 20 -7.085 9.934 -1.577 69 HD2 LYS 20 HD2 LYS 20 -9.128 8.660 -2.025 70 HD3 LYS 20 HD1 LYS 20 -9.472 8.567 -0.297 71 HE2 LYS 20 HE2 LYS 20 -10.793 10.365 -1.312 72 HE3 LYS 20 HE1 LYS 20 -9.600 11.046 -0.208 73 HZ1 LYS 20 HZ1 LYS 20 -8.891 10.702 -3.035 74 HZ2 LYS 20 HZ2 LYS 20 -8.336 11.852 -1.915 75 HZ3 LYS 20 HZ3 LYS 20 -9.885 12.004 -2.596 76 H VAL 21 HN VAL 21 -4.667 6.283 -1.786 77 HA VAL 21 HA VAL 21 -4.476 4.238 0.225 78 HB VAL 21 HB VAL 21 -3.291 4.401 -2.565 79 HG11 VAL 21 HG11 VAL 21 -3.435 2.145 -0.553 80 HG12 VAL 21 HG12 VAL 21 -2.008 2.765 -1.384 81 HG13 VAL 21 HG13 VAL 21 -3.228 1.860 -2.280 82 HG21 VAL 21 HG21 VAL 21 -5.208 3.111 -3.230 83 HG22 VAL 21 HG22 VAL 21 -5.824 4.442 -2.250 84 HG23 VAL 21 HG23 VAL 21 -5.676 2.829 -1.552 85 H THR 22 HN THR 22 -2.042 6.308 -1.331 86 HA THR 22 HA THR 22 0.268 5.128 -0.155 87 HB THR 22 HB THR 22 -0.239 8.019 -0.938 88 HG1 THR 22 HG1 THR 22 -0.163 7.165 -2.838 89 HG21 THR 22 HG21 THR 22 1.680 8.105 0.413 90 HG22 THR 22 HG22 THR 22 2.341 7.915 -1.211 91 HG23 THR 22 HG23 THR 22 2.252 6.525 -0.127 92 H LEU 23 HN LEU 23 -1.755 7.833 0.977 93 HA LEU 23 HA LEU 23 -0.270 8.333 3.377 94 HG LEU 23 HG LEU 23 -2.538 9.015 5.242 95 HB2 LEU 23 HB2 LEU 23 -1.942 9.916 2.401 96 HB3 LEU 23 HB1 LEU 23 -3.228 8.801 2.859 97 HD11 LEU 23 HD11 LEU 23 -0.282 9.586 5.315 98 HD12 LEU 23 HD12 LEU 23 -1.007 11.164 5.595 99 HD13 LEU 23 HD13 LEU 23 -0.416 10.740 3.988 100 HD21 LEU 23 HD21 LEU 23 -4.317 10.457 4.625 101 HD22 LEU 23 HD22 LEU 23 -3.257 11.498 3.674 102 HD23 LEU 23 HD23 LEU 23 -3.162 11.516 5.434 103 H TYR 24 HN TYR 24 -3.053 6.263 2.676 104 HA TYR 24 HA TYR 24 -3.633 5.437 5.335 105 HD1 TYR 24 HD1 TYR 24 -5.896 4.177 5.875 106 HD2 TYR 24 HD2 TYR 24 -3.690 1.676 3.169 107 HE1 TYR 24 HE1 TYR 24 -6.565 2.177 7.176 108 HE2 TYR 24 HE2 TYR 24 -4.364 -0.326 4.468 109 HH TYR 24 HH TYR 24 -5.163 -0.538 7.227 110 HB2 TYR 24 HB2 TYR 24 -5.177 4.932 3.528 111 HB3 TYR 24 HB1 TYR 24 -3.953 3.976 2.692 112 H LEU 25 HN LEU 25 -1.450 4.032 2.910 113 HA LEU 25 HA LEU 25 -0.606 1.782 4.455 114 HG LEU 25 HG LEU 25 -1.351 2.121 1.737 115 HB2 LEU 25 HB2 LEU 25 0.793 3.362 2.281 116 HB3 LEU 25 HB1 LEU 25 1.419 1.853 2.938 117 HD11 LEU 25 HD11 LEU 25 1.228 1.180 0.448 118 HD12 LEU 25 HD12 LEU 25 0.320 2.628 0.017 119 HD13 LEU 25 HD13 LEU 25 -0.374 1.033 -0.273 120 HD21 LEU 25 HD21 LEU 25 0.349 -0.163 2.750 121 HD22 LEU 25 HD22 LEU 25 -0.819 -0.457 1.462 122 HD23 LEU 25 HD23 LEU 25 -1.364 0.156 3.018 123 H LYS 26 HN LYS 26 0.731 5.052 4.164 124 HA LYS 26 HA LYS 26 3.057 4.610 5.752 125 HB2 LYS 26 HB2 LYS 26 1.434 7.106 5.215 126 HB3 LYS 26 HB1 LYS 26 2.956 7.124 6.107 127 HG2 LYS 26 HG2 LYS 26 4.103 6.105 4.174 128 HG3 LYS 26 HG1 LYS 26 2.582 6.088 3.280 129 HD2 LYS 26 HD2 LYS 26 2.457 8.543 3.423 130 HD3 LYS 26 HD1 LYS 26 3.962 8.572 4.343 131 HE2 LYS 26 HE2 LYS 26 5.154 7.553 2.441 132 HE3 LYS 26 HE1 LYS 26 3.653 7.512 1.518 133 HZ1 LYS 26 HZ1 LYS 26 3.704 9.722 1.155 134 HZ2 LYS 26 HZ2 LYS 26 5.375 9.515 1.386 135 HZ3 LYS 26 HZ3 LYS 26 4.402 10.080 2.659 136 H HIS 27 HN HIS 27 -0.208 5.616 6.647 137 HA HIS 27 HA HIS 27 0.367 6.115 9.422 138 HD1 HIS 27 HD1 HIS 27 -3.100 8.082 9.900 139 HD2 HIS 27 HD2 HIS 27 -0.188 7.892 6.927 140 HE1 HIS 27 HE1 HIS 27 -2.707 10.464 9.131 141 HB2 HIS 27 HB2 HIS 27 -2.172 5.495 7.902 142 HB3 HIS 27 HB1 HIS 27 -2.175 5.767 9.644 143 H ASN 28 HN ASN 28 -0.598 3.200 7.662 144 HA ASN 28 HA ASN 28 -0.760 1.659 10.201 145 HB2 ASN 28 HB2 ASN 28 -1.286 0.879 7.318 146 HB3 ASN 28 HB1 ASN 28 -1.480 -0.201 8.698 147 HD21 ASN 28 HD21 ASN 28 -3.123 2.064 6.763 148 HD22 ASN 28 HD22 ASN 28 -4.448 2.337 7.788 149 H ILE 29 HN ILE 29 1.607 2.619 8.122 150 HA ILE 29 HA ILE 29 3.345 0.317 8.899 151 HB ILE 29 HB ILE 29 3.330 1.479 6.105 152 HG12 ILE 29 HG12 ILE 29 2.080 -1.076 7.181 153 HG13 ILE 29 HG11 ILE 29 1.207 0.303 6.510 154 HG21 ILE 29 HG21 ILE 29 5.430 0.434 7.047 155 HG22 ILE 29 HG22 ILE 29 4.794 -0.377 5.616 156 HG23 ILE 29 HG23 ILE 29 4.529 -1.072 7.215 157 HD11 ILE 29 HD11 ILE 29 3.009 -1.648 5.077 158 HD12 ILE 29 HD12 ILE 29 2.617 -0.074 4.382 159 HD13 ILE 29 HD13 ILE 29 1.331 -1.235 4.717 160 HA PRO 30 HA PRO 30 5.240 4.447 9.936 161 HB2 PRO 30 HB2 PRO 30 6.645 2.576 11.819 162 HB3 PRO 30 HB1 PRO 30 5.912 4.160 12.148 163 HG2 PRO 30 HG2 PRO 30 4.726 1.911 12.932 164 HG3 PRO 30 HG1 PRO 30 3.779 3.281 12.323 165 HD2 PRO 30 HD2 PRO 30 4.478 0.711 10.941 166 HD3 PRO 30 HD1 PRO 30 2.985 1.670 10.850 167 H ASP 31 HN ASP 31 6.567 1.272 9.257 168 HA ASP 31 HA ASP 31 9.257 2.330 8.631 169 HB2 ASP 31 HB2 ASP 31 8.048 -0.453 8.481 170 HB3 ASP 31 HB1 ASP 31 9.718 -0.084 8.050 171 H PHE 32 HN PHE 32 6.576 2.812 7.094 172 HA PHE 32 HA PHE 32 6.579 1.643 4.556 173 HD1 PHE 32 HD1 PHE 32 7.068 5.188 3.036 174 HD2 PHE 32 HD2 PHE 32 3.768 2.452 3.308 175 HE1 PHE 32 HE1 PHE 32 6.601 5.509 0.620 176 HE2 PHE 32 HE2 PHE 32 3.301 2.773 0.897 177 HZ PHE 32 HZ PHE 32 4.718 4.299 -0.446 178 HB2 PHE 32 HB2 PHE 32 4.848 3.219 5.282 179 HB3 PHE 32 HB1 PHE 32 6.009 4.545 5.241 180 H ASN 33 HN ASN 33 7.904 1.694 2.874 181 HA ASN 33 HA ASN 33 10.173 3.668 2.838 182 HB2 ASN 33 HB2 ASN 33 10.748 1.217 3.160 183 HB3 ASN 33 HB1 ASN 33 10.066 0.919 1.561 184 HD21 ASN 33 HD21 ASN 33 12.227 0.308 0.742 185 HD22 ASN 33 HD22 ASN 33 13.397 1.496 0.431 186 H THR 34 HN THR 34 8.630 1.475 0.484 187 HA THR 34 HA THR 34 7.951 3.814 -1.235 188 HB THR 34 HB THR 34 10.127 3.178 -2.056 189 HG1 THR 34 HG1 THR 34 9.391 2.155 -4.123 190 HG21 THR 34 HG21 THR 34 10.524 0.813 -2.832 191 HG22 THR 34 HG22 THR 34 9.024 0.355 -2.024 192 HG23 THR 34 HG23 THR 34 10.378 0.982 -1.083 193 H VAL 35 HN VAL 35 6.490 3.221 -2.988 194 HA VAL 35 HA VAL 35 5.012 0.652 -2.580 195 HB VAL 35 HB VAL 35 3.768 2.340 -1.345 196 HG11 VAL 35 HG11 VAL 35 3.438 3.952 -3.876 197 HG12 VAL 35 HG12 VAL 35 4.777 4.264 -2.773 198 HG13 VAL 35 HG13 VAL 35 3.114 4.432 -2.212 199 HG21 VAL 35 HG21 VAL 35 2.605 0.644 -2.890 200 HG22 VAL 35 HG22 VAL 35 2.338 2.002 -3.983 201 HG23 VAL 35 HG23 VAL 35 1.649 2.028 -2.360 202 H THR 36 HN THR 36 4.276 -0.242 -4.448 203 HA THR 36 HA THR 36 4.670 1.296 -7.003 204 HB THR 36 HB THR 36 5.191 -1.650 -6.494 205 HG1 THR 36 HG1 THR 36 6.903 0.519 -7.132 206 HG21 THR 36 HG21 THR 36 5.156 0.064 -8.976 207 HG22 THR 36 HG22 THR 36 4.415 -1.515 -8.714 208 HG23 THR 36 HG23 THR 36 6.165 -1.378 -8.884 209 H PHE 37 HN PHE 37 2.875 1.489 -8.136 210 HA PHE 37 HA PHE 37 0.463 -0.042 -7.366 211 HD1 PHE 37 HD1 PHE 37 -1.723 1.327 -6.793 212 HD2 PHE 37 HD2 PHE 37 1.658 3.866 -7.498 213 HE1 PHE 37 HE1 PHE 37 -2.240 2.584 -4.717 214 HE2 PHE 37 HE2 PHE 37 1.152 5.121 -5.421 215 HZ PHE 37 HZ PHE 37 -0.798 4.481 -4.030 216 HB2 PHE 37 HB2 PHE 37 0.955 2.335 -9.172 217 HB3 PHE 37 HB1 PHE 37 -0.616 1.539 -9.064 218 H THR 38 HN THR 38 -0.471 -1.555 -8.606 219 HA THR 38 HA THR 38 0.758 -2.192 -11.275 220 HB THR 38 HB THR 38 -0.098 -4.548 -10.762 221 HG1 THR 38 HG1 THR 38 -0.832 -4.967 -8.812 222 HG21 THR 38 HG21 THR 38 2.018 -3.393 -8.925 223 HG22 THR 38 HG22 THR 38 2.280 -3.873 -10.601 224 HG23 THR 38 HG23 THR 38 1.860 -5.087 -9.393 225 H ASN 39 HN ASN 39 -2.178 -1.867 -9.356 226 HA ASN 39 HA ASN 39 -4.453 -1.970 -9.986 227 HB2 ASN 39 HB2 ASN 39 -4.928 -0.282 -11.804 228 HB3 ASN 39 HB1 ASN 39 -3.939 0.313 -10.473 229 HD21 ASN 39 HD21 ASN 39 -1.910 1.176 -11.003 230 HD22 ASN 39 HD22 ASN 39 -1.196 1.064 -12.538 231 H GLU 40 HN GLU 40 -4.963 -4.015 -10.609 232 HA GLU 40 HA GLU 40 -5.387 -4.451 -13.472 233 HB2 GLU 40 HB2 GLU 40 -4.127 -6.578 -13.546 234 HB3 GLU 40 HB1 GLU 40 -3.063 -5.210 -13.224 235 HG2 GLU 40 HG2 GLU 40 -3.133 -5.725 -10.804 236 HG3 GLU 40 HG1 GLU 40 -4.177 -7.108 -11.135 237 H GLU 41 HN GLU 41 -7.073 -4.200 -11.138 238 HA GLU 41 HA GLU 41 -8.504 -6.800 -11.367 239 HB2 GLU 41 HB2 GLU 41 -7.683 -5.538 -8.743 240 HB3 GLU 41 HB1 GLU 41 -8.947 -6.761 -8.874 241 HG2 GLU 41 HG2 GLU 41 -7.339 -8.316 -9.918 242 HG3 GLU 41 HG1 GLU 41 -6.073 -7.099 -9.779 243 H PHE 42 HN PHE 42 -10.516 -6.352 -11.919 244 HA PHE 42 HA PHE 42 -11.730 -3.725 -11.115 245 HD1 PHE 42 HD2 PHE 42 -14.881 -5.445 -12.852 246 HD2 PHE 42 HD1 PHE 42 -12.507 -1.889 -13.261 247 HE1 PHE 42 HE2 PHE 42 -16.948 -4.076 -12.947 248 HE2 PHE 42 HE1 PHE 42 -14.573 -0.519 -13.352 249 HZ PHE 42 HZ PHE 42 -16.794 -1.613 -13.198 250 HB2 PHE 42 HB2 PHE 42 -11.520 -4.091 -13.557 251 HB3 PHE 42 HB1 PHE 42 -12.491 -5.559 -13.406 252 H ASN 43 HN ASN 43 -13.212 -3.849 -9.602 253 HA ASN 43 HA ASN 43 -14.581 -6.436 -9.109 254 HB2 ASN 43 HB2 ASN 43 -14.380 -4.044 -7.279 255 HB3 ASN 43 HB1 ASN 43 -15.034 -5.632 -6.877 256 HD21 ASN 43 HD21 ASN 43 -13.284 -5.678 -5.163 257 HD22 ASN 43 HD22 ASN 43 -11.715 -6.139 -5.615 258 HA PRO 44 HA PRO 44 -18.370 -4.741 -10.868 259 HB2 PRO 44 HB2 PRO 44 -19.644 -6.147 -8.534 260 HB3 PRO 44 HB1 PRO 44 -20.051 -6.239 -10.259 261 HG2 PRO 44 HG2 PRO 44 -18.716 -8.200 -9.012 262 HG3 PRO 44 HG1 PRO 44 -18.396 -7.772 -10.703 263 HD2 PRO 44 HD2 PRO 44 -16.731 -7.255 -8.292 264 HD3 PRO 44 HD1 PRO 44 -16.260 -7.433 -9.998 265 H ILE 45 HN ILE 45 -17.697 -4.520 -7.410 266 HA ILE 45 HA ILE 45 -19.670 -2.413 -6.912 267 HB ILE 45 HB ILE 45 -18.574 -2.328 -4.660 268 HG12 ILE 45 HG12 ILE 45 -16.797 -4.527 -5.770 269 HG13 ILE 45 HG11 ILE 45 -16.263 -2.866 -5.514 270 HG21 ILE 45 HG21 ILE 45 -19.138 -5.140 -5.653 271 HG22 ILE 45 HG22 ILE 45 -20.366 -3.979 -5.145 272 HG23 ILE 45 HG23 ILE 45 -19.200 -4.599 -3.976 273 HD11 ILE 45 HD11 ILE 45 -17.226 -4.822 -3.414 274 HD12 ILE 45 HD12 ILE 45 -16.973 -3.106 -3.099 275 HD13 ILE 45 HD13 ILE 45 -15.613 -4.126 -3.569 276 H GLY 46 HN GLY 46 -16.583 -2.509 -8.297 277 HA2 GLY 46 HA2 GLY 46 -16.283 0.078 -9.058 278 HA3 GLY 46 HA1 GLY 46 -15.753 0.170 -7.380 279 H ILE 47 HN ILE 47 -13.799 0.876 -8.835 280 HA ILE 47 HA ILE 47 -12.226 -1.325 -9.964 281 HB ILE 47 HB ILE 47 -10.544 0.448 -10.412 282 HG12 ILE 47 HG12 ILE 47 -12.558 2.286 -9.068 283 HG13 ILE 47 HG11 ILE 47 -11.002 1.824 -8.384 284 HG21 ILE 47 HG21 ILE 47 -11.793 1.537 -12.106 285 HG22 ILE 47 HG22 ILE 47 -13.286 1.460 -11.170 286 HG23 ILE 47 HG23 ILE 47 -12.608 -0.009 -11.869 287 HD11 ILE 47 HD11 ILE 47 -11.492 3.419 -10.910 288 HD12 ILE 47 HD12 ILE 47 -9.913 2.765 -10.469 289 HD13 ILE 47 HD13 ILE 47 -10.692 3.962 -9.435 290 H SER 48 HN SER 48 -10.471 -2.271 -9.062 291 HA SER 48 HA SER 48 -9.854 -1.599 -6.203 292 HG SER 48 HG SER 48 -11.113 -3.584 -5.422 293 HB2 SER 48 HB2 SER 48 -9.613 -4.201 -7.728 294 HB3 SER 48 HB1 SER 48 -9.031 -3.957 -6.084 295 H ILE 49 HN ILE 49 -7.900 -0.802 -5.811 296 HA ILE 49 HA ILE 49 -5.855 -0.814 -7.967 297 HB ILE 49 HB ILE 49 -6.031 0.693 -5.340 298 HG12 ILE 49 HG12 ILE 49 -6.155 1.686 -8.202 299 HG13 ILE 49 HG11 ILE 49 -7.586 1.333 -7.236 300 HG21 ILE 49 HG21 ILE 49 -4.081 1.978 -6.417 301 HG22 ILE 49 HG22 ILE 49 -3.919 0.597 -7.500 302 HG23 ILE 49 HG23 ILE 49 -3.711 0.383 -5.762 303 HD11 ILE 49 HD11 ILE 49 -5.430 3.363 -6.568 304 HD12 ILE 49 HD12 ILE 49 -6.800 2.967 -5.527 305 HD13 ILE 49 HD13 ILE 49 -7.074 3.721 -7.098 306 H ASP 50 HN ASP 50 -4.209 -2.177 -7.905 307 HA ASP 50 HA ASP 50 -3.553 -3.593 -5.336 308 HB2 ASP 50 HB2 ASP 50 -3.352 -4.509 -8.216 309 HB3 ASP 50 HB1 ASP 50 -2.663 -5.393 -6.853 310 H GLY 51 HN GLY 51 -1.399 -3.890 -4.823 311 HA2 GLY 51 HA2 GLY 51 0.819 -3.165 -6.479 312 HA3 GLY 51 HA1 GLY 51 0.418 -1.805 -5.430 313 H TYR 52 HN TYR 52 2.768 -2.591 -4.863 314 HA TYR 52 HA TYR 52 2.541 -4.148 -2.341 315 HD1 TYR 52 HD2 TYR 52 3.001 -5.220 -6.206 316 HD2 TYR 52 HD1 TYR 52 6.488 -4.010 -4.007 317 HE1 TYR 52 HE2 TYR 52 4.138 -4.637 -8.331 318 HE2 TYR 52 HE1 TYR 52 7.625 -3.429 -6.135 319 HH TYR 52 HH TYR 52 5.918 -3.394 -9.182 320 HB2 TYR 52 HB2 TYR 52 4.715 -5.311 -2.944 321 HB3 TYR 52 HB1 TYR 52 3.302 -5.846 -3.852 322 H ILE 53 HN ILE 53 4.443 -3.874 -0.966 323 HA ILE 53 HA ILE 53 5.792 -1.218 -1.423 324 HB ILE 53 HB ILE 53 5.744 -0.953 1.055 325 HG12 ILE 53 HG12 ILE 53 3.812 -3.290 1.030 326 HG13 ILE 53 HG11 ILE 53 5.505 -3.458 1.491 327 HG21 ILE 53 HG21 ILE 53 4.007 0.069 -0.380 328 HG22 ILE 53 HG22 ILE 53 3.360 -0.389 1.196 329 HG23 ILE 53 HG23 ILE 53 3.026 -1.389 -0.219 330 HD11 ILE 53 HD11 ILE 53 3.570 -1.525 2.797 331 HD12 ILE 53 HD12 ILE 53 5.225 -1.865 3.305 332 HD13 ILE 53 HD13 ILE 53 3.985 -3.111 3.449 333 H ASN 54 HN ASN 54 7.817 -0.963 -0.277 334 HA ASN 54 HA ASN 54 10.015 -1.605 0.170 335 HB2 ASN 54 HB2 ASN 54 8.808 -4.214 1.120 336 HB3 ASN 54 HB1 ASN 54 10.340 -3.495 1.615 337 HD21 ASN 54 HD21 ASN 54 10.285 -2.010 3.352 338 HD22 ASN 54 HD22 ASN 54 8.858 -1.445 4.073 339 H ASN 55 HN ASN 55 8.833 -2.195 -2.444 340 HA ASN 55 HA ASN 55 9.285 -3.417 -4.399 341 HB2 ASN 55 HB2 ASN 55 11.994 -3.734 -3.070 342 HB3 ASN 55 HB1 ASN 55 11.651 -3.811 -4.799 343 HD21 ASN 55 HD21 ASN 55 12.963 -1.748 -2.611 344 HD22 ASN 55 HD22 ASN 55 12.510 -0.260 -3.288 345 H ASP 56 HN ASP 56 8.201 -4.903 -2.120 346 HA ASP 56 HA ASP 56 9.343 -7.632 -2.669 347 HB2 ASP 56 HB2 ASP 56 7.918 -6.509 -0.253 348 HB3 ASP 56 HB1 ASP 56 8.182 -8.236 -0.495 349 H LYS 57 HN LYS 57 8.147 -8.541 -4.188 350 HA LYS 57 HA LYS 57 5.469 -7.914 -4.904 351 HB2 LYS 57 HB2 LYS 57 7.126 -10.423 -5.313 352 HB3 LYS 57 HB1 LYS 57 5.553 -10.162 -6.071 353 HG2 LYS 57 HG2 LYS 57 6.398 -8.114 -7.145 354 HG3 LYS 57 HG1 LYS 57 7.964 -8.344 -6.371 355 HD2 LYS 57 HD2 LYS 57 8.251 -10.483 -7.556 356 HD3 LYS 57 HD1 LYS 57 6.673 -10.280 -8.316 357 HE2 LYS 57 HE2 LYS 57 7.439 -8.236 -9.429 358 HE3 LYS 57 HE1 LYS 57 9.006 -8.366 -8.630 359 HZ1 LYS 57 HZ1 LYS 57 8.124 -9.618 -10.995 360 HZ2 LYS 57 HZ2 LYS 57 8.501 -10.811 -9.846 361 HZ3 LYS 57 HZ3 LYS 57 9.664 -9.655 -10.287 362 H ASN 58 HN ASN 58 6.780 -10.181 -2.552 363 HA ASN 58 HA ASN 58 4.401 -11.697 -2.050 364 HB2 ASN 58 HB2 ASN 58 6.736 -10.968 -0.248 365 HB3 ASN 58 HB1 ASN 58 5.473 -12.109 0.210 366 HD21 ASN 58 HD21 ASN 58 8.493 -12.441 -0.502 367 HD22 ASN 58 HD22 ASN 58 8.489 -13.710 -1.629 368 H LEU 59 HN LEU 59 5.621 -8.641 -0.746 369 HA LEU 59 HA LEU 59 3.361 -8.353 1.119 370 HG LEU 59 HG LEU 59 6.535 -8.340 1.162 371 HB2 LEU 59 HB2 LEU 59 5.450 -6.305 0.314 372 HB3 LEU 59 HB1 LEU 59 4.412 -6.251 1.738 373 HD11 LEU 59 HD11 LEU 59 7.823 -7.311 2.873 374 HD12 LEU 59 HD12 LEU 59 6.457 -6.349 3.434 375 HD13 LEU 59 HD13 LEU 59 7.230 -5.967 1.897 376 HD21 LEU 59 HD21 LEU 59 4.892 -9.492 2.396 377 HD22 LEU 59 HD22 LEU 59 4.443 -8.060 3.319 378 HD23 LEU 59 HD23 LEU 59 5.961 -8.887 3.658 379 H SER 60 HN SER 60 1.766 -8.572 -0.651 380 HA SER 60 HA SER 60 1.466 -6.151 -2.363 381 HG SER 60 HG SER 60 -1.452 -7.759 -3.193 382 HB2 SER 60 HB2 SER 60 1.237 -8.179 -3.596 383 HB3 SER 60 HB1 SER 60 0.159 -8.871 -2.387 384 H PHE 61 HN PHE 61 -0.706 -5.223 -2.549 385 HA PHE 61 HA PHE 61 -2.538 -5.638 -0.264 386 HD1 PHE 61 HD1 PHE 61 -3.056 -1.769 -1.572 387 HD2 PHE 61 HD2 PHE 61 0.915 -3.232 -0.826 388 HE1 PHE 61 HE1 PHE 61 -2.130 -0.034 -3.083 389 HE2 PHE 61 HE2 PHE 61 1.836 -1.497 -2.340 390 HZ PHE 61 HZ PHE 61 0.314 0.103 -3.468 391 HB2 PHE 61 HB2 PHE 61 -2.551 -3.265 0.350 392 HB3 PHE 61 HB1 PHE 61 -0.940 -3.943 0.558 393 H THR 62 HN THR 62 -4.608 -4.682 -0.604 394 HA THR 62 HA THR 62 -5.144 -3.732 -3.407 395 HB THR 62 HB THR 62 -6.739 -5.802 -1.870 396 HG1 THR 62 HG1 THR 62 -4.929 -6.706 -2.775 397 HG21 THR 62 HG21 THR 62 -8.003 -5.923 -4.055 398 HG22 THR 62 HG22 THR 62 -7.156 -4.458 -4.550 399 HG23 THR 62 HG23 THR 62 -8.239 -4.423 -3.158 400 H ALA 63 HN ALA 63 -6.521 -2.061 -3.537 401 HA ALA 63 HA ALA 63 -8.117 -1.284 -1.118 402 HB1 ALA 63 HB1 ALA 63 -6.126 0.139 -1.191 403 HB2 ALA 63 HB2 ALA 63 -7.556 1.084 -1.608 404 HB3 ALA 63 HB3 ALA 63 -6.455 0.544 -2.875 405 H GLY 64 HN GLY 64 -10.150 -0.655 -1.569 406 HA2 GLY 64 HA2 GLY 64 -11.033 -0.704 -4.422 407 HA3 GLY 64 HA1 GLY 64 -12.068 -0.985 -3.027 408 H LYS 65 HN LYS 65 -11.924 1.018 -5.358 409 HA LYS 65 HA LYS 65 -12.145 3.346 -5.699 410 HB2 LYS 65 HB2 LYS 65 -14.180 2.584 -3.598 411 HB3 LYS 65 HB1 LYS 65 -14.192 4.152 -4.403 412 HG2 LYS 65 HG2 LYS 65 -14.101 1.642 -6.066 413 HG3 LYS 65 HG1 LYS 65 -15.634 2.185 -5.387 414 HD2 LYS 65 HD2 LYS 65 -15.332 4.396 -6.448 415 HD3 LYS 65 HD1 LYS 65 -13.804 3.865 -7.139 416 HE2 LYS 65 HE2 LYS 65 -14.957 2.111 -8.394 417 HE3 LYS 65 HE1 LYS 65 -16.495 2.593 -7.684 418 HZ1 LYS 65 HZ1 LYS 65 -15.433 4.904 -8.680 419 HZ2 LYS 65 HZ2 LYS 65 -16.671 3.982 -9.390 420 HZ3 LYS 65 HZ3 LYS 65 -15.056 3.748 -9.862 421 H ASP 66 HN ASP 66 -13.396 4.519 -2.922 422 HA ASP 66 HA ASP 66 -10.908 5.949 -2.280 423 HB2 ASP 66 HB2 ASP 66 -13.763 6.170 -1.287 424 HB3 ASP 66 HB1 ASP 66 -12.445 7.136 -0.628 425 H VAL 67 HN VAL 67 -9.876 3.919 -1.540 426 HA VAL 67 HA VAL 67 -9.343 2.284 0.075 427 HB VAL 67 HB VAL 67 -9.786 4.501 2.076 428 HG11 VAL 67 HG11 VAL 67 -7.412 2.683 1.607 429 HG12 VAL 67 HG12 VAL 67 -8.771 2.229 2.634 430 HG13 VAL 67 HG13 VAL 67 -7.778 3.626 3.053 431 HG21 VAL 67 HG21 VAL 67 -8.911 5.699 0.170 432 HG22 VAL 67 HG22 VAL 67 -7.747 4.418 -0.170 433 HG23 VAL 67 HG23 VAL 67 -7.558 5.421 1.268 434 H LYS 68 HN LYS 68 -12.228 2.524 -0.517 435 HA LYS 68 HA LYS 68 -13.798 2.377 1.866 436 HB2 LYS 68 HB2 LYS 68 -14.190 1.163 -0.886 437 HB3 LYS 68 HB1 LYS 68 -15.412 1.094 0.384 438 HG2 LYS 68 HG2 LYS 68 -14.208 3.760 -0.340 439 HG3 LYS 68 HG1 LYS 68 -15.446 3.069 -1.388 440 HD2 LYS 68 HD2 LYS 68 -15.962 3.131 1.582 441 HD3 LYS 68 HD1 LYS 68 -16.130 4.627 0.664 442 HE2 LYS 68 HE2 LYS 68 -17.726 3.555 -0.846 443 HE3 LYS 68 HE1 LYS 68 -17.517 2.017 -0.012 444 HZ1 LYS 68 HZ1 LYS 68 -18.438 4.486 1.338 445 HZ2 LYS 68 HZ2 LYS 68 -18.457 2.900 1.948 446 HZ3 LYS 68 HZ3 LYS 68 -19.497 3.338 0.678 447 H ILE 69 HN ILE 69 -12.150 -0.116 -0.044 448 HA ILE 69 HA ILE 69 -12.401 -1.960 2.318 449 HB ILE 69 HB ILE 69 -12.663 -2.690 -0.614 450 HG12 ILE 69 HG12 ILE 69 -14.636 -2.984 1.670 451 HG13 ILE 69 HG11 ILE 69 -14.653 -1.629 0.541 452 HG21 ILE 69 HG21 ILE 69 -12.512 -4.344 1.919 453 HG22 ILE 69 HG22 ILE 69 -11.460 -4.445 0.507 454 HG23 ILE 69 HG23 ILE 69 -13.138 -4.978 0.397 455 HD11 ILE 69 HD11 ILE 69 -16.205 -3.582 -0.026 456 HD12 ILE 69 HD12 ILE 69 -14.746 -4.504 -0.393 457 HD13 ILE 69 HD13 ILE 69 -15.126 -3.049 -1.315 458 H PHE 70 HN PHE 70 -10.482 -2.592 3.025 459 HA PHE 70 HA PHE 70 -8.135 -2.550 1.145 460 HD1 PHE 70 HD1 PHE 70 -6.102 -0.928 1.148 461 HD2 PHE 70 HD2 PHE 70 -6.231 -3.060 4.875 462 HE1 PHE 70 HE1 PHE 70 -3.660 -1.320 1.007 463 HE2 PHE 70 HE2 PHE 70 -3.786 -3.452 4.734 464 HZ PHE 70 HZ PHE 70 -2.501 -2.585 2.798 465 HB2 PHE 70 HB2 PHE 70 -8.030 -0.713 2.801 466 HB3 PHE 70 HB1 PHE 70 -8.153 -1.897 4.106 467 H SER 71 HN SER 71 -7.043 -4.400 1.020 468 HA SER 71 HA SER 71 -7.438 -6.491 3.142 469 HG SER 71 HG SER 71 -9.253 -7.307 2.232 470 HB2 SER 71 HB2 SER 71 -7.429 -6.825 0.132 471 HB3 SER 71 HB1 SER 71 -7.249 -8.166 1.260 472 H SER 72 HN SER 72 -5.645 -7.815 3.519 473 HA SER 72 HA SER 72 -3.075 -7.032 2.207 474 HG SER 72 HG SER 72 -3.525 -8.147 5.713 475 HB2 SER 72 HB2 SER 72 -2.023 -7.144 4.507 476 HB3 SER 72 HB1 SER 72 -3.094 -5.768 4.254 477 H SER 73 HN SER 73 -1.436 -8.611 2.357 478 HA SER 73 HA SER 73 -2.447 -11.358 2.330 479 HG SER 73 HG SER 73 0.803 -12.290 1.177 480 HB2 SER 73 HB2 SER 73 -0.810 -10.617 0.649 481 HB3 SER 73 HB1 SER 73 0.350 -10.255 1.925 482 H GLU 74 HN GLU 74 -0.930 -13.036 3.416 483 HA GLU 74 HA GLU 74 -1.136 -12.732 6.251 484 HB2 GLU 74 HB2 GLU 74 0.452 -14.683 4.550 485 HB3 GLU 74 HB1 GLU 74 0.289 -14.828 6.300 486 HG2 GLU 74 HG2 GLU 74 -2.152 -14.975 6.084 487 HG3 GLU 74 HG1 GLU 74 -2.027 -14.763 4.339 488 H GLU 75 HN GLU 75 1.619 -12.428 4.042 489 HA GLU 75 HA GLU 75 3.574 -11.947 6.120 490 HB2 GLU 75 HB2 GLU 75 3.569 -11.293 3.153 491 HB3 GLU 75 HB1 GLU 75 4.970 -11.090 4.204 492 HG2 GLU 75 HG2 GLU 75 5.342 -13.220 3.296 493 HG3 GLU 75 HG1 GLU 75 4.558 -13.608 4.824 494 H LEU 76 HN LEU 76 1.709 -9.842 3.962 495 HA LEU 76 HA LEU 76 2.820 -7.372 4.848 496 HG LEU 76 HG LEU 76 0.178 -5.727 4.814 497 HB2 LEU 76 HB2 LEU 76 1.469 -7.583 2.784 498 HB3 LEU 76 HB1 LEU 76 0.043 -7.948 3.752 499 HD11 LEU 76 HD11 LEU 76 2.722 -5.590 3.210 500 HD12 LEU 76 HD12 LEU 76 2.425 -5.098 4.876 501 HD13 LEU 76 HD13 LEU 76 1.842 -4.100 3.551 502 HD21 LEU 76 HD21 LEU 76 0.414 -5.369 1.821 503 HD22 LEU 76 HD22 LEU 76 -0.587 -4.456 2.948 504 HD23 LEU 76 HD23 LEU 76 -0.987 -6.128 2.570 505 H ASP 77 HN ASP 77 0.129 -9.314 6.041 506 HA ASP 77 HA ASP 77 -1.044 -7.506 7.860 507 HB2 ASP 77 HB2 ASP 77 -1.801 -9.882 7.268 508 HB3 ASP 77 HB1 ASP 77 -0.600 -10.454 8.424 509 H LYS 78 HN LYS 78 1.922 -9.405 8.133 510 HA LYS 78 HA LYS 78 2.362 -9.050 10.945 511 HB2 LYS 78 HB2 LYS 78 4.321 -9.451 8.658 512 HB3 LYS 78 HB1 LYS 78 4.772 -9.508 10.362 513 HG2 LYS 78 HG2 LYS 78 3.187 -11.359 10.733 514 HG3 LYS 78 HG1 LYS 78 2.715 -11.303 9.035 515 HD2 LYS 78 HD2 LYS 78 5.068 -11.797 8.390 516 HD3 LYS 78 HD1 LYS 78 5.488 -11.929 10.098 517 HE2 LYS 78 HE2 LYS 78 3.454 -13.649 8.643 518 HE3 LYS 78 HE1 LYS 78 5.071 -14.157 9.129 519 HZ1 LYS 78 HZ1 LYS 78 4.249 -14.688 11.097 520 HZ2 LYS 78 HZ2 LYS 78 2.709 -14.121 10.655 521 HZ3 LYS 78 HZ3 LYS 78 3.835 -13.066 11.368 522 H MET 79 HN MET 79 3.308 -7.077 8.142 523 HA MET 79 HA MET 79 4.881 -5.165 9.618 524 HB2 MET 79 HB2 MET 79 3.341 -4.875 7.014 525 HB3 MET 79 HB1 MET 79 4.505 -3.701 7.624 526 HG2 MET 79 HG2 MET 79 5.154 -6.613 7.075 527 HG3 MET 79 HG1 MET 79 5.491 -5.297 5.950 528 HE1 MET 79 HE1 MET 79 7.854 -3.006 7.642 529 HE2 MET 79 HE2 MET 79 6.483 -3.237 6.562 530 HE3 MET 79 HE3 MET 79 8.039 -3.952 6.160 531 H PHE 80 HN PHE 80 1.458 -5.377 8.784 532 HA PHE 80 HA PHE 80 0.703 -2.769 9.720 533 HD1 PHE 80 HD1 PHE 80 0.553 -4.487 6.995 534 HD2 PHE 80 HD2 PHE 80 -2.729 -2.433 8.856 535 HE1 PHE 80 HE1 PHE 80 0.129 -3.247 4.890 536 HE2 PHE 80 HE2 PHE 80 -3.152 -1.198 6.755 537 HZ PHE 80 HZ PHE 80 -1.723 -1.602 4.772 538 HB2 PHE 80 HB2 PHE 80 -0.742 -5.342 9.146 539 HB3 PHE 80 HB1 PHE 80 -1.604 -4.095 10.046 540 H GLN 81 HN GLN 81 0.322 -2.025 11.698 541 HA GLN 81 HA GLN 81 0.442 -3.930 14.022 542 HB2 GLN 81 HB2 GLN 81 1.374 -1.058 13.737 543 HB3 GLN 81 HB1 GLN 81 1.272 -1.904 15.284 544 HG2 GLN 81 HG2 GLN 81 2.816 -3.621 14.486 545 HG3 GLN 81 HG1 GLN 81 2.874 -2.864 12.895 546 HE21 GLN 81 HE21 GLN 81 4.192 -0.961 12.639 547 HE22 GLN 81 HE22 GLN 81 5.204 -0.382 13.872 548 H GLU 82 HN GLU 82 -1.293 -1.415 12.388 549 HA GLU 82 HA GLU 82 -3.272 -1.296 14.638 550 HB2 GLU 82 HB2 GLU 82 -3.969 0.866 13.281 551 HB3 GLU 82 HB1 GLU 82 -2.577 0.914 14.361 552 HG2 GLU 82 HG2 GLU 82 -2.266 0.176 11.452 553 HG3 GLU 82 HG1 GLU 82 -2.284 1.860 11.972 554 HA PRO 83 HA PRO 83 -6.233 -3.239 11.998 555 HB2 PRO 83 HB2 PRO 83 -8.566 -2.007 12.816 556 HB3 PRO 83 HB1 PRO 83 -7.723 -3.253 13.759 557 HG2 PRO 83 HG2 PRO 83 -7.654 -0.281 14.064 558 HG3 PRO 83 HG1 PRO 83 -7.725 -1.541 15.311 559 HD2 PRO 83 HD2 PRO 83 -5.411 -0.263 14.683 560 HD3 PRO 83 HD1 PRO 83 -5.442 -1.958 15.212 561 H ARG 84 HN ARG 84 -8.091 -2.711 10.465 562 HA ARG 84 HA ARG 84 -7.177 -0.856 8.494 563 HE ARG 84 HE ARG 84 -10.164 -4.499 8.672 564 HB2 ARG 84 HB2 ARG 84 -9.837 -2.268 8.827 565 HB3 ARG 84 HB1 ARG 84 -9.410 -1.313 7.406 566 HG2 ARG 84 HG2 ARG 84 -7.466 -2.763 6.996 567 HG3 ARG 84 HG1 ARG 84 -7.856 -3.711 8.430 568 HD2 ARG 84 HD2 ARG 84 -9.736 -3.361 6.073 569 HD3 ARG 84 HD1 ARG 84 -8.670 -4.750 6.284 570 HH11 ARG 84 HH21 ARG 84 -10.674 -5.089 5.293 571 HH12 ARG 84 HH22 ARG 84 -12.084 -6.061 5.555 572 HH21 ARG 84 HH11 ARG 84 -11.993 -5.763 9.004 573 HH22 ARG 84 HH12 ARG 84 -12.825 -6.441 7.645 574 H LYS 85 HN LYS 85 -7.781 1.188 8.015 575 HA LYS 85 HA LYS 85 -9.924 2.482 9.628 576 HB2 LYS 85 HB2 LYS 85 -7.467 2.790 10.539 577 HB3 LYS 85 HB1 LYS 85 -7.311 3.924 9.199 578 HG2 LYS 85 HG2 LYS 85 -8.120 5.368 10.841 579 HG3 LYS 85 HG1 LYS 85 -9.643 4.833 10.134 580 HD2 LYS 85 HD2 LYS 85 -9.859 3.097 11.868 581 HD3 LYS 85 HD1 LYS 85 -8.325 3.603 12.572 582 HE2 LYS 85 HE2 LYS 85 -9.261 5.843 13.003 583 HE3 LYS 85 HE1 LYS 85 -10.797 5.337 12.299 584 HZ1 LYS 85 HZ1 LYS 85 -9.822 3.553 14.330 585 HZ2 LYS 85 HZ2 LYS 85 -11.361 4.246 14.141 586 HZ3 LYS 85 HZ3 LYS 85 -10.122 5.118 14.910 587 H GLY 86 HN GLY 86 -10.942 4.161 8.600 588 HA2 GLY 86 HA2 GLY 86 -10.811 4.192 5.701 589 HA3 GLY 86 HA1 GLY 86 -11.862 5.191 6.700 590 H TYR 87 HN TYR 87 -10.372 6.020 4.399 591 HA TYR 87 HA TYR 87 -7.978 7.433 5.018 592 HD1 TYR 87 HD2 TYR 87 -6.383 8.177 3.040 593 HD2 TYR 87 HD1 TYR 87 -10.078 10.329 2.640 594 HE1 TYR 87 HE2 TYR 87 -5.126 10.234 2.449 595 HE2 TYR 87 HE1 TYR 87 -8.821 12.386 2.059 596 HH TYR 87 HH TYR 87 -6.663 13.030 1.184 597 HB2 TYR 87 HB2 TYR 87 -8.643 7.024 2.716 598 HB3 TYR 87 HB1 TYR 87 -10.110 7.980 2.935 599 H ASP 88 HN ASP 88 -11.377 8.448 5.072 600 HA ASP 88 HA ASP 88 -10.917 11.190 5.747 601 HB2 ASP 88 HB2 ASP 88 -13.257 9.324 6.219 602 HB3 ASP 88 HB1 ASP 88 -13.304 11.032 6.663 603 H GLU 89 HN GLU 89 -11.234 8.289 7.717 604 HA GLU 89 HA GLU 89 -11.431 9.553 10.271 605 HB2 GLU 89 HB2 GLU 89 -10.449 6.855 9.341 606 HB3 GLU 89 HB1 GLU 89 -10.363 7.294 11.045 607 HG2 GLU 89 HG2 GLU 89 -12.439 6.190 10.850 608 HG3 GLU 89 HG1 GLU 89 -12.880 7.894 10.806 609 H ILE 90 HN ILE 90 -8.559 8.244 8.609 610 HA ILE 90 HA ILE 90 -6.693 9.132 10.599 611 HB ILE 90 HB ILE 90 -5.004 8.851 8.727 612 HG12 ILE 90 HG12 ILE 90 -7.483 8.052 7.175 613 HG13 ILE 90 HG11 ILE 90 -6.539 9.506 6.878 614 HG21 ILE 90 HG21 ILE 90 -5.287 6.436 8.605 615 HG22 ILE 90 HG22 ILE 90 -6.989 6.584 9.050 616 HG23 ILE 90 HG23 ILE 90 -5.732 6.992 10.219 617 HD11 ILE 90 HD11 ILE 90 -4.518 7.939 6.595 618 HD12 ILE 90 HD12 ILE 90 -5.715 7.943 5.301 619 HD13 ILE 90 HD13 ILE 90 -5.701 6.635 6.483 620 H LEU 91 HN LEU 91 -7.987 10.634 7.693 621 HA LEU 91 HA LEU 91 -6.253 12.886 7.605 622 HG LEU 91 HG LEU 91 -8.487 14.987 6.897 623 HB2 LEU 91 HB2 LEU 91 -7.739 12.279 5.733 624 HB3 LEU 91 HB1 LEU 91 -9.152 12.623 6.728 625 HD11 LEU 91 HD11 LEU 91 -6.153 15.056 6.843 626 HD12 LEU 91 HD12 LEU 91 -6.546 15.626 5.223 627 HD13 LEU 91 HD13 LEU 91 -6.044 13.953 5.472 628 HD21 LEU 91 HD21 LEU 91 -9.830 14.121 4.926 629 HD22 LEU 91 HD22 LEU 91 -8.326 14.124 4.002 630 HD23 LEU 91 HD23 LEU 91 -8.971 15.635 4.643 631 H GLU 92 HN GLU 92 -9.386 12.399 9.191 632 HA GLU 92 HA GLU 92 -9.545 15.088 10.257 633 HB2 GLU 92 HB2 GLU 92 -10.953 12.498 10.994 634 HB3 GLU 92 HB1 GLU 92 -11.334 14.052 11.736 635 HG2 GLU 92 HG2 GLU 92 -11.933 14.990 9.566 636 HG3 GLU 92 HG1 GLU 92 -11.443 13.505 8.753 637 H HIS 93 HN HIS 93 -8.380 11.980 11.451 638 HA HIS 93 HA HIS 93 -7.868 12.808 14.161 639 HD1 HIS 93 HD1 HIS 93 -8.971 11.481 15.402 640 HD2 HIS 93 HD2 HIS 93 -8.645 8.541 12.462 641 HE1 HIS 93 HE1 HIS 93 -10.998 9.986 15.656 642 HB2 HIS 93 HB2 HIS 93 -6.739 10.570 12.451 643 HB3 HIS 93 HB1 HIS 93 -6.332 10.774 14.156 644 H HIS 94 HN HIS 94 -5.884 12.761 11.221 645 HA HIS 94 HA HIS 94 -3.391 13.472 12.410 646 HD1 HIS 94 HD1 HIS 94 -2.659 16.248 9.655 647 HD2 HIS 94 HD2 HIS 94 -0.948 12.526 10.432 648 HE1 HIS 94 HE1 HIS 94 -0.152 16.553 9.447 649 HB2 HIS 94 HB2 HIS 94 -3.754 12.670 10.046 650 HB3 HIS 94 HB1 HIS 94 -4.370 14.274 9.653 651 H HIS 95 HN HIS 95 -4.047 15.028 14.013 652 HA HIS 95 HA HIS 95 -5.010 17.673 13.125 653 HD1 HIS 95 HD1 HIS 95 -6.111 14.710 15.608 654 HD2 HIS 95 HD2 HIS 95 -7.498 18.575 14.887 655 HE1 HIS 95 HE1 HIS 95 -8.639 14.567 15.560 656 HB2 HIS 95 HB2 HIS 95 -4.276 16.504 15.825 657 HB3 HIS 95 HB1 HIS 95 -4.745 18.191 15.612 658 H HIS 96 HN HIS 96 -2.040 16.061 13.493 659 HA HIS 96 HA HIS 96 -0.571 18.583 13.027 660 HD1 HIS 96 HD1 HIS 96 -1.480 15.415 14.528 661 HD2 HIS 96 HD2 HIS 96 1.618 16.443 17.121 662 HE1 HIS 96 HE1 HIS 96 -1.059 13.385 15.985 663 HB2 HIS 96 HB2 HIS 96 1.072 18.112 14.823 664 HB3 HIS 96 HB1 HIS 96 -0.536 18.432 15.470 665 H HIS 97 HN HIS 97 1.724 18.122 12.474 666 HA HIS 97 HA HIS 97 1.916 16.027 10.515 667 HD1 HIS 97 HD1 HIS 97 2.706 19.424 12.572 668 HD2 HIS 97 HD2 HIS 97 6.124 17.034 12.552 669 HE1 HIS 97 HE1 HIS 97 4.148 20.216 14.500 670 HB2 HIS 97 HB2 HIS 97 4.344 16.706 10.449 671 HB3 HIS 97 HB1 HIS 97 3.223 18.054 10.256 672 H HIS 98 HN HIS 98 3.242 16.394 13.785 673 HA HIS 98 HA HIS 98 3.349 13.484 14.115 674 HD1 HIS 98 HD1 HIS 98 5.662 15.336 11.425 675 HD2 HIS 98 HD2 HIS 98 5.428 11.415 12.816 676 HE1 HIS 98 HE1 HIS 98 5.832 13.842 9.387 677 HB2 HIS 98 HB2 HIS 98 5.885 15.139 13.998 678 HB3 HIS 98 HB1 HIS 98 5.808 13.522 14.702 Start of MODEL 15 1 HA ALA 12 HA ALA 12 -7.220 10.857 -14.813 2 H1 ALA 12 HN ALA 12 -7.632 12.895 -15.928 3 HB1 ALA 12 HB1 ALA 12 -4.973 11.895 -15.388 4 HB2 ALA 12 HB2 ALA 12 -4.955 10.692 -14.097 5 HB3 ALA 12 HB3 ALA 12 -4.881 12.410 -13.702 6 H PHE 13 HN PHE 13 -9.124 11.231 -13.413 7 HA PHE 13 HA PHE 13 -8.858 12.325 -10.762 8 HD1 PHE 13 HD1 PHE 13 -10.913 10.472 -13.938 9 HD2 PHE 13 HD2 PHE 13 -11.092 8.945 -9.926 10 HE1 PHE 13 HE1 PHE 13 -11.477 8.223 -14.818 11 HE2 PHE 13 HE2 PHE 13 -11.655 6.697 -10.807 12 HZ PHE 13 HZ PHE 13 -11.850 6.337 -13.252 13 HB2 PHE 13 HB2 PHE 13 -11.036 11.336 -10.345 14 HB3 PHE 13 HB1 PHE 13 -11.038 11.981 -11.984 15 H PHE 14 HN PHE 14 -7.815 9.430 -12.204 16 HA PHE 14 HA PHE 14 -7.974 7.551 -10.074 17 HD1 PHE 14 HD1 PHE 14 -7.916 4.959 -11.155 18 HD2 PHE 14 HD2 PHE 14 -7.574 8.093 -14.074 19 HE1 PHE 14 HE1 PHE 14 -9.650 3.856 -12.542 20 HE2 PHE 14 HE2 PHE 14 -9.310 6.989 -15.461 21 HZ PHE 14 HZ PHE 14 -10.348 4.871 -14.694 22 HB2 PHE 14 HB2 PHE 14 -5.941 7.875 -12.305 23 HB3 PHE 14 HB1 PHE 14 -5.964 6.498 -11.204 24 H ASN 15 HN ASN 15 -5.812 10.233 -10.673 25 HA ASN 15 HA ASN 15 -3.675 9.538 -8.914 26 HB2 ASN 15 HB2 ASN 15 -3.529 11.394 -10.535 27 HB3 ASN 15 HB1 ASN 15 -4.763 12.286 -9.642 28 HD21 ASN 15 HD21 ASN 15 -2.386 13.614 -9.873 29 HD22 ASN 15 HD22 ASN 15 -1.504 13.567 -8.423 30 H GLU 16 HN GLU 16 -6.771 11.155 -8.347 31 HA GLU 16 HA GLU 16 -6.346 12.046 -5.689 32 HB2 GLU 16 HB2 GLU 16 -8.883 11.066 -7.048 33 HB3 GLU 16 HB1 GLU 16 -8.853 11.907 -5.497 34 HG2 GLU 16 HG2 GLU 16 -7.729 13.033 -8.081 35 HG3 GLU 16 HG1 GLU 16 -9.313 13.440 -7.422 36 H GLN 17 HN GLN 17 -7.639 8.939 -6.862 37 HA GLN 17 HA GLN 17 -8.020 7.802 -4.244 38 HB2 GLN 17 HB2 GLN 17 -8.784 7.055 -6.741 39 HB3 GLN 17 HB1 GLN 17 -7.397 5.989 -6.567 40 HG2 GLN 17 HG2 GLN 17 -9.780 6.192 -4.702 41 HG3 GLN 17 HG1 GLN 17 -9.364 4.829 -5.743 42 HE21 GLN 17 HE21 GLN 17 -7.680 3.391 -5.033 43 HE22 GLN 17 HE22 GLN 17 -6.962 3.508 -3.500 44 H LYS 18 HN LYS 18 -5.363 7.830 -6.542 45 HA LYS 18 HA LYS 18 -3.666 5.905 -5.307 46 HB2 LYS 18 HB2 LYS 18 -3.505 7.168 -7.616 47 HB3 LYS 18 HB1 LYS 18 -2.590 8.366 -6.707 48 HG2 LYS 18 HG2 LYS 18 -0.856 6.955 -7.350 49 HG3 LYS 18 HG1 LYS 18 -1.290 6.209 -5.815 50 HD2 LYS 18 HD2 LYS 18 -1.335 4.336 -7.208 51 HD3 LYS 18 HD1 LYS 18 -3.014 4.843 -7.321 52 HE2 LYS 18 HE2 LYS 18 -2.432 4.572 -9.571 53 HE3 LYS 18 HE1 LYS 18 -2.167 6.298 -9.338 54 HZ1 LYS 18 HZ1 LYS 18 -0.153 5.826 -10.165 55 HZ2 LYS 18 HZ2 LYS 18 -0.249 4.175 -9.783 56 HZ3 LYS 18 HZ3 LYS 18 0.194 5.300 -8.590 57 H GLU 19 HN GLU 19 -3.983 9.404 -4.870 58 HA GLU 19 HA GLU 19 -1.820 9.749 -3.020 59 HB2 GLU 19 HB2 GLU 19 -2.941 11.616 -4.233 60 HB3 GLU 19 HB1 GLU 19 -4.401 11.346 -3.280 61 HG2 GLU 19 HG2 GLU 19 -3.167 11.832 -1.213 62 HG3 GLU 19 HG1 GLU 19 -1.681 12.050 -2.137 63 H LYS 20 HN LYS 20 -5.270 9.042 -2.607 64 HA LYS 20 HA LYS 20 -5.360 9.194 0.252 65 HB2 LYS 20 HB2 LYS 20 -7.024 7.626 -1.747 66 HB3 LYS 20 HB1 LYS 20 -7.391 7.716 -0.025 67 HG2 LYS 20 HG2 LYS 20 -7.627 10.130 -0.140 68 HG3 LYS 20 HG1 LYS 20 -7.095 10.141 -1.819 69 HD2 LYS 20 HD2 LYS 20 -9.466 10.266 -1.942 70 HD3 LYS 20 HD1 LYS 20 -9.089 8.581 -2.293 71 HE2 LYS 20 HE2 LYS 20 -9.680 7.897 -0.069 72 HE3 LYS 20 HE1 LYS 20 -9.775 9.564 0.486 73 HZ1 LYS 20 HZ1 LYS 20 -11.657 9.936 -0.905 74 HZ2 LYS 20 HZ2 LYS 20 -11.949 8.545 0.028 75 HZ3 LYS 20 HZ3 LYS 20 -11.515 8.399 -1.608 76 H VAL 21 HN VAL 21 -4.682 6.508 -1.967 77 HA VAL 21 HA VAL 21 -4.552 4.443 0.011 78 HB VAL 21 HB VAL 21 -3.222 4.673 -2.713 79 HG11 VAL 21 HG11 VAL 21 -1.954 3.046 -1.535 80 HG12 VAL 21 HG12 VAL 21 -3.147 2.109 -2.435 81 HG13 VAL 21 HG13 VAL 21 -3.382 2.417 -0.713 82 HG21 VAL 21 HG21 VAL 21 -5.074 3.409 -3.520 83 HG22 VAL 21 HG22 VAL 21 -5.794 4.625 -2.466 84 HG23 VAL 21 HG23 VAL 21 -5.591 2.971 -1.891 85 H THR 22 HN THR 22 -2.086 6.599 -1.360 86 HA THR 22 HA THR 22 0.215 5.463 -0.139 87 HB THR 22 HB THR 22 -0.206 8.436 -0.584 88 HG1 THR 22 HG1 THR 22 -0.827 7.465 -2.466 89 HG21 THR 22 HG21 THR 22 1.895 7.424 0.538 90 HG22 THR 22 HG22 THR 22 2.145 8.518 -0.821 91 HG23 THR 22 HG23 THR 22 2.265 6.776 -1.059 92 H LEU 23 HN LEU 23 -1.959 8.041 1.020 93 HA LEU 23 HA LEU 23 -0.593 8.530 3.472 94 HG LEU 23 HG LEU 23 -3.006 8.987 5.268 95 HB2 LEU 23 HB2 LEU 23 -2.287 10.078 2.525 96 HB3 LEU 23 HB1 LEU 23 -3.544 8.883 2.845 97 HD11 LEU 23 HD11 LEU 23 -0.849 10.811 4.239 98 HD12 LEU 23 HD12 LEU 23 -0.777 9.591 5.511 99 HD13 LEU 23 HD13 LEU 23 -1.543 11.141 5.826 100 HD21 LEU 23 HD21 LEU 23 -3.660 11.563 3.832 101 HD22 LEU 23 HD22 LEU 23 -3.713 11.426 5.590 102 HD23 LEU 23 HD23 LEU 23 -4.774 10.427 4.597 103 H TYR 24 HN TYR 24 -3.200 6.322 2.612 104 HA TYR 24 HA TYR 24 -3.888 5.397 5.195 105 HD1 TYR 24 HD1 TYR 24 -3.197 1.752 3.501 106 HD2 TYR 24 HD2 TYR 24 -6.497 3.976 5.119 107 HE1 TYR 24 HE1 TYR 24 -3.928 -0.254 4.768 108 HE2 TYR 24 HE2 TYR 24 -7.227 1.971 6.385 109 HH TYR 24 HH TYR 24 -6.814 -0.146 6.867 110 HB2 TYR 24 HB2 TYR 24 -5.216 4.827 3.229 111 HB3 TYR 24 HB1 TYR 24 -3.869 3.912 2.547 112 H LEU 25 HN LEU 25 -1.495 4.106 2.891 113 HA LEU 25 HA LEU 25 -0.586 1.972 4.547 114 HG LEU 25 HG LEU 25 -1.320 2.209 1.828 115 HB2 LEU 25 HB2 LEU 25 0.819 3.508 2.338 116 HB3 LEU 25 HB1 LEU 25 1.440 2.031 3.062 117 HD11 LEU 25 HD11 LEU 25 1.347 1.531 0.576 118 HD12 LEU 25 HD12 LEU 25 0.110 2.642 -0.015 119 HD13 LEU 25 HD13 LEU 25 -0.163 0.903 -0.077 120 HD21 LEU 25 HD21 LEU 25 0.435 -0.006 2.898 121 HD22 LEU 25 HD22 LEU 25 -0.734 -0.360 1.635 122 HD23 LEU 25 HD23 LEU 25 -1.280 0.289 3.170 123 H LYS 26 HN LYS 26 0.519 5.296 4.176 124 HA LYS 26 HA LYS 26 2.890 5.242 5.609 125 HB2 LYS 26 HB2 LYS 26 0.737 7.341 5.359 126 HB3 LYS 26 HB1 LYS 26 2.132 7.648 6.387 127 HG2 LYS 26 HG2 LYS 26 3.622 7.154 4.453 128 HG3 LYS 26 HG1 LYS 26 2.198 6.952 3.434 129 HD2 LYS 26 HD2 LYS 26 1.531 9.274 3.880 130 HD3 LYS 26 HD1 LYS 26 2.911 9.480 4.951 131 HE2 LYS 26 HE2 LYS 26 4.439 9.022 3.064 132 HE3 LYS 26 HE1 LYS 26 3.053 8.837 1.991 133 HZ1 LYS 26 HZ1 LYS 26 2.859 11.025 1.794 134 HZ2 LYS 26 HZ2 LYS 26 4.367 11.167 2.564 135 HZ3 LYS 26 HZ3 LYS 26 2.933 11.271 3.470 136 H HIS 27 HN HIS 27 -0.237 6.125 7.076 137 HA HIS 27 HA HIS 27 0.816 5.925 9.760 138 HD1 HIS 27 HD1 HIS 27 -2.777 4.184 10.379 139 HD2 HIS 27 HD2 HIS 27 -2.958 6.521 6.940 140 HE1 HIS 27 HE1 HIS 27 -4.712 3.291 9.016 141 HB2 HIS 27 HB2 HIS 27 -1.391 6.458 10.475 142 HB3 HIS 27 HB1 HIS 27 -1.182 7.308 8.946 143 H ASN 28 HN ASN 28 -0.984 3.735 7.687 144 HA ASN 28 HA ASN 28 -1.636 1.781 9.675 145 HB2 ASN 28 HB2 ASN 28 -1.366 1.738 6.679 146 HB3 ASN 28 HB1 ASN 28 -1.607 0.227 7.529 147 HD21 ASN 28 HD21 ASN 28 -3.311 2.709 6.046 148 HD22 ASN 28 HD22 ASN 28 -4.783 2.540 6.861 149 H ILE 29 HN ILE 29 1.155 2.178 7.524 150 HA ILE 29 HA ILE 29 2.568 0.137 9.147 151 HB ILE 29 HB ILE 29 2.880 0.587 6.199 152 HG12 ILE 29 HG12 ILE 29 1.866 -1.854 7.685 153 HG13 ILE 29 HG11 ILE 29 0.781 -0.603 7.076 154 HG21 ILE 29 HG21 ILE 29 4.322 -1.481 6.431 155 HG22 ILE 29 HG22 ILE 29 4.234 -1.269 8.179 156 HG23 ILE 29 HG23 ILE 29 5.002 -0.036 7.179 157 HD11 ILE 29 HD11 ILE 29 0.988 -2.432 5.444 158 HD12 ILE 29 HD12 ILE 29 2.737 -2.210 5.407 159 HD13 ILE 29 HD13 ILE 29 1.673 -0.942 4.795 160 HA PRO 30 HA PRO 30 5.178 3.832 9.623 161 HB2 PRO 30 HB2 PRO 30 6.762 2.824 11.621 162 HB3 PRO 30 HB1 PRO 30 5.119 3.430 11.909 163 HG2 PRO 30 HG2 PRO 30 6.075 0.618 11.633 164 HG3 PRO 30 HG1 PRO 30 4.865 1.294 12.741 165 HD2 PRO 30 HD2 PRO 30 4.246 -0.068 10.453 166 HD3 PRO 30 HD1 PRO 30 3.175 1.160 11.181 167 H ASP 31 HN ASP 31 6.023 0.636 8.731 168 HA ASP 31 HA ASP 31 8.860 1.284 8.153 169 HB2 ASP 31 HB2 ASP 31 7.221 -1.258 7.819 170 HB3 ASP 31 HB1 ASP 31 8.926 -1.115 7.388 171 H PHE 32 HN PHE 32 6.033 1.986 6.728 172 HA PHE 32 HA PHE 32 6.164 1.095 4.055 173 HD1 PHE 32 HD2 PHE 32 4.193 1.188 2.590 174 HD2 PHE 32 HD1 PHE 32 5.206 5.293 3.323 175 HE1 PHE 32 HE2 PHE 32 3.670 1.733 0.234 176 HE2 PHE 32 HE1 PHE 32 4.682 5.844 0.965 177 HZ PHE 32 HZ PHE 32 3.912 4.066 -0.583 178 HB2 PHE 32 HB2 PHE 32 4.230 2.302 4.972 179 HB3 PHE 32 HB1 PHE 32 5.195 3.771 5.114 180 H ASN 33 HN ASN 33 7.482 1.501 2.445 181 HA ASN 33 HA ASN 33 9.415 3.798 2.641 182 HB2 ASN 33 HB2 ASN 33 9.722 1.013 1.469 183 HB3 ASN 33 HB1 ASN 33 10.853 2.328 1.143 184 HD21 ASN 33 HD21 ASN 33 11.660 -0.056 2.549 185 HD22 ASN 33 HD22 ASN 33 12.046 0.380 4.144 186 H THR 34 HN THR 34 8.009 1.583 0.197 187 HA THR 34 HA THR 34 7.201 3.927 -1.440 188 HB THR 34 HB THR 34 9.441 3.451 -2.247 189 HG1 THR 34 HG1 THR 34 7.487 2.298 -3.945 190 HG21 THR 34 HG21 THR 34 9.657 1.152 -1.391 191 HG22 THR 34 HG22 THR 34 10.045 1.217 -3.110 192 HG23 THR 34 HG23 THR 34 8.483 0.592 -2.582 193 H VAL 35 HN VAL 35 5.921 3.203 -3.346 194 HA VAL 35 HA VAL 35 4.471 0.623 -2.874 195 HB VAL 35 HB VAL 35 3.061 2.336 -1.928 196 HG11 VAL 35 HG11 VAL 35 2.426 4.355 -3.114 197 HG12 VAL 35 HG12 VAL 35 3.325 3.844 -4.542 198 HG13 VAL 35 HG13 VAL 35 4.185 4.265 -3.062 199 HG21 VAL 35 HG21 VAL 35 1.089 2.020 -3.206 200 HG22 VAL 35 HG22 VAL 35 2.082 0.607 -3.559 201 HG23 VAL 35 HG23 VAL 35 1.989 1.930 -4.720 202 H THR 36 HN THR 36 4.111 -0.514 -4.669 203 HA THR 36 HA THR 36 4.708 0.757 -7.332 204 HB THR 36 HB THR 36 5.104 -2.111 -6.408 205 HG1 THR 36 HG1 THR 36 6.928 -1.252 -5.840 206 HG21 THR 36 HG21 THR 36 6.243 -2.193 -8.739 207 HG22 THR 36 HG22 THR 36 5.274 -0.766 -9.103 208 HG23 THR 36 HG23 THR 36 4.484 -2.285 -8.674 209 H PHE 37 HN PHE 37 2.771 1.221 -8.147 210 HA PHE 37 HA PHE 37 0.419 -0.464 -7.720 211 HD1 PHE 37 HD2 PHE 37 -1.169 1.035 -6.502 212 HD2 PHE 37 HD1 PHE 37 1.713 3.664 -8.302 213 HE1 PHE 37 HE2 PHE 37 -1.171 2.440 -4.458 214 HE2 PHE 37 HE1 PHE 37 1.712 5.066 -6.257 215 HZ PHE 37 HZ PHE 37 0.273 4.449 -4.329 216 HB2 PHE 37 HB2 PHE 37 0.789 1.912 -9.577 217 HB3 PHE 37 HB1 PHE 37 -0.747 1.200 -9.076 218 H THR 38 HN THR 38 -0.489 -1.838 -9.154 219 HA THR 38 HA THR 38 0.982 -2.355 -11.727 220 HB THR 38 HB THR 38 0.374 -4.720 -11.433 221 HG1 THR 38 HG1 THR 38 -0.490 -5.319 -9.360 222 HG21 THR 38 HG21 THR 38 2.515 -4.070 -10.552 223 HG22 THR 38 HG22 THR 38 1.775 -5.154 -9.374 224 HG23 THR 38 HG23 THR 38 1.778 -3.412 -9.091 225 H ASN 39 HN ASN 39 -2.130 -2.199 -10.065 226 HA ASN 39 HA ASN 39 -4.319 -2.054 -10.889 227 HB2 ASN 39 HB2 ASN 39 -2.775 -0.775 -13.154 228 HB3 ASN 39 HB1 ASN 39 -4.535 -0.756 -13.035 229 HD21 ASN 39 HD21 ASN 39 -2.634 1.560 -12.854 230 HD22 ASN 39 HD22 ASN 39 -2.935 2.284 -11.348 231 H GLU 40 HN GLU 40 -4.446 -4.381 -11.019 232 HA GLU 40 HA GLU 40 -4.871 -5.306 -13.815 233 HB2 GLU 40 HB2 GLU 40 -3.669 -7.405 -13.387 234 HB3 GLU 40 HB1 GLU 40 -2.585 -6.026 -13.215 235 HG2 GLU 40 HG2 GLU 40 -2.922 -6.090 -10.751 236 HG3 GLU 40 HG1 GLU 40 -3.943 -7.516 -10.941 237 H GLU 41 HN GLU 41 -6.553 -4.559 -11.487 238 HA GLU 41 HA GLU 41 -8.344 -6.857 -11.601 239 HB2 GLU 41 HB2 GLU 41 -6.810 -7.532 -9.779 240 HB3 GLU 41 HB1 GLU 41 -7.193 -6.041 -8.917 241 HG2 GLU 41 HG2 GLU 41 -9.557 -6.690 -8.796 242 HG3 GLU 41 HG1 GLU 41 -9.220 -8.150 -9.727 243 H PHE 42 HN PHE 42 -10.392 -6.223 -11.402 244 HA PHE 42 HA PHE 42 -10.976 -3.466 -10.361 245 HD1 PHE 42 HD2 PHE 42 -14.423 -5.059 -12.024 246 HD2 PHE 42 HD1 PHE 42 -10.631 -5.654 -13.956 247 HE1 PHE 42 HE2 PHE 42 -15.320 -7.068 -13.171 248 HE2 PHE 42 HE1 PHE 42 -11.531 -7.660 -15.104 249 HZ PHE 42 HZ PHE 42 -13.874 -8.368 -14.710 250 HB2 PHE 42 HB2 PHE 42 -12.710 -3.277 -12.080 251 HB3 PHE 42 HB1 PHE 42 -11.140 -3.554 -12.828 252 H ASN 43 HN ASN 43 -12.814 -3.239 -9.149 253 HA ASN 43 HA ASN 43 -14.013 -5.756 -8.155 254 HB2 ASN 43 HB2 ASN 43 -13.825 -2.950 -7.053 255 HB3 ASN 43 HB1 ASN 43 -15.000 -4.086 -6.396 256 HD21 ASN 43 HD21 ASN 43 -12.988 -3.241 -4.676 257 HD22 ASN 43 HD22 ASN 43 -11.876 -4.497 -4.413 258 HA PRO 44 HA PRO 44 -17.833 -4.992 -10.267 259 HB2 PRO 44 HB2 PRO 44 -19.602 -6.183 -8.522 260 HB3 PRO 44 HB1 PRO 44 -18.494 -7.102 -9.559 261 HG2 PRO 44 HG2 PRO 44 -18.205 -6.376 -6.672 262 HG3 PRO 44 HG1 PRO 44 -17.869 -7.919 -7.485 263 HD2 PRO 44 HD2 PRO 44 -15.897 -6.181 -6.845 264 HD3 PRO 44 HD1 PRO 44 -15.820 -7.199 -8.303 265 H ILE 45 HN ILE 45 -17.319 -3.861 -7.037 266 HA ILE 45 HA ILE 45 -19.724 -2.098 -7.104 267 HB ILE 45 HB ILE 45 -19.112 -1.617 -4.742 268 HG12 ILE 45 HG12 ILE 45 -16.941 -3.700 -5.152 269 HG13 ILE 45 HG11 ILE 45 -16.634 -1.969 -5.045 270 HG21 ILE 45 HG21 ILE 45 -20.535 -3.606 -5.485 271 HG22 ILE 45 HG22 ILE 45 -19.824 -3.722 -3.876 272 HG23 ILE 45 HG23 ILE 45 -19.105 -4.603 -5.224 273 HD11 ILE 45 HD11 ILE 45 -17.824 -2.005 -2.802 274 HD12 ILE 45 HD12 ILE 45 -16.279 -2.853 -2.849 275 HD13 ILE 45 HD13 ILE 45 -17.787 -3.767 -2.903 276 H GLY 46 HN GLY 46 -16.513 -2.030 -8.043 277 HA2 GLY 46 HA2 GLY 46 -16.437 0.626 -8.866 278 HA3 GLY 46 HA1 GLY 46 -15.815 0.667 -7.219 279 H ILE 47 HN ILE 47 -13.907 1.468 -8.486 280 HA ILE 47 HA ILE 47 -12.353 -0.501 -9.995 281 HB ILE 47 HB ILE 47 -10.632 1.300 -10.067 282 HG12 ILE 47 HG12 ILE 47 -12.659 2.938 -8.513 283 HG13 ILE 47 HG11 ILE 47 -11.190 2.270 -7.807 284 HG21 ILE 47 HG21 ILE 47 -12.567 1.161 -11.683 285 HG22 ILE 47 HG22 ILE 47 -11.881 2.776 -11.502 286 HG23 ILE 47 HG23 ILE 47 -13.397 2.366 -10.697 287 HD11 ILE 47 HD11 ILE 47 -10.929 4.651 -8.537 288 HD12 ILE 47 HD12 ILE 47 -11.233 4.141 -10.195 289 HD13 ILE 47 HD13 ILE 47 -9.807 3.554 -9.340 290 H SER 48 HN SER 48 -10.239 -1.177 -9.365 291 HA SER 48 HA SER 48 -9.639 -1.098 -6.448 292 HG SER 48 HG SER 48 -9.515 -4.265 -5.697 293 HB2 SER 48 HB2 SER 48 -10.885 -3.184 -6.875 294 HB3 SER 48 HB1 SER 48 -9.741 -3.607 -8.146 295 H ILE 49 HN ILE 49 -7.499 -1.105 -5.973 296 HA ILE 49 HA ILE 49 -5.591 -1.057 -8.294 297 HB ILE 49 HB ILE 49 -5.445 0.342 -5.603 298 HG12 ILE 49 HG12 ILE 49 -5.658 1.505 -8.394 299 HG13 ILE 49 HG11 ILE 49 -7.063 1.220 -7.366 300 HG21 ILE 49 HG21 ILE 49 -3.209 -0.194 -6.239 301 HG22 ILE 49 HG22 ILE 49 -3.459 1.465 -6.784 302 HG23 ILE 49 HG23 ILE 49 -3.535 0.136 -7.941 303 HD11 ILE 49 HD11 ILE 49 -6.381 3.523 -7.063 304 HD12 ILE 49 HD12 ILE 49 -4.709 3.035 -6.777 305 HD13 ILE 49 HD13 ILE 49 -5.957 2.637 -5.597 306 H ASP 50 HN ASP 50 -4.105 -2.563 -8.349 307 HA ASP 50 HA ASP 50 -3.507 -4.166 -5.878 308 HB2 ASP 50 HB2 ASP 50 -3.622 -4.980 -8.795 309 HB3 ASP 50 HB1 ASP 50 -2.894 -5.982 -7.540 310 H GLY 51 HN GLY 51 -1.382 -4.792 -5.546 311 HA2 GLY 51 HA2 GLY 51 0.872 -4.504 -7.129 312 HA3 GLY 51 HA1 GLY 51 0.634 -2.899 -6.443 313 H TYR 52 HN TYR 52 2.642 -3.190 -5.311 314 HA TYR 52 HA TYR 52 2.273 -4.517 -2.693 315 HD1 TYR 52 HD1 TYR 52 6.279 -4.106 -3.941 316 HD2 TYR 52 HD2 TYR 52 3.350 -6.188 -6.294 317 HE1 TYR 52 HE1 TYR 52 7.623 -3.695 -5.985 318 HE2 TYR 52 HE2 TYR 52 4.697 -5.775 -8.335 319 HH TYR 52 HH TYR 52 7.850 -4.135 -8.154 320 HB2 TYR 52 HB2 TYR 52 4.564 -5.575 -2.899 321 HB3 TYR 52 HB1 TYR 52 3.304 -6.314 -3.883 322 H ILE 53 HN ILE 53 4.082 -3.998 -1.215 323 HA ILE 53 HA ILE 53 5.242 -1.280 -1.790 324 HB ILE 53 HB ILE 53 4.961 -0.782 0.585 325 HG12 ILE 53 HG12 ILE 53 3.518 -3.454 0.776 326 HG13 ILE 53 HG11 ILE 53 5.135 -3.162 1.409 327 HG21 ILE 53 HG21 ILE 53 2.352 -1.844 -0.539 328 HG22 ILE 53 HG22 ILE 53 3.115 -0.349 -1.083 329 HG23 ILE 53 HG23 ILE 53 2.564 -0.500 0.584 330 HD11 ILE 53 HD11 ILE 53 3.932 -1.123 2.628 331 HD12 ILE 53 HD12 ILE 53 3.907 -2.739 3.304 332 HD13 ILE 53 HD13 ILE 53 2.513 -2.141 2.403 333 H ASN 54 HN ASN 54 7.115 -0.798 -0.385 334 HA ASN 54 HA ASN 54 9.313 -1.218 0.250 335 HB2 ASN 54 HB2 ASN 54 7.957 -3.715 1.280 336 HB3 ASN 54 HB1 ASN 54 9.653 -3.352 1.577 337 HD21 ASN 54 HD21 ASN 54 6.466 -2.786 2.714 338 HD22 ASN 54 HD22 ASN 54 6.828 -1.541 3.810 339 H ASN 55 HN ASN 55 8.488 -1.903 -2.424 340 HA ASN 55 HA ASN 55 9.134 -3.162 -4.301 341 HB2 ASN 55 HB2 ASN 55 11.139 -1.705 -3.539 342 HB3 ASN 55 HB1 ASN 55 11.848 -3.221 -2.980 343 HD21 ASN 55 HD21 ASN 55 11.314 -1.240 -5.756 344 HD22 ASN 55 HD22 ASN 55 11.867 -2.339 -6.925 345 H ASP 56 HN ASP 56 8.098 -4.777 -2.143 346 HA ASP 56 HA ASP 56 9.715 -7.294 -2.499 347 HB2 ASP 56 HB2 ASP 56 7.910 -6.384 -0.243 348 HB3 ASP 56 HB1 ASP 56 8.493 -8.042 -0.415 349 H LYS 57 HN LYS 57 8.810 -8.362 -4.132 350 HA LYS 57 HA LYS 57 6.139 -8.177 -5.053 351 HB2 LYS 57 HB2 LYS 57 8.190 -10.395 -5.333 352 HB3 LYS 57 HB1 LYS 57 6.649 -10.383 -6.193 353 HG2 LYS 57 HG2 LYS 57 7.229 -8.205 -7.210 354 HG3 LYS 57 HG1 LYS 57 8.777 -8.223 -6.363 355 HD2 LYS 57 HD2 LYS 57 9.427 -10.274 -7.547 356 HD3 LYS 57 HD1 LYS 57 7.861 -10.323 -8.352 357 HE2 LYS 57 HE2 LYS 57 9.531 -9.363 -9.861 358 HE3 LYS 57 HE1 LYS 57 8.356 -8.130 -9.415 359 HZ1 LYS 57 HZ1 LYS 57 10.394 -7.086 -9.151 360 HZ2 LYS 57 HZ2 LYS 57 11.139 -8.459 -8.482 361 HZ3 LYS 57 HZ3 LYS 57 10.015 -7.567 -7.569 362 H ASN 58 HN ASN 58 7.590 -10.345 -2.653 363 HA ASN 58 HA ASN 58 5.388 -12.145 -2.371 364 HB2 ASN 58 HB2 ASN 58 7.593 -11.285 -0.475 365 HB3 ASN 58 HB1 ASN 58 6.368 -12.466 -0.005 366 HD21 ASN 58 HD21 ASN 58 9.444 -12.510 -0.933 367 HD22 ASN 58 HD22 ASN 58 9.475 -13.878 -1.939 368 H LEU 59 HN LEU 59 6.077 -8.999 -0.869 369 HA LEU 59 HA LEU 59 3.727 -9.167 0.892 370 HG LEU 59 HG LEU 59 6.837 -8.633 1.122 371 HB2 LEU 59 HB2 LEU 59 5.475 -6.762 0.268 372 HB3 LEU 59 HB1 LEU 59 4.370 -6.943 1.630 373 HD11 LEU 59 HD11 LEU 59 7.855 -7.464 2.920 374 HD12 LEU 59 HD12 LEU 59 6.324 -6.752 3.430 375 HD13 LEU 59 HD13 LEU 59 7.101 -6.202 1.946 376 HD21 LEU 59 HD21 LEU 59 6.224 -9.322 3.583 377 HD22 LEU 59 HD22 LEU 59 5.368 -10.078 2.244 378 HD23 LEU 59 HD23 LEU 59 4.607 -8.766 3.149 379 H SER 60 HN SER 60 2.107 -9.499 -0.728 380 HA SER 60 HA SER 60 1.620 -7.451 -2.761 381 HG SER 60 HG SER 60 -1.503 -9.112 -3.196 382 HB2 SER 60 HB2 SER 60 0.999 -9.765 -3.225 383 HB3 SER 60 HB1 SER 60 -0.064 -9.794 -1.821 384 H PHE 61 HN PHE 61 0.018 -5.953 -2.792 385 HA PHE 61 HA PHE 61 -1.689 -5.571 -0.378 386 HD1 PHE 61 HD1 PHE 61 -2.291 -4.003 1.211 387 HD2 PHE 61 HD2 PHE 61 -0.691 -1.340 -1.760 388 HE1 PHE 61 HE1 PHE 61 -3.867 -2.235 1.941 389 HE2 PHE 61 HE2 PHE 61 -2.252 0.413 -1.024 390 HZ PHE 61 HZ PHE 61 -3.855 -0.022 0.824 391 HB2 PHE 61 HB2 PHE 61 0.219 -4.137 0.047 392 HB3 PHE 61 HB1 PHE 61 0.183 -3.505 -1.590 393 H THR 62 HN THR 62 -3.700 -5.066 -0.930 394 HA THR 62 HA THR 62 -4.245 -3.792 -3.577 395 HB THR 62 HB THR 62 -5.615 -6.242 -2.441 396 HG1 THR 62 HG1 THR 62 -3.574 -6.306 -3.712 397 HG21 THR 62 HG21 THR 62 -6.400 -4.281 -4.584 398 HG22 THR 62 HG22 THR 62 -7.407 -5.055 -3.361 399 HG23 THR 62 HG23 THR 62 -6.839 -5.980 -4.751 400 H ALA 63 HN ALA 63 -5.752 -2.251 -3.524 401 HA ALA 63 HA ALA 63 -7.486 -1.957 -1.099 402 HB1 ALA 63 HB1 ALA 63 -6.144 0.393 -2.447 403 HB2 ALA 63 HB2 ALA 63 -5.401 -0.455 -1.089 404 HB3 ALA 63 HB3 ALA 63 -6.958 0.343 -0.881 405 H GLY 64 HN GLY 64 -9.496 -1.133 -1.497 406 HA2 GLY 64 HA2 GLY 64 -10.397 -1.112 -4.310 407 HA3 GLY 64 HA1 GLY 64 -11.430 -1.167 -2.893 408 H LYS 65 HN LYS 65 -12.246 0.507 -4.714 409 HA LYS 65 HA LYS 65 -11.222 3.113 -4.923 410 HB2 LYS 65 HB2 LYS 65 -13.177 2.179 -6.203 411 HB3 LYS 65 HB1 LYS 65 -14.167 2.386 -4.758 412 HG2 LYS 65 HG2 LYS 65 -13.716 4.796 -4.763 413 HG3 LYS 65 HG1 LYS 65 -12.657 4.613 -6.162 414 HD2 LYS 65 HD2 LYS 65 -14.580 3.759 -7.482 415 HD3 LYS 65 HD1 LYS 65 -15.629 4.004 -6.088 416 HE2 LYS 65 HE2 LYS 65 -14.058 6.169 -7.522 417 HE3 LYS 65 HE1 LYS 65 -15.798 5.907 -7.642 418 HZ1 LYS 65 HZ1 LYS 65 -15.710 6.115 -5.086 419 HZ2 LYS 65 HZ2 LYS 65 -15.649 7.524 -6.034 420 HZ3 LYS 65 HZ3 LYS 65 -14.225 6.889 -5.357 421 H ASP 66 HN ASP 66 -11.133 4.815 -3.639 422 HA ASP 66 HA ASP 66 -11.224 6.149 -1.735 423 HB2 ASP 66 HB2 ASP 66 -13.958 4.872 -1.665 424 HB3 ASP 66 HB1 ASP 66 -13.455 6.107 -0.515 425 H VAL 67 HN VAL 67 -10.024 3.539 -1.522 426 HA VAL 67 HA VAL 67 -9.125 2.125 0.098 427 HB VAL 67 HB VAL 67 -10.212 4.164 2.070 428 HG11 VAL 67 HG11 VAL 67 -8.115 1.991 2.200 429 HG12 VAL 67 HG12 VAL 67 -9.548 2.173 3.211 430 HG13 VAL 67 HG13 VAL 67 -8.200 3.298 3.380 431 HG21 VAL 67 HG21 VAL 67 -7.572 4.041 0.571 432 HG22 VAL 67 HG22 VAL 67 -7.889 5.112 1.935 433 HG23 VAL 67 HG23 VAL 67 -8.797 5.303 0.435 434 H LYS 68 HN LYS 68 -11.816 3.360 2.027 435 HA LYS 68 HA LYS 68 -13.436 2.150 3.241 436 HB2 LYS 68 HB2 LYS 68 -13.764 1.252 0.372 437 HB3 LYS 68 HB1 LYS 68 -14.904 0.802 1.639 438 HG2 LYS 68 HG2 LYS 68 -15.320 3.182 2.128 439 HG3 LYS 68 HG1 LYS 68 -14.162 3.648 0.881 440 HD2 LYS 68 HD2 LYS 68 -15.553 2.462 -0.814 441 HD3 LYS 68 HD1 LYS 68 -16.736 2.103 0.444 442 HE2 LYS 68 HE2 LYS 68 -15.860 4.908 -0.300 443 HE3 LYS 68 HE1 LYS 68 -17.311 4.130 -0.929 444 HZ1 LYS 68 HZ1 LYS 68 -18.349 4.221 1.078 445 HZ2 LYS 68 HZ2 LYS 68 -17.384 5.614 1.212 446 HZ3 LYS 68 HZ3 LYS 68 -16.907 4.169 1.970 447 H ILE 69 HN ILE 69 -13.049 -0.413 0.932 448 HA ILE 69 HA ILE 69 -12.081 -2.228 3.113 449 HB ILE 69 HB ILE 69 -13.592 -2.845 0.548 450 HG12 ILE 69 HG12 ILE 69 -14.451 -3.174 3.440 451 HG13 ILE 69 HG11 ILE 69 -14.873 -1.767 2.463 452 HG21 ILE 69 HG21 ILE 69 -13.709 -5.148 1.676 453 HG22 ILE 69 HG22 ILE 69 -12.417 -4.579 2.731 454 HG23 ILE 69 HG23 ILE 69 -12.150 -4.692 0.992 455 HD11 ILE 69 HD11 ILE 69 -15.518 -4.631 1.700 456 HD12 ILE 69 HD12 ILE 69 -16.042 -3.174 0.855 457 HD13 ILE 69 HD13 ILE 69 -16.656 -3.526 2.470 458 H PHE 70 HN PHE 70 -10.211 -3.285 2.835 459 HA PHE 70 HA PHE 70 -8.891 -3.283 0.159 460 HD1 PHE 70 HD2 PHE 70 -8.975 -1.130 3.741 461 HD2 PHE 70 HD1 PHE 70 -5.804 -3.892 2.865 462 HE1 PHE 70 HE2 PHE 70 -8.530 -1.391 6.167 463 HE2 PHE 70 HE1 PHE 70 -5.360 -4.152 5.289 464 HZ PHE 70 HZ PHE 70 -6.723 -2.902 6.941 465 HB2 PHE 70 HB2 PHE 70 -6.787 -2.537 1.113 466 HB3 PHE 70 HB1 PHE 70 -8.028 -1.336 1.466 467 H SER 71 HN SER 71 -6.977 -4.714 0.181 468 HA SER 71 HA SER 71 -7.207 -6.978 2.123 469 HG SER 71 HG SER 71 -6.057 -8.902 -0.515 470 HB2 SER 71 HB2 SER 71 -8.406 -7.703 0.160 471 HB3 SER 71 HB1 SER 71 -7.127 -7.132 -0.905 472 H SER 72 HN SER 72 -5.302 -8.124 2.442 473 HA SER 72 HA SER 72 -2.814 -7.253 1.107 474 HG SER 72 HG SER 72 -3.274 -7.739 4.706 475 HB2 SER 72 HB2 SER 72 -1.752 -6.844 3.374 476 HB3 SER 72 HB1 SER 72 -2.905 -5.619 2.856 477 H SER 73 HN SER 73 -0.993 -8.597 1.708 478 HA SER 73 HA SER 73 -1.758 -11.393 1.946 479 HG SER 73 HG SER 73 1.288 -9.239 1.071 480 HB2 SER 73 HB2 SER 73 0.746 -11.752 1.859 481 HB3 SER 73 HB1 SER 73 0.083 -10.855 0.498 482 H GLU 74 HN GLU 74 -0.670 -12.843 3.476 483 HA GLU 74 HA GLU 74 -1.262 -12.187 6.179 484 HB2 GLU 74 HB2 GLU 74 0.508 -14.375 5.010 485 HB3 GLU 74 HB1 GLU 74 0.008 -14.305 6.696 486 HG2 GLU 74 HG2 GLU 74 -1.648 -15.691 5.810 487 HG3 GLU 74 HG1 GLU 74 -2.434 -14.123 5.673 488 H GLU 75 HN GLU 75 1.813 -12.295 4.410 489 HA GLU 75 HA GLU 75 3.490 -11.652 6.645 490 HB2 GLU 75 HB2 GLU 75 3.883 -11.268 3.659 491 HB3 GLU 75 HB1 GLU 75 5.147 -10.974 4.856 492 HG2 GLU 75 HG2 GLU 75 5.003 -13.298 5.621 493 HG3 GLU 75 HG1 GLU 75 3.688 -13.610 4.488 494 H LEU 76 HN LEU 76 1.693 -9.709 4.330 495 HA LEU 76 HA LEU 76 2.858 -7.185 5.249 496 HG LEU 76 HG LEU 76 0.175 -5.614 4.421 497 HB2 LEU 76 HB2 LEU 76 2.150 -7.373 2.929 498 HB3 LEU 76 HB1 LEU 76 0.518 -7.826 3.417 499 HD11 LEU 76 HD11 LEU 76 2.013 -3.878 3.894 500 HD12 LEU 76 HD12 LEU 76 3.085 -5.263 3.688 501 HD13 LEU 76 HD13 LEU 76 2.297 -4.970 5.237 502 HD21 LEU 76 HD21 LEU 76 0.038 -4.358 2.404 503 HD22 LEU 76 HD22 LEU 76 -0.125 -6.045 1.915 504 HD23 LEU 76 HD23 LEU 76 1.412 -5.210 1.700 505 H ASP 77 HN ASP 77 0.110 -9.182 5.999 506 HA ASP 77 HA ASP 77 -1.561 -7.222 7.261 507 HB2 ASP 77 HB2 ASP 77 -2.353 -9.469 6.570 508 HB3 ASP 77 HB1 ASP 77 -1.327 -10.210 7.797 509 H LYS 78 HN LYS 78 0.919 -9.439 8.539 510 HA LYS 78 HA LYS 78 0.568 -8.618 11.294 511 HB2 LYS 78 HB2 LYS 78 2.525 -9.953 11.751 512 HB3 LYS 78 HB1 LYS 78 1.584 -10.797 10.525 513 HG2 LYS 78 HG2 LYS 78 3.053 -9.804 8.773 514 HG3 LYS 78 HG1 LYS 78 4.044 -9.080 10.034 515 HD2 LYS 78 HD2 LYS 78 4.453 -11.358 10.967 516 HD3 LYS 78 HD1 LYS 78 3.572 -12.039 9.600 517 HE2 LYS 78 HE2 LYS 78 5.187 -10.968 8.046 518 HE3 LYS 78 HE1 LYS 78 6.079 -10.339 9.426 519 HZ1 LYS 78 HZ1 LYS 78 7.096 -12.274 9.679 520 HZ2 LYS 78 HZ2 LYS 78 6.385 -12.804 8.229 521 HZ3 LYS 78 HZ3 LYS 78 5.626 -13.119 9.716 522 H MET 79 HN MET 79 2.004 -7.025 8.672 523 HA MET 79 HA MET 79 4.098 -5.663 10.218 524 HB2 MET 79 HB2 MET 79 3.005 -5.286 7.423 525 HB3 MET 79 HB1 MET 79 4.243 -4.233 8.107 526 HG2 MET 79 HG2 MET 79 5.704 -6.171 8.484 527 HG3 MET 79 HG1 MET 79 4.462 -7.248 7.850 528 HE1 MET 79 HE1 MET 79 7.102 -4.220 5.774 529 HE2 MET 79 HE2 MET 79 6.539 -4.265 7.442 530 HE3 MET 79 HE3 MET 79 5.514 -3.564 6.194 531 H PHE 80 HN PHE 80 0.748 -5.359 9.936 532 HA PHE 80 HA PHE 80 0.486 -2.484 10.005 533 HD1 PHE 80 HD1 PHE 80 -0.672 -5.191 8.193 534 HD2 PHE 80 HD2 PHE 80 -2.779 -1.705 9.563 535 HE1 PHE 80 HE1 PHE 80 -1.459 -4.753 5.882 536 HE2 PHE 80 HE2 PHE 80 -3.563 -1.270 7.255 537 HZ PHE 80 HZ PHE 80 -2.904 -2.795 5.413 538 HB2 PHE 80 HB2 PHE 80 -1.333 -4.799 10.675 539 HB3 PHE 80 HB1 PHE 80 -1.811 -3.166 11.137 540 H GLN 81 HN GLN 81 0.561 -1.101 11.656 541 HA GLN 81 HA GLN 81 1.579 -2.100 14.255 542 HB2 GLN 81 HB2 GLN 81 2.683 -0.177 13.084 543 HB3 GLN 81 HB1 GLN 81 1.200 0.760 13.292 544 HG2 GLN 81 HG2 GLN 81 1.367 0.472 15.742 545 HG3 GLN 81 HG1 GLN 81 2.852 -0.453 15.527 546 HE21 GLN 81 HE21 GLN 81 4.436 0.956 16.345 547 HE22 GLN 81 HE22 GLN 81 4.670 2.546 15.802 548 H GLU 82 HN GLU 82 -0.635 0.602 13.545 549 HA GLU 82 HA GLU 82 -2.150 -0.064 15.959 550 HB2 GLU 82 HB2 GLU 82 -3.466 2.094 15.090 551 HB3 GLU 82 HB1 GLU 82 -1.888 2.246 15.855 552 HG2 GLU 82 HG2 GLU 82 -0.779 2.497 13.774 553 HG3 GLU 82 HG1 GLU 82 -2.168 1.896 12.868 554 HA PRO 83 HA PRO 83 -5.589 -2.231 14.244 555 HB2 PRO 83 HB2 PRO 83 -7.308 0.035 15.218 556 HB3 PRO 83 HB1 PRO 83 -7.501 -1.714 15.464 557 HG2 PRO 83 HG2 PRO 83 -6.548 -0.101 17.390 558 HG3 PRO 83 HG1 PRO 83 -5.997 -1.774 17.196 559 HD2 PRO 83 HD2 PRO 83 -4.545 0.742 16.612 560 HD3 PRO 83 HD1 PRO 83 -3.917 -0.884 16.952 561 H ARG 84 HN ARG 84 -7.358 -2.020 12.652 562 HA ARG 84 HA ARG 84 -6.562 -0.440 10.386 563 HE ARG 84 HE ARG 84 -6.456 -5.101 9.001 564 HB2 ARG 84 HB2 ARG 84 -9.081 -2.035 10.949 565 HB3 ARG 84 HB1 ARG 84 -8.718 -1.289 9.392 566 HG2 ARG 84 HG2 ARG 84 -6.621 -2.589 9.259 567 HG3 ARG 84 HG1 ARG 84 -6.999 -3.348 10.808 568 HD2 ARG 84 HD2 ARG 84 -9.080 -4.283 9.847 569 HD3 ARG 84 HD1 ARG 84 -8.696 -3.535 8.295 570 HH11 ARG 84 HH21 ARG 84 -9.839 -5.524 8.320 571 HH12 ARG 84 HH22 ARG 84 -9.626 -7.123 7.687 572 HH21 ARG 84 HH11 ARG 84 -6.198 -7.169 8.178 573 HH22 ARG 84 HH12 ARG 84 -7.576 -8.047 7.604 574 H LYS 85 HN LYS 85 -7.274 1.468 9.671 575 HA LYS 85 HA LYS 85 -9.594 2.785 11.028 576 HB2 LYS 85 HB2 LYS 85 -6.860 4.000 10.501 577 HB3 LYS 85 HB1 LYS 85 -8.280 4.912 11.015 578 HG2 LYS 85 HG2 LYS 85 -8.431 3.550 13.061 579 HG3 LYS 85 HG1 LYS 85 -7.024 2.618 12.552 580 HD2 LYS 85 HD2 LYS 85 -5.653 4.677 12.578 581 HD3 LYS 85 HD1 LYS 85 -7.059 5.602 13.105 582 HE2 LYS 85 HE2 LYS 85 -7.206 4.220 15.146 583 HE3 LYS 85 HE1 LYS 85 -5.800 3.295 14.620 584 HZ1 LYS 85 HZ1 LYS 85 -4.740 5.657 14.466 585 HZ2 LYS 85 HZ2 LYS 85 -4.825 4.848 15.958 586 HZ3 LYS 85 HZ3 LYS 85 -5.952 6.063 15.581 587 H GLY 86 HN GLY 86 -10.844 3.976 9.703 588 HA2 GLY 86 HA2 GLY 86 -10.648 3.602 6.843 589 HA3 GLY 86 HA1 GLY 86 -11.846 4.589 7.679 590 H TYR 87 HN TYR 87 -10.743 5.476 5.335 591 HA TYR 87 HA TYR 87 -8.422 7.115 5.563 592 HD1 TYR 87 HD2 TYR 87 -7.146 7.878 3.498 593 HD2 TYR 87 HD1 TYR 87 -11.025 9.711 3.242 594 HE1 TYR 87 HE2 TYR 87 -6.105 9.971 2.663 595 HE2 TYR 87 HE1 TYR 87 -9.982 11.803 2.413 596 HH TYR 87 HH TYR 87 -7.833 12.426 1.200 597 HB2 TYR 87 HB2 TYR 87 -9.375 6.539 3.386 598 HB3 TYR 87 HB1 TYR 87 -10.855 7.419 3.769 599 H ASP 88 HN ASP 88 -11.869 7.801 6.057 600 HA ASP 88 HA ASP 88 -11.619 10.603 6.575 601 HB2 ASP 88 HB2 ASP 88 -13.684 8.492 7.188 602 HB3 ASP 88 HB1 ASP 88 -13.852 10.078 7.938 603 H GLU 89 HN GLU 89 -11.413 7.783 8.729 604 HA GLU 89 HA GLU 89 -11.428 9.246 11.187 605 HB2 GLU 89 HB2 GLU 89 -11.666 6.694 10.804 606 HB3 GLU 89 HB1 GLU 89 -9.900 6.660 10.784 607 HG2 GLU 89 HG2 GLU 89 -11.548 7.859 13.034 608 HG3 GLU 89 HG1 GLU 89 -10.905 6.221 13.056 609 H ILE 90 HN ILE 90 -8.714 8.132 9.130 610 HA ILE 90 HA ILE 90 -6.691 9.217 10.911 611 HB ILE 90 HB ILE 90 -5.137 8.818 9.006 612 HG12 ILE 90 HG12 ILE 90 -7.601 7.876 7.532 613 HG13 ILE 90 HG11 ILE 90 -6.796 9.405 7.204 614 HG21 ILE 90 HG21 ILE 90 -5.557 6.346 8.869 615 HG22 ILE 90 HG22 ILE 90 -7.107 6.616 9.664 616 HG23 ILE 90 HG23 ILE 90 -5.604 6.986 10.510 617 HD11 ILE 90 HD11 ILE 90 -5.972 7.757 5.618 618 HD12 ILE 90 HD12 ILE 90 -5.591 6.637 6.925 619 HD13 ILE 90 HD13 ILE 90 -4.679 8.137 6.755 620 H LEU 91 HN LEU 91 -8.464 10.496 8.138 621 HA LEU 91 HA LEU 91 -6.786 12.752 7.646 622 HG LEU 91 HG LEU 91 -9.070 14.825 7.155 623 HB2 LEU 91 HB2 LEU 91 -8.519 12.053 6.040 624 HB3 LEU 91 HB1 LEU 91 -9.785 12.456 7.199 625 HD11 LEU 91 HD11 LEU 91 -7.438 15.367 5.169 626 HD12 LEU 91 HD12 LEU 91 -6.921 13.693 5.367 627 HD13 LEU 91 HD13 LEU 91 -6.767 14.834 6.706 628 HD21 LEU 91 HD21 LEU 91 -9.612 13.519 4.479 629 HD22 LEU 91 HD22 LEU 91 -9.638 15.266 4.723 630 HD23 LEU 91 HD23 LEU 91 -10.786 14.238 5.582 631 H GLU 92 HN GLU 92 -9.541 12.264 9.811 632 HA GLU 92 HA GLU 92 -10.020 14.867 10.717 633 HB2 GLU 92 HB2 GLU 92 -11.283 12.822 11.438 634 HB3 GLU 92 HB1 GLU 92 -9.914 12.374 12.459 635 HG2 GLU 92 HG2 GLU 92 -10.136 14.466 13.719 636 HG3 GLU 92 HG1 GLU 92 -11.460 14.973 12.674 637 H HIS 93 HN HIS 93 -7.301 12.770 11.349 638 HA HIS 93 HA HIS 93 -6.191 14.720 13.333 639 HD1 HIS 93 HD1 HIS 93 -7.951 11.259 13.407 640 HD2 HIS 93 HD2 HIS 93 -5.706 13.212 16.328 641 HE1 HIS 93 HE1 HIS 93 -9.213 10.985 15.586 642 HB2 HIS 93 HB2 HIS 93 -5.462 11.846 12.688 643 HB3 HIS 93 HB1 HIS 93 -4.545 12.869 13.793 644 H HIS 94 HN HIS 94 -4.690 16.077 12.675 645 HA HIS 94 HA HIS 94 -2.710 15.312 10.608 646 HD1 HIS 94 HD1 HIS 94 -2.173 15.928 7.965 647 HD2 HIS 94 HD2 HIS 94 -2.712 19.700 9.655 648 HE1 HIS 94 HE1 HIS 94 -0.470 17.453 6.872 649 HB2 HIS 94 HB2 HIS 94 -4.508 16.310 9.277 650 HB3 HIS 94 HB1 HIS 94 -4.549 17.720 10.336 651 H HIS 95 HN HIS 95 -3.923 18.060 12.564 652 HA HIS 95 HA HIS 95 -1.355 19.325 12.845 653 HD1 HIS 95 HD1 HIS 95 -5.457 18.865 13.080 654 HD2 HIS 95 HD2 HIS 95 -3.819 19.494 16.862 655 HE1 HIS 95 HE1 HIS 95 -7.144 17.980 14.748 656 HB2 HIS 95 HB2 HIS 95 -2.483 20.610 14.679 657 HB3 HIS 95 HB1 HIS 95 -3.404 20.597 13.176 658 H HIS 96 HN HIS 96 -3.092 16.911 14.714 659 HA HIS 96 HA HIS 96 -2.446 15.559 16.503 660 HD1 HIS 96 HD1 HIS 96 1.208 16.018 17.985 661 HD2 HIS 96 HD2 HIS 96 -0.769 12.638 16.554 662 HE1 HIS 96 HE1 HIS 96 1.744 14.138 19.596 663 HB2 HIS 96 HB2 HIS 96 -0.680 14.920 14.901 664 HB3 HIS 96 HB1 HIS 96 0.332 16.230 15.504 665 H HIS 97 HN HIS 97 -1.532 15.581 18.620 666 HA HIS 97 HA HIS 97 -0.312 18.065 19.615 667 HD1 HIS 97 HD1 HIS 97 -3.996 16.505 18.637 668 HD2 HIS 97 HD2 HIS 97 -3.433 16.455 22.767 669 HE1 HIS 97 HE1 HIS 97 -5.610 14.785 19.559 670 HB2 HIS 97 HB2 HIS 97 -2.082 18.409 21.319 671 HB3 HIS 97 HB1 HIS 97 -2.687 18.638 19.680 672 H HIS 98 HN HIS 98 0.261 17.860 21.900 673 HA HIS 98 HA HIS 98 1.545 15.389 22.485 674 HD1 HIS 98 HD1 HIS 98 2.500 19.627 24.044 675 HD2 HIS 98 HD2 HIS 98 3.685 16.202 21.983 676 HE1 HIS 98 HE1 HIS 98 4.543 20.274 22.692 677 HB2 HIS 98 HB2 HIS 98 0.831 17.731 24.289 678 HB3 HIS 98 HB1 HIS 98 1.893 16.405 24.761 Start of MODEL 16 1 HA ALA 12 HA ALA 12 -7.605 10.004 -14.387 2 H1 ALA 12 HN ALA 12 -7.053 12.878 -14.384 3 HB1 ALA 12 HB1 ALA 12 -5.429 10.857 -15.138 4 HB2 ALA 12 HB2 ALA 12 -5.223 9.819 -13.727 5 HB3 ALA 12 HB3 ALA 12 -5.148 11.573 -13.551 6 H PHE 13 HN PHE 13 -9.279 10.043 -12.720 7 HA PHE 13 HA PHE 13 -8.802 10.921 -10.032 8 HD1 PHE 13 HD2 PHE 13 -10.342 6.972 -10.222 9 HD2 PHE 13 HD1 PHE 13 -11.335 10.022 -13.081 10 HE1 PHE 13 HE2 PHE 13 -10.876 5.228 -11.903 11 HE2 PHE 13 HE1 PHE 13 -11.867 8.275 -14.760 12 HZ PHE 13 HZ PHE 13 -11.639 5.878 -14.169 13 HB2 PHE 13 HB2 PHE 13 -10.723 9.314 -9.527 14 HB3 PHE 13 HB1 PHE 13 -11.064 10.563 -10.726 15 H PHE 14 HN PHE 14 -7.536 8.315 -11.798 16 HA PHE 14 HA PHE 14 -7.267 6.336 -9.736 17 HD1 PHE 14 HD2 PHE 14 -7.154 3.811 -10.913 18 HD2 PHE 14 HD1 PHE 14 -7.439 7.032 -13.742 19 HE1 PHE 14 HE2 PHE 14 -8.958 2.603 -12.108 20 HE2 PHE 14 HE1 PHE 14 -9.245 5.822 -14.937 21 HZ PHE 14 HZ PHE 14 -10.005 3.607 -14.119 22 HB2 PHE 14 HB2 PHE 14 -5.603 6.928 -12.198 23 HB3 PHE 14 HB1 PHE 14 -5.348 5.522 -11.167 24 H ASN 15 HN ASN 15 -5.306 9.117 -10.691 25 HA ASN 15 HA ASN 15 -3.033 8.585 -9.042 26 HB2 ASN 15 HB2 ASN 15 -4.246 11.126 -10.142 27 HB3 ASN 15 HB1 ASN 15 -2.768 11.139 -9.179 28 HD21 ASN 15 HD21 ASN 15 -2.768 11.945 -11.932 29 HD22 ASN 15 HD22 ASN 15 -1.870 10.812 -12.823 30 H GLU 16 HN GLU 16 -6.061 10.332 -8.417 31 HA GLU 16 HA GLU 16 -5.374 11.266 -5.791 32 HB2 GLU 16 HB2 GLU 16 -8.077 10.628 -7.014 33 HB3 GLU 16 HB1 GLU 16 -7.833 11.536 -5.521 34 HG2 GLU 16 HG2 GLU 16 -6.708 12.342 -8.219 35 HG3 GLU 16 HG1 GLU 16 -8.178 13.009 -7.509 36 H GLN 17 HN GLN 17 -6.961 8.310 -6.959 37 HA GLN 17 HA GLN 17 -7.630 7.264 -4.374 38 HB2 GLN 17 HB2 GLN 17 -8.310 6.520 -6.836 39 HB3 GLN 17 HB1 GLN 17 -6.931 5.439 -6.671 40 HG2 GLN 17 HG2 GLN 17 -9.361 5.582 -4.864 41 HG3 GLN 17 HG1 GLN 17 -8.901 4.252 -5.927 42 HE21 GLN 17 HE21 GLN 17 -9.008 4.838 -2.761 43 HE22 GLN 17 HE22 GLN 17 -7.594 4.066 -2.230 44 H LYS 18 HN LYS 18 -4.773 6.875 -6.448 45 HA LYS 18 HA LYS 18 -3.423 4.964 -4.804 46 HB2 LYS 18 HB2 LYS 18 -2.399 7.036 -6.760 47 HB3 LYS 18 HB1 LYS 18 -1.356 5.846 -5.982 48 HG2 LYS 18 HG2 LYS 18 -2.716 4.021 -6.934 49 HG3 LYS 18 HG1 LYS 18 -3.774 5.205 -7.701 50 HD2 LYS 18 HD2 LYS 18 -1.883 6.067 -9.017 51 HD3 LYS 18 HD1 LYS 18 -0.801 4.914 -8.236 52 HE2 LYS 18 HE2 LYS 18 -2.124 3.044 -9.148 53 HE3 LYS 18 HE1 LYS 18 -3.216 4.191 -9.924 54 HZ1 LYS 18 HZ1 LYS 18 -1.669 3.541 -11.552 55 HZ2 LYS 18 HZ2 LYS 18 -0.347 3.730 -10.502 56 HZ3 LYS 18 HZ3 LYS 18 -1.187 5.095 -11.069 57 H GLU 19 HN GLU 19 -3.411 8.519 -4.826 58 HA GLU 19 HA GLU 19 -1.366 8.893 -2.877 59 HB2 GLU 19 HB2 GLU 19 -2.342 10.709 -4.287 60 HB3 GLU 19 HB1 GLU 19 -3.826 10.607 -3.338 61 HG2 GLU 19 HG2 GLU 19 -2.602 11.186 -1.298 62 HG3 GLU 19 HG1 GLU 19 -1.085 11.224 -2.197 63 H LYS 20 HN LYS 20 -4.894 8.496 -2.508 64 HA LYS 20 HA LYS 20 -4.961 8.857 0.329 65 HB2 LYS 20 HB2 LYS 20 -6.761 7.284 -1.532 66 HB3 LYS 20 HB1 LYS 20 -7.127 7.578 0.169 67 HG2 LYS 20 HG2 LYS 20 -7.044 10.012 -0.228 68 HG3 LYS 20 HG1 LYS 20 -6.666 9.724 -1.927 69 HD2 LYS 20 HD2 LYS 20 -8.818 8.485 -2.162 70 HD3 LYS 20 HD1 LYS 20 -9.206 8.894 -0.490 71 HE2 LYS 20 HE2 LYS 20 -8.620 10.938 -2.652 72 HE3 LYS 20 HE1 LYS 20 -10.242 10.460 -2.151 73 HZ1 LYS 20 HZ1 LYS 20 -9.155 12.507 -1.069 74 HZ2 LYS 20 HZ2 LYS 20 -8.278 11.375 -0.154 75 HZ3 LYS 20 HZ3 LYS 20 -9.975 11.402 -0.079 76 H VAL 21 HN VAL 21 -4.577 5.933 -1.667 77 HA VAL 21 HA VAL 21 -4.541 4.079 0.526 78 HB VAL 21 HB VAL 21 -3.301 3.904 -2.237 79 HG11 VAL 21 HG11 VAL 21 -3.612 1.882 -0.013 80 HG12 VAL 21 HG12 VAL 21 -2.172 2.269 -0.954 81 HG13 VAL 21 HG13 VAL 21 -3.500 1.385 -1.702 82 HG21 VAL 21 HG21 VAL 21 -5.297 2.690 -2.830 83 HG22 VAL 21 HG22 VAL 21 -5.810 4.184 -2.046 84 HG23 VAL 21 HG23 VAL 21 -5.846 2.663 -1.154 85 H THR 22 HN THR 22 -1.962 5.809 -1.193 86 HA THR 22 HA THR 22 0.252 4.618 0.142 87 HB THR 22 HB THR 22 -0.078 7.418 -0.978 88 HG1 THR 22 HG1 THR 22 -0.231 5.278 -2.245 89 HG21 THR 22 HG21 THR 22 2.486 7.127 -1.224 90 HG22 THR 22 HG22 THR 22 2.316 5.882 0.013 91 HG23 THR 22 HG23 THR 22 1.845 7.548 0.364 92 H LEU 23 HN LEU 23 -1.662 7.516 0.944 93 HA LEU 23 HA LEU 23 -0.153 8.266 3.253 94 HG LEU 23 HG LEU 23 -1.942 9.286 5.046 95 HB2 LEU 23 HB2 LEU 23 -1.885 9.668 2.047 96 HB3 LEU 23 HB1 LEU 23 -3.120 8.664 2.796 97 HD11 LEU 23 HD11 LEU 23 -0.887 11.425 3.176 98 HD12 LEU 23 HD12 LEU 23 0.051 10.353 4.213 99 HD13 LEU 23 HD13 LEU 23 -0.953 11.610 4.926 100 HD21 LEU 23 HD21 LEU 23 -3.529 11.305 3.431 101 HD22 LEU 23 HD22 LEU 23 -3.281 11.394 5.175 102 HD23 LEU 23 HD23 LEU 23 -4.187 10.050 4.481 103 H TYR 24 HN TYR 24 -2.994 6.181 2.842 104 HA TYR 24 HA TYR 24 -3.504 5.654 5.587 105 HD1 TYR 24 HD1 TYR 24 -5.963 4.460 6.218 106 HD2 TYR 24 HD2 TYR 24 -3.605 1.757 3.856 107 HE1 TYR 24 HE1 TYR 24 -6.645 2.581 7.684 108 HE2 TYR 24 HE2 TYR 24 -4.293 -0.124 5.318 109 HH TYR 24 HH TYR 24 -6.431 -0.538 6.892 110 HB2 TYR 24 HB2 TYR 24 -5.132 5.049 3.907 111 HB3 TYR 24 HB1 TYR 24 -3.980 3.984 3.101 112 H LEU 25 HN LEU 25 -1.434 3.910 3.261 113 HA LEU 25 HA LEU 25 -0.679 1.817 5.050 114 HG LEU 25 HG LEU 25 -1.496 1.890 2.330 115 HB2 LEU 25 HB2 LEU 25 0.742 3.022 2.665 116 HB3 LEU 25 HB1 LEU 25 1.289 1.564 3.487 117 HD11 LEU 25 HD11 LEU 25 -0.713 0.543 0.431 118 HD12 LEU 25 HD12 LEU 25 0.916 0.512 1.107 119 HD13 LEU 25 HD13 LEU 25 0.219 2.035 0.553 120 HD21 LEU 25 HD21 LEU 25 -1.189 -0.738 2.378 121 HD22 LEU 25 HD22 LEU 25 -1.636 0.111 3.850 122 HD23 LEU 25 HD23 LEU 25 0.037 -0.382 3.594 123 H LYS 26 HN LYS 26 0.833 4.979 4.400 124 HA LYS 26 HA LYS 26 3.150 4.562 6.006 125 HB2 LYS 26 HB2 LYS 26 1.630 7.067 5.267 126 HB3 LYS 26 HB1 LYS 26 3.135 7.104 6.185 127 HG2 LYS 26 HG2 LYS 26 4.267 5.876 4.346 128 HG3 LYS 26 HG1 LYS 26 2.763 5.898 3.425 129 HD2 LYS 26 HD2 LYS 26 2.785 8.316 3.320 130 HD3 LYS 26 HD1 LYS 26 4.164 8.396 4.417 131 HE2 LYS 26 HE2 LYS 26 4.941 8.693 2.120 132 HE3 LYS 26 HE1 LYS 26 5.526 7.151 2.743 133 HZ1 LYS 26 HZ1 LYS 26 4.630 6.310 0.903 134 HZ2 LYS 26 HZ2 LYS 26 3.685 7.689 0.602 135 HZ3 LYS 26 HZ3 LYS 26 3.136 6.498 1.682 136 H HIS 27 HN HIS 27 -0.076 5.794 6.883 137 HA HIS 27 HA HIS 27 0.614 6.455 9.598 138 HD1 HIS 27 HD1 HIS 27 0.019 8.540 9.956 139 HD2 HIS 27 HD2 HIS 27 -2.717 8.036 6.856 140 HE1 HIS 27 HE1 HIS 27 -0.240 10.806 8.857 141 HB2 HIS 27 HB2 HIS 27 -2.016 5.783 8.264 142 HB3 HIS 27 HB1 HIS 27 -1.893 6.281 9.952 143 H ASN 28 HN ASN 28 -0.632 3.488 8.094 144 HA ASN 28 HA ASN 28 -0.668 2.124 10.731 145 HB2 ASN 28 HB2 ASN 28 -1.478 1.314 7.931 146 HB3 ASN 28 HB1 ASN 28 -1.468 0.182 9.283 147 HD21 ASN 28 HD21 ASN 28 -3.922 0.835 7.999 148 HD22 ASN 28 HD22 ASN 28 -4.875 1.748 9.066 149 H ILE 29 HN ILE 29 1.537 2.768 8.281 150 HA ILE 29 HA ILE 29 3.333 0.597 9.251 151 HB ILE 29 HB ILE 29 3.100 1.247 6.308 152 HG12 ILE 29 HG12 ILE 29 1.739 -0.966 7.871 153 HG13 ILE 29 HG11 ILE 29 0.933 0.364 7.043 154 HG21 ILE 29 HG21 ILE 29 4.167 -1.202 7.719 155 HG22 ILE 29 HG22 ILE 29 5.179 0.174 7.283 156 HG23 ILE 29 HG23 ILE 29 4.375 -0.764 6.024 157 HD11 ILE 29 HD11 ILE 29 2.080 -0.457 4.907 158 HD12 ILE 29 HD12 ILE 29 0.798 -1.486 5.546 159 HD13 ILE 29 HD13 ILE 29 2.488 -1.915 5.811 160 HA PRO 30 HA PRO 30 5.310 4.829 9.226 161 HB2 PRO 30 HB2 PRO 30 6.821 3.446 11.416 162 HB3 PRO 30 HB1 PRO 30 6.095 5.067 11.399 163 HG2 PRO 30 HG2 PRO 30 4.973 3.083 12.765 164 HG3 PRO 30 HG1 PRO 30 3.977 4.265 11.890 165 HD2 PRO 30 HD2 PRO 30 4.664 1.441 11.119 166 HD3 PRO 30 HD1 PRO 30 3.131 2.322 10.918 167 H ASP 31 HN ASP 31 6.552 1.549 9.183 168 HA ASP 31 HA ASP 31 9.224 2.341 8.265 169 HB2 ASP 31 HB2 ASP 31 7.826 -0.339 8.514 170 HB3 ASP 31 HB1 ASP 31 9.496 -0.151 7.981 171 H PHE 32 HN PHE 32 6.400 2.640 6.811 172 HA PHE 32 HA PHE 32 6.462 1.190 4.398 173 HD1 PHE 32 HD2 PHE 32 6.424 4.902 2.874 174 HD2 PHE 32 HD1 PHE 32 3.700 1.583 2.911 175 HE1 PHE 32 HE2 PHE 32 6.000 5.227 0.455 176 HE2 PHE 32 HE1 PHE 32 3.277 1.903 0.492 177 HZ PHE 32 HZ PHE 32 4.429 3.727 -0.740 178 HB2 PHE 32 HB2 PHE 32 4.524 2.507 4.969 179 HB3 PHE 32 HB1 PHE 32 5.473 3.989 4.996 180 H ASN 33 HN ASN 33 7.746 1.280 2.641 181 HA ASN 33 HA ASN 33 9.840 3.404 2.489 182 HB2 ASN 33 HB2 ASN 33 9.535 0.660 1.253 183 HB3 ASN 33 HB1 ASN 33 10.781 1.796 0.733 184 HD21 ASN 33 HD21 ASN 33 11.436 -0.711 1.980 185 HD22 ASN 33 HD22 ASN 33 12.145 -0.382 3.487 186 H THR 34 HN THR 34 8.051 1.499 0.046 187 HA THR 34 HA THR 34 7.059 3.980 -1.206 188 HB THR 34 HB THR 34 9.257 3.820 -2.211 189 HG1 THR 34 HG1 THR 34 6.983 3.613 -3.538 190 HG21 THR 34 HG21 THR 34 9.998 1.797 -3.374 191 HG22 THR 34 HG22 THR 34 8.495 0.980 -2.943 192 HG23 THR 34 HG23 THR 34 9.647 1.430 -1.685 193 H VAL 35 HN VAL 35 5.681 3.407 -3.167 194 HA VAL 35 HA VAL 35 4.454 0.684 -2.891 195 HB VAL 35 HB VAL 35 2.963 2.243 -1.787 196 HG11 VAL 35 HG11 VAL 35 3.938 4.276 -2.965 197 HG12 VAL 35 HG12 VAL 35 2.186 4.276 -2.789 198 HG13 VAL 35 HG13 VAL 35 2.915 3.863 -4.341 199 HG21 VAL 35 HG21 VAL 35 2.031 0.507 -3.385 200 HG22 VAL 35 HG22 VAL 35 1.877 1.797 -4.575 201 HG23 VAL 35 HG23 VAL 35 0.968 1.877 -3.068 202 H THR 36 HN THR 36 4.001 -0.321 -4.808 203 HA THR 36 HA THR 36 4.415 1.256 -7.333 204 HB THR 36 HB THR 36 5.245 -1.598 -6.747 205 HG1 THR 36 HG1 THR 36 7.344 -0.612 -7.115 206 HG21 THR 36 HG21 THR 36 4.620 -1.440 -9.051 207 HG22 THR 36 HG22 THR 36 6.379 -1.316 -9.006 208 HG23 THR 36 HG23 THR 36 5.398 0.134 -9.221 209 H PHE 37 HN PHE 37 2.664 1.229 -8.595 210 HA PHE 37 HA PHE 37 0.574 -0.867 -8.157 211 HD1 PHE 37 HD2 PHE 37 -1.677 0.046 -7.018 212 HD2 PHE 37 HD1 PHE 37 1.067 3.278 -7.717 213 HE1 PHE 37 HE2 PHE 37 -2.135 0.931 -4.745 214 HE2 PHE 37 HE1 PHE 37 0.607 4.159 -5.443 215 HZ PHE 37 HZ PHE 37 -0.993 2.985 -3.959 216 HB2 PHE 37 HB2 PHE 37 0.433 1.850 -9.509 217 HB3 PHE 37 HB1 PHE 37 -0.918 0.728 -9.343 218 H THR 38 HN THR 38 0.610 -2.471 -9.620 219 HA THR 38 HA THR 38 1.139 -1.822 -12.480 220 HB THR 38 HB THR 38 3.297 -2.594 -11.770 221 HG1 THR 38 HG1 THR 38 2.334 -3.645 -13.626 222 HG21 THR 38 HG21 THR 38 3.457 -4.849 -10.573 223 HG22 THR 38 HG22 THR 38 1.732 -4.682 -10.250 224 HG23 THR 38 HG23 THR 38 2.867 -3.493 -9.612 225 H ASN 39 HN ASN 39 -1.103 -2.665 -10.534 226 HA ASN 39 HA ASN 39 -2.324 -4.616 -12.385 227 HB2 ASN 39 HB2 ASN 39 -1.235 -6.080 -10.753 228 HB3 ASN 39 HB1 ASN 39 -1.958 -5.179 -9.422 229 HD21 ASN 39 HD21 ASN 39 -2.605 -7.810 -9.367 230 HD22 ASN 39 HD22 ASN 39 -4.177 -8.091 -9.944 231 H GLU 40 HN GLU 40 -4.096 -3.370 -12.882 232 HA GLU 40 HA GLU 40 -5.796 -2.406 -10.602 233 HB2 GLU 40 HB2 GLU 40 -6.346 -0.397 -11.906 234 HB3 GLU 40 HB1 GLU 40 -4.611 -0.479 -11.606 235 HG2 GLU 40 HG2 GLU 40 -4.305 -1.483 -13.869 236 HG3 GLU 40 HG1 GLU 40 -6.032 -1.277 -14.164 237 H GLU 41 HN GLU 41 -7.984 -2.768 -10.860 238 HA GLU 41 HA GLU 41 -8.930 -3.833 -13.492 239 HB2 GLU 41 HB2 GLU 41 -9.341 -5.089 -10.763 240 HB3 GLU 41 HB1 GLU 41 -10.258 -5.543 -12.202 241 HG2 GLU 41 HG2 GLU 41 -8.177 -6.138 -13.362 242 HG3 GLU 41 HG1 GLU 41 -7.239 -5.647 -11.950 243 H PHE 42 HN PHE 42 -11.239 -3.620 -13.786 244 HA PHE 42 HA PHE 42 -12.336 -1.299 -12.277 245 HD1 PHE 42 HD1 PHE 42 -11.255 -3.054 -15.829 246 HD2 PHE 42 HD2 PHE 42 -15.363 -3.144 -14.571 247 HE1 PHE 42 HE1 PHE 42 -11.650 -5.041 -17.260 248 HE2 PHE 42 HE2 PHE 42 -15.756 -5.132 -16.002 249 HZ PHE 42 HZ PHE 42 -13.900 -6.079 -17.348 250 HB2 PHE 42 HB2 PHE 42 -13.965 -1.194 -14.143 251 HB3 PHE 42 HB1 PHE 42 -12.297 -1.123 -14.714 252 H ASN 43 HN ASN 43 -13.809 -1.649 -10.724 253 HA ASN 43 HA ASN 43 -15.129 -4.301 -10.537 254 HB2 ASN 43 HB2 ASN 43 -14.615 -2.006 -8.653 255 HB3 ASN 43 HB1 ASN 43 -15.894 -3.154 -8.271 256 HD21 ASN 43 HD21 ASN 43 -12.756 -3.817 -9.878 257 HD22 ASN 43 HD22 ASN 43 -12.189 -4.885 -8.687 258 HA PRO 44 HA PRO 44 -19.034 -2.719 -11.973 259 HB2 PRO 44 HB2 PRO 44 -20.799 -4.161 -10.421 260 HB3 PRO 44 HB1 PRO 44 -19.891 -4.865 -11.774 261 HG2 PRO 44 HG2 PRO 44 -19.292 -4.969 -8.845 262 HG3 PRO 44 HG1 PRO 44 -19.207 -6.265 -10.056 263 HD2 PRO 44 HD2 PRO 44 -16.987 -4.969 -9.214 264 HD3 PRO 44 HD1 PRO 44 -17.153 -5.530 -10.890 265 H ILE 45 HN ILE 45 -18.206 -2.540 -8.598 266 HA ILE 45 HA ILE 45 -20.326 -0.494 -8.083 267 HB ILE 45 HB ILE 45 -19.689 -0.795 -5.704 268 HG12 ILE 45 HG12 ILE 45 -17.819 -2.936 -6.775 269 HG13 ILE 45 HG11 ILE 45 -17.293 -1.383 -6.127 270 HG21 ILE 45 HG21 ILE 45 -20.591 -3.044 -5.449 271 HG22 ILE 45 HG22 ILE 45 -20.159 -3.440 -7.112 272 HG23 ILE 45 HG23 ILE 45 -21.417 -2.247 -6.787 273 HD11 ILE 45 HD11 ILE 45 -18.795 -3.544 -4.628 274 HD12 ILE 45 HD12 ILE 45 -18.436 -1.945 -3.975 275 HD13 ILE 45 HD13 ILE 45 -17.121 -3.052 -4.372 276 H GLY 46 HN GLY 46 -17.175 -0.704 -9.122 277 HA2 GLY 46 HA2 GLY 46 -16.597 1.993 -9.227 278 HA3 GLY 46 HA1 GLY 46 -16.033 1.512 -7.626 279 H ILE 47 HN ILE 47 -13.816 1.400 -7.822 280 HA ILE 47 HA ILE 47 -12.725 -0.352 -10.005 281 HB ILE 47 HB ILE 47 -10.737 1.122 -10.062 282 HG12 ILE 47 HG12 ILE 47 -12.410 3.021 -8.388 283 HG13 ILE 47 HG11 ILE 47 -11.092 2.053 -7.728 284 HG21 ILE 47 HG21 ILE 47 -13.412 2.445 -10.579 285 HG22 ILE 47 HG22 ILE 47 -12.505 1.435 -11.704 286 HG23 ILE 47 HG23 ILE 47 -11.875 3.013 -11.230 287 HD11 ILE 47 HD11 ILE 47 -10.112 4.155 -8.234 288 HD12 ILE 47 HD12 ILE 47 -10.938 4.254 -9.787 289 HD13 ILE 47 HD13 ILE 47 -9.625 3.101 -9.561 290 H SER 48 HN SER 48 -10.693 -1.363 -9.507 291 HA SER 48 HA SER 48 -10.167 -1.720 -6.580 292 HG SER 48 HG SER 48 -11.043 -3.160 -9.502 293 HB2 SER 48 HB2 SER 48 -9.507 -4.116 -7.336 294 HB3 SER 48 HB1 SER 48 -11.223 -3.742 -7.198 295 H ILE 49 HN ILE 49 -8.026 -1.611 -6.024 296 HA ILE 49 HA ILE 49 -6.007 -1.466 -8.242 297 HB ILE 49 HB ILE 49 -6.177 0.194 -5.714 298 HG12 ILE 49 HG12 ILE 49 -6.190 1.036 -8.625 299 HG13 ILE 49 HG11 ILE 49 -7.662 0.779 -7.690 300 HG21 ILE 49 HG21 ILE 49 -4.148 1.324 -6.820 301 HG22 ILE 49 HG22 ILE 49 -4.027 -0.125 -7.817 302 HG23 ILE 49 HG23 ILE 49 -3.863 -0.244 -6.065 303 HD11 ILE 49 HD11 ILE 49 -7.185 2.573 -6.226 304 HD12 ILE 49 HD12 ILE 49 -6.738 3.188 -7.817 305 HD13 ILE 49 HD13 ILE 49 -5.488 2.627 -6.706 306 H ASP 50 HN ASP 50 -4.335 -2.836 -8.008 307 HA ASP 50 HA ASP 50 -3.773 -3.996 -5.304 308 HB2 ASP 50 HB2 ASP 50 -5.069 -5.568 -6.792 309 HB3 ASP 50 HB1 ASP 50 -3.711 -5.524 -7.917 310 H GLY 51 HN GLY 51 -1.626 -4.108 -4.795 311 HA2 GLY 51 HA2 GLY 51 0.456 -4.111 -6.816 312 HA3 GLY 51 HA1 GLY 51 0.290 -2.534 -6.041 313 H TYR 52 HN TYR 52 2.499 -2.957 -5.210 314 HA TYR 52 HA TYR 52 2.342 -4.354 -2.590 315 HD1 TYR 52 HD1 TYR 52 6.098 -3.832 -4.377 316 HD2 TYR 52 HD2 TYR 52 2.975 -6.107 -6.255 317 HE1 TYR 52 HE1 TYR 52 7.120 -3.412 -6.601 318 HE2 TYR 52 HE2 TYR 52 4.001 -5.689 -8.469 319 HH TYR 52 HH TYR 52 6.470 -5.138 -9.278 320 HB2 TYR 52 HB2 TYR 52 4.612 -5.427 -3.093 321 HB3 TYR 52 HB1 TYR 52 3.216 -6.147 -3.891 322 H ILE 53 HN ILE 53 4.355 -3.903 -1.274 323 HA ILE 53 HA ILE 53 5.457 -1.187 -1.971 324 HB ILE 53 HB ILE 53 5.494 -0.704 0.439 325 HG12 ILE 53 HG12 ILE 53 3.995 -3.327 0.738 326 HG13 ILE 53 HG11 ILE 53 5.682 -3.094 1.191 327 HG21 ILE 53 HG21 ILE 53 3.069 -0.464 0.742 328 HG22 ILE 53 HG22 ILE 53 2.779 -1.647 -0.532 329 HG23 ILE 53 HG23 ILE 53 3.514 -0.094 -0.922 330 HD11 ILE 53 HD11 ILE 53 4.854 -1.139 2.642 331 HD12 ILE 53 HD12 ILE 53 4.474 -2.765 3.204 332 HD13 ILE 53 HD13 ILE 53 3.238 -1.801 2.397 333 H ASN 54 HN ASN 54 7.554 -0.699 -1.052 334 HA ASN 54 HA ASN 54 9.821 -1.171 -0.761 335 HB2 ASN 54 HB2 ASN 54 8.864 -3.725 0.563 336 HB3 ASN 54 HB1 ASN 54 10.390 -2.882 0.835 337 HD21 ASN 54 HD21 ASN 54 9.939 -2.478 3.116 338 HD22 ASN 54 HD22 ASN 54 8.744 -1.375 3.604 339 H ASN 55 HN ASN 55 8.500 -2.047 -3.198 340 HA ASN 55 HA ASN 55 8.838 -3.463 -5.044 341 HB2 ASN 55 HB2 ASN 55 11.610 -3.227 -3.853 342 HB3 ASN 55 HB1 ASN 55 11.294 -3.985 -5.413 343 HD21 ASN 55 HD21 ASN 55 9.049 -2.033 -6.014 344 HD22 ASN 55 HD22 ASN 55 9.823 -0.579 -6.410 345 H ASP 56 HN ASP 56 8.068 -4.791 -2.509 346 HA ASP 56 HA ASP 56 9.377 -7.463 -2.896 347 HB2 ASP 56 HB2 ASP 56 9.452 -6.361 -0.612 348 HB3 ASP 56 HB1 ASP 56 7.701 -6.563 -0.545 349 H LYS 57 HN LYS 57 8.187 -8.679 -4.246 350 HA LYS 57 HA LYS 57 5.460 -8.292 -4.929 351 HB2 LYS 57 HB2 LYS 57 7.219 -10.757 -5.037 352 HB3 LYS 57 HB1 LYS 57 5.616 -10.670 -5.765 353 HG2 LYS 57 HG2 LYS 57 6.335 -8.801 -7.186 354 HG3 LYS 57 HG1 LYS 57 7.916 -8.801 -6.409 355 HD2 LYS 57 HD2 LYS 57 8.230 -10.019 -8.430 356 HD3 LYS 57 HD1 LYS 57 8.138 -11.240 -7.163 357 HE2 LYS 57 HE2 LYS 57 5.902 -11.827 -7.750 358 HE3 LYS 57 HE1 LYS 57 5.700 -10.387 -8.744 359 HZ1 LYS 57 HZ1 LYS 57 7.380 -12.761 -9.292 360 HZ2 LYS 57 HZ2 LYS 57 7.557 -11.302 -10.145 361 HZ3 LYS 57 HZ3 LYS 57 6.091 -12.157 -10.214 362 H ASN 58 HN ASN 58 6.966 -10.193 -2.370 363 HA ASN 58 HA ASN 58 4.680 -11.704 -1.577 364 HB2 ASN 58 HB2 ASN 58 7.108 -10.701 -0.082 365 HB3 ASN 58 HB1 ASN 58 5.869 -11.676 0.706 366 HD21 ASN 58 HD21 ASN 58 8.508 -12.683 0.445 367 HD22 ASN 58 HD22 ASN 58 8.501 -13.973 -0.659 368 H LEU 59 HN LEU 59 5.793 -8.444 -0.690 369 HA LEU 59 HA LEU 59 3.586 -8.080 1.210 370 HG LEU 59 HG LEU 59 6.705 -7.873 1.170 371 HB2 LEU 59 HB2 LEU 59 5.499 -6.030 0.054 372 HB3 LEU 59 HB1 LEU 59 4.484 -5.827 1.483 373 HD11 LEU 59 HD11 LEU 59 6.613 -5.513 3.058 374 HD12 LEU 59 HD12 LEU 59 7.327 -5.397 1.450 375 HD13 LEU 59 HD13 LEU 59 8.000 -6.517 2.634 376 HD21 LEU 59 HD21 LEU 59 5.180 -8.869 2.663 377 HD22 LEU 59 HD22 LEU 59 4.680 -7.319 3.342 378 HD23 LEU 59 HD23 LEU 59 6.255 -7.998 3.752 379 H SER 60 HN SER 60 1.971 -8.670 -0.506 380 HA SER 60 HA SER 60 1.406 -6.478 -2.445 381 HG SER 60 HG SER 60 1.482 -7.998 -4.432 382 HB2 SER 60 HB2 SER 60 0.461 -9.331 -2.178 383 HB3 SER 60 HB1 SER 60 -0.348 -8.187 -3.245 384 H PHE 61 HN PHE 61 -0.763 -5.619 -2.584 385 HA PHE 61 HA PHE 61 -2.606 -6.144 -0.346 386 HD1 PHE 61 HD1 PHE 61 -3.364 -2.250 -1.404 387 HD2 PHE 61 HD2 PHE 61 0.696 -3.598 -1.005 388 HE1 PHE 61 HE1 PHE 61 -2.611 -0.423 -2.898 389 HE2 PHE 61 HE2 PHE 61 1.448 -1.769 -2.503 390 HZ PHE 61 HZ PHE 61 -0.206 -0.180 -3.448 391 HB2 PHE 61 HB2 PHE 61 -2.712 -3.816 0.366 392 HB3 PHE 61 HB1 PHE 61 -1.053 -4.388 0.507 393 H THR 62 HN THR 62 -4.725 -5.283 -0.739 394 HA THR 62 HA THR 62 -5.191 -4.251 -3.510 395 HB THR 62 HB THR 62 -6.766 -6.421 -2.100 396 HG1 THR 62 HG1 THR 62 -5.582 -7.725 -3.229 397 HG21 THR 62 HG21 THR 62 -8.302 -5.109 -3.367 398 HG22 THR 62 HG22 THR 62 -7.911 -6.498 -4.383 399 HG23 THR 62 HG23 THR 62 -7.160 -4.934 -4.701 400 H ALA 63 HN ALA 63 -6.540 -2.513 -3.561 401 HA ALA 63 HA ALA 63 -8.298 -1.999 -1.191 402 HB1 ALA 63 HB1 ALA 63 -6.331 -0.628 -0.840 403 HB2 ALA 63 HB2 ALA 63 -7.646 0.421 -1.368 404 HB3 ALA 63 HB3 ALA 63 -6.382 -0.051 -2.505 405 H GLY 64 HN GLY 64 -10.232 -0.987 -1.685 406 HA2 GLY 64 HA2 GLY 64 -10.943 -0.945 -4.563 407 HA3 GLY 64 HA1 GLY 64 -12.077 -0.927 -3.223 408 H LYS 65 HN LYS 65 -12.737 0.820 -5.006 409 HA LYS 65 HA LYS 65 -11.499 3.316 -5.232 410 HB2 LYS 65 HB2 LYS 65 -13.577 2.540 -6.422 411 HB3 LYS 65 HB1 LYS 65 -14.484 2.889 -4.953 412 HG2 LYS 65 HG2 LYS 65 -13.822 5.236 -5.050 413 HG3 LYS 65 HG1 LYS 65 -12.796 4.918 -6.448 414 HD2 LYS 65 HD2 LYS 65 -14.786 4.225 -7.746 415 HD3 LYS 65 HD1 LYS 65 -15.810 4.572 -6.351 416 HE2 LYS 65 HE2 LYS 65 -15.119 6.928 -6.405 417 HE3 LYS 65 HE1 LYS 65 -14.045 6.596 -7.763 418 HZ1 LYS 65 HZ1 LYS 65 -16.616 7.385 -7.976 419 HZ2 LYS 65 HZ2 LYS 65 -16.750 5.702 -8.170 420 HZ3 LYS 65 HZ3 LYS 65 -15.736 6.599 -9.196 421 H ASP 66 HN ASP 66 -11.173 5.009 -3.907 422 HA ASP 66 HA ASP 66 -11.086 6.273 -1.953 423 HB2 ASP 66 HB2 ASP 66 -13.480 6.634 -2.675 424 HB3 ASP 66 HB1 ASP 66 -13.946 5.357 -1.551 425 H VAL 67 HN VAL 67 -10.136 3.612 -1.787 426 HA VAL 67 HA VAL 67 -9.428 2.055 -0.208 427 HB VAL 67 HB VAL 67 -10.379 4.115 1.810 428 HG11 VAL 67 HG11 VAL 67 -8.435 3.040 3.109 429 HG12 VAL 67 HG12 VAL 67 -8.513 1.740 1.922 430 HG13 VAL 67 HG13 VAL 67 -9.902 2.078 2.951 431 HG21 VAL 67 HG21 VAL 67 -7.875 4.722 1.739 432 HG22 VAL 67 HG22 VAL 67 -8.880 5.281 0.402 433 HG23 VAL 67 HG23 VAL 67 -7.843 3.870 0.195 434 H LYS 68 HN LYS 68 -11.592 3.009 2.268 435 HA LYS 68 HA LYS 68 -13.422 1.962 3.234 436 HB2 LYS 68 HB2 LYS 68 -14.137 2.347 0.604 437 HB3 LYS 68 HB1 LYS 68 -14.313 0.601 0.727 438 HG2 LYS 68 HG2 LYS 68 -15.584 2.608 2.619 439 HG3 LYS 68 HG1 LYS 68 -16.417 1.792 1.298 440 HD2 LYS 68 HD2 LYS 68 -15.934 -0.392 2.327 441 HD3 LYS 68 HD1 LYS 68 -15.083 0.407 3.646 442 HE2 LYS 68 HE2 LYS 68 -17.145 1.587 4.277 443 HE3 LYS 68 HE1 LYS 68 -18.003 0.809 2.948 444 HZ1 LYS 68 HZ1 LYS 68 -17.680 -0.167 5.497 445 HZ2 LYS 68 HZ2 LYS 68 -16.632 -1.101 4.540 446 HZ3 LYS 68 HZ3 LYS 68 -18.284 -1.010 4.156 447 H ILE 69 HN ILE 69 -12.518 -0.351 0.655 448 HA ILE 69 HA ILE 69 -12.240 -2.460 2.759 449 HB ILE 69 HB ILE 69 -12.603 -2.693 -0.244 450 HG12 ILE 69 HG12 ILE 69 -14.545 -3.293 2.006 451 HG13 ILE 69 HG11 ILE 69 -14.559 -1.797 1.076 452 HG21 ILE 69 HG21 ILE 69 -13.086 -5.099 0.390 453 HG22 ILE 69 HG22 ILE 69 -12.458 -4.728 1.995 454 HG23 ILE 69 HG23 ILE 69 -11.404 -4.608 0.586 455 HD11 ILE 69 HD11 ILE 69 -14.833 -4.568 -0.119 456 HD12 ILE 69 HD12 ILE 69 -14.949 -3.039 -0.990 457 HD13 ILE 69 HD13 ILE 69 -16.179 -3.473 0.198 458 H PHE 70 HN PHE 70 -10.216 -2.978 3.290 459 HA PHE 70 HA PHE 70 -8.034 -2.689 1.250 460 HD1 PHE 70 HD1 PHE 70 -5.800 -0.878 1.426 461 HD2 PHE 70 HD2 PHE 70 -6.136 -3.431 4.860 462 HE1 PHE 70 HE1 PHE 70 -3.358 -1.301 1.349 463 HE2 PHE 70 HE2 PHE 70 -3.697 -3.851 4.791 464 HZ PHE 70 HZ PHE 70 -2.304 -2.788 3.032 465 HB2 PHE 70 HB2 PHE 70 -7.821 -0.873 2.860 466 HB3 PHE 70 HB1 PHE 70 -7.967 -2.004 4.206 467 H SER 71 HN SER 71 -6.778 -4.474 1.046 468 HA SER 71 HA SER 71 -6.902 -6.579 3.178 469 HG SER 71 HG SER 71 -7.386 -8.904 2.270 470 HB2 SER 71 HB2 SER 71 -8.386 -7.218 1.300 471 HB3 SER 71 HB1 SER 71 -7.040 -7.032 0.179 472 H SER 72 HN SER 72 -4.948 -7.588 3.565 473 HA SER 72 HA SER 72 -2.645 -6.950 1.780 474 HG SER 72 HG SER 72 -3.828 -5.979 5.005 475 HB2 SER 72 HB2 SER 72 -1.304 -6.550 3.911 476 HB3 SER 72 HB1 SER 72 -2.431 -5.278 3.458 477 H SER 73 HN SER 73 -0.860 -8.406 2.028 478 HA SER 73 HA SER 73 -1.683 -11.132 2.456 479 HG SER 73 HG SER 73 1.442 -9.062 1.874 480 HB2 SER 73 HB2 SER 73 0.617 -11.694 1.941 481 HB3 SER 73 HB1 SER 73 0.114 -10.382 0.880 482 H GLU 74 HN GLU 74 -0.357 -12.623 3.917 483 HA GLU 74 HA GLU 74 -0.782 -11.983 6.652 484 HB2 GLU 74 HB2 GLU 74 1.017 -14.035 5.333 485 HB3 GLU 74 HB1 GLU 74 0.689 -13.994 7.066 486 HG2 GLU 74 HG2 GLU 74 -1.714 -14.267 6.637 487 HG3 GLU 74 HG1 GLU 74 -1.419 -14.242 4.899 488 H GLU 75 HN GLU 75 2.250 -11.980 4.761 489 HA GLU 75 HA GLU 75 3.944 -11.165 6.925 490 HB2 GLU 75 HB2 GLU 75 4.240 -10.766 3.929 491 HB3 GLU 75 HB1 GLU 75 5.522 -10.501 5.104 492 HG2 GLU 75 HG2 GLU 75 5.968 -12.688 4.413 493 HG3 GLU 75 HG1 GLU 75 4.995 -12.970 5.853 494 H LEU 76 HN LEU 76 2.317 -9.323 4.355 495 HA LEU 76 HA LEU 76 3.288 -6.760 5.179 496 HG LEU 76 HG LEU 76 0.547 -5.265 4.522 497 HB2 LEU 76 HB2 LEU 76 2.362 -7.124 2.953 498 HB3 LEU 76 HB1 LEU 76 0.795 -7.536 3.641 499 HD11 LEU 76 HD11 LEU 76 3.370 -4.973 3.501 500 HD12 LEU 76 HD12 LEU 76 2.714 -4.530 5.079 501 HD13 LEU 76 HD13 LEU 76 2.323 -3.563 3.663 502 HD21 LEU 76 HD21 LEU 76 -0.010 -5.862 2.092 503 HD22 LEU 76 HD22 LEU 76 1.485 -5.036 1.659 504 HD23 LEU 76 HD23 LEU 76 0.186 -4.147 2.453 505 H ASP 77 HN ASP 77 0.399 -8.617 6.037 506 HA ASP 77 HA ASP 77 -0.946 -6.587 7.513 507 HB2 ASP 77 HB2 ASP 77 -2.012 -8.706 6.862 508 HB3 ASP 77 HB1 ASP 77 -0.925 -9.590 7.934 509 H LYS 78 HN LYS 78 1.617 -8.852 8.431 510 HA LYS 78 HA LYS 78 1.527 -8.273 11.251 511 HB2 LYS 78 HB2 LYS 78 3.679 -9.394 9.449 512 HB3 LYS 78 HB1 LYS 78 3.880 -9.237 11.194 513 HG2 LYS 78 HG2 LYS 78 1.894 -10.646 11.560 514 HG3 LYS 78 HG1 LYS 78 1.664 -10.787 9.820 515 HD2 LYS 78 HD2 LYS 78 3.869 -11.876 9.610 516 HD3 LYS 78 HD1 LYS 78 4.102 -11.738 11.354 517 HE2 LYS 78 HE2 LYS 78 2.095 -13.125 11.733 518 HE3 LYS 78 HE1 LYS 78 1.866 -13.269 9.990 519 HZ1 LYS 78 HZ1 LYS 78 3.169 -15.076 11.338 520 HZ2 LYS 78 HZ2 LYS 78 4.468 -14.003 11.115 521 HZ3 LYS 78 HZ3 LYS 78 3.649 -14.643 9.770 522 H MET 79 HN MET 79 2.638 -6.428 8.580 523 HA MET 79 HA MET 79 4.672 -4.956 10.106 524 HB2 MET 79 HB2 MET 79 3.400 -4.481 7.399 525 HB3 MET 79 HB1 MET 79 4.650 -3.449 8.088 526 HG2 MET 79 HG2 MET 79 6.163 -5.409 8.244 527 HG3 MET 79 HG1 MET 79 4.912 -6.412 7.513 528 HE1 MET 79 HE1 MET 79 7.473 -3.126 5.744 529 HE2 MET 79 HE2 MET 79 6.983 -3.389 7.414 530 HE3 MET 79 HE3 MET 79 5.907 -2.532 6.314 531 H PHE 80 HN PHE 80 1.292 -4.935 9.952 532 HA PHE 80 HA PHE 80 0.868 -2.081 10.217 533 HD1 PHE 80 HD1 PHE 80 0.350 -4.217 8.135 534 HD2 PHE 80 HD2 PHE 80 -2.853 -1.878 9.789 535 HE1 PHE 80 HE1 PHE 80 -0.366 -3.575 5.850 536 HE2 PHE 80 HE2 PHE 80 -3.564 -1.238 7.501 537 HZ PHE 80 HZ PHE 80 -2.320 -2.086 5.533 538 HB2 PHE 80 HB2 PHE 80 -0.808 -4.552 10.612 539 HB3 PHE 80 HB1 PHE 80 -1.403 -3.013 11.233 540 H GLN 81 HN GLN 81 0.813 -0.847 12.028 541 HA GLN 81 HA GLN 81 1.416 -2.194 14.655 542 HB2 GLN 81 HB2 GLN 81 2.160 0.547 13.598 543 HB3 GLN 81 HB1 GLN 81 2.401 0.037 15.271 544 HG2 GLN 81 HG2 GLN 81 3.823 -1.815 14.525 545 HG3 GLN 81 HG1 GLN 81 3.548 -1.365 12.842 546 HE21 GLN 81 HE21 GLN 81 3.648 1.523 14.496 547 HE22 GLN 81 HE22 GLN 81 5.299 1.881 14.328 548 H GLU 82 HN GLU 82 -0.852 -0.427 12.846 549 HA GLU 82 HA GLU 82 -2.307 0.286 15.347 550 HB2 GLU 82 HB2 GLU 82 -2.270 1.836 12.757 551 HB3 GLU 82 HB1 GLU 82 -3.268 2.221 14.160 552 HG2 GLU 82 HG2 GLU 82 -0.251 2.013 14.274 553 HG3 GLU 82 HG1 GLU 82 -1.113 3.533 14.033 554 HA PRO 83 HA PRO 83 -5.694 -2.164 13.804 555 HB2 PRO 83 HB2 PRO 83 -7.558 0.041 14.590 556 HB3 PRO 83 HB1 PRO 83 -7.537 -1.656 15.109 557 HG2 PRO 83 HG2 PRO 83 -6.739 0.306 16.731 558 HG3 PRO 83 HG1 PRO 83 -5.942 -1.279 16.727 559 HD2 PRO 83 HD2 PRO 83 -4.994 1.310 15.535 560 HD3 PRO 83 HD1 PRO 83 -4.085 0.021 16.352 561 H ARG 84 HN ARG 84 -7.153 -2.319 12.022 562 HA ARG 84 HA ARG 84 -6.586 -0.598 9.797 563 HE ARG 84 HE ARG 84 -4.152 -4.069 8.631 564 HB2 ARG 84 HB2 ARG 84 -8.864 -2.564 10.190 565 HB3 ARG 84 HB1 ARG 84 -8.343 -1.897 8.644 566 HG2 ARG 84 HG2 ARG 84 -6.397 -3.370 10.425 567 HG3 ARG 84 HG1 ARG 84 -7.461 -4.251 9.331 568 HD2 ARG 84 HD2 ARG 84 -6.575 -2.913 7.426 569 HD3 ARG 84 HD1 ARG 84 -5.471 -2.105 8.532 570 HH11 ARG 84 HH21 ARG 84 -7.177 -4.559 7.041 571 HH12 ARG 84 HH22 ARG 84 -6.744 -6.116 6.421 572 HH21 ARG 84 HH11 ARG 84 -3.574 -6.086 7.822 573 HH22 ARG 84 HH12 ARG 84 -4.705 -6.982 6.861 574 H LYS 85 HN LYS 85 -7.697 1.127 8.974 575 HA LYS 85 HA LYS 85 -10.322 1.875 10.139 576 HB2 LYS 85 HB2 LYS 85 -7.827 3.584 10.239 577 HB3 LYS 85 HB1 LYS 85 -9.450 4.240 10.436 578 HG2 LYS 85 HG2 LYS 85 -9.833 2.686 12.330 579 HG3 LYS 85 HG1 LYS 85 -8.177 2.098 12.157 580 HD2 LYS 85 HD2 LYS 85 -7.307 4.348 12.589 581 HD3 LYS 85 HD1 LYS 85 -8.954 4.976 12.705 582 HE2 LYS 85 HE2 LYS 85 -8.055 4.568 14.950 583 HE3 LYS 85 HE1 LYS 85 -9.381 3.454 14.617 584 HZ1 LYS 85 HZ1 LYS 85 -7.512 2.297 15.594 585 HZ2 LYS 85 HZ2 LYS 85 -6.486 2.843 14.353 586 HZ3 LYS 85 HZ3 LYS 85 -7.755 1.770 14.000 587 H GLY 86 HN GLY 86 -11.268 3.756 8.917 588 HA2 GLY 86 HA2 GLY 86 -10.875 3.324 6.048 589 HA3 GLY 86 HA1 GLY 86 -12.098 4.355 6.786 590 H TYR 87 HN TYR 87 -10.749 5.297 4.598 591 HA TYR 87 HA TYR 87 -8.375 6.796 5.106 592 HD1 TYR 87 HD1 TYR 87 -6.925 7.621 3.340 593 HD2 TYR 87 HD2 TYR 87 -10.670 9.562 2.532 594 HE1 TYR 87 HE1 TYR 87 -5.714 9.677 2.677 595 HE2 TYR 87 HE2 TYR 87 -9.457 11.623 1.868 596 HH TYR 87 HH TYR 87 -7.283 12.315 1.116 597 HB2 TYR 87 HB2 TYR 87 -9.193 6.360 2.841 598 HB3 TYR 87 HB1 TYR 87 -10.650 7.300 3.161 599 H ASP 88 HN ASP 88 -11.821 7.725 5.312 600 HA ASP 88 HA ASP 88 -11.254 10.429 6.180 601 HB2 ASP 88 HB2 ASP 88 -13.707 8.670 6.140 602 HB3 ASP 88 HB1 ASP 88 -13.746 10.216 6.985 603 H GLU 89 HN GLU 89 -11.625 7.341 7.792 604 HA GLU 89 HA GLU 89 -12.046 8.318 10.457 605 HB2 GLU 89 HB2 GLU 89 -10.824 5.772 9.380 606 HB3 GLU 89 HB1 GLU 89 -11.087 6.051 11.102 607 HG2 GLU 89 HG2 GLU 89 -13.488 6.358 10.696 608 HG3 GLU 89 HG1 GLU 89 -13.237 6.137 8.964 609 H ILE 90 HN ILE 90 -9.067 7.436 8.697 610 HA ILE 90 HA ILE 90 -7.313 8.047 10.896 611 HB ILE 90 HB ILE 90 -5.534 8.059 9.125 612 HG12 ILE 90 HG12 ILE 90 -7.799 7.408 7.248 613 HG13 ILE 90 HG11 ILE 90 -7.098 9.015 7.352 614 HG21 ILE 90 HG21 ILE 90 -7.529 5.785 8.936 615 HG22 ILE 90 HG22 ILE 90 -6.325 5.963 10.212 616 HG23 ILE 90 HG23 ILE 90 -5.812 5.695 8.546 617 HD11 ILE 90 HD11 ILE 90 -5.351 6.608 6.896 618 HD12 ILE 90 HD12 ILE 90 -5.018 8.301 6.540 619 HD13 ILE 90 HD13 ILE 90 -6.167 7.405 5.552 620 H LEU 91 HN LEU 91 -8.672 9.966 8.267 621 HA LEU 91 HA LEU 91 -6.966 12.250 8.579 622 HG LEU 91 HG LEU 91 -7.675 11.048 6.247 623 HB2 LEU 91 HB2 LEU 91 -9.737 11.833 7.473 624 HB3 LEU 91 HB1 LEU 91 -9.024 13.443 7.530 625 HD11 LEU 91 HD11 LEU 91 -8.349 12.399 4.101 626 HD12 LEU 91 HD12 LEU 91 -9.601 13.081 5.136 627 HD13 LEU 91 HD13 LEU 91 -9.531 11.339 4.866 628 HD21 LEU 91 HD21 LEU 91 -7.000 13.967 6.536 629 HD22 LEU 91 HD22 LEU 91 -6.562 13.172 5.027 630 HD23 LEU 91 HD23 LEU 91 -5.937 12.561 6.551 631 H GLU 92 HN GLU 92 -10.065 11.399 10.097 632 HA GLU 92 HA GLU 92 -10.070 13.902 11.654 633 HB2 GLU 92 HB2 GLU 92 -12.203 13.090 12.521 634 HB3 GLU 92 HB1 GLU 92 -12.171 12.894 10.770 635 HG2 GLU 92 HG2 GLU 92 -11.478 10.516 11.083 636 HG3 GLU 92 HG1 GLU 92 -11.646 10.724 12.825 637 H HIS 93 HN HIS 93 -8.761 10.780 11.956 638 HA HIS 93 HA HIS 93 -8.968 10.040 14.601 639 HD1 HIS 93 HD1 HIS 93 -7.832 7.901 15.699 640 HD2 HIS 93 HD2 HIS 93 -4.351 9.906 14.589 641 HE1 HIS 93 HE1 HIS 93 -6.104 7.371 17.474 642 HB2 HIS 93 HB2 HIS 93 -7.644 8.743 13.076 643 HB3 HIS 93 HB1 HIS 93 -6.497 10.064 12.854 644 H HIS 94 HN HIS 94 -9.226 11.833 15.997 645 HA HIS 94 HA HIS 94 -8.568 13.701 17.278 646 HD1 HIS 94 HD1 HIS 94 -7.674 9.818 17.612 647 HD2 HIS 94 HD2 HIS 94 -8.433 12.795 20.432 648 HE1 HIS 94 HE1 HIS 94 -9.163 8.772 19.376 649 HB2 HIS 94 HB2 HIS 94 -6.123 11.909 17.380 650 HB3 HIS 94 HB1 HIS 94 -6.416 13.260 18.476 651 H HIS 95 HN HIS 95 -7.785 13.671 14.293 652 HA HIS 95 HA HIS 95 -5.294 15.077 14.024 653 HD1 HIS 95 HD1 HIS 95 -3.985 15.055 11.646 654 HD2 HIS 95 HD2 HIS 95 -7.285 17.466 10.821 655 HE1 HIS 95 HE1 HIS 95 -3.152 16.927 10.157 656 HB2 HIS 95 HB2 HIS 95 -6.431 13.958 12.136 657 HB3 HIS 95 HB1 HIS 95 -7.747 15.129 12.241 658 H HIS 96 HN HIS 96 -8.658 16.153 14.388 659 HA HIS 96 HA HIS 96 -8.192 18.945 14.058 660 HD1 HIS 96 HD1 HIS 96 -10.155 20.574 13.480 661 HD2 HIS 96 HD2 HIS 96 -11.076 19.650 17.439 662 HE1 HIS 96 HE1 HIS 96 -11.040 22.703 14.524 663 HB2 HIS 96 HB2 HIS 96 -10.444 17.900 14.110 664 HB3 HIS 96 HB1 HIS 96 -10.234 17.569 15.830 665 H HIS 97 HN HIS 97 -8.168 16.904 16.981 666 HA HIS 97 HA HIS 97 -7.557 19.042 18.804 667 HD1 HIS 97 HD1 HIS 97 -9.165 18.906 20.440 668 HD2 HIS 97 HD2 HIS 97 -9.588 14.925 19.277 669 HE1 HIS 97 HE1 HIS 97 -11.592 18.301 20.829 670 HB2 HIS 97 HB2 HIS 97 -7.091 16.049 18.965 671 HB3 HIS 97 HB1 HIS 97 -6.828 17.156 20.313 672 H HIS 98 HN HIS 98 -5.559 16.775 16.948 673 HA HIS 98 HA HIS 98 -3.233 16.676 16.629 674 HD1 HIS 98 HD1 HIS 98 -1.570 17.420 14.505 675 HD2 HIS 98 HD2 HIS 98 -0.994 20.452 17.308 676 HE1 HIS 98 HE1 HIS 98 0.893 18.008 14.430 677 HB2 HIS 98 HB2 HIS 98 -3.805 18.693 15.329 678 HB3 HIS 98 HB1 HIS 98 -3.621 19.685 16.774 Start of MODEL 17 1 HA ALA 12 HA ALA 12 -6.251 12.614 -12.454 2 H1 ALA 12 HN ALA 12 -8.293 14.734 -12.367 3 HB1 ALA 12 HB1 ALA 12 -5.141 14.059 -10.712 4 HB2 ALA 12 HB2 ALA 12 -6.522 15.152 -10.814 5 HB3 ALA 12 HB3 ALA 12 -5.488 14.911 -12.220 6 H PHE 13 HN PHE 13 -9.006 12.033 -11.532 7 HA PHE 13 HA PHE 13 -9.152 11.771 -8.692 8 HD1 PHE 13 HD2 PHE 13 -11.547 11.754 -7.751 9 HD2 PHE 13 HD1 PHE 13 -10.776 7.942 -9.578 10 HE1 PHE 13 HE2 PHE 13 -12.593 10.614 -5.813 11 HE2 PHE 13 HE1 PHE 13 -11.823 6.802 -7.639 12 HZ PHE 13 HZ PHE 13 -12.730 8.139 -5.758 13 HB2 PHE 13 HB2 PHE 13 -11.077 11.453 -10.275 14 HB3 PHE 13 HB1 PHE 13 -10.351 9.930 -10.787 15 H PHE 14 HN PHE 14 -7.944 9.587 -11.210 16 HA PHE 14 HA PHE 14 -7.302 7.375 -9.543 17 HD1 PHE 14 HD2 PHE 14 -7.376 5.072 -11.049 18 HD2 PHE 14 HD1 PHE 14 -8.126 8.639 -13.322 19 HE1 PHE 14 HE2 PHE 14 -9.365 4.002 -12.070 20 HE2 PHE 14 HE1 PHE 14 -10.117 7.567 -14.343 21 HZ PHE 14 HZ PHE 14 -10.736 5.250 -13.718 22 HB2 PHE 14 HB2 PHE 14 -6.067 8.378 -12.122 23 HB3 PHE 14 HB1 PHE 14 -5.628 6.840 -11.378 24 H ASN 15 HN ASN 15 -5.378 10.221 -10.468 25 HA ASN 15 HA ASN 15 -2.965 9.445 -9.133 26 HB2 ASN 15 HB2 ASN 15 -3.074 11.312 -10.765 27 HB3 ASN 15 HB1 ASN 15 -4.069 12.229 -9.636 28 HD21 ASN 15 HD21 ASN 15 -2.751 13.830 -8.733 29 HD22 ASN 15 HD22 ASN 15 -1.176 13.574 -8.155 30 H GLU 16 HN GLU 16 -5.805 11.277 -8.083 31 HA GLU 16 HA GLU 16 -4.847 11.916 -5.449 32 HB2 GLU 16 HB2 GLU 16 -7.653 11.612 -6.564 33 HB3 GLU 16 HB1 GLU 16 -7.307 12.233 -4.951 34 HG2 GLU 16 HG2 GLU 16 -6.223 13.438 -7.516 35 HG3 GLU 16 HG1 GLU 16 -7.640 14.040 -6.656 36 H GLN 17 HN GLN 17 -6.660 9.183 -6.774 37 HA GLN 17 HA GLN 17 -7.300 7.906 -4.312 38 HB2 GLN 17 HB2 GLN 17 -8.284 7.259 -6.506 39 HB3 GLN 17 HB1 GLN 17 -6.714 6.628 -7.001 40 HG2 GLN 17 HG2 GLN 17 -8.156 4.804 -6.193 41 HG3 GLN 17 HG1 GLN 17 -6.774 5.011 -5.120 42 HE21 GLN 17 HE21 GLN 17 -7.739 4.366 -3.138 43 HE22 GLN 17 HE22 GLN 17 -9.067 5.162 -2.445 44 H LYS 18 HN LYS 18 -4.481 7.572 -6.439 45 HA LYS 18 HA LYS 18 -3.178 5.495 -4.963 46 HB2 LYS 18 HB2 LYS 18 -2.086 7.683 -6.755 47 HB3 LYS 18 HB1 LYS 18 -1.094 6.375 -6.109 48 HG2 LYS 18 HG2 LYS 18 -2.573 4.719 -7.192 49 HG3 LYS 18 HG1 LYS 18 -3.560 6.028 -7.843 50 HD2 LYS 18 HD2 LYS 18 -1.567 6.898 -9.052 51 HD3 LYS 18 HD1 LYS 18 -0.629 5.533 -8.448 52 HE2 LYS 18 HE2 LYS 18 -3.155 5.250 -10.100 53 HE3 LYS 18 HE1 LYS 18 -1.525 5.185 -10.770 54 HZ1 LYS 18 HZ1 LYS 18 -1.259 3.114 -10.054 55 HZ2 LYS 18 HZ2 LYS 18 -2.928 3.085 -9.736 56 HZ3 LYS 18 HZ3 LYS 18 -1.832 3.478 -8.500 57 H GLU 19 HN GLU 19 -3.060 9.015 -4.738 58 HA GLU 19 HA GLU 19 -0.989 9.211 -2.771 59 HB2 GLU 19 HB2 GLU 19 -3.344 11.000 -3.436 60 HB3 GLU 19 HB1 GLU 19 -2.079 11.459 -2.299 61 HG2 GLU 19 HG2 GLU 19 -1.589 10.689 -5.194 62 HG3 GLU 19 HG1 GLU 19 -1.698 12.349 -4.611 63 H LYS 20 HN LYS 20 -4.526 9.016 -2.487 64 HA LYS 20 HA LYS 20 -4.657 9.227 0.364 65 HB2 LYS 20 HB2 LYS 20 -6.489 7.948 -1.672 66 HB3 LYS 20 HB1 LYS 20 -6.895 8.042 0.041 67 HG2 LYS 20 HG2 LYS 20 -6.548 10.539 -0.103 68 HG3 LYS 20 HG1 LYS 20 -6.382 10.358 -1.850 69 HD2 LYS 20 HD2 LYS 20 -8.798 9.364 -0.315 70 HD3 LYS 20 HD1 LYS 20 -8.718 10.973 -1.028 71 HE2 LYS 20 HE2 LYS 20 -8.159 9.805 -3.241 72 HE3 LYS 20 HE1 LYS 20 -8.642 8.306 -2.447 73 HZ1 LYS 20 HZ1 LYS 20 -10.472 10.545 -2.189 74 HZ2 LYS 20 HZ2 LYS 20 -10.794 8.894 -2.427 75 HZ3 LYS 20 HZ3 LYS 20 -10.336 9.871 -3.740 76 H VAL 21 HN VAL 21 -4.434 6.405 -1.784 77 HA VAL 21 HA VAL 21 -4.637 4.411 0.265 78 HB VAL 21 HB VAL 21 -3.302 4.354 -2.457 79 HG11 VAL 21 HG11 VAL 21 -3.806 2.177 -0.422 80 HG12 VAL 21 HG12 VAL 21 -2.292 2.582 -1.230 81 HG13 VAL 21 HG13 VAL 21 -3.601 1.823 -2.137 82 HG21 VAL 21 HG21 VAL 21 -5.328 3.397 -3.243 83 HG22 VAL 21 HG22 VAL 21 -5.851 4.715 -2.195 84 HG23 VAL 21 HG23 VAL 21 -5.896 3.053 -1.609 85 H THR 22 HN THR 22 -1.834 5.994 -1.233 86 HA THR 22 HA THR 22 0.181 4.544 0.180 87 HB THR 22 HB THR 22 0.368 7.420 -0.752 88 HG1 THR 22 HG1 THR 22 0.168 6.679 -2.687 89 HG21 THR 22 HG21 THR 22 2.284 6.696 0.540 90 HG22 THR 22 HG22 THR 22 2.749 6.728 -1.162 91 HG23 THR 22 HG23 THR 22 2.386 5.192 -0.375 92 H LEU 23 HN LEU 23 -1.522 7.566 0.939 93 HA LEU 23 HA LEU 23 -0.053 8.234 3.277 94 HG LEU 23 HG LEU 23 -2.577 9.043 5.018 95 HB2 LEU 23 HB2 LEU 23 -1.637 9.807 2.227 96 HB3 LEU 23 HB1 LEU 23 -2.979 8.734 2.619 97 HD11 LEU 23 HD11 LEU 23 -0.275 9.328 5.303 98 HD12 LEU 23 HD12 LEU 23 -0.856 10.972 5.546 99 HD13 LEU 23 HD13 LEU 23 -0.150 10.506 3.998 100 HD21 LEU 23 HD21 LEU 23 -2.708 11.604 3.405 101 HD22 LEU 23 HD22 LEU 23 -3.013 11.527 5.139 102 HD23 LEU 23 HD23 LEU 23 -4.062 10.657 4.022 103 H TYR 24 HN TYR 24 -2.975 6.280 2.844 104 HA TYR 24 HA TYR 24 -3.450 5.713 5.597 105 HD1 TYR 24 HD2 TYR 24 -5.876 4.860 6.305 106 HD2 TYR 24 HD1 TYR 24 -4.064 1.848 3.838 107 HE1 TYR 24 HE2 TYR 24 -6.742 3.098 7.820 108 HE2 TYR 24 HE1 TYR 24 -4.929 0.086 5.352 109 HH TYR 24 HH TYR 24 -7.184 0.154 7.147 110 HB2 TYR 24 HB2 TYR 24 -5.146 5.288 3.894 111 HB3 TYR 24 HB1 TYR 24 -4.100 4.104 3.112 112 H LEU 25 HN LEU 25 -1.630 3.906 3.138 113 HA LEU 25 HA LEU 25 -0.889 1.719 4.833 114 HG LEU 25 HG LEU 25 -1.884 1.901 2.168 115 HB2 LEU 25 HB2 LEU 25 0.438 2.880 2.369 116 HB3 LEU 25 HB1 LEU 25 0.941 1.370 3.128 117 HD11 LEU 25 HD11 LEU 25 -0.469 1.947 0.215 118 HD12 LEU 25 HD12 LEU 25 -1.239 0.362 0.269 119 HD13 LEU 25 HD13 LEU 25 0.440 0.543 0.777 120 HD21 LEU 25 HD21 LEU 25 -2.037 0.119 3.684 121 HD22 LEU 25 HD22 LEU 25 -0.419 -0.476 3.313 122 HD23 LEU 25 HD23 LEU 25 -1.742 -0.744 2.178 123 H LYS 26 HN LYS 26 0.673 4.808 4.144 124 HA LYS 26 HA LYS 26 3.138 4.321 5.473 125 HB2 LYS 26 HB2 LYS 26 2.643 6.291 4.007 126 HB3 LYS 26 HB1 LYS 26 1.631 6.944 5.294 127 HG2 LYS 26 HG2 LYS 26 3.533 7.060 6.803 128 HG3 LYS 26 HG1 LYS 26 4.568 6.266 5.614 129 HD2 LYS 26 HD2 LYS 26 4.217 8.158 4.057 130 HD3 LYS 26 HD1 LYS 26 3.213 8.960 5.266 131 HE2 LYS 26 HE2 LYS 26 6.096 8.151 5.735 132 HE3 LYS 26 HE1 LYS 26 5.597 9.765 5.232 133 HZ1 LYS 26 HZ1 LYS 26 5.565 8.623 7.818 134 HZ2 LYS 26 HZ2 LYS 26 3.991 9.084 7.376 135 HZ3 LYS 26 HZ3 LYS 26 5.250 10.224 7.356 136 H HIS 27 HN HIS 27 0.058 5.573 6.687 137 HA HIS 27 HA HIS 27 0.946 6.107 9.367 138 HD1 HIS 27 HD1 HIS 27 0.534 8.164 9.678 139 HD2 HIS 27 HD2 HIS 27 -2.690 7.894 7.051 140 HE1 HIS 27 HE1 HIS 27 0.172 10.492 8.747 141 HB2 HIS 27 HB2 HIS 27 -1.783 5.534 8.185 142 HB3 HIS 27 HB1 HIS 27 -1.543 5.970 9.876 143 H ASN 28 HN ASN 28 -0.485 3.256 7.824 144 HA ASN 28 HA ASN 28 -0.470 1.743 10.362 145 HB2 ASN 28 HB2 ASN 28 -1.237 1.008 7.522 146 HB3 ASN 28 HB1 ASN 28 -1.323 -0.118 8.877 147 HD21 ASN 28 HD21 ASN 28 -3.106 2.236 7.179 148 HD22 ASN 28 HD22 ASN 28 -4.319 2.496 8.336 149 H ILE 29 HN ILE 29 1.789 2.571 8.096 150 HA ILE 29 HA ILE 29 3.529 0.283 8.869 151 HB ILE 29 HB ILE 29 3.303 1.264 6.014 152 HG12 ILE 29 HG12 ILE 29 2.160 -1.217 7.336 153 HG13 ILE 29 HG11 ILE 29 1.237 0.107 6.624 154 HG21 ILE 29 HG21 ILE 29 4.606 -1.226 7.145 155 HG22 ILE 29 HG22 ILE 29 5.488 0.273 6.857 156 HG23 ILE 29 HG23 ILE 29 4.755 -0.590 5.507 157 HD11 ILE 29 HD11 ILE 29 2.638 -0.459 4.461 158 HD12 ILE 29 HD12 ILE 29 1.236 -1.442 4.880 159 HD13 ILE 29 HD13 ILE 29 2.857 -2.021 5.256 160 HA PRO 30 HA PRO 30 5.515 4.468 9.482 161 HB2 PRO 30 HB2 PRO 30 7.058 2.699 11.354 162 HB3 PRO 30 HB1 PRO 30 6.387 4.320 11.636 163 HG2 PRO 30 HG2 PRO 30 5.234 2.154 12.670 164 HG3 PRO 30 HG1 PRO 30 4.264 3.506 12.058 165 HD2 PRO 30 HD2 PRO 30 4.763 0.829 10.804 166 HD3 PRO 30 HD1 PRO 30 3.303 1.841 10.755 167 H ASP 31 HN ASP 31 6.826 1.242 8.992 168 HA ASP 31 HA ASP 31 9.437 2.216 8.069 169 HB2 ASP 31 HB2 ASP 31 8.172 -0.543 8.089 170 HB3 ASP 31 HB1 ASP 31 9.836 -0.216 7.602 171 H PHE 32 HN PHE 32 6.674 2.705 6.703 172 HA PHE 32 HA PHE 32 6.631 1.394 4.187 173 HD1 PHE 32 HD1 PHE 32 4.709 1.456 2.588 174 HD2 PHE 32 HD2 PHE 32 5.718 5.597 3.124 175 HE1 PHE 32 HE1 PHE 32 4.220 1.886 0.196 176 HE2 PHE 32 HE2 PHE 32 5.227 6.027 0.733 177 HZ PHE 32 HZ PHE 32 4.480 4.172 -0.730 178 HB2 PHE 32 HB2 PHE 32 4.729 2.695 4.911 179 HB3 PHE 32 HB1 PHE 32 5.696 4.165 4.984 180 H ASN 33 HN ASN 33 7.900 1.573 2.444 181 HA ASN 33 HA ASN 33 9.927 3.778 2.346 182 HB2 ASN 33 HB2 ASN 33 9.906 1.007 1.118 183 HB3 ASN 33 HB1 ASN 33 11.147 2.221 0.803 184 HD21 ASN 33 HD21 ASN 33 10.390 -0.376 2.831 185 HD22 ASN 33 HD22 ASN 33 11.450 -0.015 4.105 186 H THR 34 HN THR 34 8.077 1.696 0.078 187 HA THR 34 HA THR 34 7.249 4.097 -1.424 188 HB THR 34 HB THR 34 9.418 3.695 -2.426 189 HG1 THR 34 HG1 THR 34 8.045 2.483 -4.406 190 HG21 THR 34 HG21 THR 34 10.002 1.536 -3.419 191 HG22 THR 34 HG22 THR 34 8.456 0.860 -2.906 192 HG23 THR 34 HG23 THR 34 9.656 1.330 -1.702 193 H VAL 35 HN VAL 35 5.781 3.523 -3.227 194 HA VAL 35 HA VAL 35 4.393 0.897 -2.815 195 HB VAL 35 HB VAL 35 3.059 2.591 -1.712 196 HG11 VAL 35 HG11 VAL 35 4.111 4.521 -3.006 197 HG12 VAL 35 HG12 VAL 35 2.371 4.638 -2.749 198 HG13 VAL 35 HG13 VAL 35 2.997 4.134 -4.318 199 HG21 VAL 35 HG21 VAL 35 1.979 0.866 -3.273 200 HG22 VAL 35 HG22 VAL 35 1.797 2.186 -4.429 201 HG23 VAL 35 HG23 VAL 35 1.000 2.274 -2.858 202 H THR 36 HN THR 36 3.883 -0.150 -4.666 203 HA THR 36 HA THR 36 4.160 1.318 -7.269 204 HB THR 36 HB THR 36 5.156 -1.469 -6.619 205 HG1 THR 36 HG1 THR 36 6.442 0.992 -7.180 206 HG21 THR 36 HG21 THR 36 4.960 0.129 -9.171 207 HG22 THR 36 HG22 THR 36 4.440 -1.529 -8.871 208 HG23 THR 36 HG23 THR 36 6.158 -1.150 -8.979 209 H PHE 37 HN PHE 37 2.402 1.156 -8.470 210 HA PHE 37 HA PHE 37 0.361 -0.922 -7.835 211 HD1 PHE 37 HD2 PHE 37 -1.818 0.183 -6.716 212 HD2 PHE 37 HD1 PHE 37 0.882 3.256 -8.019 213 HE1 PHE 37 HE2 PHE 37 -2.172 1.397 -4.583 214 HE2 PHE 37 HE1 PHE 37 0.533 4.469 -5.882 215 HZ PHE 37 HZ PHE 37 -0.995 3.538 -4.162 216 HB2 PHE 37 HB2 PHE 37 0.160 1.575 -9.547 217 HB3 PHE 37 HB1 PHE 37 -1.171 0.489 -9.141 218 H THR 38 HN THR 38 -0.435 -2.282 -9.448 219 HA THR 38 HA THR 38 0.905 -2.206 -12.120 220 HB THR 38 HB THR 38 1.265 -4.703 -11.910 221 HG1 THR 38 HG1 THR 38 1.382 -4.642 -9.212 222 HG21 THR 38 HG21 THR 38 2.739 -3.023 -9.868 223 HG22 THR 38 HG22 THR 38 3.079 -3.013 -11.598 224 HG23 THR 38 HG23 THR 38 3.334 -4.483 -10.658 225 H ASN 39 HN ASN 39 -1.057 -4.671 -10.495 226 HA ASN 39 HA ASN 39 -2.858 -4.820 -12.782 227 HB2 ASN 39 HB2 ASN 39 -2.100 -6.723 -11.176 228 HB3 ASN 39 HB1 ASN 39 -3.369 -6.127 -10.112 229 HD21 ASN 39 HD21 ASN 39 -4.784 -7.967 -10.409 230 HD22 ASN 39 HD22 ASN 39 -5.535 -8.298 -11.893 231 H GLU 40 HN GLU 40 -4.713 -3.745 -13.052 232 HA GLU 40 HA GLU 40 -6.159 -2.649 -10.689 233 HB2 GLU 40 HB2 GLU 40 -5.303 -1.065 -13.129 234 HB3 GLU 40 HB1 GLU 40 -6.495 -0.501 -11.958 235 HG2 GLU 40 HG2 GLU 40 -4.835 -0.660 -10.159 236 HG3 GLU 40 HG1 GLU 40 -3.640 -1.281 -11.292 237 H GLU 41 HN GLU 41 -7.316 -4.686 -11.450 238 HA GLU 41 HA GLU 41 -8.865 -4.466 -13.925 239 HB2 GLU 41 HB2 GLU 41 -9.895 -6.590 -13.187 240 HB3 GLU 41 HB1 GLU 41 -8.135 -6.671 -13.136 241 HG2 GLU 41 HG2 GLU 41 -8.177 -6.204 -10.711 242 HG3 GLU 41 HG1 GLU 41 -9.938 -6.113 -10.755 243 H PHE 42 HN PHE 42 -11.239 -4.616 -13.891 244 HA PHE 42 HA PHE 42 -12.378 -2.770 -11.852 245 HD1 PHE 42 HD1 PHE 42 -11.146 -3.244 -15.464 246 HD2 PHE 42 HD2 PHE 42 -13.428 -0.230 -13.427 247 HE1 PHE 42 HE1 PHE 42 -9.680 -1.486 -16.421 248 HE2 PHE 42 HE2 PHE 42 -11.962 1.528 -14.381 249 HZ PHE 42 HZ PHE 42 -10.087 0.899 -15.877 250 HB2 PHE 42 HB2 PHE 42 -13.462 -3.681 -14.532 251 HB3 PHE 42 HB1 PHE 42 -14.207 -2.476 -13.481 252 H ASN 43 HN ASN 43 -13.495 -3.626 -10.241 253 HA ASN 43 HA ASN 43 -14.555 -6.363 -10.499 254 HB2 ASN 43 HB2 ASN 43 -15.020 -6.046 -8.008 255 HB3 ASN 43 HB1 ASN 43 -13.324 -6.043 -8.490 256 HD21 ASN 43 HD21 ASN 43 -12.594 -3.625 -9.158 257 HD22 ASN 43 HD22 ASN 43 -13.054 -2.433 -8.043 258 HA PRO 44 HA PRO 44 -18.823 -5.289 -11.163 259 HB2 PRO 44 HB2 PRO 44 -19.350 -6.849 -8.644 260 HB3 PRO 44 HB1 PRO 44 -20.143 -6.974 -10.227 261 HG2 PRO 44 HG2 PRO 44 -18.334 -8.765 -9.434 262 HG3 PRO 44 HG1 PRO 44 -18.442 -8.244 -11.125 263 HD2 PRO 44 HD2 PRO 44 -16.373 -7.584 -9.089 264 HD3 PRO 44 HD1 PRO 44 -16.254 -7.648 -10.860 265 H ILE 45 HN ILE 45 -17.687 -5.097 -7.796 266 HA ILE 45 HA ILE 45 -19.731 -3.252 -6.931 267 HB ILE 45 HB ILE 45 -16.980 -3.728 -5.747 268 HG12 ILE 45 HG12 ILE 45 -19.621 -5.030 -5.013 269 HG13 ILE 45 HG11 ILE 45 -18.416 -5.794 -6.050 270 HG21 ILE 45 HG21 ILE 45 -18.185 -3.009 -3.644 271 HG22 ILE 45 HG22 ILE 45 -19.545 -2.535 -4.663 272 HG23 ILE 45 HG23 ILE 45 -17.986 -1.730 -4.843 273 HD11 ILE 45 HD11 ILE 45 -18.183 -6.530 -3.696 274 HD12 ILE 45 HD12 ILE 45 -17.930 -4.855 -3.206 275 HD13 ILE 45 HD13 ILE 45 -16.751 -5.657 -4.243 276 H GLY 46 HN GLY 46 -16.400 -2.840 -8.109 277 HA2 GLY 46 HA2 GLY 46 -16.920 -0.271 -9.244 278 HA3 GLY 46 HA1 GLY 46 -16.196 -0.038 -7.654 279 H ILE 47 HN ILE 47 -14.145 0.583 -8.106 280 HA ILE 47 HA ILE 47 -12.563 -0.940 -10.132 281 HB ILE 47 HB ILE 47 -10.945 0.994 -9.855 282 HG12 ILE 47 HG12 ILE 47 -13.295 2.303 -8.455 283 HG13 ILE 47 HG11 ILE 47 -11.893 1.672 -7.592 284 HG21 ILE 47 HG21 ILE 47 -12.535 2.607 -11.066 285 HG22 ILE 47 HG22 ILE 47 -13.779 1.380 -10.827 286 HG23 ILE 47 HG23 ILE 47 -12.339 1.005 -11.773 287 HD11 ILE 47 HD11 ILE 47 -10.411 3.178 -8.815 288 HD12 ILE 47 HD12 ILE 47 -11.706 4.118 -8.071 289 HD13 ILE 47 HD13 ILE 47 -11.760 3.752 -9.795 290 H SER 48 HN SER 48 -10.773 -2.058 -9.556 291 HA SER 48 HA SER 48 -10.092 -2.177 -6.635 292 HG SER 48 HG SER 48 -11.812 -4.906 -7.817 293 HB2 SER 48 HB2 SER 48 -10.051 -4.319 -8.769 294 HB3 SER 48 HB1 SER 48 -9.299 -4.514 -7.189 295 H ILE 49 HN ILE 49 -8.125 -1.498 -6.147 296 HA ILE 49 HA ILE 49 -6.043 -1.364 -8.298 297 HB ILE 49 HB ILE 49 -6.396 0.303 -5.792 298 HG12 ILE 49 HG12 ILE 49 -6.447 1.102 -8.718 299 HG13 ILE 49 HG11 ILE 49 -7.899 0.758 -7.780 300 HG21 ILE 49 HG21 ILE 49 -4.183 0.118 -7.841 301 HG22 ILE 49 HG22 ILE 49 -4.058 0.086 -6.083 302 HG23 ILE 49 HG23 ILE 49 -4.451 1.593 -6.909 303 HD11 ILE 49 HD11 ILE 49 -7.356 3.196 -7.866 304 HD12 ILE 49 HD12 ILE 49 -5.838 2.854 -7.038 305 HD13 ILE 49 HD13 ILE 49 -7.373 2.557 -6.222 306 H ASP 50 HN ASP 50 -4.378 -2.698 -8.054 307 HA ASP 50 HA ASP 50 -3.750 -3.793 -5.331 308 HB2 ASP 50 HB2 ASP 50 -4.846 -5.428 -6.904 309 HB3 ASP 50 HB1 ASP 50 -3.456 -5.239 -7.970 310 H GLY 51 HN GLY 51 -1.547 -4.255 -4.935 311 HA2 GLY 51 HA2 GLY 51 0.595 -3.869 -6.757 312 HA3 GLY 51 HA1 GLY 51 0.310 -2.336 -5.932 313 H TYR 52 HN TYR 52 2.560 -2.847 -5.159 314 HA TYR 52 HA TYR 52 2.402 -4.257 -2.547 315 HD1 TYR 52 HD1 TYR 52 6.308 -3.721 -4.192 316 HD2 TYR 52 HD2 TYR 52 3.077 -5.623 -6.291 317 HE1 TYR 52 HE1 TYR 52 7.390 -3.180 -6.362 318 HE2 TYR 52 HE2 TYR 52 4.162 -5.080 -8.453 319 HH TYR 52 HH TYR 52 6.006 -4.293 -9.438 320 HB2 TYR 52 HB2 TYR 52 4.718 -5.203 -3.036 321 HB3 TYR 52 HB1 TYR 52 3.382 -5.960 -3.901 322 H ILE 53 HN ILE 53 4.234 -3.736 -1.149 323 HA ILE 53 HA ILE 53 5.349 -1.006 -1.722 324 HB ILE 53 HB ILE 53 5.246 -0.605 0.720 325 HG12 ILE 53 HG12 ILE 53 3.675 -3.204 0.822 326 HG13 ILE 53 HG11 ILE 53 5.343 -3.043 1.369 327 HG21 ILE 53 HG21 ILE 53 3.355 -0.022 -0.878 328 HG22 ILE 53 HG22 ILE 53 2.896 -0.172 0.818 329 HG23 ILE 53 HG23 ILE 53 2.539 -1.479 -0.311 330 HD11 ILE 53 HD11 ILE 53 4.504 -1.139 2.870 331 HD12 ILE 53 HD12 ILE 53 4.024 -2.772 3.326 332 HD13 ILE 53 HD13 ILE 53 2.878 -1.716 2.502 333 H ASN 54 HN ASN 54 7.371 -0.547 -0.622 334 HA ASN 54 HA ASN 54 9.606 -1.033 -0.169 335 HB2 ASN 54 HB2 ASN 54 8.569 -3.651 0.950 336 HB3 ASN 54 HB1 ASN 54 10.054 -2.808 1.387 337 HD21 ASN 54 HD21 ASN 54 9.534 -2.382 3.599 338 HD22 ASN 54 HD22 ASN 54 8.240 -1.391 4.069 339 H ASN 55 HN ASN 55 8.436 -1.821 -2.723 340 HA ASN 55 HA ASN 55 8.887 -3.172 -4.588 341 HB2 ASN 55 HB2 ASN 55 11.661 -3.198 -3.360 342 HB3 ASN 55 HB1 ASN 55 11.255 -3.417 -5.064 343 HD21 ASN 55 HD21 ASN 55 12.283 -1.088 -2.873 344 HD22 ASN 55 HD22 ASN 55 11.783 0.299 -3.713 345 H ASP 56 HN ASP 56 7.954 -4.565 -2.216 346 HA ASP 56 HA ASP 56 9.283 -7.235 -2.583 347 HB2 ASP 56 HB2 ASP 56 7.845 -6.030 -0.210 348 HB3 ASP 56 HB1 ASP 56 8.235 -7.745 -0.326 349 H LYS 57 HN LYS 57 8.077 -8.350 -3.995 350 HA LYS 57 HA LYS 57 5.342 -7.939 -4.635 351 HB2 LYS 57 HB2 LYS 57 6.950 -10.506 -4.828 352 HB3 LYS 57 HB1 LYS 57 5.477 -10.141 -5.725 353 HG2 LYS 57 HG2 LYS 57 8.060 -8.559 -5.915 354 HG3 LYS 57 HG1 LYS 57 7.529 -9.763 -7.088 355 HD2 LYS 57 HD2 LYS 57 5.359 -8.344 -7.257 356 HD3 LYS 57 HD1 LYS 57 6.295 -7.079 -6.463 357 HE2 LYS 57 HE2 LYS 57 7.986 -7.183 -8.228 358 HE3 LYS 57 HE1 LYS 57 7.084 -8.470 -9.031 359 HZ1 LYS 57 HZ1 LYS 57 6.146 -6.765 -10.119 360 HZ2 LYS 57 HZ2 LYS 57 6.559 -5.623 -8.931 361 HZ3 LYS 57 HZ3 LYS 57 5.191 -6.611 -8.725 362 H ASN 58 HN ASN 58 6.844 -9.921 -2.151 363 HA ASN 58 HA ASN 58 4.569 -11.489 -1.436 364 HB2 ASN 58 HB2 ASN 58 6.955 -10.486 0.129 365 HB3 ASN 58 HB1 ASN 58 5.710 -11.481 0.883 366 HD21 ASN 58 HD21 ASN 58 5.144 -13.206 -1.353 367 HD22 ASN 58 HD22 ASN 58 6.514 -14.166 -1.631 368 H LEU 59 HN LEU 59 5.616 -8.250 -0.463 369 HA LEU 59 HA LEU 59 3.356 -7.924 1.384 370 HG LEU 59 HG LEU 59 6.490 -7.706 1.447 371 HB2 LEU 59 HB2 LEU 59 5.305 -5.841 0.345 372 HB3 LEU 59 HB1 LEU 59 4.248 -5.680 1.747 373 HD11 LEU 59 HD11 LEU 59 6.315 -5.425 3.422 374 HD12 LEU 59 HD12 LEU 59 7.069 -5.224 1.839 375 HD13 LEU 59 HD13 LEU 59 7.726 -6.390 2.988 376 HD21 LEU 59 HD21 LEU 59 5.937 -7.914 4.004 377 HD22 LEU 59 HD22 LEU 59 4.920 -8.758 2.842 378 HD23 LEU 59 HD23 LEU 59 4.374 -7.237 3.548 379 H SER 60 HN SER 60 1.897 -8.528 -0.508 380 HA SER 60 HA SER 60 1.351 -6.309 -2.382 381 HG SER 60 HG SER 60 0.310 -9.914 -1.733 382 HB2 SER 60 HB2 SER 60 -0.176 -7.831 -3.468 383 HB3 SER 60 HB1 SER 60 1.322 -8.701 -3.146 384 H PHE 61 HN PHE 61 -0.871 -5.513 -2.597 385 HA PHE 61 HA PHE 61 -2.681 -5.872 -0.308 386 HD1 PHE 61 HD2 PHE 61 -3.439 -2.022 -1.431 387 HD2 PHE 61 HD1 PHE 61 0.639 -3.345 -1.156 388 HE1 PHE 61 HE2 PHE 61 -2.750 -0.224 -2.992 389 HE2 PHE 61 HE1 PHE 61 1.328 -1.544 -2.717 390 HZ PHE 61 HZ PHE 61 -0.367 0.016 -3.636 391 HB2 PHE 61 HB2 PHE 61 -2.705 -3.547 0.357 392 HB3 PHE 61 HB1 PHE 61 -1.043 -4.123 0.426 393 H THR 62 HN THR 62 -4.741 -4.753 -0.666 394 HA THR 62 HA THR 62 -5.212 -3.819 -3.453 395 HB THR 62 HB THR 62 -6.826 -5.987 -2.082 396 HG1 THR 62 HG1 THR 62 -4.909 -6.754 -2.964 397 HG21 THR 62 HG21 THR 62 -7.162 -4.499 -4.694 398 HG22 THR 62 HG22 THR 62 -8.313 -4.608 -3.364 399 HG23 THR 62 HG23 THR 62 -7.970 -6.029 -4.350 400 H ALA 63 HN ALA 63 -6.861 -2.338 -3.634 401 HA ALA 63 HA ALA 63 -8.535 -1.706 -1.267 402 HB1 ALA 63 HB1 ALA 63 -7.932 0.750 -1.586 403 HB2 ALA 63 HB2 ALA 63 -6.570 0.193 -2.557 404 HB3 ALA 63 HB3 ALA 63 -6.678 -0.256 -0.855 405 H GLY 64 HN GLY 64 -10.503 -0.867 -1.853 406 HA2 GLY 64 HA2 GLY 64 -11.052 -0.646 -4.782 407 HA3 GLY 64 HA1 GLY 64 -12.249 -1.037 -3.550 408 H LYS 65 HN LYS 65 -12.180 1.096 -5.593 409 HA LYS 65 HA LYS 65 -12.406 3.440 -5.792 410 HB2 LYS 65 HB2 LYS 65 -14.202 2.673 -3.478 411 HB3 LYS 65 HB1 LYS 65 -14.278 4.233 -4.295 412 HG2 LYS 65 HG2 LYS 65 -14.430 1.715 -5.935 413 HG3 LYS 65 HG1 LYS 65 -15.862 2.273 -5.072 414 HD2 LYS 65 HD2 LYS 65 -15.663 4.482 -6.172 415 HD3 LYS 65 HD1 LYS 65 -14.252 3.913 -7.060 416 HE2 LYS 65 HE2 LYS 65 -15.601 2.180 -8.141 417 HE3 LYS 65 HE1 LYS 65 -17.014 2.679 -7.213 418 HZ1 LYS 65 HZ1 LYS 65 -15.713 4.825 -8.627 419 HZ2 LYS 65 HZ2 LYS 65 -17.361 4.426 -8.534 420 HZ3 LYS 65 HZ3 LYS 65 -16.351 3.629 -9.644 421 H ASP 66 HN ASP 66 -13.325 4.520 -2.863 422 HA ASP 66 HA ASP 66 -10.729 5.821 -2.400 423 HB2 ASP 66 HB2 ASP 66 -13.498 6.203 -1.253 424 HB3 ASP 66 HB1 ASP 66 -12.091 7.066 -0.631 425 H VAL 67 HN VAL 67 -9.541 4.023 -1.620 426 HA VAL 67 HA VAL 67 -8.784 2.470 -0.043 427 HB VAL 67 HB VAL 67 -9.820 4.346 2.082 428 HG11 VAL 67 HG11 VAL 67 -7.572 3.893 3.030 429 HG12 VAL 67 HG12 VAL 67 -7.194 2.895 1.626 430 HG13 VAL 67 HG13 VAL 67 -8.466 2.399 2.740 431 HG21 VAL 67 HG21 VAL 67 -7.705 5.725 1.540 432 HG22 VAL 67 HG22 VAL 67 -9.088 5.935 0.465 433 HG23 VAL 67 HG23 VAL 67 -7.732 4.922 -0.031 434 H LYS 68 HN LYS 68 -11.809 2.601 -0.733 435 HA LYS 68 HA LYS 68 -13.087 1.478 1.615 436 HB2 LYS 68 HB2 LYS 68 -14.119 2.798 -0.443 437 HB3 LYS 68 HB1 LYS 68 -14.222 1.189 -1.155 438 HG2 LYS 68 HG2 LYS 68 -16.276 1.264 -0.051 439 HG3 LYS 68 HG1 LYS 68 -15.275 0.571 1.224 440 HD2 LYS 68 HD2 LYS 68 -14.925 2.802 2.188 441 HD3 LYS 68 HD1 LYS 68 -15.899 3.519 0.904 442 HE2 LYS 68 HE2 LYS 68 -17.841 2.185 1.635 443 HE3 LYS 68 HE1 LYS 68 -16.867 1.476 2.922 444 HZ1 LYS 68 HZ1 LYS 68 -16.684 4.307 2.949 445 HZ2 LYS 68 HZ2 LYS 68 -17.187 3.252 4.182 446 HZ3 LYS 68 HZ3 LYS 68 -18.305 3.819 3.036 447 H ILE 69 HN ILE 69 -13.375 -0.602 2.091 448 HA ILE 69 HA ILE 69 -12.892 -2.888 2.139 449 HB ILE 69 HB ILE 69 -13.419 -2.848 -0.838 450 HG12 ILE 69 HG12 ILE 69 -15.135 -1.429 0.095 451 HG13 ILE 69 HG11 ILE 69 -15.859 -3.011 -0.179 452 HG21 ILE 69 HG21 ILE 69 -14.378 -5.028 -0.402 453 HG22 ILE 69 HG22 ILE 69 -14.251 -4.784 1.340 454 HG23 ILE 69 HG23 ILE 69 -12.792 -4.972 0.369 455 HD11 ILE 69 HD11 ILE 69 -16.561 -2.367 2.008 456 HD12 ILE 69 HD12 ILE 69 -14.943 -1.817 2.446 457 HD13 ILE 69 HD13 ILE 69 -15.270 -3.541 2.261 458 H PHE 70 HN PHE 70 -10.753 -3.097 2.565 459 HA PHE 70 HA PHE 70 -8.945 -3.454 0.218 460 HD1 PHE 70 HD2 PHE 70 -6.552 -3.214 3.581 461 HD2 PHE 70 HD1 PHE 70 -9.917 -0.581 3.122 462 HE1 PHE 70 HE2 PHE 70 -6.637 -2.892 6.040 463 HE2 PHE 70 HE1 PHE 70 -9.999 -0.260 5.580 464 HZ PHE 70 HZ PHE 70 -8.361 -1.414 7.040 465 HB2 PHE 70 HB2 PHE 70 -7.149 -2.287 1.391 466 HB3 PHE 70 HB1 PHE 70 -8.535 -1.214 1.204 467 H SER 71 HN SER 71 -7.199 -4.865 0.589 468 HA SER 71 HA SER 71 -7.306 -6.495 3.090 469 HG SER 71 HG SER 71 -6.005 -8.418 0.349 470 HB2 SER 71 HB2 SER 71 -7.434 -8.531 1.931 471 HB3 SER 71 HB1 SER 71 -8.562 -7.511 1.043 472 H SER 72 HN SER 72 -5.332 -7.655 3.487 473 HA SER 72 HA SER 72 -2.954 -6.687 1.946 474 HG SER 72 HG SER 72 -2.521 -4.731 3.014 475 HB2 SER 72 HB2 SER 72 -3.407 -6.619 4.928 476 HB3 SER 72 HB1 SER 72 -1.796 -6.554 4.221 477 H SER 73 HN SER 73 -1.149 -8.050 2.026 478 HA SER 73 HA SER 73 -1.718 -10.857 2.004 479 HG SER 73 HG SER 73 0.750 -8.248 1.708 480 HB2 SER 73 HB2 SER 73 0.807 -11.055 1.862 481 HB3 SER 73 HB1 SER 73 0.064 -10.031 0.636 482 H GLU 74 HN GLU 74 -0.418 -12.453 3.314 483 HA GLU 74 HA GLU 74 -1.066 -12.272 6.068 484 HB2 GLU 74 HB2 GLU 74 1.036 -13.956 4.665 485 HB3 GLU 74 HB1 GLU 74 0.499 -14.217 6.323 486 HG2 GLU 74 HG2 GLU 74 -1.324 -14.268 3.898 487 HG3 GLU 74 HG1 GLU 74 -0.663 -15.703 4.684 488 H GLU 75 HN GLU 75 2.118 -11.904 4.488 489 HA GLU 75 HA GLU 75 3.520 -11.159 6.879 490 HB2 GLU 75 HB2 GLU 75 4.086 -10.629 3.949 491 HB3 GLU 75 HB1 GLU 75 5.214 -10.215 5.241 492 HG2 GLU 75 HG2 GLU 75 5.315 -12.561 5.938 493 HG3 GLU 75 HG1 GLU 75 4.132 -12.995 4.704 494 H LEU 76 HN LEU 76 1.989 -9.241 4.317 495 HA LEU 76 HA LEU 76 2.734 -6.681 5.341 496 HG LEU 76 HG LEU 76 0.074 -5.222 4.696 497 HB2 LEU 76 HB2 LEU 76 1.873 -7.025 3.043 498 HB3 LEU 76 HB1 LEU 76 0.301 -7.468 3.703 499 HD11 LEU 76 HD11 LEU 76 2.222 -4.431 5.177 500 HD12 LEU 76 HD12 LEU 76 1.837 -3.507 3.728 501 HD13 LEU 76 HD13 LEU 76 2.872 -4.931 3.616 502 HD21 LEU 76 HD21 LEU 76 -0.279 -4.012 2.626 503 HD22 LEU 76 HD22 LEU 76 -0.673 -5.707 2.341 504 HD23 LEU 76 HD23 LEU 76 0.863 -5.050 1.771 505 H ASP 77 HN ASP 77 -0.039 -8.785 5.945 506 HA ASP 77 HA ASP 77 -1.588 -6.990 7.524 507 HB2 ASP 77 HB2 ASP 77 -2.443 -9.159 6.674 508 HB3 ASP 77 HB1 ASP 77 -1.344 -10.006 7.762 509 H LYS 78 HN LYS 78 1.072 -9.169 8.356 510 HA LYS 78 HA LYS 78 0.917 -8.795 11.209 511 HB2 LYS 78 HB2 LYS 78 3.205 -9.616 9.396 512 HB3 LYS 78 HB1 LYS 78 3.311 -9.617 11.156 513 HG2 LYS 78 HG2 LYS 78 1.417 -11.184 11.282 514 HG3 LYS 78 HG1 LYS 78 1.281 -11.175 9.525 515 HD2 LYS 78 HD2 LYS 78 3.567 -12.094 9.342 516 HD3 LYS 78 HD1 LYS 78 3.705 -12.102 11.100 517 HE2 LYS 78 HE2 LYS 78 1.805 -13.665 11.252 518 HE3 LYS 78 HE1 LYS 78 1.644 -13.648 9.496 519 HZ1 LYS 78 HZ1 LYS 78 3.303 -15.087 9.279 520 HZ2 LYS 78 HZ2 LYS 78 3.203 -15.347 10.954 521 HZ3 LYS 78 HZ3 LYS 78 4.314 -14.223 10.331 522 H MET 79 HN MET 79 2.589 -7.080 8.615 523 HA MET 79 HA MET 79 4.240 -5.399 10.236 524 HB2 MET 79 HB2 MET 79 3.059 -5.088 7.469 525 HB3 MET 79 HB1 MET 79 4.079 -3.839 8.182 526 HG2 MET 79 HG2 MET 79 5.891 -5.488 8.481 527 HG3 MET 79 HG1 MET 79 4.868 -6.742 7.780 528 HE1 MET 79 HE1 MET 79 6.540 -2.988 5.833 529 HE2 MET 79 HE2 MET 79 7.643 -4.039 6.717 530 HE3 MET 79 HE3 MET 79 6.246 -3.354 7.538 531 H PHE 80 HN PHE 80 0.938 -4.993 9.006 532 HA PHE 80 HA PHE 80 0.370 -2.362 9.634 533 HD1 PHE 80 HD2 PHE 80 0.178 -3.900 7.408 534 HD2 PHE 80 HD1 PHE 80 -3.522 -2.488 9.073 535 HE1 PHE 80 HE2 PHE 80 -0.471 -2.982 5.198 536 HE2 PHE 80 HE1 PHE 80 -4.162 -1.563 6.869 537 HZ PHE 80 HZ PHE 80 -2.638 -1.809 4.930 538 HB2 PHE 80 HB2 PHE 80 -1.223 -4.886 9.687 539 HB3 PHE 80 HB1 PHE 80 -1.952 -3.492 10.482 540 H GLN 81 HN GLN 81 1.329 -1.450 11.368 541 HA GLN 81 HA GLN 81 1.467 -2.644 13.992 542 HB2 GLN 81 HB2 GLN 81 2.982 -0.818 13.179 543 HB3 GLN 81 HB1 GLN 81 1.614 0.292 13.246 544 HG2 GLN 81 HG2 GLN 81 1.357 -0.171 15.663 545 HG3 GLN 81 HG1 GLN 81 2.736 -1.267 15.594 546 HE21 GLN 81 HE21 GLN 81 4.315 -0.113 16.765 547 HE22 GLN 81 HE22 GLN 81 4.816 1.463 16.385 548 H GLU 82 HN GLU 82 -0.811 -0.445 12.409 549 HA GLU 82 HA GLU 82 -2.468 -0.418 14.893 550 HB2 GLU 82 HB2 GLU 82 -2.269 1.403 12.502 551 HB3 GLU 82 HB1 GLU 82 -3.725 1.415 13.496 552 HG2 GLU 82 HG2 GLU 82 -2.527 2.072 15.438 553 HG3 GLU 82 HG1 GLU 82 -0.971 1.672 14.711 554 HA PRO 83 HA PRO 83 -5.470 -3.097 13.062 555 HB2 PRO 83 HB2 PRO 83 -7.787 -2.131 14.200 556 HB3 PRO 83 HB1 PRO 83 -6.586 -3.098 15.081 557 HG2 PRO 83 HG2 PRO 83 -6.964 -0.133 15.042 558 HG3 PRO 83 HG1 PRO 83 -6.627 -1.205 16.412 559 HD2 PRO 83 HD2 PRO 83 -4.681 0.275 15.247 560 HD3 PRO 83 HD1 PRO 83 -4.356 -1.332 15.930 561 H ARG 84 HN ARG 84 -7.489 -3.108 11.749 562 HA ARG 84 HA ARG 84 -7.312 -1.300 9.546 563 HE ARG 84 HE ARG 84 -10.519 -5.509 9.421 564 HB2 ARG 84 HB2 ARG 84 -9.476 -3.239 10.398 565 HB3 ARG 84 HB1 ARG 84 -9.527 -2.344 8.878 566 HG2 ARG 84 HG2 ARG 84 -7.327 -3.312 8.256 567 HG3 ARG 84 HG1 ARG 84 -7.331 -4.249 9.750 568 HD2 ARG 84 HD2 ARG 84 -9.471 -4.431 7.607 569 HD3 ARG 84 HD1 ARG 84 -8.128 -5.561 7.772 570 HH11 ARG 84 HH21 ARG 84 -7.139 -6.253 9.302 571 HH12 ARG 84 HH22 ARG 84 -7.226 -7.413 10.585 572 HH21 ARG 84 HH11 ARG 84 -10.631 -7.012 11.080 573 HH22 ARG 84 HH12 ARG 84 -9.199 -7.841 11.590 574 H LYS 85 HN LYS 85 -8.459 0.510 9.030 575 HA LYS 85 HA LYS 85 -10.651 1.427 10.816 576 HB2 LYS 85 HB2 LYS 85 -8.099 2.956 10.250 577 HB3 LYS 85 HB1 LYS 85 -9.555 3.705 10.900 578 HG2 LYS 85 HG2 LYS 85 -9.502 2.134 12.811 579 HG3 LYS 85 HG1 LYS 85 -8.018 1.424 12.172 580 HD2 LYS 85 HD2 LYS 85 -6.894 3.619 12.352 581 HD3 LYS 85 HD1 LYS 85 -8.374 4.320 13.008 582 HE2 LYS 85 HE2 LYS 85 -8.277 2.730 14.904 583 HE3 LYS 85 HE1 LYS 85 -6.782 2.060 14.253 584 HZ1 LYS 85 HZ1 LYS 85 -6.508 4.836 14.379 585 HZ2 LYS 85 HZ2 LYS 85 -5.666 3.656 15.265 586 HZ3 LYS 85 HZ3 LYS 85 -7.106 4.317 15.877 587 H GLY 86 HN GLY 86 -9.328 3.928 9.003 588 HA2 GLY 86 HA2 GLY 86 -10.382 3.393 6.392 589 HA3 GLY 86 HA1 GLY 86 -11.593 4.255 7.340 590 H TYR 87 HN TYR 87 -10.425 5.314 5.048 591 HA TYR 87 HA TYR 87 -8.205 7.027 5.440 592 HD1 TYR 87 HD1 TYR 87 -6.875 7.529 3.285 593 HD2 TYR 87 HD2 TYR 87 -10.511 9.822 3.237 594 HE1 TYR 87 HE1 TYR 87 -5.615 9.511 2.485 595 HE2 TYR 87 HE2 TYR 87 -9.254 11.797 2.432 596 HH TYR 87 HH TYR 87 -7.264 12.624 1.920 597 HB2 TYR 87 HB2 TYR 87 -9.217 6.459 3.233 598 HB3 TYR 87 HB1 TYR 87 -10.594 7.480 3.640 599 H ASP 88 HN ASP 88 -11.683 7.613 5.862 600 HA ASP 88 HA ASP 88 -11.553 10.373 6.513 601 HB2 ASP 88 HB2 ASP 88 -13.672 9.205 6.063 602 HB3 ASP 88 HB1 ASP 88 -13.470 8.256 7.536 603 H GLU 89 HN GLU 89 -11.201 7.509 8.575 604 HA GLU 89 HA GLU 89 -11.170 8.802 11.097 605 HB2 GLU 89 HB2 GLU 89 -9.606 6.374 10.160 606 HB3 GLU 89 HB1 GLU 89 -9.817 6.836 11.848 607 HG2 GLU 89 HG2 GLU 89 -12.111 6.261 9.950 608 HG3 GLU 89 HG1 GLU 89 -11.436 5.074 11.063 609 H ILE 90 HN ILE 90 -8.364 7.859 9.085 610 HA ILE 90 HA ILE 90 -6.445 9.281 10.695 611 HB ILE 90 HB ILE 90 -4.943 8.991 8.718 612 HG12 ILE 90 HG12 ILE 90 -7.362 7.734 7.405 613 HG13 ILE 90 HG11 ILE 90 -6.808 9.361 7.025 614 HG21 ILE 90 HG21 ILE 90 -5.110 6.493 8.643 615 HG22 ILE 90 HG22 ILE 90 -6.655 6.608 9.486 616 HG23 ILE 90 HG23 ILE 90 -5.173 7.141 10.281 617 HD11 ILE 90 HD11 ILE 90 -5.951 7.483 5.491 618 HD12 ILE 90 HD12 ILE 90 -4.963 6.972 6.855 619 HD13 ILE 90 HD13 ILE 90 -4.739 8.574 6.155 620 H LEU 91 HN LEU 91 -8.584 10.266 8.140 621 HA LEU 91 HA LEU 91 -7.230 12.640 7.319 622 HG LEU 91 HG LEU 91 -8.165 13.065 5.190 623 HB2 LEU 91 HB2 LEU 91 -9.440 11.373 6.419 624 HB3 LEU 91 HB1 LEU 91 -10.230 12.630 7.361 625 HD11 LEU 91 HD11 LEU 91 -10.449 12.348 4.430 626 HD12 LEU 91 HD12 LEU 91 -9.984 13.958 3.880 627 HD13 LEU 91 HD13 LEU 91 -11.107 13.778 5.228 628 HD21 LEU 91 HD21 LEU 91 -9.526 14.896 7.152 629 HD22 LEU 91 HD22 LEU 91 -9.082 15.503 5.555 630 HD23 LEU 91 HD23 LEU 91 -7.843 14.865 6.634 631 H GLU 92 HN GLU 92 -9.457 11.966 9.983 632 HA GLU 92 HA GLU 92 -10.111 14.586 10.781 633 HB2 GLU 92 HB2 GLU 92 -9.464 12.177 12.503 634 HB3 GLU 92 HB1 GLU 92 -10.237 13.641 13.107 635 HG2 GLU 92 HG2 GLU 92 -11.333 11.906 10.871 636 HG3 GLU 92 HG1 GLU 92 -11.883 11.848 12.544 637 H HIS 93 HN HIS 93 -7.082 12.856 11.132 638 HA HIS 93 HA HIS 93 -5.732 15.378 11.794 639 HD1 HIS 93 HD1 HIS 93 -7.811 12.366 13.570 640 HD2 HIS 93 HD2 HIS 93 -3.738 11.859 14.301 641 HE1 HIS 93 HE1 HIS 93 -7.494 9.934 14.203 642 HB2 HIS 93 HB2 HIS 93 -4.623 14.442 13.815 643 HB3 HIS 93 HB1 HIS 93 -6.362 14.640 14.026 644 H HIS 94 HN HIS 94 -4.023 15.389 10.504 645 HA HIS 94 HA HIS 94 -3.008 13.058 9.150 646 HD1 HIS 94 HD1 HIS 94 -4.136 16.902 8.656 647 HD2 HIS 94 HD2 HIS 94 -2.651 13.931 6.136 648 HE1 HIS 94 HE1 HIS 94 -5.514 17.008 6.532 649 HB2 HIS 94 HB2 HIS 94 -1.927 15.868 9.493 650 HB3 HIS 94 HB1 HIS 94 -1.153 14.654 8.474 651 H HIS 95 HN HIS 95 -1.909 14.962 11.931 652 HA HIS 95 HA HIS 95 -0.419 12.640 12.926 653 HD1 HIS 95 HD1 HIS 95 0.419 15.691 10.066 654 HD2 HIS 95 HD2 HIS 95 1.690 16.587 13.935 655 HE1 HIS 95 HE1 HIS 95 0.658 18.212 10.178 656 HB2 HIS 95 HB2 HIS 95 1.732 13.873 13.087 657 HB3 HIS 95 HB1 HIS 95 1.233 13.613 11.416 658 H HIS 96 HN HIS 96 0.303 12.943 15.126 659 HA HIS 96 HA HIS 96 -0.608 15.397 16.527 660 HD1 HIS 96 HD1 HIS 96 -0.838 13.424 19.897 661 HD2 HIS 96 HD2 HIS 96 -3.528 15.936 17.939 662 HE1 HIS 96 HE1 HIS 96 -1.801 14.960 21.666 663 HB2 HIS 96 HB2 HIS 96 -2.499 13.704 16.525 664 HB3 HIS 96 HB1 HIS 96 -1.451 12.648 17.472 665 H HIS 97 HN HIS 97 0.735 15.918 18.160 666 HA HIS 97 HA HIS 97 3.038 14.130 18.704 667 HD1 HIS 97 HD1 HIS 97 3.849 16.543 21.825 668 HD2 HIS 97 HD2 HIS 97 5.970 15.425 18.415 669 HE1 HIS 97 HE1 HIS 97 6.221 16.078 22.578 670 HB2 HIS 97 HB2 HIS 97 3.369 16.553 18.107 671 HB3 HIS 97 HB1 HIS 97 2.567 16.985 19.616 672 H HIS 98 HN HIS 98 3.025 12.882 20.472 673 HA HIS 98 HA HIS 98 2.149 13.808 23.068 674 HD1 HIS 98 HD1 HIS 98 2.371 11.081 20.800 675 HD2 HIS 98 HD2 HIS 98 -1.710 10.730 21.581 676 HE1 HIS 98 HE1 HIS 98 1.555 9.082 19.473 677 HB2 HIS 98 HB2 HIS 98 0.276 12.273 23.401 678 HB3 HIS 98 HB1 HIS 98 -0.070 13.333 22.036 Start of MODEL 18 1 HA ALA 12 HA ALA 12 -9.106 10.704 -14.141 2 H1 ALA 12 HN ALA 12 -6.611 12.137 -14.123 3 HB1 ALA 12 HB1 ALA 12 -6.844 9.925 -15.057 4 HB2 ALA 12 HB2 ALA 12 -7.788 8.726 -14.175 5 HB3 ALA 12 HB3 ALA 12 -6.426 9.527 -13.392 6 H PHE 13 HN PHE 13 -10.110 9.550 -12.536 7 HA PHE 13 HA PHE 13 -9.978 10.582 -9.865 8 HD1 PHE 13 HD2 PHE 13 -12.573 10.916 -8.950 9 HD2 PHE 13 HD1 PHE 13 -12.371 9.152 -12.863 10 HE1 PHE 13 HE2 PHE 13 -14.301 12.502 -9.755 11 HE2 PHE 13 HE1 PHE 13 -14.101 10.739 -13.666 12 HZ PHE 13 HZ PHE 13 -15.065 12.413 -12.112 13 HB2 PHE 13 HB2 PHE 13 -11.292 8.092 -10.998 14 HB3 PHE 13 HB1 PHE 13 -11.537 8.669 -9.349 15 H PHE 14 HN PHE 14 -8.222 8.141 -11.505 16 HA PHE 14 HA PHE 14 -7.537 6.453 -9.274 17 HD1 PHE 14 HD2 PHE 14 -6.936 3.803 -10.224 18 HD2 PHE 14 HD1 PHE 14 -8.198 6.636 -13.195 19 HE1 PHE 14 HE2 PHE 14 -8.591 2.166 -11.081 20 HE2 PHE 14 HE1 PHE 14 -9.854 5.000 -14.052 21 HZ PHE 14 HZ PHE 14 -10.050 2.765 -12.994 22 HB2 PHE 14 HB2 PHE 14 -6.164 6.994 -11.923 23 HB3 PHE 14 HB1 PHE 14 -5.584 5.797 -10.763 24 H ASN 15 HN ASN 15 -6.175 9.437 -10.589 25 HA ASN 15 HA ASN 15 -3.678 9.409 -9.204 26 HB2 ASN 15 HB2 ASN 15 -5.467 11.630 -10.213 27 HB3 ASN 15 HB1 ASN 15 -3.936 11.980 -9.411 28 HD21 ASN 15 HD21 ASN 15 -4.358 12.650 -12.165 29 HD22 ASN 15 HD22 ASN 15 -3.340 11.674 -13.112 30 H GLU 16 HN GLU 16 -6.811 10.813 -8.259 31 HA GLU 16 HA GLU 16 -5.874 11.729 -5.677 32 HB2 GLU 16 HB2 GLU 16 -8.353 11.940 -5.189 33 HB3 GLU 16 HB1 GLU 16 -7.819 12.796 -6.636 34 HG2 GLU 16 HG2 GLU 16 -8.586 10.942 -8.045 35 HG3 GLU 16 HG1 GLU 16 -9.077 10.034 -6.619 36 H GLN 17 HN GLN 17 -7.448 8.801 -6.852 37 HA GLN 17 HA GLN 17 -8.033 7.648 -4.289 38 HB2 GLN 17 HB2 GLN 17 -8.985 6.893 -6.506 39 HB3 GLN 17 HB1 GLN 17 -7.413 6.185 -6.876 40 HG2 GLN 17 HG2 GLN 17 -8.829 4.440 -5.968 41 HG3 GLN 17 HG1 GLN 17 -7.597 4.830 -4.771 42 HE21 GLN 17 HE21 GLN 17 -8.771 4.393 -2.849 43 HE22 GLN 17 HE22 GLN 17 -10.198 5.206 -2.420 44 H LYS 18 HN LYS 18 -5.229 7.417 -6.455 45 HA LYS 18 HA LYS 18 -3.767 5.473 -4.931 46 HB2 LYS 18 HB2 LYS 18 -2.902 7.626 -6.881 47 HB3 LYS 18 HB1 LYS 18 -1.764 6.503 -6.136 48 HG2 LYS 18 HG2 LYS 18 -2.832 4.611 -7.132 49 HG3 LYS 18 HG1 LYS 18 -4.215 5.577 -7.648 50 HD2 LYS 18 HD2 LYS 18 -2.689 5.137 -9.540 51 HD3 LYS 18 HD1 LYS 18 -2.751 6.859 -9.168 52 HE2 LYS 18 HE2 LYS 18 -0.628 6.828 -8.123 53 HE3 LYS 18 HE1 LYS 18 -0.635 5.071 -7.967 54 HZ1 LYS 18 HZ1 LYS 18 0.036 6.736 -10.246 55 HZ2 LYS 18 HZ2 LYS 18 -0.868 5.341 -10.600 56 HZ3 LYS 18 HZ3 LYS 18 0.627 5.210 -9.805 57 H GLU 19 HN GLU 19 -3.834 9.016 -4.872 58 HA GLU 19 HA GLU 19 -1.707 9.399 -3.015 59 HB2 GLU 19 HB2 GLU 19 -3.947 10.988 -4.122 60 HB3 GLU 19 HB1 GLU 19 -3.479 11.500 -2.503 61 HG2 GLU 19 HG2 GLU 19 -2.188 12.747 -4.151 62 HG3 GLU 19 HG1 GLU 19 -1.117 11.656 -3.271 63 H LYS 20 HN LYS 20 -5.186 8.908 -2.503 64 HA LYS 20 HA LYS 20 -5.144 9.248 0.339 65 HB2 LYS 20 HB2 LYS 20 -6.977 7.623 -1.452 66 HB3 LYS 20 HB1 LYS 20 -7.269 7.884 0.267 67 HG2 LYS 20 HG2 LYS 20 -7.332 10.314 -0.095 68 HG3 LYS 20 HG1 LYS 20 -7.006 10.075 -1.813 69 HD2 LYS 20 HD2 LYS 20 -9.096 8.784 -2.037 70 HD3 LYS 20 HD1 LYS 20 -9.424 9.010 -0.320 71 HE2 LYS 20 HE2 LYS 20 -9.500 11.451 -0.644 72 HE3 LYS 20 HE1 LYS 20 -9.154 11.238 -2.361 73 HZ1 LYS 20 HZ1 LYS 20 -11.191 9.962 -2.579 74 HZ2 LYS 20 HZ2 LYS 20 -11.520 11.509 -1.961 75 HZ3 LYS 20 HZ3 LYS 20 -11.523 10.160 -0.928 76 H VAL 21 HN VAL 21 -4.782 6.410 -1.740 77 HA VAL 21 HA VAL 21 -4.586 4.461 0.355 78 HB VAL 21 HB VAL 21 -3.470 4.462 -2.470 79 HG11 VAL 21 HG11 VAL 21 -2.236 2.813 -1.287 80 HG12 VAL 21 HG12 VAL 21 -3.538 1.923 -2.073 81 HG13 VAL 21 HG13 VAL 21 -3.646 2.311 -0.356 82 HG21 VAL 21 HG21 VAL 21 -5.892 3.008 -1.385 83 HG22 VAL 21 HG22 VAL 21 -5.453 3.276 -3.072 84 HG23 VAL 21 HG23 VAL 21 -6.001 4.626 -2.079 85 H THR 22 HN THR 22 -2.135 6.311 -1.421 86 HA THR 22 HA THR 22 0.169 5.126 -0.241 87 HB THR 22 HB THR 22 -0.230 7.944 -1.283 88 HG1 THR 22 HG1 THR 22 -0.514 5.890 -2.612 89 HG21 THR 22 HG21 THR 22 1.774 8.001 -0.033 90 HG22 THR 22 HG22 THR 22 2.307 7.673 -1.681 91 HG23 THR 22 HG23 THR 22 2.218 6.361 -0.507 92 H LEU 23 HN LEU 23 -1.701 7.991 0.709 93 HA LEU 23 HA LEU 23 -0.071 8.724 2.928 94 HG LEU 23 HG LEU 23 -1.280 9.977 4.688 95 HB2 LEU 23 HB2 LEU 23 -1.994 10.032 1.760 96 HB3 LEU 23 HB1 LEU 23 -3.054 9.156 2.865 97 HD11 LEU 23 HD11 LEU 23 -1.090 12.128 2.559 98 HD12 LEU 23 HD12 LEU 23 0.208 11.010 2.970 99 HD13 LEU 23 HD13 LEU 23 -0.359 12.177 4.163 100 HD21 LEU 23 HD21 LEU 23 -2.675 12.059 4.982 101 HD22 LEU 23 HD22 LEU 23 -3.613 10.574 4.810 102 HD23 LEU 23 HD23 LEU 23 -3.456 11.681 3.446 103 H TYR 24 HN TYR 24 -2.878 6.601 2.668 104 HA TYR 24 HA TYR 24 -3.161 6.063 5.475 105 HD1 TYR 24 HD2 TYR 24 -5.922 5.105 6.094 106 HD2 TYR 24 HD1 TYR 24 -3.490 2.238 4.020 107 HE1 TYR 24 HE2 TYR 24 -6.696 3.332 7.643 108 HE2 TYR 24 HE1 TYR 24 -4.272 0.463 5.563 109 HH TYR 24 HH TYR 24 -6.721 1.132 8.051 110 HB2 TYR 24 HB2 TYR 24 -4.972 5.603 3.890 111 HB3 TYR 24 HB1 TYR 24 -3.967 4.430 3.045 112 H LEU 25 HN LEU 25 -1.354 4.505 2.878 113 HA LEU 25 HA LEU 25 -0.516 2.190 4.293 114 HG LEU 25 HG LEU 25 -1.424 2.330 1.747 115 HB2 LEU 25 HB2 LEU 25 0.651 3.766 1.996 116 HB3 LEU 25 HB1 LEU 25 1.478 2.341 2.620 117 HD11 LEU 25 HD11 LEU 25 -0.496 1.121 -0.293 118 HD12 LEU 25 HD12 LEU 25 1.098 1.698 0.193 119 HD13 LEU 25 HD13 LEU 25 -0.166 2.850 -0.226 120 HD21 LEU 25 HD21 LEU 25 -0.626 -0.218 1.480 121 HD22 LEU 25 HD22 LEU 25 -1.178 0.404 3.028 122 HD23 LEU 25 HD23 LEU 25 0.547 0.267 2.703 123 H LYS 26 HN LYS 26 1.122 5.323 3.903 124 HA LYS 26 HA LYS 26 3.417 4.619 5.467 125 HB2 LYS 26 HB2 LYS 26 3.754 7.108 5.611 126 HB3 LYS 26 HB1 LYS 26 3.518 6.503 3.973 127 HG2 LYS 26 HG2 LYS 26 1.195 7.171 4.007 128 HG3 LYS 26 HG1 LYS 26 1.308 7.663 5.688 129 HD2 LYS 26 HD2 LYS 26 1.491 9.672 4.398 130 HD3 LYS 26 HD1 LYS 26 3.112 9.303 4.983 131 HE2 LYS 26 HE2 LYS 26 3.814 8.496 2.865 132 HE3 LYS 26 HE1 LYS 26 2.158 8.361 2.272 133 HZ1 LYS 26 HZ1 LYS 26 3.160 10.981 3.120 134 HZ2 LYS 26 HZ2 LYS 26 1.997 10.597 1.942 135 HZ3 LYS 26 HZ3 LYS 26 3.648 10.369 1.615 136 H HIS 27 HN HIS 27 0.287 5.980 6.318 137 HA HIS 27 HA HIS 27 1.017 6.647 9.042 138 HD1 HIS 27 HD1 HIS 27 0.713 8.697 9.366 139 HD2 HIS 27 HD2 HIS 27 -2.214 8.660 6.402 140 HE1 HIS 27 HE1 HIS 27 0.672 11.025 8.373 141 HB2 HIS 27 HB2 HIS 27 -1.633 6.246 7.637 142 HB3 HIS 27 HB1 HIS 27 -1.525 6.678 9.344 143 H ASN 28 HN ASN 28 -0.383 3.800 7.488 144 HA ASN 28 HA ASN 28 -0.672 2.442 10.118 145 HB2 ASN 28 HB2 ASN 28 -1.426 1.631 7.292 146 HB3 ASN 28 HB1 ASN 28 -1.666 0.605 8.708 147 HD21 ASN 28 HD21 ASN 28 -3.040 3.202 6.879 148 HD22 ASN 28 HD22 ASN 28 -4.302 3.574 7.953 149 H ILE 29 HN ILE 29 1.747 2.954 7.928 150 HA ILE 29 HA ILE 29 3.187 0.497 8.820 151 HB ILE 29 HB ILE 29 3.290 1.471 5.961 152 HG12 ILE 29 HG12 ILE 29 1.711 -0.828 7.167 153 HG13 ILE 29 HG11 ILE 29 1.018 0.637 6.472 154 HG21 ILE 29 HG21 ILE 29 5.216 0.179 6.985 155 HG22 ILE 29 HG22 ILE 29 4.478 -0.577 5.574 156 HG23 ILE 29 HG23 ILE 29 4.100 -1.172 7.190 157 HD11 ILE 29 HD11 ILE 29 2.414 -1.634 5.084 158 HD12 ILE 29 HD12 ILE 29 2.387 -0.033 4.340 159 HD13 ILE 29 HD13 ILE 29 0.876 -0.869 4.692 160 HA PRO 30 HA PRO 30 5.642 4.379 9.593 161 HB2 PRO 30 HB2 PRO 30 6.930 2.408 11.454 162 HB3 PRO 30 HB1 PRO 30 6.406 4.075 11.769 163 HG2 PRO 30 HG2 PRO 30 5.020 1.995 12.691 164 HG3 PRO 30 HG1 PRO 30 4.204 3.456 12.105 165 HD2 PRO 30 HD2 PRO 30 4.490 0.792 10.759 166 HD3 PRO 30 HD1 PRO 30 3.130 1.935 10.719 167 H ASP 31 HN ASP 31 6.611 1.045 9.037 168 HA ASP 31 HA ASP 31 9.351 1.732 8.257 169 HB2 ASP 31 HB2 ASP 31 7.740 -0.836 8.127 170 HB3 ASP 31 HB1 ASP 31 9.421 -0.720 7.609 171 H PHE 32 HN PHE 32 6.678 2.560 6.799 172 HA PHE 32 HA PHE 32 6.646 1.420 4.210 173 HD1 PHE 32 HD1 PHE 32 7.097 5.056 2.906 174 HD2 PHE 32 HD2 PHE 32 3.821 2.276 2.949 175 HE1 PHE 32 HE1 PHE 32 6.674 5.517 0.509 176 HE2 PHE 32 HE2 PHE 32 3.394 2.745 0.557 177 HZ PHE 32 HZ PHE 32 4.825 4.365 -0.666 178 HB2 PHE 32 HB2 PHE 32 4.871 2.900 4.981 179 HB3 PHE 32 HB1 PHE 32 5.991 4.261 5.055 180 H ASN 33 HN ASN 33 7.963 1.578 2.527 181 HA ASN 33 HA ASN 33 10.188 3.601 2.574 182 HB2 ASN 33 HB2 ASN 33 10.891 1.208 2.814 183 HB3 ASN 33 HB1 ASN 33 10.122 0.863 1.265 184 HD21 ASN 33 HD21 ASN 33 12.797 0.336 1.312 185 HD22 ASN 33 HD22 ASN 33 13.681 1.536 0.499 186 H THR 34 HN THR 34 8.634 1.469 0.165 187 HA THR 34 HA THR 34 7.972 3.864 -1.487 188 HB THR 34 HB THR 34 10.105 3.149 -2.378 189 HG1 THR 34 HG1 THR 34 7.932 3.260 -3.724 190 HG21 THR 34 HG21 THR 34 8.867 0.381 -2.487 191 HG22 THR 34 HG22 THR 34 10.190 0.890 -1.438 192 HG23 THR 34 HG23 THR 34 10.427 0.818 -3.184 193 H VAL 35 HN VAL 35 6.521 3.272 -3.299 194 HA VAL 35 HA VAL 35 4.880 0.825 -2.761 195 HB VAL 35 HB VAL 35 3.676 2.635 -1.724 196 HG11 VAL 35 HG11 VAL 35 3.796 4.145 -4.344 197 HG12 VAL 35 HG12 VAL 35 4.898 4.461 -3.003 198 HG13 VAL 35 HG13 VAL 35 3.166 4.717 -2.801 199 HG21 VAL 35 HG21 VAL 35 2.463 0.994 -3.255 200 HG22 VAL 35 HG22 VAL 35 2.428 2.290 -4.451 201 HG23 VAL 35 HG23 VAL 35 1.611 2.497 -2.901 202 H THR 36 HN THR 36 4.184 -0.197 -4.569 203 HA THR 36 HA THR 36 4.705 1.111 -7.224 204 HB THR 36 HB THR 36 5.134 -1.798 -6.482 205 HG1 THR 36 HG1 THR 36 6.669 0.352 -6.263 206 HG21 THR 36 HG21 THR 36 5.184 -0.261 -9.072 207 HG22 THR 36 HG22 THR 36 4.486 -1.845 -8.731 208 HG23 THR 36 HG23 THR 36 6.234 -1.659 -8.856 209 H PHE 37 HN PHE 37 2.829 1.451 -8.176 210 HA PHE 37 HA PHE 37 0.446 -0.156 -7.516 211 HD1 PHE 37 HD2 PHE 37 1.929 3.461 -7.441 212 HD2 PHE 37 HD1 PHE 37 -1.920 1.602 -7.051 213 HE1 PHE 37 HE2 PHE 37 1.521 4.742 -5.356 214 HE2 PHE 37 HE1 PHE 37 -2.329 2.880 -4.966 215 HZ PHE 37 HZ PHE 37 -0.608 4.451 -4.119 216 HB2 PHE 37 HB2 PHE 37 0.894 2.245 -9.317 217 HB3 PHE 37 HB1 PHE 37 -0.668 1.449 -9.125 218 H THR 38 HN THR 38 -0.401 -1.695 -8.812 219 HA THR 38 HA THR 38 0.979 -2.279 -11.415 220 HB THR 38 HB THR 38 0.202 -4.607 -11.060 221 HG1 THR 38 HG1 THR 38 -0.394 -4.329 -8.442 222 HG21 THR 38 HG21 THR 38 1.697 -3.439 -8.696 223 HG22 THR 38 HG22 THR 38 2.418 -3.928 -10.229 224 HG23 THR 38 HG23 THR 38 1.693 -5.138 -9.170 225 H ASN 39 HN ASN 39 -2.132 -1.971 -9.761 226 HA ASN 39 HA ASN 39 -4.311 -1.712 -10.603 227 HB2 ASN 39 HB2 ASN 39 -2.679 -0.589 -12.898 228 HB3 ASN 39 HB1 ASN 39 -4.439 -0.531 -12.851 229 HD21 ASN 39 HD21 ASN 39 -2.870 1.862 -12.825 230 HD22 ASN 39 HD22 ASN 39 -3.062 2.612 -11.314 231 H GLU 40 HN GLU 40 -2.936 -4.256 -10.998 232 HA GLU 40 HA GLU 40 -3.939 -5.218 -13.628 233 HB2 GLU 40 HB2 GLU 40 -2.258 -6.524 -11.463 234 HB3 GLU 40 HB1 GLU 40 -2.823 -7.377 -12.900 235 HG2 GLU 40 HG2 GLU 40 -1.649 -5.814 -14.352 236 HG3 GLU 40 HG1 GLU 40 -1.172 -4.831 -12.968 237 H GLU 41 HN GLU 41 -5.548 -4.485 -11.055 238 HA GLU 41 HA GLU 41 -7.276 -6.933 -11.147 239 HB2 GLU 41 HB2 GLU 41 -6.406 -5.420 -8.671 240 HB3 GLU 41 HB1 GLU 41 -7.744 -6.569 -8.695 241 HG2 GLU 41 HG2 GLU 41 -6.243 -8.351 -9.445 242 HG3 GLU 41 HG1 GLU 41 -4.895 -7.217 -9.509 243 H PHE 42 HN PHE 42 -9.478 -6.532 -10.936 244 HA PHE 42 HA PHE 42 -10.521 -3.858 -10.409 245 HD1 PHE 42 HD1 PHE 42 -12.663 -5.733 -13.508 246 HD2 PHE 42 HD2 PHE 42 -8.416 -5.122 -13.730 247 HE1 PHE 42 HE1 PHE 42 -12.480 -7.596 -15.136 248 HE2 PHE 42 HE2 PHE 42 -8.234 -6.987 -15.356 249 HZ PHE 42 HZ PHE 42 -10.265 -8.223 -16.059 250 HB2 PHE 42 HB2 PHE 42 -11.605 -3.655 -12.673 251 HB3 PHE 42 HB1 PHE 42 -9.852 -3.467 -12.694 252 H ASN 43 HN ASN 43 -12.418 -4.182 -9.414 253 HA ASN 43 HA ASN 43 -13.721 -6.821 -9.603 254 HB2 ASN 43 HB2 ASN 43 -15.220 -5.731 -7.774 255 HB3 ASN 43 HB1 ASN 43 -13.550 -6.102 -7.367 256 HD21 ASN 43 HD21 ASN 43 -14.287 -4.248 -5.712 257 HD22 ASN 43 HD22 ASN 43 -13.892 -2.669 -6.192 258 HA PRO 44 HA PRO 44 -16.928 -5.510 -12.372 259 HB2 PRO 44 HB2 PRO 44 -19.071 -6.985 -11.376 260 HB3 PRO 44 HB1 PRO 44 -17.792 -7.653 -12.407 261 HG2 PRO 44 HG2 PRO 44 -18.120 -7.823 -9.448 262 HG3 PRO 44 HG1 PRO 44 -17.513 -9.036 -10.589 263 HD2 PRO 44 HD2 PRO 44 -15.861 -7.569 -8.998 264 HD3 PRO 44 HD1 PRO 44 -15.371 -8.154 -10.600 265 H ILE 45 HN ILE 45 -17.382 -5.205 -8.935 266 HA ILE 45 HA ILE 45 -19.816 -3.663 -9.009 267 HB ILE 45 HB ILE 45 -18.860 -4.891 -6.993 268 HG12 ILE 45 HG12 ILE 45 -19.519 -3.047 -5.389 269 HG13 ILE 45 HG11 ILE 45 -19.604 -1.962 -6.774 270 HG21 ILE 45 HG21 ILE 45 -17.164 -2.426 -6.611 271 HG22 ILE 45 HG22 ILE 45 -16.536 -3.864 -7.410 272 HG23 ILE 45 HG23 ILE 45 -17.092 -3.960 -5.741 273 HD11 ILE 45 HD11 ILE 45 -21.762 -3.274 -5.906 274 HD12 ILE 45 HD12 ILE 45 -21.127 -4.542 -6.952 275 HD13 ILE 45 HD13 ILE 45 -21.513 -2.953 -7.618 276 H GLY 46 HN GLY 46 -16.445 -2.937 -9.402 277 HA2 GLY 46 HA2 GLY 46 -16.920 -0.357 -10.531 278 HA3 GLY 46 HA1 GLY 46 -16.432 -0.159 -8.848 279 H ILE 47 HN ILE 47 -14.304 0.155 -8.623 280 HA ILE 47 HA ILE 47 -12.412 -1.244 -10.494 281 HB ILE 47 HB ILE 47 -10.969 0.739 -10.390 282 HG12 ILE 47 HG12 ILE 47 -13.243 2.026 -8.836 283 HG13 ILE 47 HG11 ILE 47 -11.703 1.541 -8.135 284 HG21 ILE 47 HG21 ILE 47 -13.793 1.541 -11.129 285 HG22 ILE 47 HG22 ILE 47 -12.782 0.495 -12.127 286 HG23 ILE 47 HG23 ILE 47 -12.292 2.161 -11.816 287 HD11 ILE 47 HD11 ILE 47 -10.610 3.021 -9.933 288 HD12 ILE 47 HD12 ILE 47 -11.433 3.843 -8.608 289 HD13 ILE 47 HD13 ILE 47 -12.221 3.698 -10.180 290 H SER 48 HN SER 48 -10.308 -1.631 -9.620 291 HA SER 48 HA SER 48 -10.047 -1.520 -6.656 292 HG SER 48 HG SER 48 -11.609 -3.543 -6.386 293 HB2 SER 48 HB2 SER 48 -9.564 -4.041 -8.266 294 HB3 SER 48 HB1 SER 48 -9.415 -3.856 -6.521 295 H ILE 49 HN ILE 49 -7.966 -1.184 -6.018 296 HA ILE 49 HA ILE 49 -5.883 -0.984 -8.173 297 HB ILE 49 HB ILE 49 -6.141 0.507 -5.544 298 HG12 ILE 49 HG12 ILE 49 -6.280 1.522 -8.401 299 HG13 ILE 49 HG11 ILE 49 -7.706 1.122 -7.445 300 HG21 ILE 49 HG21 ILE 49 -3.811 0.228 -5.976 301 HG22 ILE 49 HG22 ILE 49 -4.210 1.832 -6.594 302 HG23 ILE 49 HG23 ILE 49 -4.027 0.477 -7.709 303 HD11 ILE 49 HD11 ILE 49 -7.101 2.783 -5.769 304 HD12 ILE 49 HD12 ILE 49 -7.150 3.549 -7.357 305 HD13 ILE 49 HD13 ILE 49 -5.599 3.140 -6.622 306 H ASP 50 HN ASP 50 -4.231 -2.329 -8.033 307 HA ASP 50 HA ASP 50 -3.654 -3.715 -5.429 308 HB2 ASP 50 HB2 ASP 50 -4.609 -5.195 -7.202 309 HB3 ASP 50 HB1 ASP 50 -3.249 -4.775 -8.242 310 H GLY 51 HN GLY 51 -1.547 -3.853 -4.806 311 HA2 GLY 51 HA2 GLY 51 0.714 -3.311 -6.512 312 HA3 GLY 51 HA1 GLY 51 0.311 -1.876 -5.569 313 H TYR 52 HN TYR 52 2.642 -2.593 -4.872 314 HA TYR 52 HA TYR 52 2.338 -4.016 -2.280 315 HD1 TYR 52 HD1 TYR 52 2.787 -5.167 -6.020 316 HD2 TYR 52 HD2 TYR 52 6.381 -4.140 -3.904 317 HE1 TYR 52 HE1 TYR 52 3.933 -4.742 -8.177 318 HE2 TYR 52 HE2 TYR 52 7.527 -3.713 -6.063 319 HH TYR 52 HH TYR 52 6.916 -4.759 -8.705 320 HB2 TYR 52 HB2 TYR 52 4.545 -5.186 -2.759 321 HB3 TYR 52 HB1 TYR 52 3.147 -5.798 -3.633 322 H ILE 53 HN ILE 53 4.209 -3.697 -0.874 323 HA ILE 53 HA ILE 53 5.535 -1.042 -1.372 324 HB ILE 53 HB ILE 53 5.485 -0.734 1.084 325 HG12 ILE 53 HG12 ILE 53 3.758 -3.235 1.102 326 HG13 ILE 53 HG11 ILE 53 5.427 -3.181 1.663 327 HG21 ILE 53 HG21 ILE 53 3.153 -0.176 1.234 328 HG22 ILE 53 HG22 ILE 53 2.728 -1.379 0.015 329 HG23 ILE 53 HG23 ILE 53 3.638 0.061 -0.445 330 HD11 ILE 53 HD11 ILE 53 4.120 -2.898 3.627 331 HD12 ILE 53 HD12 ILE 53 3.026 -1.768 2.829 332 HD13 ILE 53 HD13 ILE 53 4.674 -1.275 3.216 333 H ASN 54 HN ASN 54 7.561 -0.763 -0.193 334 HA ASN 54 HA ASN 54 9.770 -1.383 0.200 335 HB2 ASN 54 HB2 ASN 54 8.334 -3.814 1.296 336 HB3 ASN 54 HB1 ASN 54 10.074 -3.575 1.435 337 HD21 ASN 54 HD21 ASN 54 7.020 -2.739 2.821 338 HD22 ASN 54 HD22 ASN 54 7.594 -1.594 3.933 339 H ASN 55 HN ASN 55 8.621 -1.885 -2.390 340 HA ASN 55 HA ASN 55 9.003 -3.093 -4.367 341 HB2 ASN 55 HB2 ASN 55 11.233 -1.976 -3.748 342 HB3 ASN 55 HB1 ASN 55 11.747 -3.569 -3.190 343 HD21 ASN 55 HD21 ASN 55 11.176 -1.605 -6.019 344 HD22 ASN 55 HD22 ASN 55 11.593 -2.781 -7.168 345 H ASP 56 HN ASP 56 8.217 -4.620 -1.834 346 HA ASP 56 HA ASP 56 9.284 -7.324 -2.534 347 HB2 ASP 56 HB2 ASP 56 7.850 -6.246 -0.098 348 HB3 ASP 56 HB1 ASP 56 8.132 -7.967 -0.357 349 H LYS 57 HN LYS 57 8.085 -8.245 -4.064 350 HA LYS 57 HA LYS 57 5.421 -7.632 -4.785 351 HB2 LYS 57 HB2 LYS 57 7.013 -10.193 -5.130 352 HB3 LYS 57 HB1 LYS 57 5.462 -9.893 -5.912 353 HG2 LYS 57 HG2 LYS 57 6.413 -7.874 -6.997 354 HG3 LYS 57 HG1 LYS 57 7.970 -8.215 -6.242 355 HD2 LYS 57 HD2 LYS 57 8.109 -10.358 -7.426 356 HD3 LYS 57 HD1 LYS 57 6.517 -10.088 -8.137 357 HE2 LYS 57 HE2 LYS 57 8.271 -9.487 -9.747 358 HE3 LYS 57 HE1 LYS 57 7.378 -8.048 -9.257 359 HZ1 LYS 57 HZ1 LYS 57 9.781 -8.820 -7.759 360 HZ2 LYS 57 HZ2 LYS 57 9.114 -7.278 -8.007 361 HZ3 LYS 57 HZ3 LYS 57 9.964 -8.050 -9.259 362 H ASN 58 HN ASN 58 6.676 -9.886 -2.386 363 HA ASN 58 HA ASN 58 4.288 -11.369 -1.904 364 HB2 ASN 58 HB2 ASN 58 6.669 -10.679 -0.171 365 HB3 ASN 58 HB1 ASN 58 5.337 -11.660 0.442 366 HD21 ASN 58 HD21 ASN 58 4.792 -13.053 -2.087 367 HD22 ASN 58 HD22 ASN 58 6.097 -14.100 -2.360 368 H LEU 59 HN LEU 59 5.444 -8.293 -0.546 369 HA LEU 59 HA LEU 59 3.146 -8.088 1.269 370 HG LEU 59 HG LEU 59 6.261 -7.986 1.422 371 HB2 LEU 59 HB2 LEU 59 5.170 -5.965 0.486 372 HB3 LEU 59 HB1 LEU 59 4.085 -5.918 1.874 373 HD11 LEU 59 HD11 LEU 59 6.998 -5.621 2.004 374 HD12 LEU 59 HD12 LEU 59 7.487 -6.863 3.155 375 HD13 LEU 59 HD13 LEU 59 6.123 -5.808 3.523 376 HD21 LEU 59 HD21 LEU 59 5.666 -8.376 3.953 377 HD22 LEU 59 HD22 LEU 59 4.636 -9.086 2.716 378 HD23 LEU 59 HD23 LEU 59 4.135 -7.606 3.532 379 H SER 60 HN SER 60 1.658 -8.424 -0.639 380 HA SER 60 HA SER 60 1.243 -6.051 -2.345 381 HG SER 60 HG SER 60 -0.594 -8.749 -1.229 382 HB2 SER 60 HB2 SER 60 -0.617 -7.472 -3.304 383 HB3 SER 60 HB1 SER 60 1.001 -8.145 -3.476 384 H PHE 61 HN PHE 61 -0.915 -5.101 -2.518 385 HA PHE 61 HA PHE 61 -2.711 -5.427 -0.190 386 HD1 PHE 61 HD1 PHE 61 -3.319 -1.618 -1.547 387 HD2 PHE 61 HD2 PHE 61 0.710 -2.991 -0.977 388 HE1 PHE 61 HE1 PHE 61 -2.507 0.102 -3.139 389 HE2 PHE 61 HE2 PHE 61 1.521 -1.275 -2.577 390 HZ PHE 61 HZ PHE 61 -0.089 0.272 -3.657 391 HB2 PHE 61 HB2 PHE 61 -2.684 -3.057 0.382 392 HB3 PHE 61 HB1 PHE 61 -1.054 -3.706 0.511 393 H THR 62 HN THR 62 -4.793 -4.547 -0.549 394 HA THR 62 HA THR 62 -5.355 -3.635 -3.355 395 HB THR 62 HB THR 62 -6.997 -5.626 -1.772 396 HG1 THR 62 HG1 THR 62 -5.578 -6.072 -4.166 397 HG21 THR 62 HG21 THR 62 -8.456 -4.392 -3.188 398 HG22 THR 62 HG22 THR 62 -8.084 -5.866 -4.083 399 HG23 THR 62 HG23 THR 62 -7.275 -4.355 -4.498 400 H ALA 63 HN ALA 63 -6.710 -1.955 -3.501 401 HA ALA 63 HA ALA 63 -8.407 -1.203 -1.163 402 HB1 ALA 63 HB1 ALA 63 -6.700 0.797 -2.660 403 HB2 ALA 63 HB2 ALA 63 -6.210 0.065 -1.132 404 HB3 ALA 63 HB3 ALA 63 -7.656 1.074 -1.204 405 H GLY 64 HN GLY 64 -10.276 -0.126 -1.731 406 HA2 GLY 64 HA2 GLY 64 -10.941 -0.112 -4.656 407 HA3 GLY 64 HA1 GLY 64 -12.105 -0.336 -3.354 408 H LYS 65 HN LYS 65 -13.333 1.378 -4.281 409 HA LYS 65 HA LYS 65 -12.381 4.033 -4.691 410 HB2 LYS 65 HB2 LYS 65 -15.159 2.979 -4.083 411 HB3 LYS 65 HB1 LYS 65 -14.825 4.648 -4.544 412 HG2 LYS 65 HG2 LYS 65 -13.812 3.864 -6.657 413 HG3 LYS 65 HG1 LYS 65 -14.143 2.194 -6.199 414 HD2 LYS 65 HD2 LYS 65 -16.573 2.719 -6.119 415 HD3 LYS 65 HD1 LYS 65 -16.217 4.364 -6.647 416 HE2 LYS 65 HE2 LYS 65 -15.471 1.877 -8.209 417 HE3 LYS 65 HE1 LYS 65 -16.905 2.850 -8.525 418 HZ1 LYS 65 HZ1 LYS 65 -15.703 4.481 -9.455 419 HZ2 LYS 65 HZ2 LYS 65 -14.538 3.267 -9.684 420 HZ3 LYS 65 HZ3 LYS 65 -14.417 4.325 -8.360 421 H ASP 66 HN ASP 66 -12.067 5.697 -3.341 422 HA ASP 66 HA ASP 66 -11.673 6.815 -1.324 423 HB2 ASP 66 HB2 ASP 66 -14.434 5.658 -0.885 424 HB3 ASP 66 HB1 ASP 66 -13.673 6.774 0.250 425 H VAL 67 HN VAL 67 -10.728 4.039 -1.583 426 HA VAL 67 HA VAL 67 -9.873 2.306 -0.272 427 HB VAL 67 HB VAL 67 -9.696 4.274 2.009 428 HG11 VAL 67 HG11 VAL 67 -8.750 1.961 2.170 429 HG12 VAL 67 HG12 VAL 67 -7.517 3.215 2.304 430 HG13 VAL 67 HG13 VAL 67 -7.712 2.327 0.792 431 HG21 VAL 67 HG21 VAL 67 -7.656 5.208 0.843 432 HG22 VAL 67 HG22 VAL 67 -9.184 5.651 0.082 433 HG23 VAL 67 HG23 VAL 67 -8.186 4.379 -0.621 434 H LYS 68 HN LYS 68 -12.764 2.707 -0.215 435 HA LYS 68 HA LYS 68 -13.835 2.397 2.401 436 HB2 LYS 68 HB2 LYS 68 -15.256 2.896 0.454 437 HB3 LYS 68 HB1 LYS 68 -14.855 1.336 -0.257 438 HG2 LYS 68 HG2 LYS 68 -17.051 1.239 0.834 439 HG3 LYS 68 HG1 LYS 68 -15.917 0.195 1.681 440 HD2 LYS 68 HD2 LYS 68 -15.675 1.703 3.483 441 HD3 LYS 68 HD1 LYS 68 -16.330 3.056 2.559 442 HE2 LYS 68 HE2 LYS 68 -18.001 2.304 4.138 443 HE3 LYS 68 HE1 LYS 68 -18.533 1.857 2.517 444 HZ1 LYS 68 HZ1 LYS 68 -18.350 0.165 4.605 445 HZ2 LYS 68 HZ2 LYS 68 -16.880 -0.122 3.803 446 HZ3 LYS 68 HZ3 LYS 68 -18.353 -0.306 2.976 447 H ILE 69 HN ILE 69 -12.792 0.022 -0.018 448 HA ILE 69 HA ILE 69 -12.903 -2.113 2.093 449 HB ILE 69 HB ILE 69 -12.986 -2.342 -0.932 450 HG12 ILE 69 HG12 ILE 69 -15.089 -3.044 1.138 451 HG13 ILE 69 HG11 ILE 69 -15.063 -1.509 0.270 452 HG21 ILE 69 HG21 ILE 69 -12.903 -4.384 1.298 453 HG22 ILE 69 HG22 ILE 69 -11.836 -4.260 -0.099 454 HG23 ILE 69 HG23 ILE 69 -13.509 -4.775 -0.311 455 HD11 ILE 69 HD11 ILE 69 -15.144 -2.761 -1.883 456 HD12 ILE 69 HD12 ILE 69 -16.560 -3.063 -0.876 457 HD13 ILE 69 HD13 ILE 69 -15.275 -4.266 -0.973 458 H PHE 70 HN PHE 70 -11.021 -2.902 2.760 459 HA PHE 70 HA PHE 70 -8.601 -2.638 1.018 460 HD1 PHE 70 HD1 PHE 70 -6.629 -0.903 1.106 461 HD2 PHE 70 HD2 PHE 70 -6.759 -3.147 4.766 462 HE1 PHE 70 HE1 PHE 70 -4.166 -1.186 1.020 463 HE2 PHE 70 HE2 PHE 70 -4.297 -3.428 4.681 464 HZ PHE 70 HZ PHE 70 -3.001 -2.449 2.808 465 HB2 PHE 70 HB2 PHE 70 -8.608 -0.821 2.709 466 HB3 PHE 70 HB1 PHE 70 -8.709 -2.034 3.986 467 H SER 71 HN SER 71 -7.284 -4.377 1.036 468 HA SER 71 HA SER 71 -7.770 -6.553 3.039 469 HG SER 71 HG SER 71 -6.823 -8.848 1.077 470 HB2 SER 71 HB2 SER 71 -8.904 -7.026 0.828 471 HB3 SER 71 HB1 SER 71 -7.310 -7.019 0.081 472 H SER 72 HN SER 72 -5.947 -7.718 3.601 473 HA SER 72 HA SER 72 -3.333 -6.900 2.400 474 HG SER 72 HG SER 72 -2.168 -7.966 5.224 475 HB2 SER 72 HB2 SER 72 -3.443 -5.594 4.391 476 HB3 SER 72 HB1 SER 72 -4.121 -6.930 5.315 477 H SER 73 HN SER 73 -1.758 -8.467 2.423 478 HA SER 73 HA SER 73 -2.678 -11.229 2.548 479 HG SER 73 HG SER 73 1.124 -10.164 1.623 480 HB2 SER 73 HB2 SER 73 -0.469 -11.785 1.720 481 HB3 SER 73 HB1 SER 73 -1.047 -10.370 0.846 482 H GLU 74 HN GLU 74 -1.128 -12.845 3.650 483 HA GLU 74 HA GLU 74 -1.324 -12.556 6.460 484 HB2 GLU 74 HB2 GLU 74 -1.072 -14.737 5.269 485 HB3 GLU 74 HB1 GLU 74 0.604 -14.322 4.911 486 HG2 GLU 74 HG2 GLU 74 1.120 -14.205 7.303 487 HG3 GLU 74 HG1 GLU 74 -0.566 -14.530 7.702 488 H GLU 75 HN GLU 75 1.536 -12.207 4.364 489 HA GLU 75 HA GLU 75 3.333 -11.479 6.489 490 HB2 GLU 75 HB2 GLU 75 3.445 -10.952 3.498 491 HB3 GLU 75 HB1 GLU 75 4.777 -10.628 4.607 492 HG2 GLU 75 HG2 GLU 75 5.308 -12.772 3.821 493 HG3 GLU 75 HG1 GLU 75 4.467 -13.134 5.325 494 H LEU 76 HN LEU 76 1.487 -9.551 4.148 495 HA LEU 76 HA LEU 76 2.437 -7.009 5.033 496 HG LEU 76 HG LEU 76 -0.303 -5.507 4.743 497 HB2 LEU 76 HB2 LEU 76 1.272 -7.317 2.879 498 HB3 LEU 76 HB1 LEU 76 -0.207 -7.746 3.731 499 HD11 LEU 76 HD11 LEU 76 2.397 -5.261 3.431 500 HD12 LEU 76 HD12 LEU 76 1.884 -4.751 5.039 501 HD13 LEU 76 HD13 LEU 76 1.409 -3.811 3.628 502 HD21 LEU 76 HD21 LEU 76 -1.187 -6.001 2.382 503 HD22 LEU 76 HD22 LEU 76 0.241 -5.158 1.791 504 HD23 LEU 76 HD23 LEU 76 -0.936 -4.304 2.789 505 H ASP 77 HN ASP 77 -0.323 -8.994 6.008 506 HA ASP 77 HA ASP 77 -1.605 -7.155 7.752 507 HB2 ASP 77 HB2 ASP 77 -2.628 -9.295 7.093 508 HB3 ASP 77 HB1 ASP 77 -1.369 -10.180 7.953 509 H LYS 78 HN LYS 78 1.055 -9.440 8.321 510 HA LYS 78 HA LYS 78 1.308 -8.960 11.142 511 HB2 LYS 78 HB2 LYS 78 3.305 -9.927 9.076 512 HB3 LYS 78 HB1 LYS 78 3.638 -9.867 10.807 513 HG2 LYS 78 HG2 LYS 78 1.795 -11.389 11.268 514 HG3 LYS 78 HG1 LYS 78 1.307 -11.363 9.575 515 HD2 LYS 78 HD2 LYS 78 2.601 -13.404 10.091 516 HD3 LYS 78 HD1 LYS 78 3.449 -12.391 8.924 517 HE2 LYS 78 HE2 LYS 78 4.799 -13.366 10.923 518 HE3 LYS 78 HE1 LYS 78 5.029 -11.669 10.516 519 HZ1 LYS 78 HZ1 LYS 78 2.948 -12.443 12.449 520 HZ2 LYS 78 HZ2 LYS 78 3.798 -10.977 12.316 521 HZ3 LYS 78 HZ3 LYS 78 4.564 -12.353 12.954 522 H MET 79 HN MET 79 2.705 -7.367 8.303 523 HA MET 79 HA MET 79 4.610 -5.732 9.675 524 HB2 MET 79 HB2 MET 79 3.092 -5.383 7.078 525 HB3 MET 79 HB1 MET 79 4.241 -4.174 7.646 526 HG2 MET 79 HG2 MET 79 4.931 -7.102 7.308 527 HG3 MET 79 HG1 MET 79 5.226 -5.889 6.066 528 HE1 MET 79 HE1 MET 79 6.365 -3.210 7.828 529 HE2 MET 79 HE2 MET 79 6.427 -3.940 6.227 530 HE3 MET 79 HE3 MET 79 7.914 -3.712 7.141 531 H PHE 80 HN PHE 80 1.170 -5.289 8.982 532 HA PHE 80 HA PHE 80 0.906 -2.584 9.810 533 HD1 PHE 80 HD1 PHE 80 0.534 -4.048 7.417 534 HD2 PHE 80 HD2 PHE 80 -2.914 -2.219 9.214 535 HE1 PHE 80 HE1 PHE 80 -0.006 -2.941 5.267 536 HE2 PHE 80 HE2 PHE 80 -3.448 -1.115 7.069 537 HZ PHE 80 HZ PHE 80 -1.995 -1.471 5.091 538 HB2 PHE 80 HB2 PHE 80 -0.943 -4.947 9.661 539 HB3 PHE 80 HB1 PHE 80 -1.501 -3.521 10.535 540 H GLN 81 HN GLN 81 0.739 -1.624 11.762 541 HA GLN 81 HA GLN 81 1.193 -3.330 14.185 542 HB2 GLN 81 HB2 GLN 81 2.941 -1.635 13.667 543 HB3 GLN 81 HB1 GLN 81 1.714 -0.371 13.769 544 HG2 GLN 81 HG2 GLN 81 1.299 -0.852 16.090 545 HG3 GLN 81 HG1 GLN 81 2.298 -2.304 16.025 546 HE21 GLN 81 HE21 GLN 81 2.855 -0.208 17.893 547 HE22 GLN 81 HE22 GLN 81 4.328 0.516 17.462 548 H GLU 82 HN GLU 82 -1.049 -1.269 12.594 549 HA GLU 82 HA GLU 82 -2.739 -1.251 15.061 550 HB2 GLU 82 HB2 GLU 82 -3.661 0.977 14.023 551 HB3 GLU 82 HB1 GLU 82 -2.151 1.009 14.934 552 HG2 GLU 82 HG2 GLU 82 -0.841 0.966 12.910 553 HG3 GLU 82 HG1 GLU 82 -2.278 0.680 11.926 554 HA PRO 83 HA PRO 83 -5.836 -3.082 12.475 555 HB2 PRO 83 HB2 PRO 83 -8.122 -2.180 13.720 556 HB3 PRO 83 HB1 PRO 83 -7.076 -3.450 14.389 557 HG2 PRO 83 HG2 PRO 83 -7.189 -0.540 15.070 558 HG3 PRO 83 HG1 PRO 83 -7.023 -1.943 16.141 559 HD2 PRO 83 HD2 PRO 83 -4.897 -0.407 15.432 560 HD3 PRO 83 HD1 PRO 83 -4.751 -2.150 15.749 561 H ARG 84 HN ARG 84 -7.549 -2.602 10.952 562 HA ARG 84 HA ARG 84 -7.142 -0.185 9.477 563 HE ARG 84 HE ARG 84 -9.598 -0.620 4.755 564 HB2 ARG 84 HB2 ARG 84 -7.875 -2.320 8.451 565 HB3 ARG 84 HB1 ARG 84 -9.418 -2.183 9.294 566 HG2 ARG 84 HG2 ARG 84 -9.856 -0.046 8.140 567 HG3 ARG 84 HG1 ARG 84 -8.315 -0.193 7.298 568 HD2 ARG 84 HD2 ARG 84 -9.101 -2.350 6.324 569 HD3 ARG 84 HD1 ARG 84 -10.671 -2.088 7.082 570 HH11 ARG 84 HH21 ARG 84 -11.961 -0.860 7.281 571 HH12 ARG 84 HH22 ARG 84 -13.103 0.158 6.470 572 HH21 ARG 84 HH11 ARG 84 -11.085 0.695 3.708 573 HH22 ARG 84 HH12 ARG 84 -12.610 1.034 4.456 574 H LYS 85 HN LYS 85 -8.142 1.721 9.598 575 HA LYS 85 HA LYS 85 -10.528 2.012 11.408 576 HB2 LYS 85 HB2 LYS 85 -8.243 3.926 10.843 577 HB3 LYS 85 HB1 LYS 85 -9.694 4.350 11.752 578 HG2 LYS 85 HG2 LYS 85 -9.204 2.598 13.395 579 HG3 LYS 85 HG1 LYS 85 -7.774 2.121 12.480 580 HD2 LYS 85 HD2 LYS 85 -6.830 4.394 12.807 581 HD3 LYS 85 HD1 LYS 85 -8.240 4.824 13.775 582 HE2 LYS 85 HE2 LYS 85 -6.379 2.520 14.419 583 HE3 LYS 85 HE1 LYS 85 -6.264 4.120 15.153 584 HZ1 LYS 85 HZ1 LYS 85 -7.548 2.864 16.623 585 HZ2 LYS 85 HZ2 LYS 85 -8.461 2.154 15.378 586 HZ3 LYS 85 HZ3 LYS 85 -8.681 3.793 15.769 587 H GLY 86 HN GLY 86 -8.934 4.124 9.008 588 HA2 GLY 86 HA2 GLY 86 -10.637 3.914 6.838 589 HA3 GLY 86 HA1 GLY 86 -11.521 4.962 7.946 590 H TYR 87 HN TYR 87 -10.558 5.763 5.402 591 HA TYR 87 HA TYR 87 -8.084 7.193 5.470 592 HD1 TYR 87 HD2 TYR 87 -6.911 7.899 3.352 593 HD2 TYR 87 HD1 TYR 87 -10.656 10.003 3.323 594 HE1 TYR 87 HE2 TYR 87 -5.773 9.917 2.472 595 HE2 TYR 87 HE1 TYR 87 -9.517 12.019 2.438 596 HH TYR 87 HH TYR 87 -7.031 12.214 0.945 597 HB2 TYR 87 HB2 TYR 87 -9.251 6.726 3.362 598 HB3 TYR 87 HB1 TYR 87 -10.617 7.718 3.875 599 H ASP 88 HN ASP 88 -11.416 8.208 6.193 600 HA ASP 88 HA ASP 88 -10.661 10.934 6.867 601 HB2 ASP 88 HB2 ASP 88 -13.151 9.287 7.397 602 HB3 ASP 88 HB1 ASP 88 -12.994 10.972 7.893 603 H GLU 89 HN GLU 89 -10.742 7.898 8.544 604 HA GLU 89 HA GLU 89 -10.879 8.918 11.246 605 HB2 GLU 89 HB2 GLU 89 -9.704 6.337 10.156 606 HB3 GLU 89 HB1 GLU 89 -10.009 6.665 11.861 607 HG2 GLU 89 HG2 GLU 89 -12.143 6.715 9.708 608 HG3 GLU 89 HG1 GLU 89 -11.835 5.338 10.766 609 H ILE 90 HN ILE 90 -8.189 7.944 9.133 610 HA ILE 90 HA ILE 90 -6.098 8.525 11.022 611 HB ILE 90 HB ILE 90 -4.625 8.512 8.974 612 HG12 ILE 90 HG12 ILE 90 -7.182 7.877 7.495 613 HG13 ILE 90 HG11 ILE 90 -6.439 9.467 7.463 614 HG21 ILE 90 HG21 ILE 90 -4.961 6.154 8.513 615 HG22 ILE 90 HG22 ILE 90 -6.626 6.240 9.085 616 HG23 ILE 90 HG23 ILE 90 -5.291 6.442 10.221 617 HD11 ILE 90 HD11 ILE 90 -5.851 7.798 5.563 618 HD12 ILE 90 HD12 ILE 90 -4.820 7.034 6.770 619 HD13 ILE 90 HD13 ILE 90 -4.549 8.714 6.313 620 H LEU 91 HN LEU 91 -7.746 10.433 8.560 621 HA LEU 91 HA LEU 91 -6.010 12.704 8.619 622 HG LEU 91 HG LEU 91 -7.055 11.488 6.402 623 HB2 LEU 91 HB2 LEU 91 -8.918 12.303 7.902 624 HB3 LEU 91 HB1 LEU 91 -8.189 13.906 7.846 625 HD11 LEU 91 HD11 LEU 91 -7.966 12.809 4.353 626 HD12 LEU 91 HD12 LEU 91 -9.031 13.591 5.519 627 HD13 LEU 91 HD13 LEU 91 -9.104 11.843 5.294 628 HD21 LEU 91 HD21 LEU 91 -5.274 12.975 6.478 629 HD22 LEU 91 HD22 LEU 91 -6.308 14.394 6.615 630 HD23 LEU 91 HD23 LEU 91 -6.087 13.609 5.054 631 H GLU 92 HN GLU 92 -8.855 11.855 10.547 632 HA GLU 92 HA GLU 92 -8.979 14.341 12.000 633 HB2 GLU 92 HB2 GLU 92 -10.859 12.684 11.863 634 HB3 GLU 92 HB1 GLU 92 -9.923 11.594 12.887 635 HG2 GLU 92 HG2 GLU 92 -9.885 13.270 14.680 636 HG3 GLU 92 HG1 GLU 92 -10.764 14.404 13.657 637 H HIS 93 HN HIS 93 -7.433 11.214 12.657 638 HA HIS 93 HA HIS 93 -6.444 11.907 15.274 639 HD1 HIS 93 HD1 HIS 93 -7.900 8.685 13.184 640 HD2 HIS 93 HD2 HIS 93 -6.604 9.469 17.067 641 HE1 HIS 93 HE1 HIS 93 -9.530 7.518 14.731 642 HB2 HIS 93 HB2 HIS 93 -5.630 9.821 13.236 643 HB3 HIS 93 HB1 HIS 93 -4.829 9.969 14.799 644 H HIS 94 HN HIS 94 -5.076 12.151 12.014 645 HA HIS 94 HA HIS 94 -2.422 12.895 12.737 646 HD1 HIS 94 HD1 HIS 94 -0.599 13.306 11.885 647 HD2 HIS 94 HD2 HIS 94 -2.283 15.126 8.534 648 HE1 HIS 94 HE1 HIS 94 1.255 14.633 10.783 649 HB2 HIS 94 HB2 HIS 94 -3.161 12.280 10.425 650 HB3 HIS 94 HB1 HIS 94 -4.010 13.823 10.320 651 H HIS 95 HN HIS 95 -5.323 14.875 12.174 652 HA HIS 95 HA HIS 95 -4.230 16.976 13.927 653 HD1 HIS 95 HD1 HIS 95 -2.161 17.847 13.708 654 HD2 HIS 95 HD2 HIS 95 -2.477 17.236 9.596 655 HE1 HIS 95 HE1 HIS 95 0.200 17.529 12.847 656 HB2 HIS 95 HB2 HIS 95 -4.837 17.494 10.998 657 HB3 HIS 95 HB1 HIS 95 -4.549 18.753 12.198 658 H HIS 96 HN HIS 96 -6.653 17.266 11.348 659 HA HIS 96 HA HIS 96 -8.902 16.845 13.192 660 HD1 HIS 96 HD1 HIS 96 -6.329 19.355 11.429 661 HD2 HIS 96 HD2 HIS 96 -10.130 21.048 11.159 662 HE1 HIS 96 HE1 HIS 96 -6.219 21.075 9.573 663 HB2 HIS 96 HB2 HIS 96 -9.787 19.097 13.067 664 HB3 HIS 96 HB1 HIS 96 -8.140 19.186 13.689 665 H HIS 97 HN HIS 97 -10.495 18.744 11.433 666 HA HIS 97 HA HIS 97 -10.404 17.431 8.786 667 HD1 HIS 97 HD1 HIS 97 -11.605 18.046 12.294 668 HD2 HIS 97 HD2 HIS 97 -15.143 16.956 10.374 669 HE1 HIS 97 HE1 HIS 97 -13.496 18.711 13.842 670 HB2 HIS 97 HB2 HIS 97 -12.774 16.713 8.925 671 HB3 HIS 97 HB1 HIS 97 -11.768 15.871 10.100 672 H HIS 98 HN HIS 98 -11.663 18.534 7.219 673 HA HIS 98 HA HIS 98 -13.267 20.868 7.897 674 HD1 HIS 98 HD1 HIS 98 -11.658 22.831 4.696 675 HD2 HIS 98 HD2 HIS 98 -12.775 23.912 8.563 676 HE1 HIS 98 HE1 HIS 98 -12.804 25.082 4.508 677 HB2 HIS 98 HB2 HIS 98 -10.934 21.738 8.195 678 HB3 HIS 98 HB1 HIS 98 -10.609 21.334 6.509 Start of MODEL 19 1 HA ALA 12 HA ALA 12 -5.562 11.797 -12.558 2 H1 ALA 12 HN ALA 12 -6.858 12.035 -14.496 3 HB1 ALA 12 HB1 ALA 12 -7.125 14.319 -11.944 4 HB2 ALA 12 HB2 ALA 12 -5.511 14.206 -12.647 5 HB3 ALA 12 HB3 ALA 12 -5.774 13.747 -10.966 6 H PHE 13 HN PHE 13 -8.617 10.914 -12.608 7 HA PHE 13 HA PHE 13 -9.503 10.863 -9.893 8 HD1 PHE 13 HD2 PHE 13 -11.945 10.756 -9.515 9 HD2 PHE 13 HD1 PHE 13 -10.741 6.888 -10.942 10 HE1 PHE 13 HE2 PHE 13 -13.400 9.680 -7.823 11 HE2 PHE 13 HE1 PHE 13 -12.198 5.809 -9.248 12 HZ PHE 13 HZ PHE 13 -13.527 7.207 -7.688 13 HB2 PHE 13 HB2 PHE 13 -10.918 10.323 -11.880 14 HB3 PHE 13 HB1 PHE 13 -10.017 8.818 -12.072 15 H PHE 14 HN PHE 14 -7.608 8.510 -11.796 16 HA PHE 14 HA PHE 14 -7.335 6.580 -9.695 17 HD1 PHE 14 HD2 PHE 14 -7.094 4.056 -10.744 18 HD2 PHE 14 HD1 PHE 14 -7.447 7.135 -13.718 19 HE1 PHE 14 HE2 PHE 14 -8.834 2.730 -11.909 20 HE2 PHE 14 HE1 PHE 14 -9.189 5.809 -14.884 21 HZ PHE 14 HZ PHE 14 -9.883 3.606 -13.979 22 HB2 PHE 14 HB2 PHE 14 -5.650 7.183 -12.133 23 HB3 PHE 14 HB1 PHE 14 -5.338 5.819 -11.060 24 H ASN 15 HN ASN 15 -5.446 9.421 -10.609 25 HA ASN 15 HA ASN 15 -3.198 8.980 -8.910 26 HB2 ASN 15 HB2 ASN 15 -3.443 10.744 -10.720 27 HB3 ASN 15 HB1 ASN 15 -4.426 11.665 -9.579 28 HD21 ASN 15 HD21 ASN 15 -2.937 13.382 -9.175 29 HD22 ASN 15 HD22 ASN 15 -1.421 13.140 -8.449 30 H GLU 16 HN GLU 16 -6.332 10.551 -8.315 31 HA GLU 16 HA GLU 16 -5.744 11.432 -5.647 32 HB2 GLU 16 HB2 GLU 16 -8.370 10.715 -6.980 33 HB3 GLU 16 HB1 GLU 16 -8.241 11.506 -5.412 34 HG2 GLU 16 HG2 GLU 16 -7.091 12.606 -7.995 35 HG3 GLU 16 HG1 GLU 16 -8.618 13.120 -7.278 36 H GLN 17 HN GLN 17 -7.148 8.430 -6.935 37 HA GLN 17 HA GLN 17 -7.799 7.251 -4.406 38 HB2 GLN 17 HB2 GLN 17 -7.061 5.956 -7.046 39 HB3 GLN 17 HB1 GLN 17 -7.789 5.112 -5.680 40 HG2 GLN 17 HG2 GLN 17 -9.040 7.486 -7.089 41 HG3 GLN 17 HG1 GLN 17 -9.464 5.804 -7.400 42 HE21 GLN 17 HE21 GLN 17 -10.704 8.361 -5.843 43 HE22 GLN 17 HE22 GLN 17 -11.402 7.609 -4.490 44 H LYS 18 HN LYS 18 -4.875 7.078 -6.428 45 HA LYS 18 HA LYS 18 -3.456 5.215 -4.782 46 HB2 LYS 18 HB2 LYS 18 -2.506 7.366 -6.678 47 HB3 LYS 18 HB1 LYS 18 -1.419 6.212 -5.906 48 HG2 LYS 18 HG2 LYS 18 -2.812 4.357 -6.884 49 HG3 LYS 18 HG1 LYS 18 -3.714 5.576 -7.780 50 HD2 LYS 18 HD2 LYS 18 -0.703 5.306 -7.955 51 HD3 LYS 18 HD1 LYS 18 -1.800 4.477 -9.056 52 HE2 LYS 18 HE2 LYS 18 -2.807 6.774 -9.564 53 HE3 LYS 18 HE1 LYS 18 -1.424 7.460 -8.712 54 HZ1 LYS 18 HZ1 LYS 18 -0.692 7.388 -10.877 55 HZ2 LYS 18 HZ2 LYS 18 -1.477 5.921 -11.219 56 HZ3 LYS 18 HZ3 LYS 18 -0.073 5.932 -10.263 57 H GLU 19 HN GLU 19 -3.629 8.761 -4.768 58 HA GLU 19 HA GLU 19 -1.622 9.253 -2.819 59 HB2 GLU 19 HB2 GLU 19 -2.738 11.006 -4.197 60 HB3 GLU 19 HB1 GLU 19 -4.209 10.774 -3.253 61 HG2 GLU 19 HG2 GLU 19 -3.042 11.434 -1.207 62 HG3 GLU 19 HG1 GLU 19 -1.530 11.603 -2.101 63 H LYS 20 HN LYS 20 -5.111 8.641 -2.431 64 HA LYS 20 HA LYS 20 -5.156 8.923 0.418 65 HB2 LYS 20 HB2 LYS 20 -6.920 7.342 -1.468 66 HB3 LYS 20 HB1 LYS 20 -7.276 7.580 0.242 67 HG2 LYS 20 HG2 LYS 20 -7.252 10.034 -0.105 68 HG3 LYS 20 HG1 LYS 20 -6.929 9.779 -1.819 69 HD2 LYS 20 HD2 LYS 20 -9.048 8.552 -2.052 70 HD3 LYS 20 HD1 LYS 20 -9.376 8.776 -0.334 71 HE2 LYS 20 HE2 LYS 20 -9.359 11.229 -0.656 72 HE3 LYS 20 HE1 LYS 20 -9.059 10.994 -2.378 73 HZ1 LYS 20 HZ1 LYS 20 -11.419 9.952 -0.909 74 HZ2 LYS 20 HZ2 LYS 20 -11.139 9.832 -2.581 75 HZ3 LYS 20 HZ3 LYS 20 -11.416 11.350 -1.870 76 H VAL 21 HN VAL 21 -4.660 6.093 -1.682 77 HA VAL 21 HA VAL 21 -4.561 4.153 0.425 78 HB VAL 21 HB VAL 21 -3.269 4.157 -2.315 79 HG11 VAL 21 HG11 VAL 21 -3.309 1.627 -1.911 80 HG12 VAL 21 HG12 VAL 21 -3.559 2.008 -0.207 81 HG13 VAL 21 HG13 VAL 21 -2.089 2.540 -1.023 82 HG21 VAL 21 HG21 VAL 21 -5.809 4.288 -2.125 83 HG22 VAL 21 HG22 VAL 21 -5.746 2.700 -1.357 84 HG23 VAL 21 HG23 VAL 21 -5.183 2.902 -3.016 85 H THR 22 HN THR 22 -2.015 6.069 -1.165 86 HA THR 22 HA THR 22 0.218 4.901 0.154 87 HB THR 22 HB THR 22 -0.063 7.829 -0.565 88 HG1 THR 22 HG1 THR 22 0.212 5.534 -2.155 89 HG21 THR 22 HG21 THR 22 1.992 7.320 0.589 90 HG22 THR 22 HG22 THR 22 2.370 7.518 -1.122 91 HG23 THR 22 HG23 THR 22 2.268 5.902 -0.424 92 H LEU 23 HN LEU 23 -1.835 7.667 1.059 93 HA LEU 23 HA LEU 23 -0.457 8.285 3.483 94 HG LEU 23 HG LEU 23 -2.949 8.968 5.185 95 HB2 LEU 23 HB2 LEU 23 -2.069 9.817 2.404 96 HB3 LEU 23 HB1 LEU 23 -3.376 8.695 2.774 97 HD11 LEU 23 HD11 LEU 23 -0.638 10.602 4.165 98 HD12 LEU 23 HD12 LEU 23 -0.689 9.440 5.492 99 HD13 LEU 23 HD13 LEU 23 -1.385 11.044 5.701 100 HD21 LEU 23 HD21 LEU 23 -4.589 10.462 4.345 101 HD22 LEU 23 HD22 LEU 23 -3.388 11.453 3.518 102 HD23 LEU 23 HD23 LEU 23 -3.502 11.490 5.277 103 H TYR 24 HN TYR 24 -3.211 6.142 2.794 104 HA TYR 24 HA TYR 24 -3.823 5.409 5.466 105 HD1 TYR 24 HD2 TYR 24 -6.071 4.195 6.003 106 HD2 TYR 24 HD1 TYR 24 -3.793 1.533 3.517 107 HE1 TYR 24 HE2 TYR 24 -6.804 2.274 7.388 108 HE2 TYR 24 HE1 TYR 24 -4.526 -0.389 4.904 109 HH TYR 24 HH TYR 24 -6.762 -0.752 6.507 110 HB2 TYR 24 HB2 TYR 24 -5.280 4.797 3.612 111 HB3 TYR 24 HB1 TYR 24 -4.009 3.800 2.904 112 H LEU 25 HN LEU 25 -1.579 3.936 3.138 113 HA LEU 25 HA LEU 25 -0.624 1.946 5.021 114 HG LEU 25 HG LEU 25 -1.777 1.836 2.354 115 HB2 LEU 25 HB2 LEU 25 0.484 2.936 2.392 116 HB3 LEU 25 HB1 LEU 25 1.100 1.540 3.271 117 HD11 LEU 25 HD11 LEU 25 -1.188 0.233 0.573 118 HD12 LEU 25 HD12 LEU 25 0.496 0.267 1.097 119 HD13 LEU 25 HD13 LEU 25 -0.250 1.719 0.427 120 HD21 LEU 25 HD21 LEU 25 -0.208 -0.335 3.741 121 HD22 LEU 25 HD22 LEU 25 -1.537 -0.783 2.675 122 HD23 LEU 25 HD23 LEU 25 -1.840 0.242 4.071 123 H LYS 26 HN LYS 26 0.175 5.235 4.292 124 HA LYS 26 HA LYS 26 2.887 5.284 5.192 125 HB2 LYS 26 HB2 LYS 26 1.754 7.112 3.929 126 HB3 LYS 26 HB1 LYS 26 0.820 7.485 5.377 127 HG2 LYS 26 HG2 LYS 26 2.865 7.971 6.621 128 HG3 LYS 26 HG1 LYS 26 3.848 7.513 5.229 129 HD2 LYS 26 HD2 LYS 26 2.809 9.333 3.908 130 HD3 LYS 26 HD1 LYS 26 1.862 9.805 5.320 131 HE2 LYS 26 HE2 LYS 26 4.891 9.762 5.173 132 HE3 LYS 26 HE1 LYS 26 3.884 11.209 5.099 133 HZ1 LYS 26 HZ1 LYS 26 2.943 10.171 7.313 134 HZ2 LYS 26 HZ2 LYS 26 4.321 11.166 7.309 135 HZ3 LYS 26 HZ3 LYS 26 4.491 9.476 7.373 136 H HIS 27 HN HIS 27 -0.149 5.998 6.971 137 HA HIS 27 HA HIS 27 1.325 6.298 9.488 138 HD1 HIS 27 HD1 HIS 27 -2.124 4.493 10.664 139 HD2 HIS 27 HD2 HIS 27 -2.778 6.620 7.141 140 HE1 HIS 27 HE1 HIS 27 -4.198 3.498 9.604 141 HB2 HIS 27 HB2 HIS 27 -0.805 6.819 10.457 142 HB3 HIS 27 HB1 HIS 27 -0.798 7.557 8.857 143 H ASN 28 HN ASN 28 -0.665 3.822 7.931 144 HA ASN 28 HA ASN 28 -0.912 2.093 10.198 145 HB2 ASN 28 HB2 ASN 28 -1.074 1.722 7.225 146 HB3 ASN 28 HB1 ASN 28 -1.112 0.312 8.269 147 HD21 ASN 28 HD21 ASN 28 -3.137 2.430 6.713 148 HD22 ASN 28 HD22 ASN 28 -4.482 2.346 7.743 149 H ILE 29 HN ILE 29 1.546 2.315 7.640 150 HA ILE 29 HA ILE 29 3.276 0.463 9.247 151 HB ILE 29 HB ILE 29 3.217 0.811 6.241 152 HG12 ILE 29 HG12 ILE 29 2.369 -1.563 7.924 153 HG13 ILE 29 HG11 ILE 29 1.229 -0.367 7.311 154 HG21 ILE 29 HG21 ILE 29 4.790 -0.964 8.128 155 HG22 ILE 29 HG22 ILE 29 5.437 0.226 6.999 156 HG23 ILE 29 HG23 ILE 29 4.689 -1.252 6.391 157 HD11 ILE 29 HD11 ILE 29 1.686 -0.933 5.050 158 HD12 ILE 29 HD12 ILE 29 1.554 -2.478 5.890 159 HD13 ILE 29 HD13 ILE 29 3.142 -1.826 5.486 160 HA PRO 30 HA PRO 30 5.298 4.656 9.288 161 HB2 PRO 30 HB2 PRO 30 6.780 3.214 11.456 162 HB3 PRO 30 HB1 PRO 30 6.066 4.838 11.469 163 HG2 PRO 30 HG2 PRO 30 4.924 2.799 12.761 164 HG3 PRO 30 HG1 PRO 30 3.954 4.048 11.959 165 HD2 PRO 30 HD2 PRO 30 4.495 1.235 11.087 166 HD3 PRO 30 HD1 PRO 30 3.041 2.231 10.845 167 H ASP 31 HN ASP 31 6.636 1.398 9.217 168 HA ASP 31 HA ASP 31 9.288 2.282 8.355 169 HB2 ASP 31 HB2 ASP 31 7.954 -0.437 8.476 170 HB3 ASP 31 HB1 ASP 31 9.620 -0.193 7.953 171 H PHE 32 HN PHE 32 6.418 2.425 6.877 172 HA PHE 32 HA PHE 32 6.662 1.135 4.393 173 HD1 PHE 32 HD1 PHE 32 4.821 1.071 2.601 174 HD2 PHE 32 HD2 PHE 32 5.385 5.264 3.347 175 HE1 PHE 32 HE1 PHE 32 4.448 1.551 0.199 176 HE2 PHE 32 HE2 PHE 32 5.009 5.742 0.943 177 HZ PHE 32 HZ PHE 32 4.545 3.883 -0.628 178 HB2 PHE 32 HB2 PHE 32 4.588 2.198 4.964 179 HB3 PHE 32 HB1 PHE 32 5.367 3.765 5.154 180 H ASN 33 HN ASN 33 7.922 1.468 2.639 181 HA ASN 33 HA ASN 33 9.787 3.805 2.639 182 HB2 ASN 33 HB2 ASN 33 10.793 1.548 2.502 183 HB3 ASN 33 HB1 ASN 33 9.832 1.216 1.061 184 HD21 ASN 33 HD21 ASN 33 12.611 1.101 0.806 185 HD22 ASN 33 HD22 ASN 33 13.162 2.432 -0.092 186 H THR 34 HN THR 34 8.168 1.808 0.139 187 HA THR 34 HA THR 34 7.013 4.250 -1.061 188 HB THR 34 HB THR 34 9.176 4.198 -2.146 189 HG1 THR 34 HG1 THR 34 7.568 4.656 -3.573 190 HG21 THR 34 HG21 THR 34 8.538 1.302 -2.773 191 HG22 THR 34 HG22 THR 34 9.757 1.864 -1.628 192 HG23 THR 34 HG23 THR 34 9.950 2.188 -3.351 193 H VAL 35 HN VAL 35 5.551 3.669 -2.909 194 HA VAL 35 HA VAL 35 4.492 0.873 -2.682 195 HB VAL 35 HB VAL 35 2.981 2.335 -1.456 196 HG11 VAL 35 HG11 VAL 35 3.817 4.421 -2.763 197 HG12 VAL 35 HG12 VAL 35 2.124 4.372 -2.291 198 HG13 VAL 35 HG13 VAL 35 2.586 3.994 -3.949 199 HG21 VAL 35 HG21 VAL 35 2.102 0.579 -3.132 200 HG22 VAL 35 HG22 VAL 35 1.718 1.948 -4.175 201 HG23 VAL 35 HG23 VAL 35 0.961 1.809 -2.588 202 H THR 36 HN THR 36 4.084 -0.100 -4.627 203 HA THR 36 HA THR 36 4.186 1.612 -7.092 204 HB THR 36 HB THR 36 5.403 -1.135 -6.680 205 HG1 THR 36 HG1 THR 36 6.633 1.353 -7.240 206 HG21 THR 36 HG21 THR 36 4.665 -1.034 -8.932 207 HG22 THR 36 HG22 THR 36 6.366 -0.575 -8.993 208 HG23 THR 36 HG23 THR 36 5.116 0.665 -9.087 209 H PHE 37 HN PHE 37 2.353 1.425 -8.247 210 HA PHE 37 HA PHE 37 0.530 -0.860 -7.717 211 HD1 PHE 37 HD1 PHE 37 -1.675 -0.005 -6.502 212 HD2 PHE 37 HD2 PHE 37 0.667 3.377 -7.741 213 HE1 PHE 37 HE1 PHE 37 -2.107 1.092 -4.321 214 HE2 PHE 37 HE2 PHE 37 0.235 4.475 -5.558 215 HZ PHE 37 HZ PHE 37 -1.152 3.331 -3.848 216 HB2 PHE 37 HB2 PHE 37 0.109 1.683 -9.311 217 HB3 PHE 37 HB1 PHE 37 -1.128 0.480 -8.944 218 H THR 38 HN THR 38 -0.103 -2.305 -9.356 219 HA THR 38 HA THR 38 1.046 -1.888 -12.077 220 HB THR 38 HB THR 38 2.774 -3.283 -11.439 221 HG1 THR 38 HG1 THR 38 1.550 -4.486 -12.922 222 HG21 THR 38 HG21 THR 38 2.510 -5.027 -9.637 223 HG22 THR 38 HG22 THR 38 0.869 -4.429 -9.387 224 HG23 THR 38 HG23 THR 38 2.248 -3.371 -9.091 225 H ASN 39 HN ASN 39 -1.632 -2.086 -10.536 226 HA ASN 39 HA ASN 39 -2.997 -3.581 -12.666 227 HB2 ASN 39 HB2 ASN 39 -2.387 -5.244 -10.772 228 HB3 ASN 39 HB1 ASN 39 -3.595 -4.385 -9.816 229 HD21 ASN 39 HD21 ASN 39 -4.385 -6.901 -10.169 230 HD22 ASN 39 HD22 ASN 39 -5.514 -7.076 -11.424 231 H GLU 40 HN GLU 40 -4.550 -2.166 -13.239 232 HA GLU 40 HA GLU 40 -6.196 -0.877 -11.106 233 HB2 GLU 40 HB2 GLU 40 -4.882 0.510 -13.465 234 HB3 GLU 40 HB1 GLU 40 -6.160 1.236 -12.488 235 HG2 GLU 40 HG2 GLU 40 -4.770 0.997 -10.474 236 HG3 GLU 40 HG1 GLU 40 -3.498 0.242 -11.432 237 H GLU 41 HN GLU 41 -7.882 -2.351 -11.636 238 HA GLU 41 HA GLU 41 -9.015 -2.020 -14.406 239 HB2 GLU 41 HB2 GLU 41 -8.241 -4.330 -13.950 240 HB3 GLU 41 HB1 GLU 41 -9.306 -4.397 -12.545 241 HG2 GLU 41 HG2 GLU 41 -11.270 -4.062 -13.970 242 HG3 GLU 41 HG1 GLU 41 -10.239 -3.876 -15.388 243 H PHE 42 HN PHE 42 -11.221 -1.706 -14.597 244 HA PHE 42 HA PHE 42 -12.553 -0.713 -12.135 245 HD1 PHE 42 HD2 PHE 42 -11.273 -0.172 -15.992 246 HD2 PHE 42 HD1 PHE 42 -15.402 -1.091 -15.241 247 HE1 PHE 42 HE2 PHE 42 -11.498 -1.044 -18.302 248 HE2 PHE 42 HE1 PHE 42 -15.626 -1.963 -17.553 249 HZ PHE 42 HZ PHE 42 -13.676 -1.938 -19.083 250 HB2 PHE 42 HB2 PHE 42 -14.148 0.318 -13.717 251 HB3 PHE 42 HB1 PHE 42 -12.488 0.793 -14.067 252 H ASN 43 HN ASN 43 -13.955 -2.060 -11.124 253 HA ASN 43 HA ASN 43 -15.118 -4.325 -12.668 254 HB2 ASN 43 HB2 ASN 43 -14.585 -3.837 -9.745 255 HB3 ASN 43 HB1 ASN 43 -15.743 -5.071 -10.246 256 HD21 ASN 43 HD21 ASN 43 -13.067 -5.475 -8.956 257 HD22 ASN 43 HD22 ASN 43 -12.185 -6.447 -10.032 258 HA PRO 44 HA PRO 44 -19.233 -2.598 -12.724 259 HB2 PRO 44 HB2 PRO 44 -20.143 -5.086 -11.306 260 HB3 PRO 44 HB1 PRO 44 -20.771 -4.345 -12.790 261 HG2 PRO 44 HG2 PRO 44 -19.244 -6.535 -12.856 262 HG3 PRO 44 HG1 PRO 44 -19.134 -5.287 -14.111 263 HD2 PRO 44 HD2 PRO 44 -17.218 -5.909 -11.905 264 HD3 PRO 44 HD1 PRO 44 -16.919 -5.208 -13.514 265 H ILE 45 HN ILE 45 -18.334 -4.257 -9.706 266 HA ILE 45 HA ILE 45 -20.159 -2.809 -8.019 267 HB ILE 45 HB ILE 45 -17.572 -4.276 -7.425 268 HG12 ILE 45 HG12 ILE 45 -20.431 -5.059 -6.801 269 HG13 ILE 45 HG11 ILE 45 -19.616 -5.539 -8.290 270 HG21 ILE 45 HG21 ILE 45 -18.539 -4.259 -5.040 271 HG22 ILE 45 HG22 ILE 45 -19.570 -2.939 -5.591 272 HG23 ILE 45 HG23 ILE 45 -17.816 -2.756 -5.614 273 HD11 ILE 45 HD11 ILE 45 -18.543 -6.108 -5.511 274 HD12 ILE 45 HD12 ILE 45 -17.894 -6.707 -7.038 275 HD13 ILE 45 HD13 ILE 45 -19.468 -7.265 -6.469 276 H GLY 46 HN GLY 46 -16.764 -2.313 -8.942 277 HA2 GLY 46 HA2 GLY 46 -16.918 0.524 -8.674 278 HA3 GLY 46 HA1 GLY 46 -16.212 -0.152 -7.208 279 H ILE 47 HN ILE 47 -14.031 0.026 -7.290 280 HA ILE 47 HA ILE 47 -12.652 -0.732 -9.841 281 HB ILE 47 HB ILE 47 -10.968 1.007 -9.348 282 HG12 ILE 47 HG12 ILE 47 -12.903 1.844 -7.161 283 HG13 ILE 47 HG11 ILE 47 -11.347 1.065 -6.874 284 HG21 ILE 47 HG21 ILE 47 -12.319 2.885 -10.042 285 HG22 ILE 47 HG22 ILE 47 -13.773 2.148 -9.368 286 HG23 ILE 47 HG23 ILE 47 -12.997 1.435 -10.782 287 HD11 ILE 47 HD11 ILE 47 -11.886 3.804 -8.007 288 HD12 ILE 47 HD12 ILE 47 -10.341 2.996 -8.275 289 HD13 ILE 47 HD13 ILE 47 -10.872 3.363 -6.634 290 H SER 48 HN SER 48 -10.623 -1.771 -9.590 291 HA SER 48 HA SER 48 -9.996 -2.708 -6.808 292 HG SER 48 HG SER 48 -11.830 -4.045 -9.113 293 HB2 SER 48 HB2 SER 48 -9.661 -4.385 -9.299 294 HB3 SER 48 HB1 SER 48 -9.583 -4.908 -7.620 295 H ILE 49 HN ILE 49 -7.988 -2.102 -6.253 296 HA ILE 49 HA ILE 49 -5.927 -1.760 -8.411 297 HB ILE 49 HB ILE 49 -6.329 -0.139 -5.881 298 HG12 ILE 49 HG12 ILE 49 -6.375 0.712 -8.789 299 HG13 ILE 49 HG11 ILE 49 -7.829 0.314 -7.873 300 HG21 ILE 49 HG21 ILE 49 -4.402 1.203 -6.957 301 HG22 ILE 49 HG22 ILE 49 -4.106 -0.238 -7.929 302 HG23 ILE 49 HG23 ILE 49 -3.978 -0.317 -6.171 303 HD11 ILE 49 HD11 ILE 49 -5.824 2.470 -7.147 304 HD12 ILE 49 HD12 ILE 49 -7.276 2.069 -6.230 305 HD13 ILE 49 HD13 ILE 49 -7.417 2.744 -7.854 306 H ASP 50 HN ASP 50 -4.107 -2.936 -8.118 307 HA ASP 50 HA ASP 50 -3.530 -4.011 -5.383 308 HB2 ASP 50 HB2 ASP 50 -4.551 -5.706 -7.030 309 HB3 ASP 50 HB1 ASP 50 -3.034 -5.577 -7.919 310 H GLY 51 HN GLY 51 -1.306 -4.267 -4.903 311 HA2 GLY 51 HA2 GLY 51 0.779 -3.809 -6.832 312 HA3 GLY 51 HA1 GLY 51 0.450 -2.324 -5.939 313 H TYR 52 HN TYR 52 2.790 -2.786 -5.228 314 HA TYR 52 HA TYR 52 2.659 -4.279 -2.662 315 HD1 TYR 52 HD2 TYR 52 6.354 -3.368 -4.248 316 HD2 TYR 52 HD1 TYR 52 3.616 -5.853 -6.436 317 HE1 TYR 52 HE2 TYR 52 7.491 -2.763 -6.370 318 HE2 TYR 52 HE1 TYR 52 4.757 -5.251 -8.551 319 HH TYR 52 HH TYR 52 7.596 -3.092 -8.560 320 HB2 TYR 52 HB2 TYR 52 4.959 -5.222 -3.155 321 HB3 TYR 52 HB1 TYR 52 3.640 -5.940 -4.075 322 H ILE 53 HN ILE 53 4.536 -3.803 -1.258 323 HA ILE 53 HA ILE 53 5.566 -1.018 -1.754 324 HB ILE 53 HB ILE 53 5.467 -0.683 0.683 325 HG12 ILE 53 HG12 ILE 53 4.029 -3.355 0.765 326 HG13 ILE 53 HG11 ILE 53 5.700 -3.136 1.273 327 HG21 ILE 53 HG21 ILE 53 3.129 -0.315 0.802 328 HG22 ILE 53 HG22 ILE 53 2.772 -1.702 -0.226 329 HG23 ILE 53 HG23 ILE 53 3.488 -0.253 -0.922 330 HD11 ILE 53 HD11 ILE 53 3.211 -1.969 2.507 331 HD12 ILE 53 HD12 ILE 53 4.804 -1.285 2.827 332 HD13 ILE 53 HD13 ILE 53 4.457 -2.953 3.276 333 H ASN 54 HN ASN 54 7.636 -0.536 -0.743 334 HA ASN 54 HA ASN 54 9.896 -1.004 -0.385 335 HB2 ASN 54 HB2 ASN 54 8.906 -3.598 0.833 336 HB3 ASN 54 HB1 ASN 54 10.409 -2.746 1.194 337 HD21 ASN 54 HD21 ASN 54 9.831 -2.435 3.471 338 HD22 ASN 54 HD22 ASN 54 8.612 -1.347 3.930 339 H ASN 55 HN ASN 55 8.648 -1.841 -2.887 340 HA ASN 55 HA ASN 55 9.060 -3.216 -4.739 341 HB2 ASN 55 HB2 ASN 55 11.789 -2.947 -3.469 342 HB3 ASN 55 HB1 ASN 55 11.534 -3.707 -5.042 343 HD21 ASN 55 HD21 ASN 55 13.052 -1.284 -4.826 344 HD22 ASN 55 HD22 ASN 55 12.173 -0.033 -5.565 345 H ASP 56 HN ASP 56 8.158 -4.618 -2.327 346 HA ASP 56 HA ASP 56 9.536 -7.263 -2.666 347 HB2 ASP 56 HB2 ASP 56 7.908 -6.099 -0.402 348 HB3 ASP 56 HB1 ASP 56 8.318 -7.813 -0.501 349 H LYS 57 HN LYS 57 8.470 -8.373 -4.204 350 HA LYS 57 HA LYS 57 5.765 -8.045 -4.991 351 HB2 LYS 57 HB2 LYS 57 7.543 -10.496 -5.157 352 HB3 LYS 57 HB1 LYS 57 6.080 -10.241 -6.104 353 HG2 LYS 57 HG2 LYS 57 8.385 -8.285 -6.175 354 HG3 LYS 57 HG1 LYS 57 8.325 -9.684 -7.243 355 HD2 LYS 57 HD2 LYS 57 6.110 -8.905 -8.083 356 HD3 LYS 57 HD1 LYS 57 6.259 -7.467 -7.081 357 HE2 LYS 57 HE2 LYS 57 8.330 -6.845 -8.251 358 HE3 LYS 57 HE1 LYS 57 8.182 -8.280 -9.267 359 HZ1 LYS 57 HZ1 LYS 57 5.748 -7.126 -9.477 360 HZ2 LYS 57 HZ2 LYS 57 7.006 -6.967 -10.608 361 HZ3 LYS 57 HZ3 LYS 57 6.776 -5.778 -9.415 362 H ASN 58 HN ASN 58 7.218 -10.099 -2.521 363 HA ASN 58 HA ASN 58 4.920 -11.706 -1.979 364 HB2 ASN 58 HB2 ASN 58 7.210 -10.785 -0.223 365 HB3 ASN 58 HB1 ASN 58 5.987 -11.934 0.315 366 HD21 ASN 58 HD21 ASN 58 5.842 -13.104 -2.521 367 HD22 ASN 58 HD22 ASN 58 7.235 -14.063 -2.649 368 H LEU 59 HN LEU 59 5.942 -8.519 -0.778 369 HA LEU 59 HA LEU 59 3.625 -8.338 1.024 370 HG LEU 59 HG LEU 59 6.735 -8.160 1.215 371 HB2 LEU 59 HB2 LEU 59 5.621 -6.209 0.208 372 HB3 LEU 59 HB1 LEU 59 4.508 -6.132 1.574 373 HD11 LEU 59 HD11 LEU 59 7.933 -6.982 2.884 374 HD12 LEU 59 HD12 LEU 59 6.518 -6.040 3.353 375 HD13 LEU 59 HD13 LEU 59 7.318 -5.722 1.817 376 HD21 LEU 59 HD21 LEU 59 4.526 -7.854 3.247 377 HD22 LEU 59 HD22 LEU 59 6.074 -8.541 3.742 378 HD23 LEU 59 HD23 LEU 59 5.133 -9.321 2.475 379 H SER 60 HN SER 60 2.052 -8.696 -0.740 380 HA SER 60 HA SER 60 1.605 -6.286 -2.449 381 HG SER 60 HG SER 60 0.189 -7.014 -4.514 382 HB2 SER 60 HB2 SER 60 1.755 -8.327 -3.734 383 HB3 SER 60 HB1 SER 60 0.596 -9.127 -2.678 384 H PHE 61 HN PHE 61 -0.690 -5.626 -2.714 385 HA PHE 61 HA PHE 61 -2.549 -6.477 -0.595 386 HD1 PHE 61 HD2 PHE 61 -3.510 -2.545 -1.371 387 HD2 PHE 61 HD1 PHE 61 0.596 -3.677 -0.812 388 HE1 PHE 61 HE2 PHE 61 -2.784 -0.540 -2.636 389 HE2 PHE 61 HE1 PHE 61 1.322 -1.670 -2.075 390 HZ PHE 61 HZ PHE 61 -0.368 -0.100 -2.985 391 HB2 PHE 61 HB2 PHE 61 -2.857 -4.227 0.306 392 HB3 PHE 61 HB1 PHE 61 -1.177 -4.712 0.488 393 H THR 62 HN THR 62 -4.706 -5.562 -0.940 394 HA THR 62 HA THR 62 -5.138 -4.484 -3.703 395 HB THR 62 HB THR 62 -6.816 -6.574 -2.284 396 HG1 THR 62 HG1 THR 62 -5.023 -7.572 -3.025 397 HG21 THR 62 HG21 THR 62 -8.265 -5.313 -3.668 398 HG22 THR 62 HG22 THR 62 -7.817 -6.706 -4.653 399 HG23 THR 62 HG23 THR 62 -7.047 -5.145 -4.934 400 H ALA 63 HN ALA 63 -6.500 -2.733 -3.744 401 HA ALA 63 HA ALA 63 -8.154 -2.165 -1.308 402 HB1 ALA 63 HB1 ALA 63 -6.600 -0.126 -2.924 403 HB2 ALA 63 HB2 ALA 63 -6.075 -0.766 -1.367 404 HB3 ALA 63 HB3 ALA 63 -7.556 0.186 -1.474 405 H GLY 64 HN GLY 64 -10.178 -1.321 -1.734 406 HA2 GLY 64 HA2 GLY 64 -10.907 -0.922 -4.618 407 HA3 GLY 64 HA1 GLY 64 -11.944 -1.803 -3.499 408 H LYS 65 HN LYS 65 -11.703 1.050 -4.993 409 HA LYS 65 HA LYS 65 -12.578 3.181 -4.626 410 HB2 LYS 65 HB2 LYS 65 -14.254 1.558 -2.694 411 HB3 LYS 65 HB1 LYS 65 -14.586 3.238 -3.123 412 HG2 LYS 65 HG2 LYS 65 -14.780 2.623 -5.489 413 HG3 LYS 65 HG1 LYS 65 -14.379 0.953 -5.105 414 HD2 LYS 65 HD2 LYS 65 -16.736 0.938 -5.237 415 HD3 LYS 65 HD1 LYS 65 -16.416 1.024 -3.510 416 HE2 LYS 65 HE2 LYS 65 -16.884 3.376 -3.455 417 HE3 LYS 65 HE1 LYS 65 -16.900 3.482 -5.215 418 HZ1 LYS 65 HZ1 LYS 65 -18.869 2.168 -3.445 419 HZ2 LYS 65 HZ2 LYS 65 -18.786 1.827 -5.106 420 HZ3 LYS 65 HZ3 LYS 65 -19.132 3.403 -4.576 421 H ASP 66 HN ASP 66 -10.774 4.218 -3.774 422 HA ASP 66 HA ASP 66 -9.464 5.299 -2.164 423 HB2 ASP 66 HB2 ASP 66 -12.188 5.238 -0.844 424 HB3 ASP 66 HB1 ASP 66 -10.806 6.051 -0.109 425 H VAL 67 HN VAL 67 -11.220 4.187 0.554 426 HA VAL 67 HA VAL 67 -9.292 1.957 1.035 427 HB VAL 67 HB VAL 67 -10.001 3.917 3.221 428 HG11 VAL 67 HG11 VAL 67 -8.958 1.805 3.883 429 HG12 VAL 67 HG12 VAL 67 -7.813 3.125 4.109 430 HG13 VAL 67 HG13 VAL 67 -7.658 2.053 2.716 431 HG21 VAL 67 HG21 VAL 67 -7.884 4.193 1.077 432 HG22 VAL 67 HG22 VAL 67 -7.713 4.963 2.655 433 HG23 VAL 67 HG23 VAL 67 -9.067 5.390 1.609 434 H LYS 68 HN LYS 68 -12.290 2.469 0.435 435 HA LYS 68 HA LYS 68 -13.790 1.727 2.734 436 HB2 LYS 68 HB2 LYS 68 -14.783 2.576 0.598 437 HB3 LYS 68 HB1 LYS 68 -14.374 1.042 -0.160 438 HG2 LYS 68 HG2 LYS 68 -16.697 0.950 0.498 439 HG3 LYS 68 HG1 LYS 68 -15.796 -0.124 1.560 440 HD2 LYS 68 HD2 LYS 68 -15.923 1.378 3.386 441 HD3 LYS 68 HD1 LYS 68 -16.335 2.741 2.345 442 HE2 LYS 68 HE2 LYS 68 -18.104 0.321 2.798 443 HE3 LYS 68 HE1 LYS 68 -18.290 1.867 3.628 444 HZ1 LYS 68 HZ1 LYS 68 -19.220 1.134 1.089 445 HZ2 LYS 68 HZ2 LYS 68 -18.077 2.376 0.894 446 HZ3 LYS 68 HZ3 LYS 68 -19.427 2.609 1.901 447 H ILE 69 HN ILE 69 -12.312 -0.235 0.159 448 HA ILE 69 HA ILE 69 -12.626 -2.647 1.928 449 HB ILE 69 HB ILE 69 -12.711 -2.456 -1.098 450 HG12 ILE 69 HG12 ILE 69 -14.797 -3.415 0.885 451 HG13 ILE 69 HG11 ILE 69 -14.769 -1.786 0.209 452 HG21 ILE 69 HG21 ILE 69 -12.683 -4.823 0.793 453 HG22 ILE 69 HG22 ILE 69 -11.549 -4.481 -0.515 454 HG23 ILE 69 HG23 ILE 69 -13.212 -4.938 -0.885 455 HD11 ILE 69 HD11 ILE 69 -16.292 -3.154 -1.105 456 HD12 ILE 69 HD12 ILE 69 -15.044 -4.378 -1.340 457 HD13 ILE 69 HD13 ILE 69 -14.870 -2.787 -2.083 458 H PHE 70 HN PHE 70 -10.712 -3.498 2.549 459 HA PHE 70 HA PHE 70 -8.332 -3.153 0.781 460 HD1 PHE 70 HD1 PHE 70 -6.352 -1.084 1.070 461 HD2 PHE 70 HD2 PHE 70 -6.382 -4.044 4.183 462 HE1 PHE 70 HE1 PHE 70 -3.895 -1.331 0.857 463 HE2 PHE 70 HE2 PHE 70 -3.922 -4.289 3.970 464 HZ PHE 70 HZ PHE 70 -2.680 -2.933 2.308 465 HB2 PHE 70 HB2 PHE 70 -8.303 -1.376 2.545 466 HB3 PHE 70 HB1 PHE 70 -8.327 -2.646 3.770 467 H SER 71 HN SER 71 -7.200 -5.027 0.596 468 HA SER 71 HA SER 71 -7.469 -7.088 2.740 469 HG SER 71 HG SER 71 -6.604 -8.358 -0.333 470 HB2 SER 71 HB2 SER 71 -8.136 -8.779 1.258 471 HB3 SER 71 HB1 SER 71 -9.072 -7.399 0.691 472 H SER 72 HN SER 72 -5.594 -8.327 3.001 473 HA SER 72 HA SER 72 -3.435 -8.137 1.008 474 HG SER 72 HG SER 72 -2.588 -7.048 4.690 475 HB2 SER 72 HB2 SER 72 -1.815 -7.356 2.795 476 HB3 SER 72 HB1 SER 72 -2.944 -6.131 2.221 477 H SER 73 HN SER 73 -1.480 -9.415 1.828 478 HA SER 73 HA SER 73 -2.420 -12.001 2.764 479 HG SER 73 HG SER 73 1.091 -10.474 1.980 480 HB2 SER 73 HB2 SER 73 -0.287 -12.783 2.177 481 HB3 SER 73 HB1 SER 73 -0.528 -11.437 1.066 482 H GLU 74 HN GLU 74 -1.061 -13.152 4.505 483 HA GLU 74 HA GLU 74 -1.371 -11.790 7.018 484 HB2 GLU 74 HB2 GLU 74 0.149 -14.310 6.279 485 HB3 GLU 74 HB1 GLU 74 -0.193 -13.796 7.931 486 HG2 GLU 74 HG2 GLU 74 -2.307 -14.344 5.827 487 HG3 GLU 74 HG1 GLU 74 -1.834 -15.479 7.092 488 H GLU 75 HN GLU 75 1.398 -12.368 4.890 489 HA GLU 75 HA GLU 75 3.484 -11.607 6.652 490 HB2 GLU 75 HB2 GLU 75 3.221 -11.200 3.653 491 HB3 GLU 75 HB1 GLU 75 4.719 -11.004 4.557 492 HG2 GLU 75 HG2 GLU 75 4.909 -13.207 3.799 493 HG3 GLU 75 HG1 GLU 75 4.228 -13.448 5.406 494 H LEU 76 HN LEU 76 1.835 -9.572 4.207 495 HA LEU 76 HA LEU 76 2.994 -7.123 5.069 496 HG LEU 76 HG LEU 76 0.476 -5.340 4.690 497 HB2 LEU 76 HB2 LEU 76 1.848 -7.378 2.902 498 HB3 LEU 76 HB1 LEU 76 0.314 -7.607 3.737 499 HD11 LEU 76 HD11 LEU 76 3.161 -5.408 3.341 500 HD12 LEU 76 HD12 LEU 76 2.729 -4.825 4.946 501 HD13 LEU 76 HD13 LEU 76 2.323 -3.869 3.530 502 HD21 LEU 76 HD21 LEU 76 -0.738 -5.319 2.689 503 HD22 LEU 76 HD22 LEU 76 0.673 -5.702 1.703 504 HD23 LEU 76 HD23 LEU 76 0.486 -4.089 2.391 505 H ASP 77 HN ASP 77 0.044 -8.802 6.073 506 HA ASP 77 HA ASP 77 -1.172 -6.831 7.646 507 HB2 ASP 77 HB2 ASP 77 -1.998 -9.185 7.177 508 HB3 ASP 77 HB1 ASP 77 -0.900 -9.740 8.438 509 H LYS 78 HN LYS 78 1.582 -8.936 8.459 510 HA LYS 78 HA LYS 78 1.767 -8.268 11.219 511 HB2 LYS 78 HB2 LYS 78 3.883 -9.067 9.210 512 HB3 LYS 78 HB1 LYS 78 4.193 -8.917 10.940 513 HG2 LYS 78 HG2 LYS 78 2.417 -10.585 11.395 514 HG3 LYS 78 HG1 LYS 78 2.139 -10.748 9.661 515 HD2 LYS 78 HD2 LYS 78 4.430 -11.543 9.333 516 HD3 LYS 78 HD1 LYS 78 4.778 -11.308 11.047 517 HE2 LYS 78 HE2 LYS 78 4.278 -13.667 10.627 518 HE3 LYS 78 HE1 LYS 78 2.997 -12.953 11.608 519 HZ1 LYS 78 HZ1 LYS 78 2.951 -13.579 8.716 520 HZ2 LYS 78 HZ2 LYS 78 1.815 -12.541 9.435 521 HZ3 LYS 78 HZ3 LYS 78 1.922 -14.161 9.931 522 H MET 79 HN MET 79 2.838 -6.532 8.356 523 HA MET 79 HA MET 79 4.610 -4.694 9.653 524 HB2 MET 79 HB2 MET 79 2.886 -4.253 7.202 525 HB3 MET 79 HB1 MET 79 4.283 -3.286 7.668 526 HG2 MET 79 HG2 MET 79 4.369 -6.256 7.069 527 HG3 MET 79 HG1 MET 79 4.837 -4.993 5.934 528 HE1 MET 79 HE1 MET 79 7.936 -3.463 7.068 529 HE2 MET 79 HE2 MET 79 6.568 -2.819 7.969 530 HE3 MET 79 HE3 MET 79 6.362 -3.280 6.281 531 H PHE 80 HN PHE 80 1.090 -4.680 9.191 532 HA PHE 80 HA PHE 80 0.572 -1.995 9.876 533 HD1 PHE 80 HD1 PHE 80 -0.416 -4.616 7.712 534 HD2 PHE 80 HD2 PHE 80 -2.621 -1.405 9.522 535 HE1 PHE 80 HE1 PHE 80 -1.223 -3.908 5.476 536 HE2 PHE 80 HE2 PHE 80 -3.426 -0.698 7.287 537 HZ PHE 80 HZ PHE 80 -2.728 -1.949 5.263 538 HB2 PHE 80 HB2 PHE 80 -0.975 -4.559 10.195 539 HB3 PHE 80 HB1 PHE 80 -1.618 -3.073 10.889 540 H GLN 81 HN GLN 81 0.666 -0.858 11.739 541 HA GLN 81 HA GLN 81 1.675 -2.230 14.173 542 HB2 GLN 81 HB2 GLN 81 2.816 -0.176 13.348 543 HB3 GLN 81 HB1 GLN 81 1.313 0.721 13.573 544 HG2 GLN 81 HG2 GLN 81 1.340 0.267 15.965 545 HG3 GLN 81 HG1 GLN 81 2.762 -0.761 15.788 546 HE21 GLN 81 HE21 GLN 81 2.884 1.462 17.512 547 HE22 GLN 81 HE22 GLN 81 3.905 2.641 16.843 548 H GLU 82 HN GLU 82 -0.551 0.530 13.740 549 HA GLU 82 HA GLU 82 -2.134 -0.471 16.023 550 HB2 GLU 82 HB2 GLU 82 -3.417 1.808 15.351 551 HB3 GLU 82 HB1 GLU 82 -1.943 1.815 16.314 552 HG2 GLU 82 HG2 GLU 82 -0.589 2.345 14.434 553 HG3 GLU 82 HG1 GLU 82 -1.884 1.959 13.298 554 HA PRO 83 HA PRO 83 -5.522 -2.332 13.850 555 HB2 PRO 83 HB2 PRO 83 -7.320 -0.228 15.013 556 HB3 PRO 83 HB1 PRO 83 -7.496 -1.994 15.028 557 HG2 PRO 83 HG2 PRO 83 -6.680 -0.607 17.187 558 HG3 PRO 83 HG1 PRO 83 -6.116 -2.250 16.838 559 HD2 PRO 83 HD2 PRO 83 -4.620 0.307 16.652 560 HD3 PRO 83 HD1 PRO 83 -4.014 -1.353 16.827 561 H ARG 84 HN ARG 84 -7.005 -1.977 12.063 562 HA ARG 84 HA ARG 84 -6.140 0.065 10.238 563 HE ARG 84 HE ARG 84 -6.299 -5.171 8.298 564 HB2 ARG 84 HB2 ARG 84 -8.530 -1.794 10.214 565 HB3 ARG 84 HB1 ARG 84 -8.094 -0.742 8.865 566 HG2 ARG 84 HG2 ARG 84 -5.868 -1.811 8.751 567 HG3 ARG 84 HG1 ARG 84 -6.312 -2.868 10.091 568 HD2 ARG 84 HD2 ARG 84 -8.174 -3.782 8.747 569 HD3 ARG 84 HD1 ARG 84 -7.705 -2.746 7.400 570 HH11 ARG 84 HH21 ARG 84 -6.246 -2.224 6.503 571 HH12 ARG 84 HH22 ARG 84 -4.977 -2.739 5.445 572 HH21 ARG 84 HH11 ARG 84 -4.648 -5.857 6.925 573 HH22 ARG 84 HH12 ARG 84 -4.070 -4.797 5.686 574 H LYS 85 HN LYS 85 -7.098 2.014 9.696 575 HA LYS 85 HA LYS 85 -9.541 2.833 11.227 576 HB2 LYS 85 HB2 LYS 85 -6.976 4.384 10.802 577 HB3 LYS 85 HB1 LYS 85 -8.472 5.092 11.414 578 HG2 LYS 85 HG2 LYS 85 -8.464 3.556 13.316 579 HG3 LYS 85 HG1 LYS 85 -7.043 2.735 12.676 580 HD2 LYS 85 HD2 LYS 85 -6.174 4.213 14.311 581 HD3 LYS 85 HD1 LYS 85 -5.876 5.027 12.777 582 HE2 LYS 85 HE2 LYS 85 -7.762 6.490 13.094 583 HE3 LYS 85 HE1 LYS 85 -8.329 5.558 14.479 584 HZ1 LYS 85 HZ1 LYS 85 -6.545 6.274 15.775 585 HZ2 LYS 85 HZ2 LYS 85 -7.050 7.672 14.951 586 HZ3 LYS 85 HZ3 LYS 85 -5.665 6.833 14.437 587 H GLY 86 HN GLY 86 -10.944 4.185 10.121 588 HA2 GLY 86 HA2 GLY 86 -11.057 3.980 7.299 589 HA3 GLY 86 HA1 GLY 86 -11.981 5.134 8.259 590 H TYR 87 HN TYR 87 -10.785 5.649 5.686 591 HA TYR 87 HA TYR 87 -8.326 7.078 5.814 592 HD1 TYR 87 HD1 TYR 87 -7.033 7.533 3.670 593 HD2 TYR 87 HD2 TYR 87 -10.718 9.706 3.302 594 HE1 TYR 87 HE1 TYR 87 -5.810 9.429 2.647 595 HE2 TYR 87 HE2 TYR 87 -9.494 11.609 2.284 596 HH TYR 87 HH TYR 87 -7.516 12.416 1.698 597 HB2 TYR 87 HB2 TYR 87 -9.370 6.419 3.701 598 HB3 TYR 87 HB1 TYR 87 -10.749 7.468 4.031 599 H ASP 88 HN ASP 88 -11.695 8.202 6.157 600 HA ASP 88 HA ASP 88 -10.990 10.953 6.631 601 HB2 ASP 88 HB2 ASP 88 -13.336 11.157 7.429 602 HB3 ASP 88 HB1 ASP 88 -13.231 10.320 5.879 603 H GLU 89 HN GLU 89 -11.391 8.144 8.713 604 HA GLU 89 HA GLU 89 -11.465 9.542 11.214 605 HB2 GLU 89 HB2 GLU 89 -12.115 7.159 10.913 606 HB3 GLU 89 HB1 GLU 89 -10.419 6.758 10.640 607 HG2 GLU 89 HG2 GLU 89 -9.834 7.575 12.876 608 HG3 GLU 89 HG1 GLU 89 -11.508 8.054 13.158 609 H ILE 90 HN ILE 90 -8.740 8.156 9.355 610 HA ILE 90 HA ILE 90 -6.766 8.808 11.339 611 HB ILE 90 HB ILE 90 -5.130 8.498 9.461 612 HG12 ILE 90 HG12 ILE 90 -7.582 7.891 7.823 613 HG13 ILE 90 HG11 ILE 90 -6.718 9.412 7.702 614 HG21 ILE 90 HG21 ILE 90 -6.093 6.604 10.820 615 HG22 ILE 90 HG22 ILE 90 -5.578 6.138 9.200 616 HG23 ILE 90 HG23 ILE 90 -7.289 6.377 9.544 617 HD11 ILE 90 HD11 ILE 90 -4.627 8.069 7.219 618 HD12 ILE 90 HD12 ILE 90 -5.866 8.001 5.965 619 HD13 ILE 90 HD13 ILE 90 -5.665 6.650 7.081 620 H LEU 91 HN LEU 91 -8.080 10.584 8.558 621 HA LEU 91 HA LEU 91 -6.216 12.756 8.635 622 HG LEU 91 HG LEU 91 -7.437 11.286 6.485 623 HB2 LEU 91 HB2 LEU 91 -9.116 12.609 7.791 624 HB3 LEU 91 HB1 LEU 91 -8.119 14.042 7.559 625 HD11 LEU 91 HD11 LEU 91 -8.021 12.473 4.256 626 HD12 LEU 91 HD12 LEU 91 -8.893 13.631 5.259 627 HD13 LEU 91 HD13 LEU 91 -9.355 11.929 5.273 628 HD21 LEU 91 HD21 LEU 91 -6.118 13.987 6.367 629 HD22 LEU 91 HD22 LEU 91 -6.005 12.950 4.947 630 HD23 LEU 91 HD23 LEU 91 -5.390 12.387 6.497 631 H GLU 92 HN GLU 92 -9.302 12.216 10.313 632 HA GLU 92 HA GLU 92 -9.372 14.763 11.637 633 HB2 GLU 92 HB2 GLU 92 -10.605 12.080 12.306 634 HB3 GLU 92 HB1 GLU 92 -10.948 13.556 13.210 635 HG2 GLU 92 HG2 GLU 92 -11.793 14.636 11.186 636 HG3 GLU 92 HG1 GLU 92 -11.370 13.218 10.227 637 H HIS 93 HN HIS 93 -8.060 11.592 12.523 638 HA HIS 93 HA HIS 93 -6.560 10.962 14.201 639 HD1 HIS 93 HD1 HIS 93 -3.826 10.673 14.098 640 HD2 HIS 93 HD2 HIS 93 -4.528 13.825 16.734 641 HE1 HIS 93 HE1 HIS 93 -2.241 10.344 16.045 642 HB2 HIS 93 HB2 HIS 93 -5.192 12.762 13.080 643 HB3 HIS 93 HB1 HIS 93 -5.819 13.901 14.272 644 H HIS 94 HN HIS 94 -7.385 14.259 15.310 645 HA HIS 94 HA HIS 94 -7.597 13.519 18.040 646 HD1 HIS 94 HD1 HIS 94 -10.882 15.838 18.402 647 HD2 HIS 94 HD2 HIS 94 -7.057 16.048 20.048 648 HE1 HIS 94 HE1 HIS 94 -11.181 16.493 20.831 649 HB2 HIS 94 HB2 HIS 94 -7.309 15.840 17.223 650 HB3 HIS 94 HB1 HIS 94 -8.969 15.816 16.628 651 H HIS 95 HN HIS 95 -9.467 13.267 19.384 652 HA HIS 95 HA HIS 95 -12.075 12.829 18.061 653 HD1 HIS 95 HD1 HIS 95 -11.575 9.194 21.008 654 HD2 HIS 95 HD2 HIS 95 -8.446 11.540 19.561 655 HE1 HIS 95 HE1 HIS 95 -9.588 8.743 22.511 656 HB2 HIS 95 HB2 HIS 95 -12.300 10.571 19.072 657 HB3 HIS 95 HB1 HIS 95 -10.992 10.636 17.891 658 H HIS 96 HN HIS 96 -13.788 12.399 19.743 659 HA HIS 96 HA HIS 96 -13.337 14.182 22.037 660 HD1 HIS 96 HD1 HIS 96 -16.529 12.479 23.780 661 HD2 HIS 96 HD2 HIS 96 -15.659 16.347 22.495 662 HE1 HIS 96 HE1 HIS 96 -17.345 14.038 25.600 663 HB2 HIS 96 HB2 HIS 96 -15.433 14.192 20.636 664 HB3 HIS 96 HB1 HIS 96 -15.816 12.604 21.300 665 H HIS 97 HN HIS 97 -11.745 12.705 23.072 666 HA HIS 97 HA HIS 97 -11.131 10.932 24.495 667 HD1 HIS 97 HD1 HIS 97 -10.569 10.694 27.181 668 HD2 HIS 97 HD2 HIS 97 -14.508 9.341 26.979 669 HE1 HIS 97 HE1 HIS 97 -10.752 8.768 28.816 670 HB2 HIS 97 HB2 HIS 97 -12.353 12.392 26.031 671 HB3 HIS 97 HB1 HIS 97 -13.880 11.647 25.555 672 H HIS 98 HN HIS 98 -14.524 10.112 24.830 673 HA HIS 98 HA HIS 98 -14.534 7.993 22.874 674 HD1 HIS 98 HD1 HIS 98 -14.103 5.535 22.354 675 HD2 HIS 98 HD2 HIS 98 -15.737 5.028 26.154 676 HE1 HIS 98 HE1 HIS 98 -15.404 3.364 22.289 677 HB2 HIS 98 HB2 HIS 98 -12.965 6.972 24.476 678 HB3 HIS 98 HB1 HIS 98 -14.124 7.223 25.782 Start of MODEL 20 1 HA ALA 12 HA ALA 12 -5.653 12.679 -12.187 2 H1 ALA 12 HN ALA 12 -7.060 11.945 -14.550 3 HB1 ALA 12 HB1 ALA 12 -7.463 14.298 -11.850 4 HB2 ALA 12 HB2 ALA 12 -8.486 13.415 -12.982 5 HB3 ALA 12 HB3 ALA 12 -7.035 14.236 -13.561 6 H PHE 13 HN PHE 13 -8.681 10.884 -12.646 7 HA PHE 13 HA PHE 13 -9.385 10.698 -9.871 8 HD1 PHE 13 HD2 PHE 13 -10.393 11.967 -12.333 9 HD2 PHE 13 HD1 PHE 13 -12.823 9.066 -10.299 10 HE1 PHE 13 HE2 PHE 13 -12.276 13.574 -12.289 11 HE2 PHE 13 HE1 PHE 13 -14.705 10.676 -10.255 12 HZ PHE 13 HZ PHE 13 -14.431 12.931 -11.248 13 HB2 PHE 13 HB2 PHE 13 -10.100 9.170 -12.360 14 HB3 PHE 13 HB1 PHE 13 -10.605 8.536 -10.795 15 H PHE 14 HN PHE 14 -7.550 8.483 -11.979 16 HA PHE 14 HA PHE 14 -7.136 6.457 -10.005 17 HD1 PHE 14 HD2 PHE 14 -7.697 7.289 -13.719 18 HD2 PHE 14 HD1 PHE 14 -6.497 3.859 -11.433 19 HE1 PHE 14 HE2 PHE 14 -9.397 5.916 -14.889 20 HE2 PHE 14 HE1 PHE 14 -8.199 2.485 -12.600 21 HZ PHE 14 HZ PHE 14 -9.650 3.513 -14.330 22 HB2 PHE 14 HB2 PHE 14 -5.568 7.249 -12.466 23 HB3 PHE 14 HB1 PHE 14 -5.136 5.861 -11.469 24 H ASN 15 HN ASN 15 -5.246 9.328 -10.882 25 HA ASN 15 HA ASN 15 -2.998 8.807 -9.204 26 HB2 ASN 15 HB2 ASN 15 -4.216 11.339 -10.306 27 HB3 ASN 15 HB1 ASN 15 -2.775 11.376 -9.289 28 HD21 ASN 15 HD21 ASN 15 -2.633 12.224 -12.003 29 HD22 ASN 15 HD22 ASN 15 -1.702 11.106 -12.877 30 H GLU 16 HN GLU 16 -6.057 10.518 -8.551 31 HA GLU 16 HA GLU 16 -5.357 11.399 -5.911 32 HB2 GLU 16 HB2 GLU 16 -8.042 10.811 -7.187 33 HB3 GLU 16 HB1 GLU 16 -7.855 11.568 -5.607 34 HG2 GLU 16 HG2 GLU 16 -6.616 12.667 -8.144 35 HG3 GLU 16 HG1 GLU 16 -8.175 13.196 -7.510 36 H GLN 17 HN GLN 17 -6.923 8.447 -7.107 37 HA GLN 17 HA GLN 17 -7.564 7.339 -4.542 38 HB2 GLN 17 HB2 GLN 17 -6.998 6.018 -7.210 39 HB3 GLN 17 HB1 GLN 17 -7.634 5.163 -5.806 40 HG2 GLN 17 HG2 GLN 17 -8.961 7.572 -7.082 41 HG3 GLN 17 HG1 GLN 17 -9.418 5.899 -7.404 42 HE21 GLN 17 HE21 GLN 17 -10.540 8.418 -5.705 43 HE22 GLN 17 HE22 GLN 17 -11.141 7.636 -4.323 44 H LYS 18 HN LYS 18 -4.687 7.063 -6.598 45 HA LYS 18 HA LYS 18 -3.322 5.105 -5.022 46 HB2 LYS 18 HB2 LYS 18 -2.320 7.271 -6.879 47 HB3 LYS 18 HB1 LYS 18 -1.260 6.070 -6.143 48 HG2 LYS 18 HG2 LYS 18 -2.584 4.263 -7.173 49 HG3 LYS 18 HG1 LYS 18 -3.655 5.460 -7.902 50 HD2 LYS 18 HD2 LYS 18 -1.751 6.411 -9.151 51 HD3 LYS 18 HD1 LYS 18 -0.677 5.215 -8.424 52 HE2 LYS 18 HE2 LYS 18 -1.993 3.401 -9.445 53 HE3 LYS 18 HE1 LYS 18 -3.081 4.586 -10.163 54 HZ1 LYS 18 HZ1 LYS 18 -0.660 3.642 -11.175 55 HZ2 LYS 18 HZ2 LYS 18 -0.437 5.282 -10.792 56 HZ3 LYS 18 HZ3 LYS 18 -1.685 4.814 -11.846 57 H GLU 19 HN GLU 19 -3.332 8.655 -4.897 58 HA GLU 19 HA GLU 19 -1.294 8.896 -2.899 59 HB2 GLU 19 HB2 GLU 19 -2.291 10.724 -4.406 60 HB3 GLU 19 HB1 GLU 19 -3.613 10.799 -3.245 61 HG2 GLU 19 HG2 GLU 19 -0.704 11.092 -2.445 62 HG3 GLU 19 HG1 GLU 19 -1.741 12.460 -2.844 63 H LYS 20 HN LYS 20 -4.830 8.591 -2.663 64 HA LYS 20 HA LYS 20 -5.010 8.988 0.168 65 HB2 LYS 20 HB2 LYS 20 -6.736 7.388 -1.740 66 HB3 LYS 20 HB1 LYS 20 -7.160 7.684 -0.055 67 HG2 LYS 20 HG2 LYS 20 -7.080 10.123 -0.472 68 HG3 LYS 20 HG1 LYS 20 -6.679 9.814 -2.160 69 HD2 LYS 20 HD2 LYS 20 -8.804 8.622 -2.470 70 HD3 LYS 20 HD1 LYS 20 -9.206 8.873 -0.772 71 HE2 LYS 20 HE2 LYS 20 -10.359 10.609 -1.883 72 HE3 LYS 20 HE1 LYS 20 -8.901 11.397 -1.281 73 HZ1 LYS 20 HZ1 LYS 20 -8.969 10.182 -3.969 74 HZ2 LYS 20 HZ2 LYS 20 -7.935 11.391 -3.371 75 HZ3 LYS 20 HZ3 LYS 20 -9.560 11.751 -3.714 76 H VAL 21 HN VAL 21 -4.547 6.078 -1.801 77 HA VAL 21 HA VAL 21 -4.613 4.185 0.343 78 HB VAL 21 HB VAL 21 -3.208 4.109 -2.339 79 HG11 VAL 21 HG11 VAL 21 -2.131 2.454 -1.029 80 HG12 VAL 21 HG12 VAL 21 -3.381 1.576 -1.909 81 HG13 VAL 21 HG13 VAL 21 -3.630 2.002 -0.216 82 HG21 VAL 21 HG21 VAL 21 -5.139 2.983 -3.142 83 HG22 VAL 21 HG22 VAL 21 -5.772 4.328 -2.194 84 HG23 VAL 21 HG23 VAL 21 -5.753 2.701 -1.513 85 H THR 22 HN THR 22 -1.930 5.932 -1.194 86 HA THR 22 HA THR 22 0.196 4.710 0.247 87 HB THR 22 HB THR 22 -0.043 7.515 -0.877 88 HG1 THR 22 HG1 THR 22 -0.262 5.970 -2.455 89 HG21 THR 22 HG21 THR 22 1.813 7.607 0.572 90 HG22 THR 22 HG22 THR 22 2.522 7.216 -0.994 91 HG23 THR 22 HG23 THR 22 2.294 5.948 0.210 92 H LEU 23 HN LEU 23 -1.700 7.647 0.990 93 HA LEU 23 HA LEU 23 -0.251 8.342 3.344 94 HG LEU 23 HG LEU 23 -2.881 9.167 4.993 95 HB2 LEU 23 HB2 LEU 23 -1.771 9.921 2.269 96 HB3 LEU 23 HB1 LEU 23 -3.141 8.861 2.591 97 HD11 LEU 23 HD11 LEU 23 -1.133 11.008 5.671 98 HD12 LEU 23 HD12 LEU 23 -0.347 10.566 4.156 99 HD13 LEU 23 HD13 LEU 23 -0.584 9.354 5.416 100 HD21 LEU 23 HD21 LEU 23 -4.261 10.843 4.034 101 HD22 LEU 23 HD22 LEU 23 -2.884 11.689 3.330 102 HD23 LEU 23 HD23 LEU 23 -3.143 11.725 5.074 103 H TYR 24 HN TYR 24 -3.167 6.351 2.914 104 HA TYR 24 HA TYR 24 -3.644 5.856 5.683 105 HD1 TYR 24 HD2 TYR 24 -6.077 5.017 6.410 106 HD2 TYR 24 HD1 TYR 24 -4.241 1.936 4.046 107 HE1 TYR 24 HE2 TYR 24 -6.956 3.297 7.966 108 HE2 TYR 24 HE1 TYR 24 -5.121 0.217 5.601 109 HH TYR 24 HH TYR 24 -7.285 0.212 7.303 110 HB2 TYR 24 HB2 TYR 24 -5.329 5.374 3.989 111 HB3 TYR 24 HB1 TYR 24 -4.280 4.167 3.249 112 H LEU 25 HN LEU 25 -1.778 4.013 3.280 113 HA LEU 25 HA LEU 25 -1.034 1.880 5.035 114 HG LEU 25 HG LEU 25 -1.976 1.987 2.340 115 HB2 LEU 25 HB2 LEU 25 0.311 3.013 2.574 116 HB3 LEU 25 HB1 LEU 25 0.837 1.535 3.377 117 HD11 LEU 25 HD11 LEU 25 -1.343 0.547 0.450 118 HD12 LEU 25 HD12 LEU 25 0.311 0.461 1.056 119 HD13 LEU 25 HD13 LEU 25 -0.343 1.998 0.489 120 HD21 LEU 25 HD21 LEU 25 -2.184 0.252 3.883 121 HD22 LEU 25 HD22 LEU 25 -0.532 -0.313 3.640 122 HD23 LEU 25 HD23 LEU 25 -1.771 -0.668 2.441 123 H LYS 26 HN LYS 26 0.520 4.981 4.291 124 HA LYS 26 HA LYS 26 2.945 4.527 5.675 125 HB2 LYS 26 HB2 LYS 26 2.270 6.515 4.180 126 HB3 LYS 26 HB1 LYS 26 1.535 7.195 5.632 127 HG2 LYS 26 HG2 LYS 26 3.664 7.148 6.801 128 HG3 LYS 26 HG1 LYS 26 4.426 6.299 5.462 129 HD2 LYS 26 HD2 LYS 26 5.012 8.654 5.322 130 HD3 LYS 26 HD1 LYS 26 3.941 8.249 3.984 131 HE2 LYS 26 HE2 LYS 26 3.450 10.423 5.293 132 HE3 LYS 26 HE1 LYS 26 2.094 9.345 4.979 133 HZ1 LYS 26 HZ1 LYS 26 2.437 10.249 7.340 134 HZ2 LYS 26 HZ2 LYS 26 3.675 9.090 7.454 135 HZ3 LYS 26 HZ3 LYS 26 2.075 8.603 7.153 136 H HIS 27 HN HIS 27 -0.127 5.872 6.912 137 HA HIS 27 HA HIS 27 0.887 6.308 9.569 138 HD1 HIS 27 HD1 HIS 27 0.172 8.492 10.528 139 HD2 HIS 27 HD2 HIS 27 -2.080 8.385 7.026 140 HE1 HIS 27 HE1 HIS 27 0.199 10.843 9.590 141 HB2 HIS 27 HB2 HIS 27 -1.906 6.040 8.454 142 HB3 HIS 27 HB1 HIS 27 -1.597 6.340 10.164 143 H ASN 28 HN ASN 28 -0.742 3.555 8.029 144 HA ASN 28 HA ASN 28 -0.791 2.062 10.579 145 HB2 ASN 28 HB2 ASN 28 -1.458 1.129 7.775 146 HB3 ASN 28 HB1 ASN 28 -1.845 0.291 9.278 147 HD21 ASN 28 HD21 ASN 28 -2.695 2.573 10.820 148 HD22 ASN 28 HD22 ASN 28 -4.131 3.162 10.136 149 H ILE 29 HN ILE 29 1.485 2.741 8.223 150 HA ILE 29 HA ILE 29 3.086 0.371 9.030 151 HB ILE 29 HB ILE 29 2.995 1.364 6.187 152 HG12 ILE 29 HG12 ILE 29 1.697 -1.042 7.512 153 HG13 ILE 29 HG11 ILE 29 0.842 0.346 6.842 154 HG21 ILE 29 HG21 ILE 29 4.144 -1.143 7.460 155 HG22 ILE 29 HG22 ILE 29 5.099 0.272 7.021 156 HG23 ILE 29 HG23 ILE 29 4.293 -0.670 5.767 157 HD11 ILE 29 HD11 ILE 29 0.789 -1.438 5.207 158 HD12 ILE 29 HD12 ILE 29 2.535 -1.654 5.323 159 HD13 ILE 29 HD13 ILE 29 1.873 -0.180 4.615 160 HA PRO 30 HA PRO 30 5.581 4.199 9.596 161 HB2 PRO 30 HB2 PRO 30 7.233 3.205 11.544 162 HB3 PRO 30 HB1 PRO 30 5.601 3.815 11.883 163 HG2 PRO 30 HG2 PRO 30 6.545 1.002 11.582 164 HG3 PRO 30 HG1 PRO 30 5.380 1.681 12.733 165 HD2 PRO 30 HD2 PRO 30 4.651 0.309 10.484 166 HD3 PRO 30 HD1 PRO 30 3.621 1.557 11.225 167 H ASP 31 HN ASP 31 6.414 1.024 8.632 168 HA ASP 31 HA ASP 31 9.227 1.686 8.000 169 HB2 ASP 31 HB2 ASP 31 7.551 -0.811 7.624 170 HB3 ASP 31 HB1 ASP 31 9.240 -0.684 7.135 171 H PHE 32 HN PHE 32 6.377 2.455 6.633 172 HA PHE 32 HA PHE 32 6.464 1.626 3.952 173 HD1 PHE 32 HD2 PHE 32 6.521 5.288 2.825 174 HD2 PHE 32 HD1 PHE 32 3.497 2.242 2.965 175 HE1 PHE 32 HE2 PHE 32 5.908 5.790 0.475 176 HE2 PHE 32 HE1 PHE 32 2.881 2.744 0.619 177 HZ PHE 32 HZ PHE 32 4.088 4.517 -0.629 178 HB2 PHE 32 HB2 PHE 32 4.601 2.914 4.963 179 HB3 PHE 32 HB1 PHE 32 5.632 4.345 5.000 180 H ASN 33 HN ASN 33 7.808 2.052 2.301 181 HA ASN 33 HA ASN 33 9.706 4.369 2.502 182 HB2 ASN 33 HB2 ASN 33 10.738 2.069 2.859 183 HB3 ASN 33 HB1 ASN 33 10.284 1.701 1.194 184 HD21 ASN 33 HD21 ASN 33 12.457 1.648 0.358 185 HD22 ASN 33 HD22 ASN 33 13.430 3.036 0.277 186 H THR 34 HN THR 34 8.402 1.980 0.170 187 HA THR 34 HA THR 34 7.672 4.215 -1.637 188 HB THR 34 HB THR 34 9.904 3.683 -2.408 189 HG1 THR 34 HG1 THR 34 8.055 2.302 -4.048 190 HG21 THR 34 HG21 THR 34 8.930 0.815 -2.387 191 HG22 THR 34 HG22 THR 34 10.207 1.506 -1.387 192 HG23 THR 34 HG23 THR 34 10.441 1.343 -3.127 193 H VAL 35 HN VAL 35 6.161 3.548 -3.302 194 HA VAL 35 HA VAL 35 4.961 0.841 -2.940 195 HB VAL 35 HB VAL 35 3.669 2.397 -1.536 196 HG11 VAL 35 HG11 VAL 35 3.011 3.888 -4.085 197 HG12 VAL 35 HG12 VAL 35 4.266 4.424 -2.968 198 HG13 VAL 35 HG13 VAL 35 2.589 4.334 -2.432 199 HG21 VAL 35 HG21 VAL 35 2.138 1.752 -4.067 200 HG22 VAL 35 HG22 VAL 35 1.498 1.859 -2.427 201 HG23 VAL 35 HG23 VAL 35 2.578 0.537 -2.867 202 H THR 36 HN THR 36 4.182 -0.037 -4.819 203 HA THR 36 HA THR 36 4.236 1.675 -7.285 204 HB THR 36 HB THR 36 5.106 -1.215 -6.981 205 HG1 THR 36 HG1 THR 36 6.561 0.451 -6.245 206 HG21 THR 36 HG21 THR 36 4.793 0.610 -9.369 207 HG22 THR 36 HG22 THR 36 4.110 -0.999 -9.130 208 HG23 THR 36 HG23 THR 36 5.842 -0.808 -9.402 209 H PHE 37 HN PHE 37 2.334 1.664 -8.360 210 HA PHE 37 HA PHE 37 0.241 -0.270 -7.509 211 HD1 PHE 37 HD2 PHE 37 -1.899 0.922 -6.307 212 HD2 PHE 37 HD1 PHE 37 1.108 3.751 -7.494 213 HE1 PHE 37 HE2 PHE 37 -2.031 1.997 -4.077 214 HE2 PHE 37 HE1 PHE 37 0.977 4.825 -5.263 215 HZ PHE 37 HZ PHE 37 -0.592 3.949 -3.554 216 HB2 PHE 37 HB2 PHE 37 0.108 2.297 -9.117 217 HB3 PHE 37 HB1 PHE 37 -1.288 1.294 -8.712 218 H THR 38 HN THR 38 -0.241 -1.965 -8.781 219 HA THR 38 HA THR 38 0.780 -2.025 -11.580 220 HB THR 38 HB THR 38 0.468 -4.440 -11.429 221 HG1 THR 38 HG1 THR 38 -1.204 -3.687 -9.442 222 HG21 THR 38 HG21 THR 38 1.719 -3.272 -8.927 223 HG22 THR 38 HG22 THR 38 2.531 -3.557 -10.466 224 HG23 THR 38 HG23 THR 38 1.968 -4.921 -9.500 225 H ASN 39 HN ASN 39 -2.074 -1.607 -9.751 226 HA ASN 39 HA ASN 39 -4.326 -1.397 -10.368 227 HB2 ASN 39 HB2 ASN 39 -3.205 -1.134 -13.176 228 HB3 ASN 39 HB1 ASN 39 -4.801 -0.626 -12.632 229 HD21 ASN 39 HD21 ASN 39 -1.941 0.708 -13.429 230 HD22 ASN 39 HD22 ASN 39 -1.894 2.013 -12.345 231 H GLU 40 HN GLU 40 -6.080 -2.653 -11.107 232 HA GLU 40 HA GLU 40 -5.436 -5.120 -12.656 233 HB2 GLU 40 HB2 GLU 40 -6.882 -5.032 -9.991 234 HB3 GLU 40 HB1 GLU 40 -6.818 -6.446 -11.041 235 HG2 GLU 40 HG2 GLU 40 -4.394 -5.037 -9.896 236 HG3 GLU 40 HG1 GLU 40 -5.098 -6.517 -9.244 237 H GLU 41 HN GLU 41 -7.923 -6.308 -12.453 238 HA GLU 41 HA GLU 41 -9.417 -4.914 -14.428 239 HB2 GLU 41 HB2 GLU 41 -10.202 -7.138 -12.532 240 HB3 GLU 41 HB1 GLU 41 -11.197 -6.603 -13.888 241 HG2 GLU 41 HG2 GLU 41 -9.378 -7.125 -15.453 242 HG3 GLU 41 HG1 GLU 41 -8.350 -7.616 -14.106 243 H PHE 42 HN PHE 42 -12.098 -5.098 -13.518 244 HA PHE 42 HA PHE 42 -12.186 -2.767 -11.652 245 HD1 PHE 42 HD2 PHE 42 -13.102 -4.318 -15.425 246 HD2 PHE 42 HD1 PHE 42 -16.110 -3.911 -12.383 247 HE1 PHE 42 HE2 PHE 42 -14.471 -6.057 -16.545 248 HE2 PHE 42 HE1 PHE 42 -17.478 -5.649 -13.506 249 HZ PHE 42 HZ PHE 42 -16.659 -6.721 -15.587 250 HB2 PHE 42 HB2 PHE 42 -14.345 -2.240 -12.646 251 HB3 PHE 42 HB1 PHE 42 -13.125 -2.394 -13.907 252 H ASN 43 HN ASN 43 -13.123 -3.000 -9.706 253 HA ASN 43 HA ASN 43 -14.249 -5.631 -9.036 254 HB2 ASN 43 HB2 ASN 43 -13.321 -3.241 -7.469 255 HB3 ASN 43 HB1 ASN 43 -14.351 -4.438 -6.686 256 HD21 ASN 43 HD21 ASN 43 -11.936 -4.393 -5.535 257 HD22 ASN 43 HD22 ASN 43 -10.927 -5.646 -6.078 258 HA PRO 44 HA PRO 44 -18.594 -4.643 -9.172 259 HB2 PRO 44 HB2 PRO 44 -18.681 -5.371 -6.258 260 HB3 PRO 44 HB1 PRO 44 -19.690 -5.960 -7.595 261 HG2 PRO 44 HG2 PRO 44 -17.726 -7.444 -6.540 262 HG3 PRO 44 HG1 PRO 44 -18.126 -7.505 -8.267 263 HD2 PRO 44 HD2 PRO 44 -15.761 -6.278 -6.935 264 HD3 PRO 44 HD1 PRO 44 -15.941 -6.912 -8.586 265 H ILE 45 HN ILE 45 -16.821 -3.520 -6.309 266 HA ILE 45 HA ILE 45 -18.683 -1.447 -5.585 267 HB ILE 45 HB ILE 45 -16.914 -2.430 -4.081 268 HG12 ILE 45 HG12 ILE 45 -16.617 0.568 -4.376 269 HG13 ILE 45 HG11 ILE 45 -18.070 -0.181 -3.714 270 HG21 ILE 45 HG21 ILE 45 -15.123 -2.333 -5.880 271 HG22 ILE 45 HG22 ILE 45 -14.626 -1.731 -4.298 272 HG23 ILE 45 HG23 ILE 45 -15.029 -0.595 -5.585 273 HD11 ILE 45 HD11 ILE 45 -15.251 -0.395 -2.621 274 HD12 ILE 45 HD12 ILE 45 -16.608 -1.353 -2.028 275 HD13 ILE 45 HD13 ILE 45 -16.628 0.402 -1.861 276 H GLY 46 HN GLY 46 -15.800 -1.540 -7.636 277 HA2 GLY 46 HA2 GLY 46 -16.650 0.574 -9.321 278 HA3 GLY 46 HA1 GLY 46 -15.587 1.262 -8.095 279 H ILE 47 HN ILE 47 -13.380 0.849 -8.199 280 HA ILE 47 HA ILE 47 -12.440 -0.788 -10.530 281 HB ILE 47 HB ILE 47 -10.544 0.789 -10.693 282 HG12 ILE 47 HG12 ILE 47 -12.084 2.421 -8.645 283 HG13 ILE 47 HG11 ILE 47 -10.611 1.520 -8.286 284 HG21 ILE 47 HG21 ILE 47 -11.792 2.556 -11.743 285 HG22 ILE 47 HG22 ILE 47 -13.196 2.247 -10.723 286 HG23 ILE 47 HG23 ILE 47 -12.724 1.074 -11.951 287 HD11 ILE 47 HD11 ILE 47 -9.455 2.827 -10.100 288 HD12 ILE 47 HD12 ILE 47 -9.981 3.810 -8.735 289 HD13 ILE 47 HD13 ILE 47 -10.907 3.818 -10.236 290 H SER 48 HN SER 48 -10.557 -2.040 -10.213 291 HA SER 48 HA SER 48 -9.948 -2.620 -7.354 292 HG SER 48 HG SER 48 -9.356 -5.852 -8.000 293 HB2 SER 48 HB2 SER 48 -10.654 -4.434 -9.021 294 HB3 SER 48 HB1 SER 48 -9.079 -4.219 -9.770 295 H ILE 49 HN ILE 49 -8.071 -1.895 -6.523 296 HA ILE 49 HA ILE 49 -5.851 -1.146 -8.398 297 HB ILE 49 HB ILE 49 -6.616 0.013 -5.705 298 HG12 ILE 49 HG12 ILE 49 -6.458 1.317 -8.436 299 HG13 ILE 49 HG11 ILE 49 -7.952 0.663 -7.764 300 HG21 ILE 49 HG21 ILE 49 -4.233 0.456 -7.519 301 HG22 ILE 49 HG22 ILE 49 -4.225 0.011 -5.811 302 HG23 ILE 49 HG23 ILE 49 -4.726 1.631 -6.299 303 HD11 ILE 49 HD11 ILE 49 -7.847 3.049 -7.291 304 HD12 ILE 49 HD12 ILE 49 -6.251 2.866 -6.565 305 HD13 ILE 49 HD13 ILE 49 -7.664 2.156 -5.783 306 H ASP 50 HN ASP 50 -4.000 -2.246 -8.142 307 HA ASP 50 HA ASP 50 -3.519 -3.697 -5.565 308 HB2 ASP 50 HB2 ASP 50 -4.329 -5.147 -7.536 309 HB3 ASP 50 HB1 ASP 50 -2.764 -4.806 -8.270 310 H GLY 51 HN GLY 51 -1.295 -3.948 -5.027 311 HA2 GLY 51 HA2 GLY 51 0.844 -3.068 -6.722 312 HA3 GLY 51 HA1 GLY 51 0.382 -1.756 -5.637 313 H TYR 52 HN TYR 52 2.804 -2.394 -5.113 314 HA TYR 52 HA TYR 52 2.692 -4.028 -2.640 315 HD1 TYR 52 HD1 TYR 52 6.537 -3.523 -4.330 316 HD2 TYR 52 HD2 TYR 52 3.210 -5.092 -6.551 317 HE1 TYR 52 HE1 TYR 52 7.614 -2.816 -6.451 318 HE2 TYR 52 HE2 TYR 52 4.288 -4.383 -8.667 319 HH TYR 52 HH TYR 52 7.566 -3.096 -8.721 320 HB2 TYR 52 HB2 TYR 52 4.902 -5.084 -3.304 321 HB3 TYR 52 HB1 TYR 52 3.503 -5.646 -4.216 322 H ILE 53 HN ILE 53 4.611 -3.682 -1.263 323 HA ILE 53 HA ILE 53 5.808 -0.960 -1.716 324 HB ILE 53 HB ILE 53 5.787 -0.687 0.736 325 HG12 ILE 53 HG12 ILE 53 4.161 -3.254 0.741 326 HG13 ILE 53 HG11 ILE 53 5.835 -3.141 1.280 327 HG21 ILE 53 HG21 ILE 53 3.040 -1.433 -0.288 328 HG22 ILE 53 HG22 ILE 53 3.879 0.045 -0.757 329 HG23 ILE 53 HG23 ILE 53 3.439 -0.222 0.929 330 HD11 ILE 53 HD11 ILE 53 4.556 -2.936 3.266 331 HD12 ILE 53 HD12 ILE 53 3.396 -1.851 2.501 332 HD13 ILE 53 HD13 ILE 53 5.024 -1.284 2.867 333 H ASN 54 HN ASN 54 7.873 -0.604 -0.659 334 HA ASN 54 HA ASN 54 10.113 -1.169 -0.341 335 HB2 ASN 54 HB2 ASN 54 8.743 -3.547 0.955 336 HB3 ASN 54 HB1 ASN 54 10.488 -3.296 1.008 337 HD21 ASN 54 HD21 ASN 54 7.476 -2.351 2.446 338 HD22 ASN 54 HD22 ASN 54 8.099 -1.138 3.458 339 H ASN 55 HN ASN 55 8.827 -1.868 -2.854 340 HA ASN 55 HA ASN 55 9.169 -3.187 -4.760 341 HB2 ASN 55 HB2 ASN 55 11.968 -3.388 -3.616 342 HB3 ASN 55 HB1 ASN 55 11.502 -3.534 -5.311 343 HD21 ASN 55 HD21 ASN 55 9.480 -1.302 -5.048 344 HD22 ASN 55 HD22 ASN 55 10.398 0.124 -5.002 345 H ASP 56 HN ASP 56 8.230 -4.615 -2.399 346 HA ASP 56 HA ASP 56 9.456 -7.314 -2.857 347 HB2 ASP 56 HB2 ASP 56 8.031 -6.142 -0.460 348 HB3 ASP 56 HB1 ASP 56 8.361 -7.866 -0.634 349 H LYS 57 HN LYS 57 8.229 -8.393 -4.291 350 HA LYS 57 HA LYS 57 5.516 -7.838 -4.936 351 HB2 LYS 57 HB2 LYS 57 7.194 -10.335 -5.271 352 HB3 LYS 57 HB1 LYS 57 5.576 -10.161 -5.953 353 HG2 LYS 57 HG2 LYS 57 6.325 -8.154 -7.197 354 HG3 LYS 57 HG1 LYS 57 7.944 -8.351 -6.526 355 HD2 LYS 57 HD2 LYS 57 8.176 -10.526 -7.614 356 HD3 LYS 57 HD1 LYS 57 6.519 -10.431 -8.212 357 HE2 LYS 57 HE2 LYS 57 7.852 -9.740 -10.048 358 HE3 LYS 57 HE1 LYS 57 7.242 -8.237 -9.356 359 HZ1 LYS 57 HZ1 LYS 57 9.298 -7.927 -8.195 360 HZ2 LYS 57 HZ2 LYS 57 9.641 -8.187 -9.839 361 HZ3 LYS 57 HZ3 LYS 57 9.880 -9.434 -8.709 362 H ASN 58 HN ASN 58 6.953 -9.908 -2.481 363 HA ASN 58 HA ASN 58 4.630 -11.429 -1.805 364 HB2 ASN 58 HB2 ASN 58 7.055 -10.554 -0.226 365 HB3 ASN 58 HB1 ASN 58 5.778 -11.528 0.503 366 HD21 ASN 58 HD21 ASN 58 8.418 -12.576 0.208 367 HD22 ASN 58 HD22 ASN 58 8.379 -13.824 -0.942 368 H LEU 59 HN LEU 59 5.779 -8.244 -0.750 369 HA LEU 59 HA LEU 59 3.525 -7.909 1.106 370 HG LEU 59 HG LEU 59 6.619 -7.843 1.253 371 HB2 LEU 59 HB2 LEU 59 5.583 -5.901 0.136 372 HB3 LEU 59 HB1 LEU 59 4.496 -5.690 1.509 373 HD11 LEU 59 HD11 LEU 59 7.919 -6.611 2.800 374 HD12 LEU 59 HD12 LEU 59 6.565 -5.569 3.239 375 HD13 LEU 59 HD13 LEU 59 7.335 -5.395 1.663 376 HD21 LEU 59 HD21 LEU 59 5.991 -7.988 3.819 377 HD22 LEU 59 HD22 LEU 59 4.999 -8.823 2.630 378 HD23 LEU 59 HD23 LEU 59 4.468 -7.274 3.288 379 H SER 60 HN SER 60 1.977 -8.355 -0.720 380 HA SER 60 HA SER 60 1.535 -5.989 -2.483 381 HG SER 60 HG SER 60 2.590 -8.509 -3.532 382 HB2 SER 60 HB2 SER 60 0.617 -8.855 -2.626 383 HB3 SER 60 HB1 SER 60 -0.087 -7.592 -3.631 384 H PHE 61 HN PHE 61 -0.679 -5.242 -2.754 385 HA PHE 61 HA PHE 61 -2.603 -5.976 -0.632 386 HD1 PHE 61 HD2 PHE 61 -3.427 -2.066 -1.776 387 HD2 PHE 61 HD1 PHE 61 0.602 -3.317 -0.965 388 HE1 PHE 61 HE2 PHE 61 -2.568 -0.212 -3.182 389 HE2 PHE 61 HE1 PHE 61 1.460 -1.461 -2.368 390 HZ PHE 61 HZ PHE 61 -0.124 0.092 -3.475 391 HB2 PHE 61 HB2 PHE 61 -2.915 -3.631 0.050 392 HB3 PHE 61 HB1 PHE 61 -1.261 -4.151 0.357 393 H THR 62 HN THR 62 -4.743 -5.428 -1.183 394 HA THR 62 HA THR 62 -5.156 -4.286 -3.922 395 HB THR 62 HB THR 62 -6.625 -6.628 -2.673 396 HG1 THR 62 HG1 THR 62 -5.635 -7.641 -4.594 397 HG21 THR 62 HG21 THR 62 -6.987 -5.062 -5.229 398 HG22 THR 62 HG22 THR 62 -8.202 -5.516 -4.033 399 HG23 THR 62 HG23 THR 62 -7.520 -6.737 -5.106 400 H ALA 63 HN ALA 63 -6.649 -2.663 -3.965 401 HA ALA 63 HA ALA 63 -8.527 -2.392 -1.654 402 HB1 ALA 63 HB1 ALA 63 -8.155 0.087 -1.809 403 HB2 ALA 63 HB2 ALA 63 -6.817 -0.241 -2.910 404 HB3 ALA 63 HB3 ALA 63 -6.751 -0.816 -1.244 405 H GLY 64 HN GLY 64 -10.589 -1.765 -2.180 406 HA2 GLY 64 HA2 GLY 64 -11.172 -1.582 -5.104 407 HA3 GLY 64 HA1 GLY 64 -12.338 -1.983 -3.848 408 H LYS 65 HN LYS 65 -11.246 0.440 -5.859 409 HA LYS 65 HA LYS 65 -11.487 2.789 -5.890 410 HB2 LYS 65 HB2 LYS 65 -13.718 1.851 -6.480 411 HB3 LYS 65 HB1 LYS 65 -14.182 1.962 -4.783 412 HG2 LYS 65 HG2 LYS 65 -13.854 4.388 -4.812 413 HG3 LYS 65 HG1 LYS 65 -13.286 4.310 -6.480 414 HD2 LYS 65 HD2 LYS 65 -15.482 3.412 -7.179 415 HD3 LYS 65 HD1 LYS 65 -16.052 3.525 -5.514 416 HE2 LYS 65 HE2 LYS 65 -15.083 5.857 -7.194 417 HE3 LYS 65 HE1 LYS 65 -16.772 5.480 -6.853 418 HZ1 LYS 65 HZ1 LYS 65 -16.054 7.119 -5.309 419 HZ2 LYS 65 HZ2 LYS 65 -14.671 6.224 -4.894 420 HZ3 LYS 65 HZ3 LYS 65 -16.213 5.661 -4.458 421 H ASP 66 HN ASP 66 -13.647 2.329 -3.128 422 HA ASP 66 HA ASP 66 -12.378 4.543 -1.737 423 HB2 ASP 66 HB2 ASP 66 -14.625 2.640 -1.052 424 HB3 ASP 66 HB1 ASP 66 -14.077 3.896 0.059 425 H VAL 67 HN VAL 67 -10.715 4.393 -0.362 426 HA VAL 67 HA VAL 67 -9.375 1.958 0.252 427 HB VAL 67 HB VAL 67 -9.275 4.562 1.803 428 HG11 VAL 67 HG11 VAL 67 -8.061 2.982 3.053 429 HG12 VAL 67 HG12 VAL 67 -6.818 3.718 2.043 430 HG13 VAL 67 HG13 VAL 67 -7.483 2.141 1.615 431 HG21 VAL 67 HG21 VAL 67 -7.395 5.127 0.269 432 HG22 VAL 67 HG22 VAL 67 -8.930 4.979 -0.586 433 HG23 VAL 67 HG23 VAL 67 -7.746 3.674 -0.667 434 H LYS 68 HN LYS 68 -12.341 2.911 1.302 435 HA LYS 68 HA LYS 68 -12.335 2.361 4.101 436 HB2 LYS 68 HB2 LYS 68 -14.237 3.387 2.836 437 HB3 LYS 68 HB1 LYS 68 -14.546 1.815 2.100 438 HG2 LYS 68 HG2 LYS 68 -14.954 0.827 4.302 439 HG3 LYS 68 HG1 LYS 68 -14.574 2.363 5.083 440 HD2 LYS 68 HD2 LYS 68 -16.467 3.427 3.885 441 HD3 LYS 68 HD1 LYS 68 -16.858 1.873 3.147 442 HE2 LYS 68 HE2 LYS 68 -16.764 2.350 6.139 443 HE3 LYS 68 HE1 LYS 68 -18.242 2.391 5.179 444 HZ1 LYS 68 HZ1 LYS 68 -17.738 0.105 4.458 445 HZ2 LYS 68 HZ2 LYS 68 -17.976 0.226 6.135 446 HZ3 LYS 68 HZ3 LYS 68 -16.405 0.082 5.506 447 H ILE 69 HN ILE 69 -12.792 0.261 1.269 448 HA ILE 69 HA ILE 69 -12.516 -2.131 3.076 449 HB ILE 69 HB ILE 69 -13.969 -1.840 0.432 450 HG12 ILE 69 HG12 ILE 69 -15.016 -2.573 3.182 451 HG13 ILE 69 HG11 ILE 69 -15.052 -0.931 2.541 452 HG21 ILE 69 HG21 ILE 69 -14.670 -4.238 1.015 453 HG22 ILE 69 HG22 ILE 69 -13.329 -4.238 2.161 454 HG23 ILE 69 HG23 ILE 69 -13.018 -4.025 0.437 455 HD11 ILE 69 HD11 ILE 69 -16.346 -3.342 1.231 456 HD12 ILE 69 HD12 ILE 69 -16.411 -1.683 0.637 457 HD13 ILE 69 HD13 ILE 69 -17.199 -2.107 2.158 458 H PHE 70 HN PHE 70 -10.484 -2.891 2.915 459 HA PHE 70 HA PHE 70 -9.358 -3.314 0.205 460 HD1 PHE 70 HD2 PHE 70 -6.113 -3.553 2.714 461 HD2 PHE 70 HD1 PHE 70 -9.076 -0.505 3.342 462 HE1 PHE 70 HE2 PHE 70 -5.431 -3.380 5.092 463 HE2 PHE 70 HE1 PHE 70 -8.391 -0.330 5.719 464 HZ PHE 70 HZ PHE 70 -6.568 -1.767 6.593 465 HB2 PHE 70 HB2 PHE 70 -7.187 -2.420 0.828 466 HB3 PHE 70 HB1 PHE 70 -8.407 -1.174 1.087 467 H SER 71 HN SER 71 -7.643 -4.902 0.169 468 HA SER 71 HA SER 71 -7.682 -6.747 2.534 469 HG SER 71 HG SER 71 -7.339 -8.786 2.070 470 HB2 SER 71 HB2 SER 71 -9.033 -7.547 0.553 471 HB3 SER 71 HB1 SER 71 -7.536 -7.571 -0.374 472 H SER 72 HN SER 72 -5.736 -8.005 2.797 473 HA SER 72 HA SER 72 -3.385 -7.260 1.169 474 HG SER 72 HG SER 72 -3.447 -7.469 4.845 475 HB2 SER 72 HB2 SER 72 -2.107 -6.724 3.299 476 HB3 SER 72 HB1 SER 72 -3.291 -5.514 2.812 477 H SER 73 HN SER 73 -1.502 -8.618 1.735 478 HA SER 73 HA SER 73 -2.338 -11.357 2.219 479 HG SER 73 HG SER 73 1.506 -10.274 1.557 480 HB2 SER 73 HB2 SER 73 -0.019 -11.923 1.752 481 HB3 SER 73 HB1 SER 73 -0.568 -10.726 0.583 482 H GLU 74 HN GLU 74 -0.966 -12.731 3.724 483 HA GLU 74 HA GLU 74 -1.334 -11.863 6.431 484 HB2 GLU 74 HB2 GLU 74 0.244 -14.166 5.247 485 HB3 GLU 74 HB1 GLU 74 -0.049 -13.959 6.971 486 HG2 GLU 74 HG2 GLU 74 -1.791 -15.395 6.350 487 HG3 GLU 74 HG1 GLU 74 -2.576 -13.823 6.273 488 H GLU 75 HN GLU 75 1.495 -12.021 4.304 489 HA GLU 75 HA GLU 75 3.459 -11.386 6.289 490 HB2 GLU 75 HB2 GLU 75 3.429 -10.848 3.304 491 HB3 GLU 75 HB1 GLU 75 4.855 -10.716 4.333 492 HG2 GLU 75 HG2 GLU 75 3.213 -13.244 4.010 493 HG3 GLU 75 HG1 GLU 75 4.707 -12.909 3.134 494 H LEU 76 HN LEU 76 1.475 -9.371 4.149 495 HA LEU 76 HA LEU 76 2.693 -6.896 5.139 496 HG LEU 76 HG LEU 76 0.297 -5.110 4.478 497 HB2 LEU 76 HB2 LEU 76 1.874 -7.093 2.807 498 HB3 LEU 76 HB1 LEU 76 0.240 -7.342 3.414 499 HD11 LEU 76 HD11 LEU 76 3.106 -5.140 3.391 500 HD12 LEU 76 HD12 LEU 76 2.530 -4.609 4.973 501 HD13 LEU 76 HD13 LEU 76 2.252 -3.606 3.554 502 HD21 LEU 76 HD21 LEU 76 1.031 -5.135 1.534 503 HD22 LEU 76 HD22 LEU 76 0.240 -3.798 2.370 504 HD23 LEU 76 HD23 LEU 76 -0.586 -5.346 2.203 505 H ASP 77 HN ASP 77 0.057 -8.959 5.982 506 HA ASP 77 HA ASP 77 -1.622 -7.047 7.312 507 HB2 ASP 77 HB2 ASP 77 -2.377 -9.314 6.684 508 HB3 ASP 77 HB1 ASP 77 -1.251 -10.004 7.851 509 H LYS 78 HN LYS 78 0.906 -9.248 8.562 510 HA LYS 78 HA LYS 78 0.685 -8.407 11.286 511 HB2 LYS 78 HB2 LYS 78 2.825 -9.530 11.615 512 HB3 LYS 78 HB1 LYS 78 1.816 -10.499 10.544 513 HG2 LYS 78 HG2 LYS 78 2.994 -9.554 8.583 514 HG3 LYS 78 HG1 LYS 78 4.026 -8.609 9.656 515 HD2 LYS 78 HD2 LYS 78 4.648 -10.840 10.762 516 HD3 LYS 78 HD1 LYS 78 3.901 -11.613 9.364 517 HE2 LYS 78 HE2 LYS 78 6.114 -9.546 9.186 518 HE3 LYS 78 HE1 LYS 78 6.373 -11.288 9.104 519 HZ1 LYS 78 HZ1 LYS 78 4.542 -9.833 7.285 520 HZ2 LYS 78 HZ2 LYS 78 5.094 -11.432 7.142 521 HZ3 LYS 78 HZ3 LYS 78 6.169 -10.137 6.914 522 H MET 79 HN MET 79 2.213 -6.948 8.543 523 HA MET 79 HA MET 79 4.151 -5.344 9.918 524 HB2 MET 79 HB2 MET 79 2.696 -5.026 7.292 525 HB3 MET 79 HB1 MET 79 3.866 -3.837 7.854 526 HG2 MET 79 HG2 MET 79 5.593 -5.587 7.996 527 HG3 MET 79 HG1 MET 79 4.420 -6.793 7.468 528 HE1 MET 79 HE1 MET 79 6.095 -3.578 6.919 529 HE2 MET 79 HE2 MET 79 4.807 -2.971 5.882 530 HE3 MET 79 HE3 MET 79 6.366 -3.394 5.181 531 H PHE 80 HN PHE 80 0.709 -4.933 9.278 532 HA PHE 80 HA PHE 80 0.419 -2.194 9.823 533 HD1 PHE 80 HD1 PHE 80 -0.077 -4.042 7.696 534 HD2 PHE 80 HD2 PHE 80 -3.405 -1.955 9.436 535 HE1 PHE 80 HE1 PHE 80 -0.769 -3.267 5.447 536 HE2 PHE 80 HE2 PHE 80 -4.097 -1.184 7.182 537 HZ PHE 80 HZ PHE 80 -2.778 -1.840 5.189 538 HB2 PHE 80 HB2 PHE 80 -1.355 -4.594 10.143 539 HB3 PHE 80 HB1 PHE 80 -1.894 -3.065 10.838 540 H GLN 81 HN GLN 81 0.229 -0.968 11.645 541 HA GLN 81 HA GLN 81 1.379 -2.081 14.110 542 HB2 GLN 81 HB2 GLN 81 2.002 0.180 13.215 543 HB3 GLN 81 HB1 GLN 81 0.354 0.713 13.544 544 HG2 GLN 81 HG2 GLN 81 0.646 0.158 15.933 545 HG3 GLN 81 HG1 GLN 81 2.299 -0.362 15.607 546 HE21 GLN 81 HE21 GLN 81 3.801 1.230 16.075 547 HE22 GLN 81 HE22 GLN 81 3.531 2.902 15.960 548 H GLU 82 HN GLU 82 -1.355 0.188 13.791 549 HA GLU 82 HA GLU 82 -2.734 -1.324 15.941 550 HB2 GLU 82 HB2 GLU 82 -2.858 1.495 14.917 551 HB3 GLU 82 HB1 GLU 82 -4.247 0.845 15.784 552 HG2 GLU 82 HG2 GLU 82 -2.848 0.302 17.708 553 HG3 GLU 82 HG1 GLU 82 -1.406 0.825 16.839 554 HA PRO 83 HA PRO 83 -5.917 -3.233 13.553 555 HB2 PRO 83 HB2 PRO 83 -7.839 -1.467 15.045 556 HB3 PRO 83 HB1 PRO 83 -7.915 -3.217 14.747 557 HG2 PRO 83 HG2 PRO 83 -7.122 -2.205 17.108 558 HG3 PRO 83 HG1 PRO 83 -6.456 -3.709 16.449 559 HD2 PRO 83 HD2 PRO 83 -5.141 -1.072 16.741 560 HD3 PRO 83 HD1 PRO 83 -4.416 -2.681 16.533 561 H ARG 84 HN ARG 84 -7.806 -2.701 12.074 562 HA ARG 84 HA ARG 84 -7.068 -0.638 10.238 563 HE ARG 84 HE ARG 84 -10.858 -4.100 9.338 564 HB2 ARG 84 HB2 ARG 84 -9.639 -2.217 10.529 565 HB3 ARG 84 HB1 ARG 84 -9.254 -1.190 9.146 566 HG2 ARG 84 HG2 ARG 84 -7.228 -2.533 8.712 567 HG3 ARG 84 HG1 ARG 84 -7.616 -3.561 10.090 568 HD2 ARG 84 HD2 ARG 84 -9.428 -3.169 7.693 569 HD3 ARG 84 HD1 ARG 84 -8.338 -4.538 7.899 570 HH11 ARG 84 HH21 ARG 84 -7.788 -5.688 9.212 571 HH12 ARG 84 HH22 ARG 84 -8.283 -6.998 10.230 572 HH21 ARG 84 HH11 ARG 84 -11.508 -5.804 10.655 573 HH22 ARG 84 HH12 ARG 84 -10.387 -7.064 11.046 574 H LYS 85 HN LYS 85 -7.620 1.466 10.165 575 HA LYS 85 HA LYS 85 -9.632 2.511 12.124 576 HB2 LYS 85 HB2 LYS 85 -7.397 3.975 10.685 577 HB3 LYS 85 HB1 LYS 85 -8.402 4.615 11.979 578 HG2 LYS 85 HG2 LYS 85 -6.621 2.192 12.325 579 HG3 LYS 85 HG1 LYS 85 -6.090 3.833 12.681 580 HD2 LYS 85 HD2 LYS 85 -8.015 4.063 14.260 581 HD3 LYS 85 HD1 LYS 85 -8.408 2.371 13.976 582 HE2 LYS 85 HE2 LYS 85 -6.184 1.702 14.773 583 HE3 LYS 85 HE1 LYS 85 -5.788 3.395 15.078 584 HZ1 LYS 85 HZ1 LYS 85 -7.038 1.672 16.807 585 HZ2 LYS 85 HZ2 LYS 85 -8.280 2.684 16.243 586 HZ3 LYS 85 HZ3 LYS 85 -6.903 3.354 16.978 587 H GLY 86 HN GLY 86 -8.306 3.941 9.160 588 HA2 GLY 86 HA2 GLY 86 -10.122 3.598 7.222 589 HA3 GLY 86 HA1 GLY 86 -11.056 4.618 8.318 590 H TYR 87 HN TYR 87 -9.940 5.151 5.588 591 HA TYR 87 HA TYR 87 -7.747 6.964 5.692 592 HD1 TYR 87 HD1 TYR 87 -6.467 7.539 3.604 593 HD2 TYR 87 HD2 TYR 87 -10.440 9.018 2.913 594 HE1 TYR 87 HE1 TYR 87 -5.526 9.548 2.499 595 HE2 TYR 87 HE2 TYR 87 -9.499 11.031 1.812 596 HH TYR 87 HH TYR 87 -6.071 11.721 1.873 597 HB2 TYR 87 HB2 TYR 87 -8.607 6.039 3.591 598 HB3 TYR 87 HB1 TYR 87 -10.141 6.873 3.829 599 H ASP 88 HN ASP 88 -11.256 7.544 5.938 600 HA ASP 88 HA ASP 88 -10.984 10.402 6.295 601 HB2 ASP 88 HB2 ASP 88 -13.233 8.462 6.880 602 HB3 ASP 88 HB1 ASP 88 -13.377 10.203 7.111 603 H GLU 89 HN GLU 89 -10.873 7.624 8.415 604 HA GLU 89 HA GLU 89 -11.360 9.019 10.893 605 HB2 GLU 89 HB2 GLU 89 -11.490 6.520 10.565 606 HB3 GLU 89 HB1 GLU 89 -9.730 6.501 10.474 607 HG2 GLU 89 HG2 GLU 89 -9.520 7.350 12.716 608 HG3 GLU 89 HG1 GLU 89 -11.254 7.651 12.823 609 H ILE 90 HN ILE 90 -8.381 8.140 9.150 610 HA ILE 90 HA ILE 90 -6.598 9.233 11.135 611 HB ILE 90 HB ILE 90 -4.904 9.143 9.263 612 HG12 ILE 90 HG12 ILE 90 -7.222 7.991 7.705 613 HG13 ILE 90 HG11 ILE 90 -6.588 9.608 7.451 614 HG21 ILE 90 HG21 ILE 90 -6.650 6.731 9.811 615 HG22 ILE 90 HG22 ILE 90 -5.194 7.208 10.681 616 HG23 ILE 90 HG23 ILE 90 -5.078 6.634 9.018 617 HD11 ILE 90 HD11 ILE 90 -5.641 7.972 5.841 618 HD12 ILE 90 HD12 ILE 90 -4.974 7.060 7.195 619 HD13 ILE 90 HD13 ILE 90 -4.400 8.694 6.865 620 H LEU 91 HN LEU 91 -8.155 10.592 8.245 621 HA LEU 91 HA LEU 91 -6.691 13.053 8.204 622 HG LEU 91 HG LEU 91 -7.535 11.285 6.141 623 HB2 LEU 91 HB2 LEU 91 -9.488 12.347 7.303 624 HB3 LEU 91 HB1 LEU 91 -8.758 13.923 7.007 625 HD11 LEU 91 HD11 LEU 91 -8.229 12.203 3.819 626 HD12 LEU 91 HD12 LEU 91 -9.355 13.221 4.711 627 HD13 LEU 91 HD13 LEU 91 -9.476 11.464 4.822 628 HD21 LEU 91 HD21 LEU 91 -6.739 14.172 5.880 629 HD22 LEU 91 HD22 LEU 91 -6.374 13.091 4.538 630 HD23 LEU 91 HD23 LEU 91 -5.730 12.749 6.138 631 H GLU 92 HN GLU 92 -9.679 12.131 9.889 632 HA GLU 92 HA GLU 92 -10.155 14.737 11.022 633 HB2 GLU 92 HB2 GLU 92 -11.016 11.956 11.864 634 HB3 GLU 92 HB1 GLU 92 -11.599 13.432 12.634 635 HG2 GLU 92 HG2 GLU 92 -12.526 14.214 10.511 636 HG3 GLU 92 HG1 GLU 92 -11.865 12.805 9.679 637 H HIS 93 HN HIS 93 -8.384 11.868 12.101 638 HA HIS 93 HA HIS 93 -7.770 12.983 14.715 639 HD1 HIS 93 HD1 HIS 93 -6.928 11.466 16.888 640 HD2 HIS 93 HD2 HIS 93 -4.021 10.469 14.072 641 HE1 HIS 93 HE1 HIS 93 -4.759 11.194 18.164 642 HB2 HIS 93 HB2 HIS 93 -7.847 10.580 14.484 643 HB3 HIS 93 HB1 HIS 93 -6.655 10.619 13.185 644 H HIS 94 HN HIS 94 -6.106 14.292 15.236 645 HA HIS 94 HA HIS 94 -4.015 14.844 13.161 646 HD1 HIS 94 HD1 HIS 94 -7.481 16.430 14.164 647 HD2 HIS 94 HD2 HIS 94 -4.382 17.812 11.740 648 HE1 HIS 94 HE1 HIS 94 -8.570 17.420 12.102 649 HB2 HIS 94 HB2 HIS 94 -5.150 16.577 15.374 650 HB3 HIS 94 HB1 HIS 94 -3.759 17.028 14.387 651 H HIS 95 HN HIS 95 -1.888 14.638 13.737 652 HA HIS 95 HA HIS 95 -1.279 13.219 16.229 653 HD1 HIS 95 HD1 HIS 95 -0.950 13.858 12.131 654 HD2 HIS 95 HD2 HIS 95 2.200 15.627 14.215 655 HE1 HIS 95 HE1 HIS 95 -0.001 15.650 10.613 656 HB2 HIS 95 HB2 HIS 95 1.070 13.266 15.275 657 HB3 HIS 95 HB1 HIS 95 -0.126 12.491 14.237 658 H HIS 96 HN HIS 96 -1.468 16.452 15.232 659 HA HIS 96 HA HIS 96 0.687 17.527 16.853 660 HD1 HIS 96 HD1 HIS 96 2.007 19.106 15.215 661 HD2 HIS 96 HD2 HIS 96 -1.437 18.357 12.988 662 HE1 HIS 96 HE1 HIS 96 2.746 18.894 12.801 663 HB2 HIS 96 HB2 HIS 96 -1.772 18.861 15.686 664 HB3 HIS 96 HB1 HIS 96 -0.403 19.710 16.406 665 H HIS 97 HN HIS 97 0.563 18.416 18.926 666 HA HIS 97 HA HIS 97 -2.032 18.567 20.305 667 HD1 HIS 97 HD1 HIS 97 1.022 16.017 19.341 668 HD2 HIS 97 HD2 HIS 97 1.113 16.890 23.417 669 HE1 HIS 97 HE1 HIS 97 3.370 15.494 20.133 670 HB2 HIS 97 HB2 HIS 97 -1.335 17.083 22.147 671 HB3 HIS 97 HB1 HIS 97 -1.402 16.203 20.621 672 H HIS 98 HN HIS 98 -1.755 19.515 22.504 673 HA HIS 98 HA HIS 98 0.125 21.717 22.429 674 HD1 HIS 98 HD1 HIS 98 -1.248 20.538 26.656 675 HD2 HIS 98 HD2 HIS 98 -3.389 19.489 23.234 676 HE1 HIS 98 HE1 HIS 98 -2.748 18.606 27.312 677 HB2 HIS 98 HB2 HIS 98 -0.813 22.131 24.768 678 HB3 HIS 98 HB1 HIS 98 -1.993 22.126 23.457
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