NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
458782 | 2kr5 | 16624 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -14.366 -2.434 4.494 2 H2 ALA 1 HT2 ALA 1 -13.614 -1.931 3.061 3 H3 ALA 1 HT3 ALA 1 -15.257 -1.612 3.308 4 HA ALA 1 HA ALA 1 -13.044 -0.494 4.928 5 HB1 ALA 1 HB1 ALA 1 -14.766 0.869 2.857 6 HB2 ALA 1 HB2 ALA 1 -13.080 0.403 2.632 7 HB3 ALA 1 HB3 ALA 1 -13.504 1.623 3.833 8 H MET 2 HN MET 2 -13.677 0.369 6.804 9 HA MET 2 HA MET 2 -14.974 0.853 8.594 10 HB2 MET 2 HB2 MET 2 -17.012 1.586 6.484 11 HB3 MET 2 HB1 MET 2 -17.231 1.862 8.209 12 HG2 MET 2 HG2 MET 2 -15.248 3.301 8.219 13 HG3 MET 2 HG1 MET 2 -15.050 3.026 6.490 14 HE1 MET 2 HE1 MET 2 -16.665 3.968 4.636 15 HE2 MET 2 HE2 MET 2 -18.185 4.791 4.986 16 HE3 MET 2 HE3 MET 2 -17.992 3.084 5.386 17 H ALA 3 HN ALA 3 -14.881 -1.325 9.195 18 HA ALA 3 HA ALA 3 -15.628 -3.372 9.772 19 HB1 ALA 3 HB1 ALA 3 -17.977 -3.965 9.707 20 HB2 ALA 3 HB2 ALA 3 -18.339 -2.521 8.761 21 HB3 ALA 3 HB3 ALA 3 -17.755 -2.369 10.420 22 H LYS 4 HN LYS 4 -15.127 -5.148 8.773 23 HA LYS 4 HA LYS 4 -14.581 -6.628 7.151 24 HB2 LYS 4 HB2 LYS 4 -16.909 -6.781 6.575 25 HB3 LYS 4 HB1 LYS 4 -16.827 -5.286 5.653 26 HG2 LYS 4 HG2 LYS 4 -15.264 -6.372 4.085 27 HG3 LYS 4 HG1 LYS 4 -15.454 -7.872 4.987 28 HD2 LYS 4 HD2 LYS 4 -17.795 -7.982 4.439 29 HD3 LYS 4 HD1 LYS 4 -17.724 -6.388 3.681 30 HE2 LYS 4 HE2 LYS 4 -17.688 -8.134 1.989 31 HE3 LYS 4 HE1 LYS 4 -16.165 -7.250 2.003 32 HZ1 LYS 4 HZ1 LYS 4 -15.237 -9.074 3.373 33 HZ2 LYS 4 HZ2 LYS 4 -15.714 -9.571 1.821 34 HZ3 LYS 4 HZ3 LYS 4 -16.686 -9.935 3.159 35 H GLY 5 HN GLY 5 -12.792 -6.621 6.018 36 HA2 GLY 5 HA2 GLY 5 -12.018 -4.180 4.587 37 HA3 GLY 5 HA1 GLY 5 -10.952 -5.517 5.004 38 H VAL 6 HN VAL 6 -10.183 -6.303 3.132 39 HA VAL 6 HA VAL 6 -12.124 -6.944 1.017 40 HB VAL 6 HB VAL 6 -9.247 -6.157 0.592 41 HG11 VAL 6 HG11 VAL 6 -10.058 -7.729 -1.084 42 HG12 VAL 6 HG12 VAL 6 -9.825 -6.128 -1.784 43 HG13 VAL 6 HG13 VAL 6 -11.450 -6.692 -1.393 44 HG21 VAL 6 HG21 VAL 6 -11.776 -4.600 0.095 45 HG22 VAL 6 HG22 VAL 6 -10.169 -4.117 -0.450 46 HG23 VAL 6 HG23 VAL 6 -10.521 -4.224 1.275 47 H GLY 7 HN GLY 7 -8.686 -7.709 1.506 48 HA2 GLY 7 HA2 GLY 7 -7.954 -9.867 2.304 49 HA3 GLY 7 HA1 GLY 7 -9.439 -10.552 1.657 50 H VAL 8 HN VAL 8 -6.175 -9.885 1.073 51 HA VAL 8 HA VAL 8 -6.485 -10.698 -1.739 52 HB VAL 8 HB VAL 8 -4.600 -9.421 -2.384 53 HG11 VAL 8 HG11 VAL 8 -6.136 -7.757 -0.408 54 HG12 VAL 8 HG12 VAL 8 -6.577 -8.064 -2.089 55 HG13 VAL 8 HG13 VAL 8 -5.125 -7.136 -1.713 56 HG21 VAL 8 HG21 VAL 8 -4.008 -8.971 0.538 57 HG22 VAL 8 HG22 VAL 8 -3.145 -8.211 -0.801 58 HG23 VAL 8 HG23 VAL 8 -3.077 -9.962 -0.588 59 H SER 9 HN SER 9 -4.770 -12.079 -2.561 60 HA SER 9 HA SER 9 -3.814 -13.952 -0.582 61 HB2 SER 9 HB2 SER 9 -2.904 -15.128 -2.645 62 HB3 SER 9 HB1 SER 9 -4.654 -14.913 -2.608 63 HG SER 9 HG SER 9 -3.746 -14.349 -4.643 64 H ASN 10 HN ASN 10 -1.452 -14.760 -0.955 65 HA ASN 10 HA ASN 10 0.261 -12.558 -0.349 66 HB2 ASN 10 HB2 ASN 10 1.998 -14.159 -0.042 67 HB3 ASN 10 HB1 ASN 10 0.520 -14.879 0.578 68 HD21 ASN 10 HD21 ASN 10 3.013 -16.090 -0.375 69 HD22 ASN 10 HD22 ASN 10 2.554 -17.199 -1.629 70 H GLU 11 HN GLU 11 -0.688 -14.099 -3.216 71 HA GLU 11 HA GLU 11 1.436 -13.363 -4.930 72 HB2 GLU 11 HB2 GLU 11 -0.106 -14.945 -5.775 73 HB3 GLU 11 HB1 GLU 11 -1.492 -13.963 -5.319 74 HG2 GLU 11 HG2 GLU 11 -0.721 -12.305 -7.073 75 HG3 GLU 11 HG1 GLU 11 0.417 -13.550 -7.598 76 H LYS 12 HN LYS 12 -1.636 -11.785 -4.100 77 HA LYS 12 HA LYS 12 -1.054 -9.377 -5.501 78 HB2 LYS 12 HB2 LYS 12 -3.143 -10.375 -3.722 79 HB3 LYS 12 HB1 LYS 12 -2.804 -8.667 -3.489 80 HG2 LYS 12 HG2 LYS 12 -3.920 -8.140 -5.333 81 HG3 LYS 12 HG1 LYS 12 -2.964 -9.270 -6.294 82 HD2 LYS 12 HD2 LYS 12 -4.442 -11.092 -5.647 83 HD3 LYS 12 HD1 LYS 12 -5.376 -9.991 -4.625 84 HE2 LYS 12 HE2 LYS 12 -6.075 -8.722 -6.553 85 HE3 LYS 12 HE1 LYS 12 -5.020 -9.665 -7.609 86 HZ1 LYS 12 HZ1 LYS 12 -7.364 -10.713 -6.113 87 HZ2 LYS 12 HZ2 LYS 12 -6.346 -11.623 -7.123 88 HZ3 LYS 12 HZ3 LYS 12 -7.306 -10.387 -7.777 89 H LEU 13 HN LEU 13 -0.319 -10.622 -2.355 90 HA LEU 13 HA LEU 13 0.625 -8.211 -1.185 91 HB2 LEU 13 HB2 LEU 13 0.037 -10.395 -0.017 92 HB3 LEU 13 HB1 LEU 13 1.590 -11.005 -0.553 93 HG LEU 13 HG LEU 13 2.188 -8.577 0.675 94 HD11 LEU 13 HD11 LEU 13 0.188 -10.115 2.321 95 HD12 LEU 13 HD12 LEU 13 -0.053 -8.508 1.632 96 HD13 LEU 13 HD13 LEU 13 1.170 -8.758 2.880 97 HD21 LEU 13 HD21 LEU 13 3.534 -10.604 0.731 98 HD22 LEU 13 HD22 LEU 13 2.338 -11.378 1.774 99 HD23 LEU 13 HD23 LEU 13 3.249 -9.986 2.359 100 H ASP 14 HN ASP 14 2.009 -10.493 -3.438 101 HA ASP 14 HA ASP 14 4.698 -9.509 -3.104 102 HB2 ASP 14 HB2 ASP 14 3.625 -11.826 -4.168 103 HB3 ASP 14 HB1 ASP 14 4.127 -10.957 -5.602 104 H ALA 15 HN ALA 15 1.945 -8.876 -5.116 105 HA ALA 15 HA ALA 15 3.393 -7.566 -7.223 106 HB1 ALA 15 HB1 ALA 15 0.430 -7.554 -6.640 107 HB2 ALA 15 HB2 ALA 15 1.263 -8.768 -7.612 108 HB3 ALA 15 HB3 ALA 15 1.201 -7.084 -8.156 109 H VAL 16 HN VAL 16 1.876 -6.621 -4.262 110 HA VAL 16 HA VAL 16 1.617 -3.868 -4.867 111 HB VAL 16 HB VAL 16 0.273 -4.716 -3.102 112 HG11 VAL 16 HG11 VAL 16 1.659 -6.599 -2.441 113 HG12 VAL 16 HG12 VAL 16 1.225 -5.637 -1.030 114 HG13 VAL 16 HG13 VAL 16 2.841 -5.505 -1.722 115 HG21 VAL 16 HG21 VAL 16 2.451 -2.966 -1.935 116 HG22 VAL 16 HG22 VAL 16 0.853 -3.223 -1.225 117 HG23 VAL 16 HG23 VAL 16 1.006 -2.414 -2.784 118 H MET 17 HN MET 17 4.166 -5.789 -3.394 119 HA MET 17 HA MET 17 5.602 -3.675 -2.227 120 HB2 MET 17 HB2 MET 17 6.635 -6.359 -3.196 121 HB3 MET 17 HB1 MET 17 7.468 -5.276 -2.099 122 HG2 MET 17 HG2 MET 17 5.749 -5.551 -0.439 123 HG3 MET 17 HG1 MET 17 4.811 -6.540 -1.551 124 HE1 MET 17 HE1 MET 17 8.875 -7.858 0.198 125 HE2 MET 17 HE2 MET 17 8.112 -6.309 0.572 126 HE3 MET 17 HE3 MET 17 8.724 -6.624 -1.051 127 H ARG 18 HN ARG 18 5.599 -4.949 -5.503 128 HA ARG 18 HA ARG 18 8.005 -3.574 -6.213 129 HB2 ARG 18 HB2 ARG 18 7.606 -4.294 -8.469 130 HB3 ARG 18 HB1 ARG 18 7.373 -5.634 -7.355 131 HG2 ARG 18 HG2 ARG 18 4.984 -5.413 -7.526 132 HG3 ARG 18 HG1 ARG 18 5.160 -3.976 -8.539 133 HD2 ARG 18 HD2 ARG 18 6.318 -5.337 -10.231 134 HD3 ARG 18 HD1 ARG 18 6.097 -6.759 -9.218 135 HE ARG 18 HE ARG 18 3.577 -5.691 -9.644 136 HH11 ARG 18 HH11 ARG 18 6.163 -7.076 -11.568 137 HH12 ARG 18 HH12 ARG 18 5.093 -7.651 -12.815 138 HH21 ARG 18 HH21 ARG 18 2.166 -6.469 -11.281 139 HH22 ARG 18 HH22 ARG 18 2.823 -7.319 -12.646 140 H VAL 19 HN VAL 19 4.596 -2.838 -6.254 141 HA VAL 19 HA VAL 19 4.875 -0.547 -7.960 142 HB VAL 19 HB VAL 19 2.685 -1.422 -6.052 143 HG11 VAL 19 HG11 VAL 19 2.866 1.069 -7.733 144 HG12 VAL 19 HG12 VAL 19 2.595 0.942 -6.000 145 HG13 VAL 19 HG13 VAL 19 1.342 0.420 -7.129 146 HG21 VAL 19 HG21 VAL 19 2.980 -2.712 -8.142 147 HG22 VAL 19 HG22 VAL 19 2.754 -1.223 -9.067 148 HG23 VAL 19 HG23 VAL 19 1.437 -1.856 -8.084 149 H VAL 20 HN VAL 20 4.891 -1.254 -4.564 150 HA VAL 20 HA VAL 20 5.155 1.389 -3.604 151 HB VAL 20 HB VAL 20 5.774 -1.338 -2.463 152 HG11 VAL 20 HG11 VAL 20 6.290 1.279 -1.043 153 HG12 VAL 20 HG12 VAL 20 7.532 0.167 -1.620 154 HG13 VAL 20 HG13 VAL 20 6.422 -0.338 -0.344 155 HG21 VAL 20 HG21 VAL 20 3.859 0.872 -1.700 156 HG22 VAL 20 HG22 VAL 20 4.045 -0.655 -0.835 157 HG23 VAL 20 HG23 VAL 20 3.452 -0.651 -2.494 158 H SER 21 HN SER 21 7.548 -1.072 -4.559 159 HA SER 21 HA SER 21 9.841 0.252 -3.663 160 HB2 SER 21 HB2 SER 21 11.078 -1.118 -5.277 161 HB3 SER 21 HB1 SER 21 9.842 -2.103 -4.501 162 HG SER 21 HG SER 21 8.538 -1.582 -6.419 163 H GLU 22 HN GLU 22 8.313 0.343 -6.826 164 HA GLU 22 HA GLU 22 9.968 2.127 -8.127 165 HB2 GLU 22 HB2 GLU 22 6.994 1.695 -8.411 166 HB3 GLU 22 HB1 GLU 22 7.965 2.624 -9.553 167 HG2 GLU 22 HG2 GLU 22 9.339 0.596 -9.948 168 HG3 GLU 22 HG1 GLU 22 8.236 -0.305 -8.908 169 H GLU 23 HN GLU 23 7.010 2.935 -6.304 170 HA GLU 23 HA GLU 23 7.369 5.717 -6.959 171 HB2 GLU 23 HB2 GLU 23 5.270 4.350 -5.264 172 HB3 GLU 23 HB1 GLU 23 5.237 6.039 -5.712 173 HG2 GLU 23 HG2 GLU 23 5.077 3.686 -7.580 174 HG3 GLU 23 HG1 GLU 23 3.782 4.809 -7.174 175 H SER 24 HN SER 24 8.324 3.716 -4.342 176 HA SER 24 HA SER 24 8.529 5.972 -2.517 177 HB2 SER 24 HB2 SER 24 9.389 4.338 -0.898 178 HB3 SER 24 HB1 SER 24 7.850 3.817 -1.577 179 HG SER 24 HG SER 24 8.834 2.258 -2.699 180 H GLY 25 HN GLY 25 10.551 3.890 -4.477 181 HA2 GLY 25 HA2 GLY 25 12.650 4.636 -5.388 182 HA3 GLY 25 HA1 GLY 25 12.811 5.732 -4.018 183 H ILE 26 HN ILE 26 11.692 2.923 -2.762 184 HA ILE 26 HA ILE 26 14.366 2.153 -1.868 185 HB ILE 26 HB ILE 26 11.854 0.844 -0.893 186 HG12 ILE 26 HG12 ILE 26 12.895 3.397 0.356 187 HG13 ILE 26 HG11 ILE 26 11.630 3.419 -0.882 188 HG21 ILE 26 HG21 ILE 26 13.975 -0.050 -0.164 189 HG22 ILE 26 HG22 ILE 26 13.147 0.704 1.199 190 HG23 ILE 26 HG23 ILE 26 14.483 1.541 0.405 191 HD11 ILE 26 HD11 ILE 26 10.180 2.112 0.538 192 HD12 ILE 26 HD12 ILE 26 10.762 3.518 1.432 193 HD13 ILE 26 HD13 ILE 26 11.462 1.927 1.733 194 H ALA 27 HN ALA 27 15.370 0.479 -2.784 195 HA ALA 27 HA ALA 27 14.339 -1.130 -4.790 196 HB1 ALA 27 HB1 ALA 27 16.550 -1.838 -2.864 197 HB2 ALA 27 HB2 ALA 27 16.742 -0.823 -4.293 198 HB3 ALA 27 HB3 ALA 27 16.292 -2.518 -4.470 199 H LEU 28 HN LEU 28 13.419 -3.126 -4.881 200 HA LEU 28 HA LEU 28 11.610 -3.902 -2.926 201 HB2 LEU 28 HB2 LEU 28 11.409 -4.594 -5.228 202 HB3 LEU 28 HB1 LEU 28 12.909 -5.491 -5.141 203 HG LEU 28 HG LEU 28 11.749 -6.983 -3.429 204 HD11 LEU 28 HD11 LEU 28 9.871 -5.548 -2.881 205 HD12 LEU 28 HD12 LEU 28 9.296 -7.057 -3.586 206 HD13 LEU 28 HD13 LEU 28 9.326 -5.586 -4.558 207 HD21 LEU 28 HD21 LEU 28 10.730 -6.903 -6.263 208 HD22 LEU 28 HD22 LEU 28 10.669 -8.298 -5.183 209 HD23 LEU 28 HD23 LEU 28 12.226 -7.656 -5.715 210 H GLU 29 HN GLU 29 14.962 -4.845 -3.356 211 HA GLU 29 HA GLU 29 14.864 -7.080 -1.573 212 HB2 GLU 29 HB2 GLU 29 17.317 -5.573 -2.458 213 HB3 GLU 29 HB1 GLU 29 17.207 -7.242 -1.909 214 HG2 GLU 29 HG2 GLU 29 15.805 -6.262 -4.373 215 HG3 GLU 29 HG1 GLU 29 17.454 -6.891 -4.407 216 H GLU 30 HN GLU 30 14.876 -3.757 -1.059 217 HA GLU 30 HA GLU 30 16.110 -4.048 1.605 218 HB2 GLU 30 HB2 GLU 30 15.545 -1.471 0.141 219 HB3 GLU 30 HB1 GLU 30 16.465 -1.676 1.625 220 HG2 GLU 30 HG2 GLU 30 17.264 -2.510 -1.139 221 HG3 GLU 30 HG1 GLU 30 17.961 -1.224 -0.168 222 H LEU 31 HN LEU 31 13.205 -4.021 0.095 223 HA LEU 31 HA LEU 31 11.769 -2.250 1.817 224 HB2 LEU 31 HB2 LEU 31 11.052 -2.845 -0.499 225 HB3 LEU 31 HB1 LEU 31 10.682 -4.468 0.063 226 HG LEU 31 HG LEU 31 9.006 -3.510 1.619 227 HD11 LEU 31 HD11 LEU 31 9.667 -0.926 0.213 228 HD12 LEU 31 HD12 LEU 31 9.953 -1.302 1.912 229 HD13 LEU 31 HD13 LEU 31 8.301 -1.175 1.303 230 HD21 LEU 31 HD21 LEU 31 8.666 -2.799 -1.289 231 HD22 LEU 31 HD22 LEU 31 7.360 -2.924 -0.112 232 HD23 LEU 31 HD23 LEU 31 8.301 -4.352 -0.539 233 H THR 32 HN THR 32 11.937 -2.733 3.891 234 HA THR 32 HA THR 32 10.984 -5.379 4.775 235 HB THR 32 HB THR 32 12.456 -5.217 6.714 236 HG1 THR 32 HG1 THR 32 13.643 -3.418 7.140 237 HG21 THR 32 HG21 THR 32 13.504 -6.197 4.728 238 HG22 THR 32 HG22 THR 32 14.687 -5.269 5.648 239 HG23 THR 32 HG23 THR 32 13.991 -4.593 4.174 240 H ASP 33 HN ASP 33 9.965 -5.262 7.005 241 HA ASP 33 HA ASP 33 7.924 -3.286 7.002 242 HB2 ASP 33 HB2 ASP 33 7.214 -4.276 9.120 243 HB3 ASP 33 HB1 ASP 33 7.599 -5.532 7.948 244 H ASP 34 HN ASP 34 11.094 -3.141 8.048 245 HA ASP 34 HA ASP 34 10.813 -1.262 10.187 246 HB2 ASP 34 HB2 ASP 34 13.196 -1.892 8.423 247 HB3 ASP 34 HB1 ASP 34 13.249 -0.880 9.865 248 H SER 35 HN SER 35 10.653 -1.089 6.772 249 HA SER 35 HA SER 35 11.560 1.615 6.479 250 HB2 SER 35 HB2 SER 35 9.770 0.008 4.639 251 HB3 SER 35 HB1 SER 35 10.696 1.445 4.205 252 HG SER 35 HG SER 35 12.282 -0.450 5.321 253 H ASN 36 HN ASN 36 10.349 3.488 6.280 254 HA ASN 36 HA ASN 36 7.552 3.274 7.183 255 HB2 ASN 36 HB2 ASN 36 8.996 3.896 9.093 256 HB3 ASN 36 HB1 ASN 36 9.613 5.265 8.178 257 HD21 ASN 36 HD21 ASN 36 6.266 4.251 8.065 258 HD22 ASN 36 HD22 ASN 36 5.636 5.625 8.912 259 H PHE 37 HN PHE 37 6.254 4.187 5.728 260 HA PHE 37 HA PHE 37 7.160 5.429 3.423 261 HB2 PHE 37 HB2 PHE 37 4.469 5.312 4.744 262 HB3 PHE 37 HB1 PHE 37 4.711 6.206 3.240 263 HD1 PHE 37 HD1 PHE 37 5.943 4.872 1.326 264 HD2 PHE 37 HD2 PHE 37 3.945 3.113 4.650 265 HE1 PHE 37 HE1 PHE 37 5.678 2.770 0.053 266 HE2 PHE 37 HE2 PHE 37 3.684 1.029 3.405 267 HZ PHE 37 HZ PHE 37 4.772 0.863 1.034 268 H ALA 38 HN ALA 38 6.012 6.877 6.446 269 HA ALA 38 HA ALA 38 6.136 9.559 5.451 270 HB1 ALA 38 HB1 ALA 38 4.658 8.864 7.290 271 HB2 ALA 38 HB2 ALA 38 5.699 10.223 7.722 272 HB3 ALA 38 HB3 ALA 38 6.080 8.599 8.301 273 H ASP 39 HN ASP 39 8.367 7.382 6.996 274 HA ASP 39 HA ASP 39 10.258 9.390 7.771 275 HB2 ASP 39 HB2 ASP 39 10.183 7.229 8.941 276 HB3 ASP 39 HB1 ASP 39 10.610 6.399 7.444 277 H MET 40 HN MET 40 9.659 7.433 4.990 278 HA MET 40 HA MET 40 12.193 8.035 3.735 279 HB2 MET 40 HB2 MET 40 9.776 6.458 2.966 280 HB3 MET 40 HB1 MET 40 10.819 7.049 1.680 281 HG2 MET 40 HG2 MET 40 11.404 4.788 2.296 282 HG3 MET 40 HG1 MET 40 12.723 5.892 2.662 283 HE1 MET 40 HE1 MET 40 12.749 3.002 3.779 284 HE2 MET 40 HE2 MET 40 13.136 3.235 5.482 285 HE3 MET 40 HE3 MET 40 13.963 4.190 4.249 286 H GLY 41 HN GLY 41 9.214 9.575 4.064 287 HA2 GLY 41 HA2 GLY 41 8.776 11.801 3.392 288 HA3 GLY 41 HA1 GLY 41 10.142 11.703 2.283 289 H ILE 42 HN ILE 42 7.372 9.526 2.553 290 HA ILE 42 HA ILE 42 6.849 9.719 -0.262 291 HB ILE 42 HB ILE 42 5.313 8.378 1.987 292 HG12 ILE 42 HG12 ILE 42 7.583 7.504 1.354 293 HG13 ILE 42 HG11 ILE 42 6.271 6.337 1.157 294 HG21 ILE 42 HG21 ILE 42 4.786 8.302 -0.982 295 HG22 ILE 42 HG22 ILE 42 3.720 8.944 0.271 296 HG23 ILE 42 HG23 ILE 42 4.059 7.215 0.199 297 HD11 ILE 42 HD11 ILE 42 6.246 6.885 -1.265 298 HD12 ILE 42 HD12 ILE 42 7.762 6.178 -0.709 299 HD13 ILE 42 HD13 ILE 42 7.652 7.915 -1.001 300 H ASP 43 HN ASP 43 6.015 11.519 -1.059 301 HA ASP 43 HA ASP 43 4.416 13.297 0.562 302 HB2 ASP 43 HB2 ASP 43 5.340 13.426 -2.305 303 HB3 ASP 43 HB1 ASP 43 4.303 14.649 -1.586 304 H SER 44 HN SER 44 2.525 14.353 -0.569 305 HA SER 44 HA SER 44 0.325 12.708 -0.697 306 HB2 SER 44 HB2 SER 44 0.086 15.038 -0.304 307 HB3 SER 44 HB1 SER 44 0.866 15.450 -1.826 308 H LEU 45 HN LEU 45 2.316 13.929 -3.345 309 HA LEU 45 HA LEU 45 0.823 12.981 -5.502 310 HB2 LEU 45 HB2 LEU 45 2.832 14.568 -5.487 311 HB3 LEU 45 HB1 LEU 45 3.844 13.148 -5.386 312 HG LEU 45 HG LEU 45 3.625 14.174 -7.663 313 HD11 LEU 45 HD11 LEU 45 4.380 11.870 -7.360 314 HD12 LEU 45 HD12 LEU 45 3.455 12.072 -8.849 315 HD13 LEU 45 HD13 LEU 45 2.707 11.317 -7.443 316 HD21 LEU 45 HD21 LEU 45 1.276 14.767 -7.589 317 HD22 LEU 45 HD22 LEU 45 0.829 13.063 -7.496 318 HD23 LEU 45 HD23 LEU 45 1.600 13.694 -8.950 319 H SER 46 HN SER 46 3.720 11.458 -4.044 320 HA SER 46 HA SER 46 3.577 9.126 -5.583 321 HB2 SER 46 HB2 SER 46 5.656 9.743 -4.528 322 HB3 SER 46 HB1 SER 46 4.923 9.655 -2.926 323 HG SER 46 HG SER 46 6.149 7.732 -4.236 324 H SER 47 HN SER 47 2.407 9.774 -2.294 325 HA SER 47 HA SER 47 1.657 7.128 -1.738 326 HB2 SER 47 HB2 SER 47 0.241 8.146 0.062 327 HB3 SER 47 HB1 SER 47 1.917 8.688 0.069 328 HG SER 47 HG SER 47 1.312 10.637 -0.712 329 H MET 48 HN MET 48 0.043 9.648 -3.507 330 HA MET 48 HA MET 48 -2.520 8.332 -3.517 331 HB2 MET 48 HB2 MET 48 -2.204 10.827 -3.784 332 HB3 MET 48 HB1 MET 48 -1.501 10.517 -5.354 333 HG2 MET 48 HG2 MET 48 -3.697 9.377 -5.944 334 HG3 MET 48 HG1 MET 48 -4.356 10.144 -4.499 335 HE1 MET 48 HE1 MET 48 -5.657 10.608 -7.322 336 HE2 MET 48 HE2 MET 48 -5.913 12.351 -7.285 337 HE3 MET 48 HE3 MET 48 -6.216 11.383 -5.841 338 H VAL 49 HN VAL 49 0.261 8.642 -5.617 339 HA VAL 49 HA VAL 49 -0.848 7.475 -7.935 340 HB VAL 49 HB VAL 49 2.005 7.793 -6.952 341 HG11 VAL 49 HG11 VAL 49 2.798 7.098 -9.139 342 HG12 VAL 49 HG12 VAL 49 1.149 6.756 -9.660 343 HG13 VAL 49 HG13 VAL 49 1.888 5.792 -8.381 344 HG21 VAL 49 HG21 VAL 49 0.483 9.149 -9.192 345 HG22 VAL 49 HG22 VAL 49 2.159 9.458 -8.743 346 HG23 VAL 49 HG23 VAL 49 0.861 9.855 -7.621 347 H ILE 50 HN ILE 50 0.944 6.146 -5.192 348 HA ILE 50 HA ILE 50 1.224 3.535 -6.060 349 HB ILE 50 HB ILE 50 0.787 4.515 -3.241 350 HG12 ILE 50 HG12 ILE 50 3.338 3.942 -4.763 351 HG13 ILE 50 HG11 ILE 50 2.703 5.547 -4.424 352 HG21 ILE 50 HG21 ILE 50 1.914 2.444 -2.561 353 HG22 ILE 50 HG22 ILE 50 1.930 1.913 -4.242 354 HG23 ILE 50 HG23 ILE 50 0.395 2.125 -3.400 355 HD11 ILE 50 HD11 ILE 50 4.505 4.959 -2.902 356 HD12 ILE 50 HD12 ILE 50 3.603 3.536 -2.375 357 HD13 ILE 50 HD13 ILE 50 2.979 5.148 -2.035 358 H GLY 51 HN GLY 51 -1.373 4.805 -3.938 359 HA2 GLY 51 HA2 GLY 51 -2.878 2.403 -3.990 360 HA3 GLY 51 HA1 GLY 51 -3.485 3.975 -3.499 361 H SER 52 HN SER 52 -2.712 5.094 -6.181 362 HA SER 52 HA SER 52 -5.118 4.529 -7.593 363 HB2 SER 52 HB2 SER 52 -3.358 6.586 -7.703 364 HB3 SER 52 HB1 SER 52 -2.870 5.681 -9.141 365 HG SER 52 HG SER 52 -4.470 6.719 -10.019 366 H ARG 53 HN ARG 53 -1.720 3.583 -8.095 367 HA ARG 53 HA ARG 53 -2.120 2.032 -10.404 368 HB2 ARG 53 HB2 ARG 53 -0.074 1.756 -8.215 369 HB3 ARG 53 HB1 ARG 53 -0.040 0.829 -9.706 370 HG2 ARG 53 HG2 ARG 53 -0.049 3.120 -10.867 371 HG3 ARG 53 HG1 ARG 53 0.430 3.747 -9.289 372 HD2 ARG 53 HD2 ARG 53 2.520 3.297 -10.124 373 HD3 ARG 53 HD1 ARG 53 2.108 1.739 -9.410 374 HE ARG 53 HE ARG 53 1.295 1.856 -12.146 375 HH11 ARG 53 HH11 ARG 53 4.054 1.423 -10.035 376 HH12 ARG 53 HH12 ARG 53 4.890 0.336 -11.098 377 HH21 ARG 53 HH21 ARG 53 2.372 0.405 -13.564 378 HH22 ARG 53 HH22 ARG 53 3.929 -0.233 -13.127 379 H PHE 54 HN PHE 54 -2.523 1.337 -7.002 380 HA PHE 54 HA PHE 54 -2.826 -1.430 -7.039 381 HB2 PHE 54 HB2 PHE 54 -4.257 0.712 -5.452 382 HB3 PHE 54 HB1 PHE 54 -4.565 -0.999 -5.212 383 HD1 PHE 54 HD1 PHE 54 -1.212 -0.990 -5.980 384 HD2 PHE 54 HD2 PHE 54 -3.885 0.287 -2.915 385 HE1 PHE 54 HE1 PHE 54 0.601 -1.111 -4.326 386 HE2 PHE 54 HE2 PHE 54 -2.074 0.153 -1.272 387 HZ PHE 54 HZ PHE 54 0.171 -0.552 -1.977 388 H ARG 55 HN ARG 55 -5.075 1.118 -7.975 389 HA ARG 55 HA ARG 55 -7.270 -0.719 -8.299 390 HB2 ARG 55 HB2 ARG 55 -7.126 2.173 -9.170 391 HB3 ARG 55 HB1 ARG 55 -8.567 1.214 -8.891 392 HG2 ARG 55 HG2 ARG 55 -8.099 1.126 -6.525 393 HG3 ARG 55 HG1 ARG 55 -6.578 1.982 -6.770 394 HD2 ARG 55 HD2 ARG 55 -9.309 3.080 -7.412 395 HD3 ARG 55 HD1 ARG 55 -8.383 3.454 -5.959 396 HE ARG 55 HE ARG 55 -6.646 4.203 -7.784 397 HH11 ARG 55 HH11 ARG 55 -10.099 4.689 -7.768 398 HH12 ARG 55 HH12 ARG 55 -10.035 6.195 -8.635 399 HH21 ARG 55 HH21 ARG 55 -6.528 6.174 -8.957 400 HH22 ARG 55 HH22 ARG 55 -8.000 7.018 -9.346 401 H GLU 56 HN GLU 56 -4.934 0.915 -10.378 402 HA GLU 56 HA GLU 56 -6.431 0.188 -12.750 403 HB2 GLU 56 HB2 GLU 56 -3.869 1.732 -12.399 404 HB3 GLU 56 HB1 GLU 56 -4.631 1.427 -13.954 405 HG2 GLU 56 HG2 GLU 56 -6.682 2.567 -13.036 406 HG3 GLU 56 HG1 GLU 56 -5.690 3.057 -11.663 407 H ASP 57 HN ASP 57 -3.203 -0.422 -11.425 408 HA ASP 57 HA ASP 57 -2.531 -2.191 -13.599 409 HB2 ASP 57 HB2 ASP 57 -1.036 -1.412 -11.085 410 HB3 ASP 57 HB1 ASP 57 -0.389 -2.504 -12.305 411 H LEU 58 HN LEU 58 -3.288 -2.517 -10.167 412 HA LEU 58 HA LEU 58 -3.043 -5.425 -10.393 413 HB2 LEU 58 HB2 LEU 58 -3.065 -3.489 -8.127 414 HB3 LEU 58 HB1 LEU 58 -3.687 -5.101 -7.820 415 HG LEU 58 HG LEU 58 -1.535 -6.065 -8.542 416 HD11 LEU 58 HD11 LEU 58 -0.553 -3.221 -8.678 417 HD12 LEU 58 HD12 LEU 58 -0.844 -4.262 -10.070 418 HD13 LEU 58 HD13 LEU 58 0.405 -4.688 -8.902 419 HD21 LEU 58 HD21 LEU 58 -0.229 -5.332 -6.599 420 HD22 LEU 58 HD22 LEU 58 -1.918 -5.636 -6.193 421 HD23 LEU 58 HD23 LEU 58 -1.339 -3.978 -6.379 422 H GLY 59 HN GLY 59 -5.461 -2.937 -9.859 423 HA2 GLY 59 HA2 GLY 59 -7.733 -3.163 -10.408 424 HA3 GLY 59 HA1 GLY 59 -7.514 -4.907 -10.479 425 H LEU 60 HN LEU 60 -6.520 -2.861 -7.812 426 HA LEU 60 HA LEU 60 -8.110 -4.440 -5.982 427 HB2 LEU 60 HB2 LEU 60 -6.215 -2.152 -5.448 428 HB3 LEU 60 HB1 LEU 60 -6.944 -3.178 -4.228 429 HG LEU 60 HG LEU 60 -4.956 -4.046 -6.327 430 HD11 LEU 60 HD11 LEU 60 -4.711 -3.745 -3.335 431 HD12 LEU 60 HD12 LEU 60 -3.967 -2.709 -4.552 432 HD13 LEU 60 HD13 LEU 60 -3.474 -4.397 -4.406 433 HD21 LEU 60 HD21 LEU 60 -4.993 -6.209 -5.239 434 HD22 LEU 60 HD22 LEU 60 -6.608 -5.797 -5.811 435 HD23 LEU 60 HD23 LEU 60 -6.213 -5.644 -4.099 436 H ASP 61 HN ASP 61 -9.996 -3.798 -5.065 437 HA ASP 61 HA ASP 61 -11.077 -1.194 -5.775 438 HB2 ASP 61 HB2 ASP 61 -12.306 -3.574 -4.361 439 HB3 ASP 61 HB1 ASP 61 -13.162 -2.066 -4.675 440 H LEU 62 HN LEU 62 -8.983 -0.833 -4.206 441 HA LEU 62 HA LEU 62 -9.350 -1.045 -1.425 442 HB2 LEU 62 HB2 LEU 62 -7.267 -0.478 -3.059 443 HB3 LEU 62 HB1 LEU 62 -7.623 1.119 -2.445 444 HG LEU 62 HG LEU 62 -5.911 0.205 -1.075 445 HD11 LEU 62 HD11 LEU 62 -7.586 1.425 0.182 446 HD12 LEU 62 HD12 LEU 62 -6.952 0.088 1.141 447 HD13 LEU 62 HD13 LEU 62 -8.538 -0.047 0.381 448 HD21 LEU 62 HD21 LEU 62 -6.207 -2.133 -1.687 449 HD22 LEU 62 HD22 LEU 62 -7.668 -2.213 -0.703 450 HD23 LEU 62 HD23 LEU 62 -6.104 -1.933 0.063 451 H GLY 63 HN GLY 63 -9.423 1.863 -3.498 452 HA2 GLY 63 HA2 GLY 63 -11.737 2.989 -2.527 453 HA3 GLY 63 HA1 GLY 63 -10.448 3.559 -1.474 454 HA PRO 64 HA PRO 64 -10.655 5.994 -5.514 455 HB2 PRO 64 HB2 PRO 64 -11.916 8.257 -4.731 456 HB3 PRO 64 HB1 PRO 64 -12.784 6.824 -5.333 457 HG2 PRO 64 HG2 PRO 64 -12.378 7.775 -2.537 458 HG3 PRO 64 HG1 PRO 64 -13.795 7.002 -3.262 459 HD2 PRO 64 HD2 PRO 64 -11.924 5.727 -1.671 460 HD3 PRO 64 HD1 PRO 64 -12.997 4.909 -2.824 461 H GLU 65 HN GLU 65 -10.037 7.202 -2.208 462 HA GLU 65 HA GLU 65 -7.763 8.714 -3.296 463 HB2 GLU 65 HB2 GLU 65 -9.760 9.671 -1.231 464 HB3 GLU 65 HB1 GLU 65 -8.256 10.501 -1.606 465 HG2 GLU 65 HG2 GLU 65 -9.009 10.872 -3.893 466 HG3 GLU 65 HG1 GLU 65 -10.500 9.996 -3.552 467 H PHE 66 HN PHE 66 -7.514 6.206 -2.322 468 HA PHE 66 HA PHE 66 -6.803 6.157 0.449 469 HB2 PHE 66 HB2 PHE 66 -7.524 4.114 -0.641 470 HB3 PHE 66 HB1 PHE 66 -6.266 4.268 -1.857 471 HD1 PHE 66 HD2 PHE 66 -6.848 3.681 1.741 472 HD2 PHE 66 HD1 PHE 66 -4.163 3.270 -1.532 473 HE1 PHE 66 HE2 PHE 66 -5.378 2.291 3.124 474 HE2 PHE 66 HE1 PHE 66 -2.692 1.877 -0.151 475 HZ PHE 66 HZ PHE 66 -3.306 1.285 2.094 476 H SER 67 HN SER 67 -5.098 7.192 1.229 477 HA SER 67 HA SER 67 -2.727 7.484 -0.490 478 HB2 SER 67 HB2 SER 67 -2.321 9.606 0.851 479 HB3 SER 67 HB1 SER 67 -3.709 9.645 -0.240 480 HG SER 67 HG SER 67 -4.991 9.841 1.417 481 H LEU 68 HN LEU 68 -0.881 6.711 0.255 482 HA LEU 68 HA LEU 68 -0.771 5.335 2.764 483 HB2 LEU 68 HB2 LEU 68 1.445 5.940 0.819 484 HB3 LEU 68 HB1 LEU 68 1.510 4.781 2.131 485 HG LEU 68 HG LEU 68 -0.225 4.606 -0.326 486 HD11 LEU 68 HD11 LEU 68 2.062 4.122 -0.816 487 HD12 LEU 68 HD12 LEU 68 1.175 2.597 -0.733 488 HD13 LEU 68 HD13 LEU 68 2.197 3.096 0.614 489 HD21 LEU 68 HD21 LEU 68 -0.813 2.371 0.543 490 HD22 LEU 68 HD22 LEU 68 -1.402 3.680 1.570 491 HD23 LEU 68 HD23 LEU 68 0.026 2.763 2.044 492 H PHE 69 HN PHE 69 -0.637 8.506 2.212 493 HA PHE 69 HA PHE 69 1.654 9.106 3.872 494 HB2 PHE 69 HB2 PHE 69 1.050 10.324 1.693 495 HB3 PHE 69 HB1 PHE 69 -0.255 11.080 2.600 496 HD1 PHE 69 HD1 PHE 69 2.576 10.516 4.672 497 HD2 PHE 69 HD2 PHE 69 0.995 13.126 1.707 498 HE1 PHE 69 HE1 PHE 69 4.118 12.286 5.417 499 HE2 PHE 69 HE2 PHE 69 2.529 14.905 2.449 500 HZ PHE 69 HZ PHE 69 4.099 14.481 4.304 501 H ILE 70 HN ILE 70 -1.719 8.655 4.135 502 HA ILE 70 HA ILE 70 -1.698 9.898 6.810 503 HB ILE 70 HB ILE 70 -3.958 10.139 4.791 504 HG12 ILE 70 HG12 ILE 70 -2.134 12.219 6.011 505 HG13 ILE 70 HG11 ILE 70 -2.113 11.668 4.342 506 HG21 ILE 70 HG21 ILE 70 -5.144 11.428 6.457 507 HG22 ILE 70 HG22 ILE 70 -3.835 11.195 7.616 508 HG23 ILE 70 HG23 ILE 70 -4.792 9.814 7.075 509 HD11 ILE 70 HD11 ILE 70 -4.365 13.154 5.677 510 HD12 ILE 70 HD12 ILE 70 -4.363 12.570 4.013 511 HD13 ILE 70 HD13 ILE 70 -3.217 13.815 4.510 512 H ASP 71 HN ASP 71 -3.016 7.466 4.634 513 HA ASP 71 HA ASP 71 -4.679 6.382 6.790 514 HB2 ASP 71 HB2 ASP 71 -5.298 6.810 4.224 515 HB3 ASP 71 HB1 ASP 71 -4.705 5.163 4.083 516 H CYS 72 HN CYS 72 -1.648 6.040 5.706 517 HA CYS 72 HA CYS 72 -1.348 3.416 6.892 518 HB2 CYS 72 HB2 CYS 72 -0.433 4.046 4.077 519 HB3 CYS 72 HB1 CYS 72 0.105 2.647 4.998 520 HG CYS 72 HG CYS 72 -3.186 2.733 4.969 521 H THR 73 HN THR 73 0.938 2.983 7.393 522 HA THR 73 HA THR 73 2.472 5.486 7.608 523 HB THR 73 HB THR 73 3.019 4.838 9.947 524 HG1 THR 73 HG1 THR 73 0.932 3.088 10.225 525 HG21 THR 73 HG21 THR 73 0.105 5.093 9.216 526 HG22 THR 73 HG22 THR 73 1.226 6.394 9.641 527 HG23 THR 73 HG23 THR 73 0.716 5.234 10.868 528 H THR 74 HN THR 74 3.042 2.126 8.730 529 HA THR 74 HA THR 74 5.666 2.209 7.468 530 HB THR 74 HB THR 74 6.090 0.079 8.615 531 HG1 THR 74 HG1 THR 74 4.470 -0.807 9.955 532 HG21 THR 74 HG21 THR 74 4.842 2.143 10.436 533 HG22 THR 74 HG22 THR 74 6.485 2.208 9.796 534 HG23 THR 74 HG23 THR 74 6.021 0.918 10.909 535 H VAL 75 HN VAL 75 6.150 -0.390 6.776 536 HA VAL 75 HA VAL 75 4.732 -0.530 4.279 537 HB VAL 75 HB VAL 75 6.552 -2.712 5.162 538 HG11 VAL 75 HG11 VAL 75 6.098 -1.260 2.564 539 HG12 VAL 75 HG12 VAL 75 5.567 -2.890 2.986 540 HG13 VAL 75 HG13 VAL 75 7.287 -2.540 2.800 541 HG21 VAL 75 HG21 VAL 75 7.468 0.061 4.431 542 HG22 VAL 75 HG22 VAL 75 8.508 -1.365 4.441 543 HG23 VAL 75 HG23 VAL 75 7.765 -0.806 5.939 544 H ARG 76 HN ARG 76 5.088 -2.517 7.183 545 HA ARG 76 HA ARG 76 3.433 -4.623 6.417 546 HB2 ARG 76 HB2 ARG 76 4.863 -4.786 8.370 547 HB3 ARG 76 HB1 ARG 76 3.940 -3.522 9.180 548 HG2 ARG 76 HG2 ARG 76 1.996 -4.949 9.281 549 HG3 ARG 76 HG1 ARG 76 2.814 -6.186 8.329 550 HD2 ARG 76 HD2 ARG 76 3.734 -5.221 11.022 551 HD3 ARG 76 HD1 ARG 76 2.747 -6.659 10.769 552 HE ARG 76 HE ARG 76 4.711 -7.363 9.272 553 HH11 ARG 76 HH11 ARG 76 5.042 -5.464 12.188 554 HH12 ARG 76 HH12 ARG 76 6.621 -6.084 12.561 555 HH21 ARG 76 HH21 ARG 76 6.776 -8.187 9.760 556 HH22 ARG 76 HH22 ARG 76 7.607 -7.619 11.183 557 H ALA 77 HN ALA 77 2.660 -1.466 7.732 558 HA ALA 77 HA ALA 77 -0.003 -1.838 8.426 559 HB1 ALA 77 HB1 ALA 77 1.227 0.213 8.930 560 HB2 ALA 77 HB2 ALA 77 -0.288 0.564 8.099 561 HB3 ALA 77 HB3 ALA 77 1.238 0.638 7.218 562 H LEU 78 HN LEU 78 1.432 -1.279 5.256 563 HA LEU 78 HA LEU 78 -1.053 -1.015 3.844 564 HB2 LEU 78 HB2 LEU 78 1.556 -0.483 3.288 565 HB3 LEU 78 HB1 LEU 78 1.351 -1.995 2.436 566 HG LEU 78 HG LEU 78 -0.446 0.375 1.998 567 HD11 LEU 78 HD11 LEU 78 0.977 0.749 -0.018 568 HD12 LEU 78 HD12 LEU 78 2.135 -0.400 0.660 569 HD13 LEU 78 HD13 LEU 78 1.772 1.098 1.515 570 HD21 LEU 78 HD21 LEU 78 -1.335 -1.739 1.182 571 HD22 LEU 78 HD22 LEU 78 0.171 -2.049 0.317 572 HD23 LEU 78 HD23 LEU 78 -0.857 -0.697 -0.159 573 H LYS 79 HN LYS 79 1.314 -3.534 4.391 574 HA LYS 79 HA LYS 79 0.287 -5.624 2.899 575 HB2 LYS 79 HB2 LYS 79 1.606 -5.772 5.599 576 HB3 LYS 79 HB1 LYS 79 1.508 -7.078 4.415 577 HG2 LYS 79 HG2 LYS 79 2.732 -4.506 3.567 578 HG3 LYS 79 HG1 LYS 79 3.666 -5.542 4.642 579 HD2 LYS 79 HD2 LYS 79 4.337 -6.463 2.689 580 HD3 LYS 79 HD1 LYS 79 2.826 -7.359 2.852 581 HE2 LYS 79 HE2 LYS 79 3.019 -4.740 1.380 582 HE3 LYS 79 HE1 LYS 79 3.282 -6.300 0.594 583 HZ1 LYS 79 HZ1 LYS 79 1.015 -5.651 0.270 584 HZ2 LYS 79 HZ2 LYS 79 0.788 -5.371 1.919 585 HZ3 LYS 79 HZ3 LYS 79 1.028 -6.947 1.357 586 H ASP 80 HN ASP 80 -0.256 -5.197 6.406 587 HA ASP 80 HA ASP 80 -2.283 -7.119 6.592 588 HB2 ASP 80 HB2 ASP 80 -1.266 -6.312 8.624 589 HB3 ASP 80 HB1 ASP 80 -1.831 -4.670 8.306 590 H PHE 81 HN PHE 81 -2.463 -3.727 5.773 591 HA PHE 81 HA PHE 81 -5.164 -3.195 6.097 592 HB2 PHE 81 HB2 PHE 81 -3.151 -1.695 5.298 593 HB3 PHE 81 HB1 PHE 81 -3.717 -2.139 3.694 594 HD1 PHE 81 HD2 PHE 81 -6.192 -1.672 3.157 595 HD2 PHE 81 HD1 PHE 81 -4.097 0.074 6.426 596 HE1 PHE 81 HE2 PHE 81 -7.891 0.105 3.290 597 HE2 PHE 81 HE1 PHE 81 -5.793 1.854 6.570 598 HZ PHE 81 HZ PHE 81 -7.688 1.870 4.999 599 H MET 82 HN MET 82 -3.512 -4.721 3.396 600 HA MET 82 HA MET 82 -5.552 -4.848 1.518 601 HB2 MET 82 HB2 MET 82 -3.460 -6.946 2.017 602 HB3 MET 82 HB1 MET 82 -4.325 -6.658 0.511 603 HG2 MET 82 HG2 MET 82 -3.320 -4.394 0.419 604 HG3 MET 82 HG1 MET 82 -2.377 -4.803 1.849 605 HE1 MET 82 HE1 MET 82 -2.766 -4.917 -1.875 606 HE2 MET 82 HE2 MET 82 -1.078 -5.214 -2.288 607 HE3 MET 82 HE3 MET 82 -1.503 -3.861 -1.236 608 H LEU 83 HN LEU 83 -4.918 -7.005 4.236 609 HA LEU 83 HA LEU 83 -7.212 -8.649 3.506 610 HB2 LEU 83 HB2 LEU 83 -5.227 -8.960 5.772 611 HB3 LEU 83 HB1 LEU 83 -6.483 -10.105 5.373 612 HG LEU 83 HG LEU 83 -5.308 -10.378 3.114 613 HD11 LEU 83 HD11 LEU 83 -3.927 -8.379 3.203 614 HD12 LEU 83 HD12 LEU 83 -2.936 -9.831 3.050 615 HD13 LEU 83 HD13 LEU 83 -3.077 -9.019 4.609 616 HD21 LEU 83 HD21 LEU 83 -5.210 -12.098 4.838 617 HD22 LEU 83 HD22 LEU 83 -3.894 -11.239 5.640 618 HD23 LEU 83 HD23 LEU 83 -3.643 -11.940 4.041 619 H GLY 84 HN GLY 84 -6.066 -6.532 6.074 620 HA2 GLY 84 HA2 GLY 84 -7.375 -5.222 7.521 621 HA3 GLY 84 HA1 GLY 84 -8.811 -6.037 6.912 622 H SER 85 HN SER 85 -5.857 -7.419 8.332 623 HA SER 85 HA SER 85 -7.579 -9.073 9.983 624 HB2 SER 85 HB2 SER 85 -5.721 -10.018 8.527 625 HB3 SER 85 HB1 SER 85 -4.588 -9.294 9.665 626 HG SER 85 HG SER 85 -6.231 -10.601 11.175 627 H GLY 86 HN GLY 86 -6.395 -6.212 10.291 628 HA2 GLY 86 HA2 GLY 86 -5.606 -6.409 13.103 629 HA3 GLY 86 HA1 GLY 86 -5.592 -4.947 12.124 630 H ASP 87 HN ASP 87 -8.295 -5.612 11.099 631 HA ASP 87 HA ASP 87 -10.381 -4.779 11.430 632 HB2 ASP 87 HB2 ASP 87 -10.251 -6.958 12.867 633 HB3 ASP 87 HB1 ASP 87 -10.298 -5.850 14.237 634 H ALA 88 HN ALA 88 -8.386 -2.922 11.863 635 HA ALA 88 HA ALA 88 -8.790 -1.499 14.313 636 HB1 ALA 88 HB1 ALA 88 -7.456 -0.603 11.762 637 HB2 ALA 88 HB2 ALA 88 -6.661 -1.438 13.095 638 HB3 ALA 88 HB3 ALA 88 -7.325 0.177 13.337 639 H GLY 89 HN GLY 89 -10.345 -1.604 11.255 640 HA2 GLY 89 HA2 GLY 89 -12.478 0.024 12.111 641 HA3 GLY 89 HA1 GLY 89 -11.421 0.955 11.058 642 H282 PNS 90 H28A PNS 44 -0.911 15.790 -4.967 643 H281 PNS 90 H28B PNS 44 -1.836 14.304 -4.738 644 H303 PNS 90 H30A PNS 44 -3.319 17.449 -7.168 645 H302 PNS 90 H30B PNS 44 -1.743 17.566 -6.384 646 H301 PNS 90 H30C PNS 44 -3.218 17.631 -5.420 647 H313 PNS 90 H31A PNS 44 -1.049 15.481 -7.460 648 H312 PNS 90 H31B PNS 44 -2.619 15.212 -8.219 649 H311 PNS 90 H31C PNS 44 -1.928 13.980 -7.164 650 H32 PNS 90 H32A PNS 44 -4.114 14.046 -5.986 651 H33 PNS 90 H33A PNS 44 -4.058 15.749 -4.128 652 H36 PNS 90 H36A PNS 44 -6.567 15.835 -5.885 653 H372 PNS 90 H37A PNS 44 -7.344 17.408 -7.808 654 H371 PNS 90 H37B PNS 44 -7.066 15.956 -8.771 655 H382 PNS 90 H38A PNS 44 -8.931 16.111 -6.407 656 H381 PNS 90 H38B PNS 44 -9.430 16.293 -8.085 657 H41 PNS 90 H41A PNS 44 -10.606 14.462 -6.610 658 H422 PNS 90 H42A PNS 44 -10.113 12.008 -8.008 659 H421 PNS 90 H42B PNS 44 -9.758 11.912 -6.283 660 H431 PNS 90 H43A PNS 44 -11.999 11.172 -6.585 661 H432 PNS 90 H43B PNS 44 -12.388 12.569 -7.587 662 H44 PNS 90 H1 PNS 44 -11.728 12.648 -4.229 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -9.862 -11.898 13.508 2 H2 ALA 1 HT2 ALA 1 -9.433 -12.891 14.813 3 H3 ALA 1 HT3 ALA 1 -10.805 -11.896 14.917 4 HA ALA 1 HA ALA 1 -10.431 -14.219 13.115 5 HB1 ALA 1 HB1 ALA 1 -12.341 -13.838 15.418 6 HB2 ALA 1 HB2 ALA 1 -10.866 -14.803 15.467 7 HB3 ALA 1 HB3 ALA 1 -12.191 -15.273 14.401 8 H MET 2 HN MET 2 -12.360 -14.799 11.935 9 HA MET 2 HA MET 2 -14.076 -14.399 10.514 10 HB2 MET 2 HB2 MET 2 -14.559 -11.956 12.229 11 HB3 MET 2 HB1 MET 2 -15.607 -12.461 10.913 12 HG2 MET 2 HG2 MET 2 -16.116 -14.526 12.064 13 HG3 MET 2 HG1 MET 2 -14.994 -14.108 13.356 14 HE1 MET 2 HE1 MET 2 -18.901 -11.792 12.505 15 HE2 MET 2 HE2 MET 2 -18.403 -13.223 11.604 16 HE3 MET 2 HE3 MET 2 -17.484 -11.724 11.453 17 H ALA 3 HN ALA 3 -14.629 -13.069 8.630 18 HA ALA 3 HA ALA 3 -12.901 -10.820 8.075 19 HB1 ALA 3 HB1 ALA 3 -11.857 -11.757 6.112 20 HB2 ALA 3 HB2 ALA 3 -12.706 -13.283 6.350 21 HB3 ALA 3 HB3 ALA 3 -11.487 -12.765 7.512 22 H LYS 4 HN LYS 4 -13.810 -9.424 6.765 23 HA LYS 4 HA LYS 4 -15.673 -10.217 4.697 24 HB2 LYS 4 HB2 LYS 4 -17.110 -9.902 6.696 25 HB3 LYS 4 HB1 LYS 4 -16.505 -8.262 6.858 26 HG2 LYS 4 HG2 LYS 4 -17.501 -7.664 4.718 27 HG3 LYS 4 HG1 LYS 4 -18.071 -9.322 4.506 28 HD2 LYS 4 HD2 LYS 4 -19.621 -9.126 6.244 29 HD3 LYS 4 HD1 LYS 4 -18.828 -7.698 6.911 30 HE2 LYS 4 HE2 LYS 4 -20.916 -7.128 5.768 31 HE3 LYS 4 HE1 LYS 4 -19.517 -6.383 5.002 32 HZ1 LYS 4 HZ1 LYS 4 -21.017 -8.763 4.038 33 HZ2 LYS 4 HZ2 LYS 4 -19.575 -8.198 3.339 34 HZ3 LYS 4 HZ3 LYS 4 -20.961 -7.226 3.325 35 H GLY 5 HN GLY 5 -12.995 -9.000 5.062 36 HA2 GLY 5 HA2 GLY 5 -13.424 -6.339 3.875 37 HA3 GLY 5 HA1 GLY 5 -11.945 -6.858 4.675 38 H VAL 6 HN VAL 6 -10.595 -6.401 2.949 39 HA VAL 6 HA VAL 6 -11.113 -7.397 0.316 40 HB VAL 6 HB VAL 6 -8.477 -6.467 1.441 41 HG11 VAL 6 HG11 VAL 6 -9.472 -6.619 -1.400 42 HG12 VAL 6 HG12 VAL 6 -8.303 -7.709 -0.655 43 HG13 VAL 6 HG13 VAL 6 -7.900 -6.007 -0.880 44 HG21 VAL 6 HG21 VAL 6 -10.629 -4.877 0.061 45 HG22 VAL 6 HG22 VAL 6 -9.039 -4.270 0.512 46 HG23 VAL 6 HG23 VAL 6 -10.183 -4.759 1.762 47 H GLY 7 HN GLY 7 -8.195 -8.132 2.231 48 HA2 GLY 7 HA2 GLY 7 -7.222 -10.174 2.759 49 HA3 GLY 7 HA1 GLY 7 -8.730 -10.952 2.294 50 H VAL 8 HN VAL 8 -5.626 -9.821 1.165 51 HA VAL 8 HA VAL 8 -6.216 -10.822 -1.530 52 HB VAL 8 HB VAL 8 -4.340 -9.586 -2.345 53 HG11 VAL 8 HG11 VAL 8 -6.356 -8.262 -1.886 54 HG12 VAL 8 HG12 VAL 8 -4.875 -7.314 -1.777 55 HG13 VAL 8 HG13 VAL 8 -5.697 -7.834 -0.310 56 HG21 VAL 8 HG21 VAL 8 -3.603 -9.061 0.525 57 HG22 VAL 8 HG22 VAL 8 -2.805 -8.361 -0.887 58 HG23 VAL 8 HG23 VAL 8 -2.743 -10.105 -0.609 59 H SER 9 HN SER 9 -4.615 -12.191 -2.598 60 HA SER 9 HA SER 9 -3.535 -14.156 -0.783 61 HB2 SER 9 HB2 SER 9 -4.722 -14.706 -2.959 62 HB3 SER 9 HB1 SER 9 -3.300 -14.094 -3.800 63 HG SER 9 HG SER 9 -3.165 -16.141 -1.832 64 H ASN 10 HN ASN 10 -1.246 -15.039 -1.890 65 HA ASN 10 HA ASN 10 0.577 -13.099 -0.845 66 HB2 ASN 10 HB2 ASN 10 0.883 -15.523 -0.488 67 HB3 ASN 10 HB1 ASN 10 1.156 -15.736 -2.212 68 HD21 ASN 10 HD21 ASN 10 2.343 -13.109 -0.171 69 HD22 ASN 10 HD22 ASN 10 4.019 -13.474 -0.378 70 H GLU 11 HN GLU 11 -0.602 -13.863 -3.964 71 HA GLU 11 HA GLU 11 1.693 -12.934 -5.397 72 HB2 GLU 11 HB2 GLU 11 0.095 -14.529 -6.404 73 HB3 GLU 11 HB1 GLU 11 -1.124 -13.250 -6.443 74 HG2 GLU 11 HG2 GLU 11 0.635 -11.924 -7.758 75 HG3 GLU 11 HG1 GLU 11 1.439 -13.475 -7.967 76 H LYS 12 HN LYS 12 -1.440 -11.568 -4.474 77 HA LYS 12 HA LYS 12 -1.016 -9.026 -5.659 78 HB2 LYS 12 HB2 LYS 12 -3.077 -10.317 -4.278 79 HB3 LYS 12 HB1 LYS 12 -2.626 -8.994 -3.213 80 HG2 LYS 12 HG2 LYS 12 -4.424 -8.238 -4.605 81 HG3 LYS 12 HG1 LYS 12 -2.949 -7.418 -5.126 82 HD2 LYS 12 HD2 LYS 12 -2.802 -8.640 -7.084 83 HD3 LYS 12 HD1 LYS 12 -3.794 -9.966 -6.462 84 HE2 LYS 12 HE2 LYS 12 -5.772 -8.537 -6.589 85 HE3 LYS 12 HE1 LYS 12 -4.787 -7.190 -7.166 86 HZ1 LYS 12 HZ1 LYS 12 -5.826 -8.218 -9.031 87 HZ2 LYS 12 HZ2 LYS 12 -5.313 -9.764 -8.562 88 HZ3 LYS 12 HZ3 LYS 12 -4.181 -8.625 -9.092 89 H LEU 13 HN LEU 13 -0.100 -10.538 -2.684 90 HA LEU 13 HA LEU 13 0.768 -8.223 -1.290 91 HB2 LEU 13 HB2 LEU 13 0.263 -10.629 -0.442 92 HB3 LEU 13 HB1 LEU 13 1.924 -10.979 -0.885 93 HG LEU 13 HG LEU 13 2.535 -9.007 0.621 94 HD11 LEU 13 HD11 LEU 13 0.320 -8.047 0.788 95 HD12 LEU 13 HD12 LEU 13 0.904 -8.525 2.384 96 HD13 LEU 13 HD13 LEU 13 -0.281 -9.525 1.539 97 HD21 LEU 13 HD21 LEU 13 2.451 -10.424 2.631 98 HD22 LEU 13 HD22 LEU 13 2.995 -11.314 1.208 99 HD23 LEU 13 HD23 LEU 13 1.346 -11.515 1.793 100 H ASP 14 HN ASP 14 2.212 -10.264 -3.726 101 HA ASP 14 HA ASP 14 4.871 -9.194 -3.325 102 HB2 ASP 14 HB2 ASP 14 3.916 -11.523 -4.413 103 HB3 ASP 14 HB1 ASP 14 4.311 -10.598 -5.847 104 H ALA 15 HN ALA 15 2.043 -8.591 -5.210 105 HA ALA 15 HA ALA 15 3.376 -7.140 -7.293 106 HB1 ALA 15 HB1 ALA 15 1.176 -6.653 -8.130 107 HB2 ALA 15 HB2 ALA 15 0.446 -7.112 -6.595 108 HB3 ALA 15 HB3 ALA 15 1.217 -8.336 -7.603 109 H VAL 16 HN VAL 16 1.700 -6.344 -4.309 110 HA VAL 16 HA VAL 16 1.577 -3.580 -4.678 111 HB VAL 16 HB VAL 16 0.313 -4.518 -2.867 112 HG11 VAL 16 HG11 VAL 16 1.347 -5.524 -0.888 113 HG12 VAL 16 HG12 VAL 16 2.946 -5.309 -1.601 114 HG13 VAL 16 HG13 VAL 16 1.792 -6.418 -2.342 115 HG21 VAL 16 HG21 VAL 16 1.052 -2.231 -2.534 116 HG22 VAL 16 HG22 VAL 16 2.567 -2.791 -1.826 117 HG23 VAL 16 HG23 VAL 16 1.040 -3.074 -0.984 118 H MET 17 HN MET 17 4.088 -5.623 -3.304 119 HA MET 17 HA MET 17 5.685 -3.589 -2.266 120 HB2 MET 17 HB2 MET 17 6.561 -6.312 -3.268 121 HB3 MET 17 HB1 MET 17 7.500 -5.237 -2.255 122 HG2 MET 17 HG2 MET 17 5.753 -5.381 -0.529 123 HG3 MET 17 HG1 MET 17 4.925 -6.568 -1.532 124 HE1 MET 17 HE1 MET 17 7.582 -9.475 -1.629 125 HE2 MET 17 HE2 MET 17 7.434 -8.139 -2.768 126 HE3 MET 17 HE3 MET 17 5.985 -8.953 -2.172 127 H ARG 18 HN ARG 18 5.642 -5.003 -5.535 128 HA ARG 18 HA ARG 18 7.998 -3.590 -6.281 129 HB2 ARG 18 HB2 ARG 18 7.382 -4.224 -8.625 130 HB3 ARG 18 HB1 ARG 18 7.618 -5.556 -7.505 131 HG2 ARG 18 HG2 ARG 18 5.307 -5.987 -7.377 132 HG3 ARG 18 HG1 ARG 18 4.905 -4.454 -8.158 133 HD2 ARG 18 HD2 ARG 18 5.765 -5.210 -10.249 134 HD3 ARG 18 HD1 ARG 18 6.488 -6.632 -9.504 135 HE ARG 18 HE ARG 18 4.128 -7.368 -9.075 136 HH11 ARG 18 HH11 ARG 18 4.865 -5.163 -11.695 137 HH12 ARG 18 HH12 ARG 18 3.557 -5.716 -12.705 138 HH21 ARG 18 HH21 ARG 18 2.420 -8.117 -10.387 139 HH22 ARG 18 HH22 ARG 18 2.168 -7.415 -11.960 140 H VAL 19 HN VAL 19 4.565 -2.816 -6.347 141 HA VAL 19 HA VAL 19 4.861 -0.560 -8.096 142 HB VAL 19 HB VAL 19 2.676 -1.322 -6.131 143 HG11 VAL 19 HG11 VAL 19 2.789 1.027 -8.011 144 HG12 VAL 19 HG12 VAL 19 2.639 1.068 -6.257 145 HG13 VAL 19 HG13 VAL 19 1.321 0.440 -7.245 146 HG21 VAL 19 HG21 VAL 19 1.393 -1.853 -8.111 147 HG22 VAL 19 HG22 VAL 19 2.924 -2.723 -8.155 148 HG23 VAL 19 HG23 VAL 19 2.700 -1.287 -9.150 149 H VAL 20 HN VAL 20 5.057 -1.223 -4.722 150 HA VAL 20 HA VAL 20 5.389 1.457 -3.831 151 HB VAL 20 HB VAL 20 5.935 -1.265 -2.618 152 HG11 VAL 20 HG11 VAL 20 6.455 1.370 -1.244 153 HG12 VAL 20 HG12 VAL 20 7.714 0.290 -1.844 154 HG13 VAL 20 HG13 VAL 20 6.639 -0.241 -0.549 155 HG21 VAL 20 HG21 VAL 20 3.623 -0.546 -2.642 156 HG22 VAL 20 HG22 VAL 20 4.064 0.997 -1.915 157 HG23 VAL 20 HG23 VAL 20 4.235 -0.493 -0.990 158 H SER 21 HN SER 21 7.627 -1.167 -4.722 159 HA SER 21 HA SER 21 10.005 0.145 -4.139 160 HB2 SER 21 HB2 SER 21 9.150 -2.140 -5.882 161 HB3 SER 21 HB1 SER 21 10.796 -1.568 -5.930 162 HG SER 21 HG SER 21 10.648 -1.781 -3.521 163 H GLU 22 HN GLU 22 7.761 0.595 -6.718 164 HA GLU 22 HA GLU 22 9.683 1.722 -8.538 165 HB2 GLU 22 HB2 GLU 22 6.757 1.128 -8.600 166 HB3 GLU 22 HB1 GLU 22 7.443 2.219 -9.799 167 HG2 GLU 22 HG2 GLU 22 8.840 0.533 -10.679 168 HG3 GLU 22 HG1 GLU 22 8.538 -0.535 -9.312 169 H GLU 23 HN GLU 23 6.881 2.869 -6.676 170 HA GLU 23 HA GLU 23 7.412 5.572 -7.599 171 HB2 GLU 23 HB2 GLU 23 5.131 4.516 -5.904 172 HB3 GLU 23 HB1 GLU 23 5.239 6.141 -6.558 173 HG2 GLU 23 HG2 GLU 23 5.122 3.618 -8.191 174 HG3 GLU 23 HG1 GLU 23 3.755 4.674 -7.857 175 H SER 24 HN SER 24 7.706 3.692 -4.656 176 HA SER 24 HA SER 24 8.250 6.062 -3.061 177 HB2 SER 24 HB2 SER 24 8.591 3.150 -2.312 178 HB3 SER 24 HB1 SER 24 8.565 4.539 -1.216 179 HG SER 24 HG SER 24 6.360 4.559 -2.742 180 H GLY 25 HN GLY 25 9.994 3.497 -4.692 181 HA2 GLY 25 HA2 GLY 25 12.182 3.876 -5.592 182 HA3 GLY 25 HA1 GLY 25 12.454 5.075 -4.335 183 H ILE 26 HN ILE 26 11.127 2.745 -2.592 184 HA ILE 26 HA ILE 26 13.689 1.780 -1.682 185 HB ILE 26 HB ILE 26 11.091 0.628 -0.743 186 HG12 ILE 26 HG12 ILE 26 12.235 3.227 0.328 187 HG13 ILE 26 HG11 ILE 26 10.903 3.160 -0.822 188 HG21 ILE 26 HG21 ILE 26 13.096 -0.362 0.124 189 HG22 ILE 26 HG22 ILE 26 12.312 0.553 1.414 190 HG23 ILE 26 HG23 ILE 26 13.724 1.218 0.593 191 HD11 ILE 26 HD11 ILE 26 10.921 2.005 1.965 192 HD12 ILE 26 HD12 ILE 26 9.579 1.895 0.829 193 HD13 ILE 26 HD13 ILE 26 10.087 3.470 1.445 194 H ALA 27 HN ALA 27 14.628 0.368 -3.003 195 HA ALA 27 HA ALA 27 13.672 -1.430 -4.785 196 HB1 ALA 27 HB1 ALA 27 15.973 -1.949 -2.903 197 HB2 ALA 27 HB2 ALA 27 16.059 -0.938 -4.344 198 HB3 ALA 27 HB3 ALA 27 15.735 -2.665 -4.497 199 H LEU 28 HN LEU 28 13.033 -3.552 -4.822 200 HA LEU 28 HA LEU 28 11.226 -4.381 -2.878 201 HB2 LEU 28 HB2 LEU 28 11.219 -5.107 -5.231 202 HB3 LEU 28 HB1 LEU 28 12.687 -6.020 -4.960 203 HG LEU 28 HG LEU 28 11.332 -7.367 -3.255 204 HD11 LEU 28 HD11 LEU 28 9.418 -5.984 -2.967 205 HD12 LEU 28 HD12 LEU 28 8.878 -7.430 -3.820 206 HD13 LEU 28 HD13 LEU 28 9.120 -5.919 -4.703 207 HD21 LEU 28 HD21 LEU 28 12.064 -8.221 -5.407 208 HD22 LEU 28 HD22 LEU 28 10.663 -7.493 -6.190 209 HD23 LEU 28 HD23 LEU 28 10.442 -8.803 -5.029 210 H GLU 29 HN GLU 29 14.648 -5.017 -3.225 211 HA GLU 29 HA GLU 29 14.699 -7.208 -1.353 212 HB2 GLU 29 HB2 GLU 29 17.053 -5.631 -2.382 213 HB3 GLU 29 HB1 GLU 29 17.035 -7.276 -1.756 214 HG2 GLU 29 HG2 GLU 29 15.463 -6.546 -4.195 215 HG3 GLU 29 HG1 GLU 29 17.181 -6.935 -4.306 216 H GLU 30 HN GLU 30 14.486 -3.890 -1.029 217 HA GLU 30 HA GLU 30 15.881 -3.904 1.577 218 HB2 GLU 30 HB2 GLU 30 15.049 -1.466 0.023 219 HB3 GLU 30 HB1 GLU 30 16.129 -1.548 1.402 220 HG2 GLU 30 HG2 GLU 30 16.674 -2.469 -1.393 221 HG3 GLU 30 HG1 GLU 30 17.405 -1.114 -0.550 222 H LEU 31 HN LEU 31 12.917 -3.881 0.060 223 HA LEU 31 HA LEU 31 11.498 -2.138 1.793 224 HB2 LEU 31 HB2 LEU 31 10.746 -2.796 -0.505 225 HB3 LEU 31 HB1 LEU 31 10.366 -4.393 0.118 226 HG LEU 31 HG LEU 31 8.738 -3.365 1.673 227 HD11 LEU 31 HD11 LEU 31 9.388 -0.837 0.164 228 HD12 LEU 31 HD12 LEU 31 9.772 -1.168 1.853 229 HD13 LEU 31 HD13 LEU 31 8.089 -1.029 1.342 230 HD21 LEU 31 HD21 LEU 31 7.077 -2.762 -0.056 231 HD22 LEU 31 HD22 LEU 31 7.948 -4.250 -0.420 232 HD23 LEU 31 HD23 LEU 31 8.371 -2.755 -1.253 233 H THR 32 HN THR 32 11.721 -2.601 3.882 234 HA THR 32 HA THR 32 11.019 -5.302 4.798 235 HB THR 32 HB THR 32 12.220 -4.739 6.871 236 HG1 THR 32 HG1 THR 32 13.164 -2.330 5.750 237 HG21 THR 32 HG21 THR 32 13.830 -4.132 4.365 238 HG22 THR 32 HG22 THR 32 13.601 -5.713 5.125 239 HG23 THR 32 HG23 THR 32 14.524 -4.465 5.954 240 H ASP 33 HN ASP 33 9.755 -5.346 6.883 241 HA ASP 33 HA ASP 33 7.444 -3.698 6.505 242 HB2 ASP 33 HB2 ASP 33 6.420 -4.994 8.249 243 HB3 ASP 33 HB1 ASP 33 7.319 -6.082 7.199 244 H ASP 34 HN ASP 34 10.317 -3.179 8.076 245 HA ASP 34 HA ASP 34 9.214 -1.818 10.397 246 HB2 ASP 34 HB2 ASP 34 11.130 -3.240 10.762 247 HB3 ASP 34 HB1 ASP 34 12.054 -2.374 9.536 248 H SER 35 HN SER 35 10.454 -0.985 7.253 249 HA SER 35 HA SER 35 11.308 1.677 7.980 250 HB2 SER 35 HB2 SER 35 10.544 0.777 5.180 251 HB3 SER 35 HB1 SER 35 11.680 2.039 5.644 252 HG SER 35 HG SER 35 12.801 0.153 6.739 253 H ASN 36 HN ASN 36 10.313 3.636 7.418 254 HA ASN 36 HA ASN 36 7.385 3.426 7.732 255 HB2 ASN 36 HB2 ASN 36 8.827 4.215 9.694 256 HB3 ASN 36 HB1 ASN 36 9.180 5.637 8.733 257 HD21 ASN 36 HD21 ASN 36 6.093 3.939 8.923 258 HD22 ASN 36 HD22 ASN 36 5.242 5.231 9.692 259 H PHE 37 HN PHE 37 6.214 4.340 6.140 260 HA PHE 37 HA PHE 37 7.352 5.427 3.836 261 HB2 PHE 37 HB2 PHE 37 4.565 5.401 4.935 262 HB3 PHE 37 HB1 PHE 37 4.931 6.326 3.480 263 HD1 PHE 37 HD1 PHE 37 6.279 4.988 1.630 264 HD2 PHE 37 HD2 PHE 37 3.958 3.224 4.725 265 HE1 PHE 37 HE1 PHE 37 6.055 2.929 0.288 266 HE2 PHE 37 HE2 PHE 37 3.723 1.181 3.409 267 HZ PHE 37 HZ PHE 37 4.926 1.051 1.112 268 H ALA 38 HN ALA 38 5.637 7.131 6.453 269 HA ALA 38 HA ALA 38 6.072 9.716 5.371 270 HB1 ALA 38 HB1 ALA 38 4.258 9.256 6.882 271 HB2 ALA 38 HB2 ALA 38 5.318 10.489 7.576 272 HB3 ALA 38 HB3 ALA 38 5.400 8.828 8.159 273 H ASP 39 HN ASP 39 7.972 7.635 7.432 274 HA ASP 39 HA ASP 39 9.729 9.660 8.416 275 HB2 ASP 39 HB2 ASP 39 9.426 7.453 9.530 276 HB3 ASP 39 HB1 ASP 39 10.239 6.691 8.164 277 H MET 40 HN MET 40 9.582 7.657 5.604 278 HA MET 40 HA MET 40 12.312 8.209 4.829 279 HB2 MET 40 HB2 MET 40 10.094 6.647 3.545 280 HB3 MET 40 HB1 MET 40 11.615 6.961 2.718 281 HG2 MET 40 HG2 MET 40 11.585 5.760 5.446 282 HG3 MET 40 HG1 MET 40 11.316 4.751 4.024 283 HE1 MET 40 HE1 MET 40 13.840 6.749 6.187 284 HE2 MET 40 HE2 MET 40 13.767 7.826 4.792 285 HE3 MET 40 HE3 MET 40 15.243 6.925 5.132 286 H GLY 41 HN GLY 41 9.307 9.711 4.479 287 HA2 GLY 41 HA2 GLY 41 9.089 11.921 3.603 288 HA3 GLY 41 HA1 GLY 41 10.544 11.652 2.654 289 H ILE 42 HN ILE 42 7.819 9.433 2.767 290 HA ILE 42 HA ILE 42 7.472 9.552 -0.068 291 HB ILE 42 HB ILE 42 5.812 8.238 2.098 292 HG12 ILE 42 HG12 ILE 42 8.120 7.409 1.717 293 HG13 ILE 42 HG11 ILE 42 6.888 6.206 1.352 294 HG21 ILE 42 HG21 ILE 42 4.283 8.626 0.329 295 HG22 ILE 42 HG22 ILE 42 4.801 6.943 0.193 296 HG23 ILE 42 HG23 ILE 42 5.476 8.161 -0.889 297 HD11 ILE 42 HD11 ILE 42 8.684 6.205 -0.289 298 HD12 ILE 42 HD12 ILE 42 8.357 7.900 -0.659 299 HD13 ILE 42 HD13 ILE 42 7.149 6.665 -1.025 300 H ASP 43 HN ASP 43 6.643 11.245 -1.027 301 HA ASP 43 HA ASP 43 5.093 13.207 0.403 302 HB2 ASP 43 HB2 ASP 43 6.816 13.638 -1.435 303 HB3 ASP 43 HB1 ASP 43 5.584 13.123 -2.578 304 H SER 44 HN SER 44 3.088 14.099 -0.435 305 HA SER 44 HA SER 44 0.956 12.343 -0.581 306 HB2 SER 44 HB2 SER 44 0.552 14.567 0.072 307 HB3 SER 44 HB1 SER 44 1.318 15.226 -1.371 308 H LEU 45 HN LEU 45 2.873 13.794 -3.153 309 HA LEU 45 HA LEU 45 1.233 13.117 -5.326 310 HB2 LEU 45 HB2 LEU 45 3.274 14.655 -5.301 311 HB3 LEU 45 HB1 LEU 45 4.258 13.207 -5.386 312 HG LEU 45 HG LEU 45 3.913 14.419 -7.559 313 HD11 LEU 45 HD11 LEU 45 3.500 12.390 -8.886 314 HD12 LEU 45 HD12 LEU 45 2.977 11.557 -7.421 315 HD13 LEU 45 HD13 LEU 45 4.645 12.115 -7.572 316 HD21 LEU 45 HD21 LEU 45 1.776 14.067 -8.723 317 HD22 LEU 45 HD22 LEU 45 1.598 15.069 -7.283 318 HD23 LEU 45 HD23 LEU 45 1.103 13.376 -7.248 319 H SER 46 HN SER 46 4.169 11.402 -4.201 320 HA SER 46 HA SER 46 3.829 9.186 -5.889 321 HB2 SER 46 HB2 SER 46 5.299 9.215 -3.250 322 HB3 SER 46 HB1 SER 46 5.603 8.164 -4.634 323 HG SER 46 HG SER 46 6.729 9.690 -5.531 324 H SER 47 HN SER 47 2.826 9.714 -2.543 325 HA SER 47 HA SER 47 2.055 7.051 -2.034 326 HB2 SER 47 HB2 SER 47 0.772 8.044 -0.131 327 HB3 SER 47 HB1 SER 47 2.452 8.576 -0.208 328 HG SER 47 HG SER 47 1.828 10.548 -0.693 329 H MET 48 HN MET 48 0.398 9.749 -3.515 330 HA MET 48 HA MET 48 -2.203 8.545 -3.470 331 HB2 MET 48 HB2 MET 48 -1.705 11.034 -3.632 332 HB3 MET 48 HB1 MET 48 -1.250 10.746 -5.305 333 HG2 MET 48 HG2 MET 48 -3.546 11.571 -5.112 334 HG3 MET 48 HG1 MET 48 -3.480 9.950 -5.806 335 HE1 MET 48 HE1 MET 48 -6.120 9.698 -5.335 336 HE2 MET 48 HE2 MET 48 -6.123 11.324 -4.651 337 HE3 MET 48 HE3 MET 48 -6.845 9.988 -3.754 338 H VAL 49 HN VAL 49 0.443 8.841 -5.746 339 HA VAL 49 HA VAL 49 -0.790 7.741 -8.015 340 HB VAL 49 HB VAL 49 2.099 7.872 -7.118 341 HG11 VAL 49 HG11 VAL 49 1.854 5.862 -8.497 342 HG12 VAL 49 HG12 VAL 49 2.774 7.110 -9.337 343 HG13 VAL 49 HG13 VAL 49 1.089 6.822 -9.764 344 HG21 VAL 49 HG21 VAL 49 2.306 9.512 -8.911 345 HG22 VAL 49 HG22 VAL 49 1.021 9.980 -7.795 346 HG23 VAL 49 HG23 VAL 49 0.618 9.262 -9.356 347 H ILE 50 HN ILE 50 1.088 6.249 -5.396 348 HA ILE 50 HA ILE 50 1.135 3.642 -6.315 349 HB ILE 50 HB ILE 50 0.940 4.562 -3.440 350 HG12 ILE 50 HG12 ILE 50 3.387 3.910 -5.099 351 HG13 ILE 50 HG11 ILE 50 2.815 5.545 -4.785 352 HG21 ILE 50 HG21 ILE 50 1.964 1.967 -4.595 353 HG22 ILE 50 HG22 ILE 50 0.449 2.181 -3.719 354 HG23 ILE 50 HG23 ILE 50 1.988 2.431 -2.891 355 HD11 ILE 50 HD11 ILE 50 3.166 5.229 -2.410 356 HD12 ILE 50 HD12 ILE 50 4.649 4.920 -3.313 357 HD13 ILE 50 HD13 ILE 50 3.694 3.571 -2.700 358 H GLY 51 HN GLY 51 -1.270 5.095 -4.097 359 HA2 GLY 51 HA2 GLY 51 -2.906 2.811 -3.908 360 HA3 GLY 51 HA1 GLY 51 -3.427 4.454 -3.576 361 H SER 52 HN SER 52 -2.965 5.515 -6.198 362 HA SER 52 HA SER 52 -5.322 4.734 -7.538 363 HB2 SER 52 HB2 SER 52 -2.968 5.986 -9.007 364 HB3 SER 52 HB1 SER 52 -4.671 6.138 -9.399 365 HG SER 52 HG SER 52 -3.413 7.188 -7.065 366 H ARG 53 HN ARG 53 -1.937 3.837 -8.156 367 HA ARG 53 HA ARG 53 -2.412 2.204 -10.392 368 HB2 ARG 53 HB2 ARG 53 -0.234 2.065 -8.319 369 HB3 ARG 53 HB1 ARG 53 -0.255 1.095 -9.783 370 HG2 ARG 53 HG2 ARG 53 -0.401 3.316 -11.028 371 HG3 ARG 53 HG1 ARG 53 0.099 4.053 -9.502 372 HD2 ARG 53 HD2 ARG 53 2.197 3.637 -10.293 373 HD3 ARG 53 HD1 ARG 53 1.831 2.045 -9.628 374 HE ARG 53 HE ARG 53 0.953 2.125 -12.298 375 HH11 ARG 53 HH11 ARG 53 3.927 2.204 -10.482 376 HH12 ARG 53 HH12 ARG 53 4.804 1.181 -11.579 377 HH21 ARG 53 HH21 ARG 53 2.073 0.784 -13.776 378 HH22 ARG 53 HH22 ARG 53 3.734 0.379 -13.470 379 H PHE 54 HN PHE 54 -2.621 1.561 -6.947 380 HA PHE 54 HA PHE 54 -2.767 -1.225 -6.913 381 HB2 PHE 54 HB2 PHE 54 -4.214 0.889 -5.307 382 HB3 PHE 54 HB1 PHE 54 -4.489 -0.820 -5.033 383 HD1 PHE 54 HD1 PHE 54 -1.168 -0.760 -5.908 384 HD2 PHE 54 HD2 PHE 54 -3.761 0.490 -2.772 385 HE1 PHE 54 HE1 PHE 54 0.700 -0.827 -4.314 386 HE2 PHE 54 HE2 PHE 54 -1.889 0.406 -1.183 387 HZ PHE 54 HZ PHE 54 0.341 -0.269 -1.958 388 H ARG 55 HN ARG 55 -5.164 1.165 -7.828 389 HA ARG 55 HA ARG 55 -7.285 -0.795 -8.035 390 HB2 ARG 55 HB2 ARG 55 -7.306 2.104 -8.894 391 HB3 ARG 55 HB1 ARG 55 -8.703 1.072 -8.594 392 HG2 ARG 55 HG2 ARG 55 -7.994 0.921 -6.217 393 HG3 ARG 55 HG1 ARG 55 -6.720 2.092 -6.571 394 HD2 ARG 55 HD2 ARG 55 -9.697 2.470 -6.615 395 HD3 ARG 55 HD1 ARG 55 -8.482 3.371 -5.707 396 HE ARG 55 HE ARG 55 -8.349 3.544 -8.612 397 HH11 ARG 55 HH11 ARG 55 -9.331 5.036 -5.600 398 HH12 ARG 55 HH12 ARG 55 -9.520 6.618 -6.299 399 HH21 ARG 55 HH21 ARG 55 -8.616 5.600 -9.543 400 HH22 ARG 55 HH22 ARG 55 -9.108 6.936 -8.544 401 H GLU 56 HN GLU 56 -5.011 0.790 -10.139 402 HA GLU 56 HA GLU 56 -6.495 0.151 -12.545 403 HB2 GLU 56 HB2 GLU 56 -3.713 1.293 -12.209 404 HB3 GLU 56 HB1 GLU 56 -4.598 1.189 -13.724 405 HG2 GLU 56 HG2 GLU 56 -6.307 2.703 -12.775 406 HG3 GLU 56 HG1 GLU 56 -5.311 2.862 -11.325 407 H ASP 57 HN ASP 57 -3.246 -0.587 -11.340 408 HA ASP 57 HA ASP 57 -2.789 -2.563 -13.357 409 HB2 ASP 57 HB2 ASP 57 -1.224 -1.122 -11.437 410 HB3 ASP 57 HB1 ASP 57 -0.887 -2.840 -11.267 411 H LEU 58 HN LEU 58 -3.449 -2.639 -9.881 412 HA LEU 58 HA LEU 58 -3.346 -5.556 -9.920 413 HB2 LEU 58 HB2 LEU 58 -3.362 -3.500 -7.742 414 HB3 LEU 58 HB1 LEU 58 -3.843 -5.147 -7.380 415 HG LEU 58 HG LEU 58 -1.641 -5.955 -8.145 416 HD11 LEU 58 HD11 LEU 58 0.165 -4.359 -8.573 417 HD12 LEU 58 HD12 LEU 58 -0.987 -3.028 -8.477 418 HD13 LEU 58 HD13 LEU 58 -1.123 -4.221 -9.770 419 HD21 LEU 58 HD21 LEU 58 -1.479 -3.766 -6.074 420 HD22 LEU 58 HD22 LEU 58 -0.352 -5.112 -6.262 421 HD23 LEU 58 HD23 LEU 58 -2.023 -5.421 -5.790 422 H GLY 59 HN GLY 59 -5.640 -2.941 -9.559 423 HA2 GLY 59 HA2 GLY 59 -7.933 -3.054 -9.944 424 HA3 GLY 59 HA1 GLY 59 -7.814 -4.806 -10.000 425 H LEU 60 HN LEU 60 -6.518 -2.924 -7.351 426 HA LEU 60 HA LEU 60 -8.223 -4.345 -5.497 427 HB2 LEU 60 HB2 LEU 60 -6.282 -2.124 -4.858 428 HB3 LEU 60 HB1 LEU 60 -6.906 -3.350 -3.767 429 HG LEU 60 HG LEU 60 -5.012 -3.858 -6.066 430 HD11 LEU 60 HD11 LEU 60 -3.371 -4.317 -4.286 431 HD12 LEU 60 HD12 LEU 60 -4.545 -3.769 -3.086 432 HD13 LEU 60 HD13 LEU 60 -3.916 -2.640 -4.285 433 HD21 LEU 60 HD21 LEU 60 -6.505 -5.752 -5.601 434 HD22 LEU 60 HD22 LEU 60 -6.009 -5.719 -3.909 435 HD23 LEU 60 HD23 LEU 60 -4.833 -6.114 -5.165 436 H ASP 61 HN ASP 61 -10.307 -3.598 -5.312 437 HA ASP 61 HA ASP 61 -10.908 -0.802 -5.684 438 HB2 ASP 61 HB2 ASP 61 -12.462 -2.570 -6.489 439 HB3 ASP 61 HB1 ASP 61 -12.746 -3.044 -4.816 440 H LEU 62 HN LEU 62 -9.582 -0.052 -4.029 441 HA LEU 62 HA LEU 62 -9.968 -0.743 -1.286 442 HB2 LEU 62 HB2 LEU 62 -8.538 1.575 -2.574 443 HB3 LEU 62 HB1 LEU 62 -8.378 1.102 -0.895 444 HG LEU 62 HG LEU 62 -7.660 -0.749 -3.152 445 HD11 LEU 62 HD11 LEU 62 -5.860 1.195 -1.720 446 HD12 LEU 62 HD12 LEU 62 -6.363 1.302 -3.407 447 HD13 LEU 62 HD13 LEU 62 -5.351 -0.039 -2.870 448 HD21 LEU 62 HD21 LEU 62 -6.879 -0.609 -0.249 449 HD22 LEU 62 HD22 LEU 62 -6.262 -1.778 -1.418 450 HD23 LEU 62 HD23 LEU 62 -7.970 -1.783 -0.984 451 H GLY 63 HN GLY 63 -10.183 2.452 -2.797 452 HA2 GLY 63 HA2 GLY 63 -12.794 3.067 -2.088 453 HA3 GLY 63 HA1 GLY 63 -11.754 3.578 -0.766 454 HA PRO 64 HA PRO 64 -11.727 6.694 -4.290 455 HB2 PRO 64 HB2 PRO 64 -13.435 8.571 -3.390 456 HB3 PRO 64 HB1 PRO 64 -13.983 7.155 -4.305 457 HG2 PRO 64 HG2 PRO 64 -14.076 7.673 -1.373 458 HG3 PRO 64 HG1 PRO 64 -15.268 6.868 -2.402 459 HD2 PRO 64 HD2 PRO 64 -13.437 5.579 -0.776 460 HD3 PRO 64 HD1 PRO 64 -14.241 4.843 -2.174 461 H GLU 65 HN GLU 65 -11.302 6.774 -0.898 462 HA GLU 65 HA GLU 65 -9.852 9.339 -1.087 463 HB2 GLU 65 HB2 GLU 65 -11.256 8.213 1.348 464 HB3 GLU 65 HB1 GLU 65 -10.489 9.795 1.213 465 HG2 GLU 65 HG2 GLU 65 -12.123 10.471 -0.450 466 HG3 GLU 65 HG1 GLU 65 -12.873 8.877 -0.386 467 H PHE 66 HN PHE 66 -9.158 6.270 -1.157 468 HA PHE 66 HA PHE 66 -7.459 5.879 1.114 469 HB2 PHE 66 HB2 PHE 66 -8.430 3.959 -0.083 470 HB3 PHE 66 HB1 PHE 66 -7.525 4.399 -1.529 471 HD1 PHE 66 HD2 PHE 66 -7.291 3.027 1.855 472 HD2 PHE 66 HD1 PHE 66 -5.197 3.907 -1.738 473 HE1 PHE 66 HE2 PHE 66 -5.419 1.632 2.614 474 HE2 PHE 66 HE1 PHE 66 -3.315 2.511 -0.985 475 HZ PHE 66 HZ PHE 66 -3.410 1.377 1.169 476 H SER 67 HN SER 67 -5.686 6.970 1.451 477 HA SER 67 HA SER 67 -3.886 7.510 -0.822 478 HB2 SER 67 HB2 SER 67 -4.313 9.426 1.476 479 HB3 SER 67 HB1 SER 67 -3.480 9.733 -0.048 480 HG SER 67 HG SER 67 -6.237 9.102 0.135 481 H LEU 68 HN LEU 68 -1.926 6.599 -0.444 482 HA LEU 68 HA LEU 68 -1.298 5.169 1.846 483 HB2 LEU 68 HB2 LEU 68 0.141 6.012 -0.541 484 HB3 LEU 68 HB1 LEU 68 1.175 5.863 0.860 485 HG LEU 68 HG LEU 68 0.163 3.538 1.164 486 HD11 LEU 68 HD11 LEU 68 -1.721 3.848 -0.384 487 HD12 LEU 68 HD12 LEU 68 -0.712 2.462 -0.814 488 HD13 LEU 68 HD13 LEU 68 -0.580 3.972 -1.724 489 HD21 LEU 68 HD21 LEU 68 1.747 2.580 -0.430 490 HD22 LEU 68 HD22 LEU 68 2.441 3.937 0.462 491 HD23 LEU 68 HD23 LEU 68 1.911 4.160 -1.210 492 H PHE 69 HN PHE 69 -0.737 8.553 1.171 493 HA PHE 69 HA PHE 69 1.257 9.022 3.113 494 HB2 PHE 69 HB2 PHE 69 0.572 10.487 1.134 495 HB3 PHE 69 HB1 PHE 69 -0.770 11.045 2.123 496 HD1 PHE 69 HD1 PHE 69 2.409 10.345 3.789 497 HD2 PHE 69 HD2 PHE 69 0.056 13.313 1.835 498 HE1 PHE 69 HE1 PHE 69 3.852 12.106 4.717 499 HE2 PHE 69 HE2 PHE 69 1.496 15.072 2.771 500 HZ PHE 69 HZ PHE 69 3.393 14.474 4.217 501 H ILE 70 HN ILE 70 -2.062 8.339 3.428 502 HA ILE 70 HA ILE 70 -2.044 9.377 6.190 503 HB ILE 70 HB ILE 70 -4.442 9.304 4.316 504 HG12 ILE 70 HG12 ILE 70 -2.961 11.607 5.615 505 HG13 ILE 70 HG11 ILE 70 -2.937 11.198 3.904 506 HG21 ILE 70 HG21 ILE 70 -4.334 10.174 7.204 507 HG22 ILE 70 HG22 ILE 70 -5.049 8.675 6.613 508 HG23 ILE 70 HG23 ILE 70 -5.741 10.225 6.138 509 HD11 ILE 70 HD11 ILE 70 -4.405 13.083 4.350 510 HD12 ILE 70 HD12 ILE 70 -5.357 12.089 5.457 511 HD13 ILE 70 HD13 ILE 70 -5.309 11.701 3.736 512 H ASP 71 HN ASP 71 -3.090 6.847 3.972 513 HA ASP 71 HA ASP 71 -4.293 5.332 6.149 514 HB2 ASP 71 HB2 ASP 71 -4.298 4.846 3.154 515 HB3 ASP 71 HB1 ASP 71 -5.130 3.863 4.343 516 H CYS 72 HN CYS 72 -1.236 5.638 5.217 517 HA CYS 72 HA CYS 72 -0.573 2.878 5.795 518 HB2 CYS 72 HB2 CYS 72 0.321 4.182 3.213 519 HB3 CYS 72 HB1 CYS 72 0.905 2.639 3.830 520 HG CYS 72 HG CYS 72 -2.262 2.254 3.811 521 H THR 73 HN THR 73 0.605 3.303 7.525 522 HA THR 73 HA THR 73 2.313 5.670 7.555 523 HB THR 73 HB THR 73 2.587 5.051 9.989 524 HG1 THR 73 HG1 THR 73 0.374 3.359 9.815 525 HG21 THR 73 HG21 THR 73 -0.229 5.425 8.957 526 HG22 THR 73 HG22 THR 73 0.936 6.700 9.308 527 HG23 THR 73 HG23 THR 73 0.294 5.708 10.619 528 H THR 74 HN THR 74 2.888 2.410 8.938 529 HA THR 74 HA THR 74 5.612 2.486 7.917 530 HB THR 74 HB THR 74 5.886 0.314 9.055 531 HG1 THR 74 HG1 THR 74 3.697 0.209 10.547 532 HG21 THR 74 HG21 THR 74 6.307 2.367 10.312 533 HG22 THR 74 HG22 THR 74 5.642 1.117 11.362 534 HG23 THR 74 HG23 THR 74 4.613 2.434 10.794 535 H VAL 75 HN VAL 75 6.242 0.026 7.026 536 HA VAL 75 HA VAL 75 4.744 -0.122 4.588 537 HB VAL 75 HB VAL 75 7.189 -1.543 5.565 538 HG11 VAL 75 HG11 VAL 75 7.309 -2.685 3.389 539 HG12 VAL 75 HG12 VAL 75 5.675 -2.134 3.028 540 HG13 VAL 75 HG13 VAL 75 5.957 -3.244 4.370 541 HG21 VAL 75 HG21 VAL 75 6.565 0.266 3.234 542 HG22 VAL 75 HG22 VAL 75 8.151 -0.446 3.575 543 HG23 VAL 75 HG23 VAL 75 7.442 0.709 4.704 544 H ARG 76 HN ARG 76 5.294 -2.190 7.399 545 HA ARG 76 HA ARG 76 3.710 -4.361 6.739 546 HB2 ARG 76 HB2 ARG 76 5.057 -4.341 8.745 547 HB3 ARG 76 HB1 ARG 76 4.118 -3.009 9.414 548 HG2 ARG 76 HG2 ARG 76 3.356 -4.941 10.510 549 HG3 ARG 76 HG1 ARG 76 2.123 -4.553 9.313 550 HD2 ARG 76 HD2 ARG 76 3.206 -6.230 7.785 551 HD3 ARG 76 HD1 ARG 76 4.215 -6.712 9.153 552 HE ARG 76 HE ARG 76 1.262 -6.876 9.189 553 HH11 ARG 76 HH11 ARG 76 4.410 -8.195 9.940 554 HH12 ARG 76 HH12 ARG 76 3.778 -9.644 10.655 555 HH21 ARG 76 HH21 ARG 76 0.415 -8.758 10.129 556 HH22 ARG 76 HH22 ARG 76 1.504 -9.961 10.767 557 H ALA 77 HN ALA 77 2.798 -1.146 7.778 558 HA ALA 77 HA ALA 77 0.116 -1.566 8.415 559 HB1 ALA 77 HB1 ALA 77 -0.190 0.812 7.993 560 HB2 ALA 77 HB2 ALA 77 1.361 0.871 7.156 561 HB3 ALA 77 HB3 ALA 77 1.304 0.516 8.883 562 H LEU 78 HN LEU 78 1.691 -1.305 5.303 563 HA LEU 78 HA LEU 78 -0.784 -0.953 3.837 564 HB2 LEU 78 HB2 LEU 78 1.810 -0.369 3.354 565 HB3 LEU 78 HB1 LEU 78 1.670 -1.873 2.477 566 HG LEU 78 HG LEU 78 -0.205 0.421 2.046 567 HD11 LEU 78 HD11 LEU 78 1.291 0.934 0.076 568 HD12 LEU 78 HD12 LEU 78 2.495 -0.135 0.809 569 HD13 LEU 78 HD13 LEU 78 1.979 1.322 1.655 570 HD21 LEU 78 HD21 LEU 78 -0.471 -0.595 -0.152 571 HD22 LEU 78 HD22 LEU 78 -0.943 -1.698 1.156 572 HD23 LEU 78 HD23 LEU 78 0.609 -1.908 0.334 573 H LYS 79 HN LYS 79 1.661 -3.392 4.340 574 HA LYS 79 HA LYS 79 0.682 -5.574 2.970 575 HB2 LYS 79 HB2 LYS 79 1.931 -5.638 5.724 576 HB3 LYS 79 HB1 LYS 79 1.975 -6.920 4.517 577 HG2 LYS 79 HG2 LYS 79 3.091 -4.319 3.684 578 HG3 LYS 79 HG1 LYS 79 3.983 -5.180 4.938 579 HD2 LYS 79 HD2 LYS 79 4.109 -7.156 3.498 580 HD3 LYS 79 HD1 LYS 79 3.185 -6.305 2.251 581 HE2 LYS 79 HE2 LYS 79 4.943 -5.085 1.590 582 HE3 LYS 79 HE1 LYS 79 5.531 -4.862 3.247 583 HZ1 LYS 79 HZ1 LYS 79 5.829 -7.405 1.709 584 HZ2 LYS 79 HZ2 LYS 79 6.565 -7.012 3.184 585 HZ3 LYS 79 HZ3 LYS 79 7.022 -6.207 1.771 586 H ASP 80 HN ASP 80 0.198 -4.860 6.403 587 HA ASP 80 HA ASP 80 -1.627 -6.990 6.787 588 HB2 ASP 80 HB2 ASP 80 -0.042 -5.658 8.456 589 HB3 ASP 80 HB1 ASP 80 -1.513 -4.730 8.728 590 H PHE 81 HN PHE 81 -1.995 -3.732 5.743 591 HA PHE 81 HA PHE 81 -4.700 -3.303 6.406 592 HB2 PHE 81 HB2 PHE 81 -3.262 -1.491 5.532 593 HB3 PHE 81 HB1 PHE 81 -3.178 -2.305 3.971 594 HD1 PHE 81 HD1 PHE 81 -5.430 -0.555 6.320 595 HD2 PHE 81 HD2 PHE 81 -4.916 -2.096 2.383 596 HE1 PHE 81 HE1 PHE 81 -7.436 0.663 5.585 597 HE2 PHE 81 HE2 PHE 81 -6.925 -0.879 1.642 598 HZ PHE 81 HZ PHE 81 -8.248 0.415 3.272 599 H MET 82 HN MET 82 -3.130 -4.759 3.606 600 HA MET 82 HA MET 82 -5.355 -5.463 2.099 601 HB2 MET 82 HB2 MET 82 -2.890 -7.143 2.461 602 HB3 MET 82 HB1 MET 82 -3.993 -7.162 1.093 603 HG2 MET 82 HG2 MET 82 -3.342 -4.680 0.789 604 HG3 MET 82 HG1 MET 82 -1.998 -5.078 1.868 605 HE1 MET 82 HE1 MET 82 -2.620 -4.421 -1.575 606 HE2 MET 82 HE2 MET 82 -1.057 -4.997 -2.148 607 HE3 MET 82 HE3 MET 82 -1.143 -3.946 -0.733 608 H LEU 83 HN LEU 83 -3.963 -7.116 4.890 609 HA LEU 83 HA LEU 83 -5.766 -9.341 4.722 610 HB2 LEU 83 HB2 LEU 83 -3.857 -8.417 6.876 611 HB3 LEU 83 HB1 LEU 83 -4.825 -9.867 7.022 612 HG LEU 83 HG LEU 83 -3.643 -10.748 4.969 613 HD11 LEU 83 HD11 LEU 83 -1.852 -8.376 5.414 614 HD12 LEU 83 HD12 LEU 83 -2.878 -8.670 4.011 615 HD13 LEU 83 HD13 LEU 83 -1.518 -9.740 4.346 616 HD21 LEU 83 HD21 LEU 83 -1.611 -11.363 6.165 617 HD22 LEU 83 HD22 LEU 83 -3.003 -11.430 7.248 618 HD23 LEU 83 HD23 LEU 83 -1.881 -10.068 7.330 619 H GLY 84 HN GLY 84 -5.494 -6.459 6.780 620 HA2 GLY 84 HA2 GLY 84 -8.245 -7.005 7.723 621 HA3 GLY 84 HA1 GLY 84 -6.983 -6.467 8.820 622 H SER 85 HN SER 85 -8.928 -5.561 6.050 623 HA SER 85 HA SER 85 -8.104 -2.799 6.132 624 HB2 SER 85 HB2 SER 85 -9.910 -2.574 4.382 625 HB3 SER 85 HB1 SER 85 -8.596 -3.679 3.981 626 HG SER 85 HG SER 85 -11.192 -4.331 4.925 627 H GLY 86 HN GLY 86 -8.883 -2.823 8.578 628 HA2 GLY 86 HA2 GLY 86 -11.182 -1.145 8.664 629 HA3 GLY 86 HA1 GLY 86 -11.558 -2.741 9.299 630 H ASP 87 HN ASP 87 -9.773 0.209 9.802 631 HA ASP 87 HA ASP 87 -8.382 -0.583 12.152 632 HB2 ASP 87 HB2 ASP 87 -9.256 2.229 11.479 633 HB3 ASP 87 HB1 ASP 87 -7.902 1.743 12.488 634 H ALA 88 HN ALA 88 -11.399 1.162 11.586 635 HA ALA 88 HA ALA 88 -11.924 1.276 14.457 636 HB1 ALA 88 HB1 ALA 88 -13.438 2.532 12.172 637 HB2 ALA 88 HB2 ALA 88 -12.163 3.317 13.101 638 HB3 ALA 88 HB3 ALA 88 -13.672 2.854 13.891 639 H GLY 89 HN GLY 89 -12.134 -1.204 12.794 640 HA2 GLY 89 HA2 GLY 89 -14.883 -1.821 12.447 641 HA3 GLY 89 HA1 GLY 89 -13.563 -2.980 12.496 642 H282 PNS 90 H28A PNS 44 -0.645 14.849 -4.421 643 H281 PNS 90 H28B PNS 44 -2.210 14.053 -4.622 644 H303 PNS 90 H30A PNS 44 -0.190 16.995 -5.473 645 H302 PNS 90 H30B PNS 44 -1.540 17.665 -4.560 646 H301 PNS 90 H30C PNS 44 -1.465 17.885 -6.309 647 H313 PNS 90 H31A PNS 44 -0.498 15.105 -6.957 648 H312 PNS 90 H31B PNS 44 -1.836 15.870 -7.821 649 H311 PNS 90 H31C PNS 44 -2.055 14.286 -7.073 650 H32 PNS 90 H32A PNS 44 -3.898 16.474 -4.793 651 H33 PNS 90 H33A PNS 44 -3.464 17.131 -7.539 652 H36 PNS 90 H36A PNS 44 -5.414 16.261 -7.435 653 H372 PNS 90 H37A PNS 44 -5.578 13.656 -8.396 654 H371 PNS 90 H37B PNS 44 -6.667 13.776 -7.015 655 H382 PNS 90 H38A PNS 44 -7.775 15.701 -8.094 656 H381 PNS 90 H38B PNS 44 -6.732 15.493 -9.496 657 H41 PNS 90 H41A PNS 44 -7.033 12.487 -8.738 658 H422 PNS 90 H42A PNS 44 -9.745 11.857 -9.490 659 H421 PNS 90 H42B PNS 44 -8.538 11.510 -10.726 660 H431 PNS 90 H43A PNS 44 -8.624 10.395 -7.930 661 H432 PNS 90 H43B PNS 44 -7.326 10.111 -9.086 662 H44 PNS 90 H1 PNS 44 -8.963 8.780 -10.931 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -17.298 5.198 -0.725 2 H2 ALA 1 HT2 ALA 1 -18.746 4.911 -1.558 3 H3 ALA 1 HT3 ALA 1 -17.504 3.748 -1.583 4 HA ALA 1 HA ALA 1 -19.064 4.591 0.796 5 HB1 ALA 1 HB1 ALA 1 -19.046 1.957 -0.686 6 HB2 ALA 1 HB2 ALA 1 -20.326 3.169 -0.767 7 HB3 ALA 1 HB3 ALA 1 -19.988 2.342 0.754 8 H MET 2 HN MET 2 -18.629 3.100 2.648 9 HA MET 2 HA MET 2 -15.793 3.006 3.038 10 HB2 MET 2 HB2 MET 2 -16.357 2.283 5.348 11 HB3 MET 2 HB1 MET 2 -17.156 3.774 4.875 12 HG2 MET 2 HG2 MET 2 -18.496 1.084 4.762 13 HG3 MET 2 HG1 MET 2 -18.551 2.138 6.174 14 HE1 MET 2 HE1 MET 2 -18.732 5.025 4.928 15 HE2 MET 2 HE2 MET 2 -19.754 4.465 6.252 16 HE3 MET 2 HE3 MET 2 -20.479 5.249 4.850 17 H ALA 3 HN ALA 3 -14.483 1.225 2.956 18 HA ALA 3 HA ALA 3 -15.609 -1.427 3.226 19 HB1 ALA 3 HB1 ALA 3 -15.744 -1.067 0.818 20 HB2 ALA 3 HB2 ALA 3 -14.502 -2.260 1.200 21 HB3 ALA 3 HB3 ALA 3 -14.039 -0.612 0.773 22 H LYS 4 HN LYS 4 -14.232 -2.720 4.273 23 HA LYS 4 HA LYS 4 -11.434 -1.928 4.533 24 HB2 LYS 4 HB2 LYS 4 -12.672 -0.747 6.323 25 HB3 LYS 4 HB1 LYS 4 -13.268 -2.290 6.912 26 HG2 LYS 4 HG2 LYS 4 -11.218 -2.897 7.779 27 HG3 LYS 4 HG1 LYS 4 -10.328 -1.814 6.703 28 HD2 LYS 4 HD2 LYS 4 -11.145 0.116 7.921 29 HD3 LYS 4 HD1 LYS 4 -12.131 -0.916 8.954 30 HE2 LYS 4 HE2 LYS 4 -9.195 -1.404 8.796 31 HE3 LYS 4 HE1 LYS 4 -9.787 -0.050 9.756 32 HZ1 LYS 4 HZ1 LYS 4 -11.014 -1.489 11.128 33 HZ2 LYS 4 HZ2 LYS 4 -9.483 -2.208 10.969 34 HZ3 LYS 4 HZ3 LYS 4 -10.804 -2.817 10.096 35 H GLY 5 HN GLY 5 -10.099 -3.627 4.666 36 HA2 GLY 5 HA2 GLY 5 -9.428 -5.836 5.047 37 HA3 GLY 5 HA1 GLY 5 -11.084 -6.230 5.496 38 H VAL 6 HN VAL 6 -9.000 -5.494 2.743 39 HA VAL 6 HA VAL 6 -10.900 -6.116 0.733 40 HB VAL 6 HB VAL 6 -7.895 -6.176 0.553 41 HG11 VAL 6 HG11 VAL 6 -8.236 -5.801 -1.843 42 HG12 VAL 6 HG12 VAL 6 -9.979 -5.925 -1.607 43 HG13 VAL 6 HG13 VAL 6 -8.947 -7.325 -1.311 44 HG21 VAL 6 HG21 VAL 6 -8.096 -3.885 -0.314 45 HG22 VAL 6 HG22 VAL 6 -8.673 -4.018 1.347 46 HG23 VAL 6 HG23 VAL 6 -9.829 -3.927 0.017 47 H GLY 7 HN GLY 7 -8.004 -7.953 1.742 48 HA2 GLY 7 HA2 GLY 7 -7.999 -10.299 2.182 49 HA3 GLY 7 HA1 GLY 7 -9.498 -10.443 1.268 50 H VAL 8 HN VAL 8 -6.020 -10.091 1.041 51 HA VAL 8 HA VAL 8 -6.215 -10.708 -1.832 52 HB VAL 8 HB VAL 8 -4.279 -9.462 -2.319 53 HG11 VAL 8 HG11 VAL 8 -6.144 -7.998 -1.920 54 HG12 VAL 8 HG12 VAL 8 -4.650 -7.220 -1.396 55 HG13 VAL 8 HG13 VAL 8 -5.750 -7.908 -0.204 56 HG21 VAL 8 HG21 VAL 8 -2.766 -8.512 -0.619 57 HG22 VAL 8 HG22 VAL 8 -2.803 -10.272 -0.597 58 HG23 VAL 8 HG23 VAL 8 -3.677 -9.354 0.635 59 H SER 9 HN SER 9 -4.585 -12.126 -2.695 60 HA SER 9 HA SER 9 -3.600 -14.033 -0.733 61 HB2 SER 9 HB2 SER 9 -4.731 -14.685 -2.948 62 HB3 SER 9 HB1 SER 9 -3.228 -14.188 -3.727 63 HG SER 9 HG SER 9 -2.393 -16.023 -3.149 64 H ASN 10 HN ASN 10 -1.255 -14.896 -1.405 65 HA ASN 10 HA ASN 10 0.476 -12.734 -0.772 66 HB2 ASN 10 HB2 ASN 10 1.146 -15.560 -1.641 67 HB3 ASN 10 HB1 ASN 10 2.310 -14.392 -1.024 68 HD21 ASN 10 HD21 ASN 10 2.286 -13.845 1.161 69 HD22 ASN 10 HD22 ASN 10 1.436 -14.790 2.333 70 H GLU 11 HN GLU 11 -0.535 -14.222 -3.695 71 HA GLU 11 HA GLU 11 1.340 -13.265 -5.513 72 HB2 GLU 11 HB2 GLU 11 -0.263 -14.760 -6.347 73 HB3 GLU 11 HB1 GLU 11 -1.593 -13.880 -5.615 74 HG2 GLU 11 HG2 GLU 11 -0.392 -12.130 -7.459 75 HG3 GLU 11 HG1 GLU 11 -0.566 -13.695 -8.264 76 H LYS 12 HN LYS 12 -1.590 -11.696 -4.245 77 HA LYS 12 HA LYS 12 -1.138 -9.313 -5.750 78 HB2 LYS 12 HB2 LYS 12 -3.391 -10.110 -4.872 79 HB3 LYS 12 HB1 LYS 12 -2.866 -9.565 -3.285 80 HG2 LYS 12 HG2 LYS 12 -4.201 -7.826 -4.138 81 HG3 LYS 12 HG1 LYS 12 -2.537 -7.274 -4.313 82 HD2 LYS 12 HD2 LYS 12 -3.513 -6.688 -6.336 83 HD3 LYS 12 HD1 LYS 12 -2.706 -8.208 -6.709 84 HE2 LYS 12 HE2 LYS 12 -5.614 -8.061 -5.936 85 HE3 LYS 12 HE1 LYS 12 -5.075 -7.900 -7.604 86 HZ1 LYS 12 HZ1 LYS 12 -4.685 -10.257 -5.838 87 HZ2 LYS 12 HZ2 LYS 12 -4.032 -10.106 -7.392 88 HZ3 LYS 12 HZ3 LYS 12 -5.711 -10.147 -7.178 89 H LEU 13 HN LEU 13 -0.122 -10.509 -2.673 90 HA LEU 13 HA LEU 13 0.933 -8.036 -1.701 91 HB2 LEU 13 HB2 LEU 13 0.466 -10.090 -0.319 92 HB3 LEU 13 HB1 LEU 13 1.895 -10.826 -1.016 93 HG LEU 13 HG LEU 13 2.946 -8.515 -0.122 94 HD11 LEU 13 HD11 LEU 13 0.850 -7.736 0.846 95 HD12 LEU 13 HD12 LEU 13 2.049 -8.042 2.101 96 HD13 LEU 13 HD13 LEU 13 0.751 -9.201 1.827 97 HD21 LEU 13 HD21 LEU 13 2.544 -11.059 1.439 98 HD22 LEU 13 HD22 LEU 13 3.741 -9.816 1.809 99 HD23 LEU 13 HD23 LEU 13 3.840 -10.713 0.291 100 H ASP 14 HN ASP 14 2.080 -10.512 -3.895 101 HA ASP 14 HA ASP 14 4.822 -9.679 -3.892 102 HB2 ASP 14 HB2 ASP 14 3.674 -11.928 -4.679 103 HB3 ASP 14 HB1 ASP 14 3.574 -11.125 -6.214 104 H ALA 15 HN ALA 15 1.918 -8.721 -5.375 105 HA ALA 15 HA ALA 15 3.166 -7.359 -7.610 106 HB1 ALA 15 HB1 ALA 15 0.284 -7.317 -6.706 107 HB2 ALA 15 HB2 ALA 15 0.966 -8.486 -7.835 108 HB3 ALA 15 HB3 ALA 15 0.905 -6.776 -8.266 109 H VAL 16 HN VAL 16 1.733 -6.582 -4.509 110 HA VAL 16 HA VAL 16 1.562 -3.785 -4.937 111 HB VAL 16 HB VAL 16 0.113 -4.750 -3.299 112 HG11 VAL 16 HG11 VAL 16 1.476 -6.659 -2.639 113 HG12 VAL 16 HG12 VAL 16 0.954 -5.756 -1.217 114 HG13 VAL 16 HG13 VAL 16 2.606 -5.585 -1.813 115 HG21 VAL 16 HG21 VAL 16 2.228 -3.062 -1.962 116 HG22 VAL 16 HG22 VAL 16 0.593 -3.330 -1.349 117 HG23 VAL 16 HG23 VAL 16 0.836 -2.469 -2.869 118 H MET 17 HN MET 17 3.991 -5.824 -3.347 119 HA MET 17 HA MET 17 5.388 -3.755 -2.082 120 HB2 MET 17 HB2 MET 17 6.422 -6.444 -3.018 121 HB3 MET 17 HB1 MET 17 7.259 -5.366 -1.922 122 HG2 MET 17 HG2 MET 17 5.457 -5.562 -0.306 123 HG3 MET 17 HG1 MET 17 4.594 -6.631 -1.405 124 HE1 MET 17 HE1 MET 17 8.622 -7.733 0.566 125 HE2 MET 17 HE2 MET 17 7.752 -6.247 0.942 126 HE3 MET 17 HE3 MET 17 8.445 -6.478 -0.663 127 H ARG 18 HN ARG 18 5.603 -4.955 -5.367 128 HA ARG 18 HA ARG 18 8.027 -3.493 -5.884 129 HB2 ARG 18 HB2 ARG 18 7.457 -4.266 -8.309 130 HB3 ARG 18 HB1 ARG 18 8.051 -5.419 -7.121 131 HG2 ARG 18 HG2 ARG 18 5.889 -6.311 -6.780 132 HG3 ARG 18 HG1 ARG 18 5.136 -4.984 -7.672 133 HD2 ARG 18 HD2 ARG 18 5.973 -5.788 -9.729 134 HD3 ARG 18 HD1 ARG 18 7.097 -6.883 -8.927 135 HE ARG 18 HE ARG 18 4.986 -8.040 -8.122 136 HH11 ARG 18 HH11 ARG 18 5.192 -6.303 -11.160 137 HH12 ARG 18 HH12 ARG 18 4.038 -7.328 -11.969 138 HH21 ARG 18 HH21 ARG 18 3.471 -9.389 -9.195 139 HH22 ARG 18 HH22 ARG 18 3.051 -9.068 -10.851 140 H VAL 19 HN VAL 19 4.628 -2.814 -6.115 141 HA VAL 19 HA VAL 19 5.073 -0.587 -7.914 142 HB VAL 19 HB VAL 19 2.709 -1.311 -6.168 143 HG11 VAL 19 HG11 VAL 19 1.491 0.447 -7.347 144 HG12 VAL 19 HG12 VAL 19 2.963 0.888 -8.217 145 HG13 VAL 19 HG13 VAL 19 2.874 1.114 -6.471 146 HG21 VAL 19 HG21 VAL 19 3.159 -2.804 -8.085 147 HG22 VAL 19 HG22 VAL 19 3.049 -1.413 -9.165 148 HG23 VAL 19 HG23 VAL 19 1.635 -1.929 -8.243 149 H VAL 20 HN VAL 20 4.917 -1.288 -4.541 150 HA VAL 20 HA VAL 20 5.101 1.354 -3.537 151 HB VAL 20 HB VAL 20 5.684 -1.380 -2.413 152 HG11 VAL 20 HG11 VAL 20 7.426 0.078 -1.487 153 HG12 VAL 20 HG12 VAL 20 6.253 -0.396 -0.257 154 HG13 VAL 20 HG13 VAL 20 6.189 1.220 -0.963 155 HG21 VAL 20 HG21 VAL 20 3.761 0.823 -1.660 156 HG22 VAL 20 HG22 VAL 20 3.911 -0.727 -0.829 157 HG23 VAL 20 HG23 VAL 20 3.367 -0.676 -2.505 158 H SER 21 HN SER 21 7.499 -1.045 -4.589 159 HA SER 21 HA SER 21 9.759 0.273 -3.499 160 HB2 SER 21 HB2 SER 21 11.054 -1.151 -5.087 161 HB3 SER 21 HB1 SER 21 9.877 -2.094 -4.167 162 HG SER 21 HG SER 21 9.973 -1.479 -6.880 163 H GLU 22 HN GLU 22 8.386 0.244 -6.743 164 HA GLU 22 HA GLU 22 10.227 1.958 -7.945 165 HB2 GLU 22 HB2 GLU 22 7.320 1.572 -8.655 166 HB3 GLU 22 HB1 GLU 22 8.554 2.260 -9.705 167 HG2 GLU 22 HG2 GLU 22 8.332 -0.568 -8.716 168 HG3 GLU 22 HG1 GLU 22 8.247 0.013 -10.378 169 H GLU 23 HN GLU 23 7.235 2.730 -6.216 170 HA GLU 23 HA GLU 23 7.426 5.515 -6.907 171 HB2 GLU 23 HB2 GLU 23 5.585 3.969 -5.094 172 HB3 GLU 23 HB1 GLU 23 5.537 5.716 -5.177 173 HG2 GLU 23 HG2 GLU 23 5.088 3.844 -7.496 174 HG3 GLU 23 HG1 GLU 23 3.842 4.713 -6.605 175 H SER 24 HN SER 24 8.403 3.528 -4.174 176 HA SER 24 HA SER 24 8.849 5.821 -2.486 177 HB2 SER 24 HB2 SER 24 9.780 4.181 -0.884 178 HB3 SER 24 HB1 SER 24 8.165 3.747 -1.431 179 HG SER 24 HG SER 24 8.948 2.081 -2.520 180 H GLY 25 HN GLY 25 10.855 3.525 -4.279 181 HA2 GLY 25 HA2 GLY 25 12.945 4.259 -5.282 182 HA3 GLY 25 HA1 GLY 25 13.122 5.406 -3.959 183 H ILE 26 HN ILE 26 11.950 2.537 -2.764 184 HA ILE 26 HA ILE 26 14.607 1.758 -1.799 185 HB ILE 26 HB ILE 26 12.049 0.487 -0.861 186 HG12 ILE 26 HG12 ILE 26 13.157 2.985 0.426 187 HG13 ILE 26 HG11 ILE 26 11.896 3.065 -0.815 188 HG21 ILE 26 HG21 ILE 26 14.156 -0.465 -0.127 189 HG22 ILE 26 HG22 ILE 26 13.309 0.271 1.235 190 HG23 ILE 26 HG23 ILE 26 14.673 1.104 0.490 191 HD11 ILE 26 HD11 ILE 26 10.396 1.804 0.574 192 HD12 ILE 26 HD12 ILE 26 11.040 3.156 1.509 193 HD13 ILE 26 HD13 ILE 26 11.665 1.525 1.768 194 H ALA 27 HN ALA 27 15.526 -0.158 -2.349 195 HA ALA 27 HA ALA 27 14.578 -1.664 -4.529 196 HB1 ALA 27 HB1 ALA 27 16.571 -2.474 -2.418 197 HB2 ALA 27 HB2 ALA 27 16.947 -1.543 -3.868 198 HB3 ALA 27 HB3 ALA 27 16.378 -3.208 -4.009 199 H LEU 28 HN LEU 28 13.528 -3.598 -4.660 200 HA LEU 28 HA LEU 28 11.517 -4.164 -2.825 201 HB2 LEU 28 HB2 LEU 28 11.355 -4.867 -5.116 202 HB3 LEU 28 HB1 LEU 28 12.798 -5.848 -4.975 203 HG LEU 28 HG LEU 28 11.564 -7.345 -3.404 204 HD11 LEU 28 HD11 LEU 28 9.075 -7.210 -3.488 205 HD12 LEU 28 HD12 LEU 28 9.242 -5.607 -4.204 206 HD13 LEU 28 HD13 LEU 28 9.848 -5.915 -2.575 207 HD21 LEU 28 HD21 LEU 28 11.818 -7.932 -5.730 208 HD22 LEU 28 HD22 LEU 28 10.397 -6.974 -6.149 209 HD23 LEU 28 HD23 LEU 28 10.222 -8.420 -5.154 210 H GLU 29 HN GLU 29 14.785 -5.434 -3.069 211 HA GLU 29 HA GLU 29 14.425 -7.633 -1.286 212 HB2 GLU 29 HB2 GLU 29 17.001 -6.212 -1.944 213 HB3 GLU 29 HB1 GLU 29 16.799 -7.862 -1.362 214 HG2 GLU 29 HG2 GLU 29 15.630 -6.947 -3.961 215 HG3 GLU 29 HG1 GLU 29 17.286 -7.546 -3.842 216 H GLU 30 HN GLU 30 14.525 -4.327 -0.739 217 HA GLU 30 HA GLU 30 15.569 -4.669 2.000 218 HB2 GLU 30 HB2 GLU 30 15.295 -2.089 0.449 219 HB3 GLU 30 HB1 GLU 30 16.044 -2.292 2.031 220 HG2 GLU 30 HG2 GLU 30 17.780 -3.702 0.948 221 HG3 GLU 30 HG1 GLU 30 17.062 -3.285 -0.612 222 H LEU 31 HN LEU 31 12.745 -4.467 0.353 223 HA LEU 31 HA LEU 31 11.422 -2.417 1.841 224 HB2 LEU 31 HB2 LEU 31 10.767 -3.179 -0.456 225 HB3 LEU 31 HB1 LEU 31 10.164 -4.667 0.259 226 HG LEU 31 HG LEU 31 8.581 -3.316 1.618 227 HD11 LEU 31 HD11 LEU 31 9.803 -1.221 1.644 228 HD12 LEU 31 HD12 LEU 31 8.188 -0.981 0.974 229 HD13 LEU 31 HD13 LEU 31 9.589 -1.053 -0.098 230 HD21 LEU 31 HD21 LEU 31 8.414 -2.973 -1.363 231 HD22 LEU 31 HD22 LEU 31 7.075 -2.774 -0.235 232 HD23 LEU 31 HD23 LEU 31 7.837 -4.352 -0.430 233 H THR 32 HN THR 32 11.465 -2.736 3.957 234 HA THR 32 HA THR 32 10.145 -5.139 5.037 235 HB THR 32 HB THR 32 11.640 -4.975 7.000 236 HG1 THR 32 HG1 THR 32 13.224 -3.087 5.618 237 HG21 THR 32 HG21 THR 32 13.197 -5.025 4.391 238 HG22 THR 32 HG22 THR 32 12.434 -6.415 5.172 239 HG23 THR 32 HG23 THR 32 13.790 -5.603 5.949 240 H ASP 33 HN ASP 33 9.119 -4.678 7.228 241 HA ASP 33 HA ASP 33 7.631 -2.246 7.161 242 HB2 ASP 33 HB2 ASP 33 6.626 -2.990 9.227 243 HB3 ASP 33 HB1 ASP 33 6.791 -4.383 8.159 244 H ASP 34 HN ASP 34 10.729 -2.919 8.109 245 HA ASP 34 HA ASP 34 11.105 -1.043 10.212 246 HB2 ASP 34 HB2 ASP 34 12.729 -2.801 9.839 247 HB3 ASP 34 HB1 ASP 34 12.993 -2.264 8.182 248 H SER 35 HN SER 35 10.716 -0.845 6.800 249 HA SER 35 HA SER 35 11.803 1.831 6.546 250 HB2 SER 35 HB2 SER 35 10.069 0.296 4.599 251 HB3 SER 35 HB1 SER 35 11.111 1.670 4.236 252 HG SER 35 HG SER 35 12.564 -0.216 5.436 253 H ASN 36 HN ASN 36 10.596 3.707 6.163 254 HA ASN 36 HA ASN 36 7.809 3.562 7.125 255 HB2 ASN 36 HB2 ASN 36 9.448 4.326 8.896 256 HB3 ASN 36 HB1 ASN 36 9.838 5.688 7.861 257 HD21 ASN 36 HD21 ASN 36 6.628 4.318 8.261 258 HD22 ASN 36 HD22 ASN 36 5.949 5.688 9.070 259 H PHE 37 HN PHE 37 6.462 4.449 5.639 260 HA PHE 37 HA PHE 37 7.326 5.444 3.211 261 HB2 PHE 37 HB2 PHE 37 4.712 5.625 4.666 262 HB3 PHE 37 HB1 PHE 37 4.934 6.535 3.173 263 HD1 PHE 37 HD1 PHE 37 6.587 4.681 1.608 264 HD2 PHE 37 HD2 PHE 37 3.201 3.936 4.070 265 HE1 PHE 37 HE1 PHE 37 6.047 2.712 0.247 266 HE2 PHE 37 HE2 PHE 37 2.651 1.949 2.716 267 HZ PHE 37 HZ PHE 37 4.075 1.337 0.802 268 H ALA 38 HN ALA 38 6.218 7.273 6.035 269 HA ALA 38 HA ALA 38 6.545 9.813 4.825 270 HB1 ALA 38 HB1 ALA 38 6.231 10.689 7.093 271 HB2 ALA 38 HB2 ALA 38 6.384 9.054 7.737 272 HB3 ALA 38 HB3 ALA 38 5.030 9.464 6.682 273 H ASP 39 HN ASP 39 8.704 7.727 6.618 274 HA ASP 39 HA ASP 39 10.693 9.733 7.123 275 HB2 ASP 39 HB2 ASP 39 10.464 7.709 8.542 276 HB3 ASP 39 HB1 ASP 39 10.956 6.715 7.176 277 H MET 40 HN MET 40 9.945 7.510 4.600 278 HA MET 40 HA MET 40 12.514 7.768 3.294 279 HB2 MET 40 HB2 MET 40 10.013 6.224 2.778 280 HB3 MET 40 HB1 MET 40 11.040 6.585 1.398 281 HG2 MET 40 HG2 MET 40 11.539 4.400 2.328 282 HG3 MET 40 HG1 MET 40 12.921 5.480 2.470 283 HE1 MET 40 HE1 MET 40 13.426 3.348 5.644 284 HE2 MET 40 HE2 MET 40 14.206 4.107 4.256 285 HE3 MET 40 HE3 MET 40 12.992 2.853 4.009 286 H GLY 41 HN GLY 41 9.616 9.525 3.371 287 HA2 GLY 41 HA2 GLY 41 9.649 11.758 2.435 288 HA3 GLY 41 HA1 GLY 41 10.635 11.144 1.115 289 H ILE 42 HN ILE 42 7.964 9.212 2.082 290 HA ILE 42 HA ILE 42 6.687 9.516 -0.446 291 HB ILE 42 HB ILE 42 5.767 8.142 2.093 292 HG12 ILE 42 HG12 ILE 42 7.788 7.259 0.880 293 HG13 ILE 42 HG11 ILE 42 6.457 6.111 1.007 294 HG21 ILE 42 HG21 ILE 42 4.107 7.014 0.589 295 HG22 ILE 42 HG22 ILE 42 4.490 8.225 -0.635 296 HG23 ILE 42 HG23 ILE 42 3.782 8.720 0.904 297 HD11 ILE 42 HD11 ILE 42 5.830 6.575 -1.298 298 HD12 ILE 42 HD12 ILE 42 7.510 6.050 -1.198 299 HD13 ILE 42 HD13 ILE 42 7.131 7.758 -1.427 300 H ASP 43 HN ASP 43 5.765 11.338 -0.954 301 HA ASP 43 HA ASP 43 4.321 12.946 0.999 302 HB2 ASP 43 HB2 ASP 43 5.770 14.115 -0.542 303 HB3 ASP 43 HB1 ASP 43 4.995 13.349 -1.922 304 H SER 44 HN SER 44 2.156 13.873 0.210 305 HA SER 44 HA SER 44 0.239 11.876 -0.039 306 HB2 SER 44 HB2 SER 44 -0.359 14.027 0.800 307 HB3 SER 44 HB1 SER 44 0.122 14.818 -0.701 308 H LEU 45 HN LEU 45 1.872 13.777 -2.529 309 HA LEU 45 HA LEU 45 0.327 13.010 -4.741 310 HB2 LEU 45 HB2 LEU 45 2.102 14.809 -4.667 311 HB3 LEU 45 HB1 LEU 45 3.316 13.543 -4.690 312 HG LEU 45 HG LEU 45 2.856 14.737 -6.876 313 HD11 LEU 45 HD11 LEU 45 3.029 12.696 -8.226 314 HD12 LEU 45 HD12 LEU 45 2.576 11.734 -6.818 315 HD13 LEU 45 HD13 LEU 45 4.086 12.644 -6.815 316 HD21 LEU 45 HD21 LEU 45 0.443 14.836 -6.775 317 HD22 LEU 45 HD22 LEU 45 0.346 13.075 -6.763 318 HD23 LEU 45 HD23 LEU 45 0.951 13.914 -8.191 319 H SER 46 HN SER 46 3.369 11.563 -3.540 320 HA SER 46 HA SER 46 3.331 9.446 -5.414 321 HB2 SER 46 HB2 SER 46 4.834 9.616 -2.792 322 HB3 SER 46 HB1 SER 46 5.211 8.554 -4.151 323 HG SER 46 HG SER 46 5.638 10.386 -5.409 324 H SER 47 HN SER 47 2.252 9.669 -2.049 325 HA SER 47 HA SER 47 1.816 6.893 -1.714 326 HB2 SER 47 HB2 SER 47 0.410 7.620 0.239 327 HB3 SER 47 HB1 SER 47 2.044 8.284 0.230 328 HG SER 47 HG SER 47 1.277 10.237 -0.246 329 H MET 48 HN MET 48 -0.107 9.482 -3.031 330 HA MET 48 HA MET 48 -2.559 8.013 -3.099 331 HB2 MET 48 HB2 MET 48 -2.200 10.593 -3.217 332 HB3 MET 48 HB1 MET 48 -1.821 10.332 -4.907 333 HG2 MET 48 HG2 MET 48 -4.496 9.837 -3.553 334 HG3 MET 48 HG1 MET 48 -4.089 11.123 -4.671 335 HE1 MET 48 HE1 MET 48 -6.614 9.182 -4.901 336 HE2 MET 48 HE2 MET 48 -6.638 8.857 -6.635 337 HE3 MET 48 HE3 MET 48 -6.309 10.487 -6.046 338 H VAL 49 HN VAL 49 0.133 8.571 -5.272 339 HA VAL 49 HA VAL 49 -1.026 7.438 -7.578 340 HB VAL 49 HB VAL 49 1.848 7.907 -6.752 341 HG11 VAL 49 HG11 VAL 49 2.453 7.408 -9.105 342 HG12 VAL 49 HG12 VAL 49 0.825 6.764 -9.348 343 HG13 VAL 49 HG13 VAL 49 1.918 6.001 -8.188 344 HG21 VAL 49 HG21 VAL 49 0.131 9.216 -8.872 345 HG22 VAL 49 HG22 VAL 49 1.783 9.658 -8.443 346 HG23 VAL 49 HG23 VAL 49 0.478 9.892 -7.281 347 H ILE 50 HN ILE 50 1.089 6.092 -5.049 348 HA ILE 50 HA ILE 50 1.389 3.524 -5.975 349 HB ILE 50 HB ILE 50 0.902 4.291 -3.093 350 HG12 ILE 50 HG12 ILE 50 3.506 4.060 -4.625 351 HG13 ILE 50 HG11 ILE 50 2.730 5.580 -4.196 352 HG21 ILE 50 HG21 ILE 50 2.231 2.273 -2.600 353 HG22 ILE 50 HG22 ILE 50 2.285 1.906 -4.324 354 HG23 ILE 50 HG23 ILE 50 0.743 1.895 -3.470 355 HD11 ILE 50 HD11 ILE 50 3.041 5.113 -1.843 356 HD12 ILE 50 HD12 ILE 50 4.581 4.998 -2.695 357 HD13 ILE 50 HD13 ILE 50 3.722 3.530 -2.227 358 H GLY 51 HN GLY 51 -1.167 4.608 -3.714 359 HA2 GLY 51 HA2 GLY 51 -2.673 2.224 -3.806 360 HA3 GLY 51 HA1 GLY 51 -3.281 3.796 -3.302 361 H SER 52 HN SER 52 -2.580 4.995 -5.920 362 HA SER 52 HA SER 52 -4.966 4.487 -7.302 363 HB2 SER 52 HB2 SER 52 -2.659 6.222 -7.540 364 HB3 SER 52 HB1 SER 52 -3.316 5.771 -9.107 365 HG SER 52 HG SER 52 -4.350 7.382 -7.115 366 H ARG 53 HN ARG 53 -1.592 3.484 -7.881 367 HA ARG 53 HA ARG 53 -2.115 2.194 -10.345 368 HB2 ARG 53 HB2 ARG 53 0.093 1.447 -8.428 369 HB3 ARG 53 HB1 ARG 53 0.050 1.183 -10.164 370 HG2 ARG 53 HG2 ARG 53 -0.102 3.793 -10.249 371 HG3 ARG 53 HG1 ARG 53 0.593 3.673 -8.635 372 HD2 ARG 53 HD2 ARG 53 2.526 3.738 -9.871 373 HD3 ARG 53 HD1 ARG 53 2.221 2.005 -9.827 374 HE ARG 53 HE ARG 53 1.015 3.230 -12.109 375 HH11 ARG 53 HH11 ARG 53 4.041 1.980 -10.873 376 HH12 ARG 53 HH12 ARG 53 4.680 1.605 -12.442 377 HH21 ARG 53 HH21 ARG 53 1.845 2.760 -14.170 378 HH22 ARG 53 HH22 ARG 53 3.419 2.044 -14.312 379 H PHE 54 HN PHE 54 -2.547 1.243 -7.043 380 HA PHE 54 HA PHE 54 -2.778 -1.545 -7.308 381 HB2 PHE 54 HB2 PHE 54 -4.308 0.415 -5.573 382 HB3 PHE 54 HB1 PHE 54 -4.492 -1.322 -5.454 383 HD1 PHE 54 HD1 PHE 54 -1.115 -0.802 -6.182 384 HD2 PHE 54 HD2 PHE 54 -3.971 -0.372 -3.040 385 HE1 PHE 54 HE1 PHE 54 0.692 -0.857 -4.511 386 HE2 PHE 54 HE2 PHE 54 -2.162 -0.428 -1.385 387 HZ PHE 54 HZ PHE 54 0.169 -0.679 -2.120 388 H ARG 55 HN ARG 55 -5.030 1.077 -7.954 389 HA ARG 55 HA ARG 55 -7.218 -0.683 -8.630 390 HB2 ARG 55 HB2 ARG 55 -6.956 2.292 -9.066 391 HB3 ARG 55 HB1 ARG 55 -8.443 1.354 -9.051 392 HG2 ARG 55 HG2 ARG 55 -8.114 0.852 -6.689 393 HG3 ARG 55 HG1 ARG 55 -6.612 1.771 -6.702 394 HD2 ARG 55 HD2 ARG 55 -9.301 2.942 -7.388 395 HD3 ARG 55 HD1 ARG 55 -8.582 3.010 -5.780 396 HE ARG 55 HE ARG 55 -6.654 4.091 -7.266 397 HH11 ARG 55 HH11 ARG 55 -10.101 4.660 -7.225 398 HH12 ARG 55 HH12 ARG 55 -9.963 6.331 -7.681 399 HH21 ARG 55 HH21 ARG 55 -6.443 6.309 -7.831 400 HH22 ARG 55 HH22 ARG 55 -7.880 7.275 -8.019 401 H GLU 56 HN GLU 56 -4.617 0.860 -10.259 402 HA GLU 56 HA GLU 56 -5.879 0.892 -12.859 403 HB2 GLU 56 HB2 GLU 56 -3.057 1.486 -11.961 404 HB3 GLU 56 HB1 GLU 56 -3.624 1.670 -13.613 405 HG2 GLU 56 HG2 GLU 56 -4.855 3.120 -11.296 406 HG3 GLU 56 HG1 GLU 56 -3.495 3.761 -12.214 407 H ASP 57 HN ASP 57 -3.016 -0.672 -11.470 408 HA ASP 57 HA ASP 57 -2.863 -2.461 -13.758 409 HB2 ASP 57 HB2 ASP 57 -1.035 -1.988 -11.401 410 HB3 ASP 57 HB1 ASP 57 -0.717 -3.166 -12.662 411 H LEU 58 HN LEU 58 -3.153 -2.699 -10.225 412 HA LEU 58 HA LEU 58 -3.207 -5.585 -10.348 413 HB2 LEU 58 HB2 LEU 58 -3.297 -3.573 -8.128 414 HB3 LEU 58 HB1 LEU 58 -3.765 -5.231 -7.812 415 HG LEU 58 HG LEU 58 -1.546 -6.003 -8.522 416 HD11 LEU 58 HD11 LEU 58 0.256 -4.423 -8.917 417 HD12 LEU 58 HD12 LEU 58 -0.877 -3.078 -8.781 418 HD13 LEU 58 HD13 LEU 58 -1.026 -4.225 -10.112 419 HD21 LEU 58 HD21 LEU 58 -0.291 -5.139 -6.616 420 HD22 LEU 58 HD22 LEU 58 -1.957 -5.510 -6.174 421 HD23 LEU 58 HD23 LEU 58 -1.465 -3.835 -6.431 422 H GLY 59 HN GLY 59 -5.516 -3.023 -10.198 423 HA2 GLY 59 HA2 GLY 59 -7.804 -3.073 -10.437 424 HA3 GLY 59 HA1 GLY 59 -7.695 -4.813 -10.657 425 H LEU 60 HN LEU 60 -6.616 -2.901 -7.895 426 HA LEU 60 HA LEU 60 -8.127 -4.621 -6.122 427 HB2 LEU 60 HB2 LEU 60 -6.174 -2.382 -5.648 428 HB3 LEU 60 HB1 LEU 60 -7.029 -3.183 -4.347 429 HG LEU 60 HG LEU 60 -5.144 -4.549 -6.272 430 HD11 LEU 60 HD11 LEU 60 -3.628 -4.688 -4.346 431 HD12 LEU 60 HD12 LEU 60 -4.749 -3.707 -3.400 432 HD13 LEU 60 HD13 LEU 60 -3.950 -3.017 -4.812 433 HD21 LEU 60 HD21 LEU 60 -6.461 -5.562 -3.756 434 HD22 LEU 60 HD22 LEU 60 -5.334 -6.454 -4.783 435 HD23 LEU 60 HD23 LEU 60 -6.922 -5.999 -5.402 436 H ASP 61 HN ASP 61 -9.744 -3.959 -4.722 437 HA ASP 61 HA ASP 61 -11.083 -1.467 -5.482 438 HB2 ASP 61 HB2 ASP 61 -12.110 -3.938 -4.079 439 HB3 ASP 61 HB1 ASP 61 -13.046 -2.453 -4.236 440 H LEU 62 HN LEU 62 -9.994 0.039 -4.276 441 HA LEU 62 HA LEU 62 -10.372 -0.162 -1.364 442 HB2 LEU 62 HB2 LEU 62 -8.419 1.558 -1.358 443 HB3 LEU 62 HB1 LEU 62 -8.078 -0.147 -1.527 444 HG LEU 62 HG LEU 62 -8.414 0.999 -4.129 445 HD11 LEU 62 HD11 LEU 62 -7.804 3.119 -3.123 446 HD12 LEU 62 HD12 LEU 62 -6.473 2.508 -4.106 447 HD13 LEU 62 HD13 LEU 62 -6.407 2.373 -2.350 448 HD21 LEU 62 HD21 LEU 62 -6.153 0.104 -4.429 449 HD22 LEU 62 HD22 LEU 62 -7.210 -1.060 -3.629 450 HD23 LEU 62 HD23 LEU 62 -6.027 -0.150 -2.689 451 H GLY 63 HN GLY 63 -10.017 2.169 -4.030 452 HA2 GLY 63 HA2 GLY 63 -11.993 3.720 -4.275 453 HA3 GLY 63 HA1 GLY 63 -11.812 3.963 -2.544 454 HA PRO 64 HA PRO 64 -9.066 6.920 -4.948 455 HB2 PRO 64 HB2 PRO 64 -10.560 9.142 -5.080 456 HB3 PRO 64 HB1 PRO 64 -10.722 7.829 -6.258 457 HG2 PRO 64 HG2 PRO 64 -12.450 8.492 -3.917 458 HG3 PRO 64 HG1 PRO 64 -12.919 7.935 -5.530 459 HD2 PRO 64 HD2 PRO 64 -12.722 6.332 -3.269 460 HD3 PRO 64 HD1 PRO 64 -12.683 5.741 -4.945 461 H GLU 65 HN GLU 65 -10.554 6.772 -1.973 462 HA GLU 65 HA GLU 65 -9.377 9.253 -0.981 463 HB2 GLU 65 HB2 GLU 65 -11.783 8.704 -0.522 464 HB3 GLU 65 HB1 GLU 65 -11.244 7.329 0.433 465 HG2 GLU 65 HG2 GLU 65 -10.184 8.793 2.026 466 HG3 GLU 65 HG1 GLU 65 -10.560 10.205 1.037 467 H PHE 66 HN PHE 66 -8.761 5.885 -1.044 468 HA PHE 66 HA PHE 66 -7.400 5.676 1.443 469 HB2 PHE 66 HB2 PHE 66 -8.234 3.676 0.356 470 HB3 PHE 66 HB1 PHE 66 -7.236 3.981 -1.060 471 HD1 PHE 66 HD2 PHE 66 -7.172 3.039 2.501 472 HD2 PHE 66 HD1 PHE 66 -4.974 3.263 -1.143 473 HE1 PHE 66 HE2 PHE 66 -5.377 1.701 3.499 474 HE2 PHE 66 HE1 PHE 66 -3.180 1.921 -0.140 475 HZ PHE 66 HZ PHE 66 -3.400 1.058 2.109 476 H SER 67 HN SER 67 -5.617 6.737 1.944 477 HA SER 67 HA SER 67 -3.594 7.190 -0.141 478 HB2 SER 67 HB2 SER 67 -3.185 9.403 1.172 479 HB3 SER 67 HB1 SER 67 -4.549 9.316 0.057 480 HG SER 67 HG SER 67 -5.925 9.046 1.769 481 H LEU 68 HN LEU 68 -1.552 6.736 0.398 482 HA LEU 68 HA LEU 68 -1.066 5.388 2.905 483 HB2 LEU 68 HB2 LEU 68 0.808 6.000 0.631 484 HB3 LEU 68 HB1 LEU 68 1.154 4.941 1.977 485 HG LEU 68 HG LEU 68 -0.928 4.493 -0.149 486 HD11 LEU 68 HD11 LEU 68 1.743 3.239 0.429 487 HD12 LEU 68 HD12 LEU 68 1.262 4.138 -1.015 488 HD13 LEU 68 HD13 LEU 68 0.549 2.559 -0.680 489 HD21 LEU 68 HD21 LEU 68 -1.652 3.637 2.016 490 HD22 LEU 68 HD22 LEU 68 -0.126 2.772 2.189 491 HD23 LEU 68 HD23 LEU 68 -1.256 2.321 0.912 492 H PHE 69 HN PHE 69 -1.335 8.464 2.504 493 HA PHE 69 HA PHE 69 1.078 9.172 3.978 494 HB2 PHE 69 HB2 PHE 69 0.606 10.333 1.793 495 HB3 PHE 69 HB1 PHE 69 -0.835 11.029 2.530 496 HD1 PHE 69 HD1 PHE 69 2.430 10.505 4.145 497 HD2 PHE 69 HD2 PHE 69 -0.285 13.301 2.452 498 HE1 PHE 69 HE1 PHE 69 3.795 12.357 5.028 499 HE2 PHE 69 HE2 PHE 69 1.067 15.160 3.331 500 HZ PHE 69 HZ PHE 69 3.116 14.715 4.558 501 H ILE 70 HN ILE 70 -2.194 8.509 4.322 502 HA ILE 70 HA ILE 70 -2.248 9.931 6.904 503 HB ILE 70 HB ILE 70 -4.575 9.711 4.964 504 HG12 ILE 70 HG12 ILE 70 -3.052 12.102 6.013 505 HG13 ILE 70 HG11 ILE 70 -2.992 11.476 4.372 506 HG21 ILE 70 HG21 ILE 70 -5.338 9.410 7.262 507 HG22 ILE 70 HG22 ILE 70 -5.872 10.956 6.602 508 HG23 ILE 70 HG23 ILE 70 -4.521 10.902 7.733 509 HD11 ILE 70 HD11 ILE 70 -5.419 12.659 5.708 510 HD12 ILE 70 HD12 ILE 70 -5.351 12.029 4.062 511 HD13 ILE 70 HD13 ILE 70 -4.405 13.452 4.503 512 H ASP 71 HN ASP 71 -3.361 7.171 4.993 513 HA ASP 71 HA ASP 71 -4.652 6.080 7.399 514 HB2 ASP 71 HB2 ASP 71 -5.994 6.356 5.263 515 HB3 ASP 71 HB1 ASP 71 -5.010 5.078 4.557 516 H CYS 72 HN CYS 72 -1.745 6.016 6.174 517 HA CYS 72 HA CYS 72 -1.046 3.439 7.203 518 HB2 CYS 72 HB2 CYS 72 -0.701 4.001 4.242 519 HB3 CYS 72 HB1 CYS 72 0.114 2.699 5.099 520 HG CYS 72 HG CYS 72 -3.191 2.620 5.508 521 H THR 73 HN THR 73 0.920 3.680 8.114 522 HA THR 73 HA THR 73 2.445 6.074 7.315 523 HB THR 73 HB THR 73 3.439 5.972 9.595 524 HG1 THR 73 HG1 THR 73 2.250 4.581 11.107 525 HG21 THR 73 HG21 THR 73 1.570 7.449 9.206 526 HG22 THR 73 HG22 THR 73 1.369 6.693 10.787 527 HG23 THR 73 HG23 THR 73 0.424 6.123 9.408 528 H THR 74 HN THR 74 2.916 2.691 8.417 529 HA THR 74 HA THR 74 5.587 2.791 7.217 530 HB THR 74 HB THR 74 6.054 0.674 8.332 531 HG1 THR 74 HG1 THR 74 3.847 0.550 9.923 532 HG21 THR 74 HG21 THR 74 5.903 1.420 10.679 533 HG22 THR 74 HG22 THR 74 4.791 2.701 10.191 534 HG23 THR 74 HG23 THR 74 6.454 2.708 9.611 535 H VAL 75 HN VAL 75 6.031 0.211 6.565 536 HA VAL 75 HA VAL 75 4.643 0.031 4.042 537 HB VAL 75 HB VAL 75 6.580 -2.022 5.035 538 HG11 VAL 75 HG11 VAL 75 6.018 -0.776 2.362 539 HG12 VAL 75 HG12 VAL 75 5.663 -2.424 2.883 540 HG13 VAL 75 HG13 VAL 75 7.338 -1.902 2.674 541 HG21 VAL 75 HG21 VAL 75 8.451 -0.584 4.264 542 HG22 VAL 75 HG22 VAL 75 7.637 0.026 5.704 543 HG23 VAL 75 HG23 VAL 75 7.316 0.759 4.130 544 H ARG 76 HN ARG 76 5.020 -1.967 6.950 545 HA ARG 76 HA ARG 76 3.370 -4.102 6.098 546 HB2 ARG 76 HB2 ARG 76 4.999 -3.563 8.316 547 HB3 ARG 76 HB1 ARG 76 3.365 -3.740 8.918 548 HG2 ARG 76 HG2 ARG 76 4.624 -5.767 7.119 549 HG3 ARG 76 HG1 ARG 76 4.720 -5.848 8.877 550 HD2 ARG 76 HD2 ARG 76 2.273 -5.931 9.008 551 HD3 ARG 76 HD1 ARG 76 2.174 -5.824 7.252 552 HE ARG 76 HE ARG 76 3.617 -8.006 7.444 553 HH11 ARG 76 HH11 ARG 76 0.889 -7.046 9.431 554 HH12 ARG 76 HH12 ARG 76 0.397 -8.669 9.784 555 HH21 ARG 76 HH21 ARG 76 2.942 -10.153 7.838 556 HH22 ARG 76 HH22 ARG 76 1.584 -10.452 8.890 557 H ALA 77 HN ALA 77 2.715 -0.994 7.511 558 HA ALA 77 HA ALA 77 0.121 -1.371 8.460 559 HB1 ALA 77 HB1 ALA 77 1.267 1.050 7.063 560 HB2 ALA 77 HB2 ALA 77 1.353 0.707 8.792 561 HB3 ALA 77 HB3 ALA 77 -0.206 1.025 8.034 562 H LEU 78 HN LEU 78 1.355 -1.097 5.213 563 HA LEU 78 HA LEU 78 -1.215 -0.866 3.928 564 HB2 LEU 78 HB2 LEU 78 1.406 -0.489 3.183 565 HB3 LEU 78 HB1 LEU 78 1.025 -2.005 2.405 566 HG LEU 78 HG LEU 78 -0.588 0.509 2.014 567 HD11 LEU 78 HD11 LEU 78 1.779 -0.590 0.524 568 HD12 LEU 78 HD12 LEU 78 1.564 1.021 1.206 569 HD13 LEU 78 HD13 LEU 78 0.634 0.532 -0.210 570 HD21 LEU 78 HD21 LEU 78 -1.381 -0.627 0.006 571 HD22 LEU 78 HD22 LEU 78 -1.801 -1.517 1.469 572 HD23 LEU 78 HD23 LEU 78 -0.465 -2.066 0.451 573 H LYS 79 HN LYS 79 1.179 -3.394 4.444 574 HA LYS 79 HA LYS 79 0.003 -5.483 3.010 575 HB2 LYS 79 HB2 LYS 79 1.623 -5.869 5.521 576 HB3 LYS 79 HB1 LYS 79 1.529 -6.912 4.095 577 HG2 LYS 79 HG2 LYS 79 2.684 -4.108 4.065 578 HG3 LYS 79 HG1 LYS 79 3.688 -5.535 4.316 579 HD2 LYS 79 HD2 LYS 79 3.198 -6.342 2.131 580 HD3 LYS 79 HD1 LYS 79 1.878 -5.189 1.925 581 HE2 LYS 79 HE2 LYS 79 4.735 -4.344 2.319 582 HE3 LYS 79 HE1 LYS 79 4.041 -4.638 0.719 583 HZ1 LYS 79 HZ1 LYS 79 3.935 -2.317 1.255 584 HZ2 LYS 79 HZ2 LYS 79 3.136 -2.631 2.715 585 HZ3 LYS 79 HZ3 LYS 79 2.360 -2.937 1.240 586 H ASP 80 HN ASP 80 -0.277 -4.574 6.411 587 HA ASP 80 HA ASP 80 -1.875 -6.764 7.195 588 HB2 ASP 80 HB2 ASP 80 -0.525 -5.281 8.720 589 HB3 ASP 80 HB1 ASP 80 -1.752 -4.040 8.501 590 H PHE 81 HN PHE 81 -2.598 -3.682 5.780 591 HA PHE 81 HA PHE 81 -5.395 -3.740 6.359 592 HB2 PHE 81 HB2 PHE 81 -4.153 -1.618 5.998 593 HB3 PHE 81 HB1 PHE 81 -3.908 -2.073 4.313 594 HD1 PHE 81 HD1 PHE 81 -6.573 -1.400 6.826 595 HD2 PHE 81 HD2 PHE 81 -5.480 -1.522 2.710 596 HE1 PHE 81 HE1 PHE 81 -8.706 -0.333 6.224 597 HE2 PHE 81 HE2 PHE 81 -7.611 -0.461 2.105 598 HZ PHE 81 HZ PHE 81 -9.271 0.067 3.894 599 H MET 82 HN MET 82 -3.348 -4.682 3.671 600 HA MET 82 HA MET 82 -5.313 -4.980 1.689 601 HB2 MET 82 HB2 MET 82 -2.815 -6.621 1.965 602 HB3 MET 82 HB1 MET 82 -3.726 -6.328 0.489 603 HG2 MET 82 HG2 MET 82 -3.195 -3.912 0.699 604 HG3 MET 82 HG1 MET 82 -2.184 -4.303 2.090 605 HE1 MET 82 HE1 MET 82 -1.299 -5.001 -2.325 606 HE2 MET 82 HE2 MET 82 -2.121 -3.602 -1.628 607 HE3 MET 82 HE3 MET 82 -2.897 -5.187 -1.598 608 H LEU 83 HN LEU 83 -3.888 -7.448 3.816 609 HA LEU 83 HA LEU 83 -5.824 -9.405 3.002 610 HB2 LEU 83 HB2 LEU 83 -3.787 -9.419 5.244 611 HB3 LEU 83 HB1 LEU 83 -4.808 -10.784 4.854 612 HG LEU 83 HG LEU 83 -3.723 -10.775 2.549 613 HD11 LEU 83 HD11 LEU 83 -2.825 -8.530 2.568 614 HD12 LEU 83 HD12 LEU 83 -1.529 -9.711 2.373 615 HD13 LEU 83 HD13 LEU 83 -1.787 -8.934 3.936 616 HD21 LEU 83 HD21 LEU 83 -1.942 -11.294 4.936 617 HD22 LEU 83 HD22 LEU 83 -1.720 -11.952 3.315 618 HD23 LEU 83 HD23 LEU 83 -3.128 -12.419 4.270 619 H GLY 84 HN GLY 84 -5.319 -7.340 5.805 620 HA2 GLY 84 HA2 GLY 84 -7.424 -6.478 6.811 621 HA3 GLY 84 HA1 GLY 84 -7.993 -8.144 6.773 622 H SER 85 HN SER 85 -7.454 -6.159 8.998 623 HA SER 85 HA SER 85 -5.262 -7.316 10.482 624 HB2 SER 85 HB2 SER 85 -7.324 -5.343 11.479 625 HB3 SER 85 HB1 SER 85 -5.687 -5.592 12.082 626 HG SER 85 HG SER 85 -4.875 -4.731 10.163 627 H GLY 86 HN GLY 86 -7.360 -9.169 9.848 628 HA2 GLY 86 HA2 GLY 86 -8.774 -10.709 10.820 629 HA3 GLY 86 HA1 GLY 86 -8.025 -10.284 12.358 630 H ASP 87 HN ASP 87 -9.977 -8.480 10.024 631 HA ASP 87 HA ASP 87 -11.985 -7.880 12.044 632 HB2 ASP 87 HB2 ASP 87 -10.455 -6.143 12.556 633 HB3 ASP 87 HB1 ASP 87 -10.081 -5.859 10.862 634 H ALA 88 HN ALA 88 -13.859 -6.844 11.144 635 HA ALA 88 HA ALA 88 -15.409 -6.284 9.624 636 HB1 ALA 88 HB1 ALA 88 -14.850 -5.756 7.342 637 HB2 ALA 88 HB2 ALA 88 -13.264 -6.507 7.525 638 HB3 ALA 88 HB3 ALA 88 -13.658 -5.047 8.432 639 H GLY 89 HN GLY 89 -16.884 -7.292 8.348 640 HA2 GLY 89 HA2 GLY 89 -16.766 -9.428 6.721 641 HA3 GLY 89 HA1 GLY 89 -16.669 -10.173 8.312 642 H282 PNS 90 H28A PNS 44 -1.862 15.797 -3.432 643 H281 PNS 90 H28B PNS 44 -1.883 14.033 -3.470 644 H303 PNS 90 H30A PNS 44 -2.468 13.152 -5.459 645 H302 PNS 90 H30B PNS 44 -1.628 14.617 -5.966 646 H301 PNS 90 H30C PNS 44 -3.158 14.175 -6.722 647 H313 PNS 90 H31A PNS 44 -5.232 14.898 -3.740 648 H312 PNS 90 H31B PNS 44 -4.609 13.316 -4.209 649 H311 PNS 90 H31C PNS 44 -5.295 14.391 -5.428 650 H32 PNS 90 H32A PNS 44 -2.560 16.908 -5.252 651 H33 PNS 90 H33A PNS 44 -3.828 17.301 -6.984 652 H36 PNS 90 H36A PNS 44 -5.436 17.886 -5.928 653 H372 PNS 90 H37A PNS 44 -6.924 18.210 -3.571 654 H371 PNS 90 H37B PNS 44 -5.834 19.581 -3.753 655 H382 PNS 90 H38A PNS 44 -7.933 18.680 -5.714 656 H381 PNS 90 H38B PNS 44 -7.994 20.109 -4.689 657 H41 PNS 90 H41A PNS 44 -8.363 21.307 -6.573 658 H422 PNS 90 H42A PNS 44 -6.695 23.027 -7.555 659 H421 PNS 90 H42B PNS 44 -6.170 21.625 -8.489 660 H431 PNS 90 H43A PNS 44 -8.373 21.396 -9.450 661 H432 PNS 90 H43B PNS 44 -7.761 23.028 -9.724 662 H44 PNS 90 H1 PNS 44 -10.516 23.141 -9.224 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -16.078 3.414 6.917 2 H2 ALA 1 HT2 ALA 1 -14.582 3.535 7.699 3 H3 ALA 1 HT3 ALA 1 -15.420 4.943 7.247 4 HA ALA 1 HA ALA 1 -15.649 4.610 9.588 5 HB1 ALA 1 HB1 ALA 1 -18.074 4.601 9.757 6 HB2 ALA 1 HB2 ALA 1 -18.204 3.912 8.139 7 HB3 ALA 1 HB3 ALA 1 -17.561 5.541 8.354 8 H MET 2 HN MET 2 -17.035 1.859 7.788 9 HA MET 2 HA MET 2 -16.145 0.135 9.995 10 HB2 MET 2 HB2 MET 2 -18.084 -1.322 9.655 11 HB3 MET 2 HB1 MET 2 -18.588 0.300 10.107 12 HG2 MET 2 HG2 MET 2 -18.498 -0.586 7.242 13 HG3 MET 2 HG1 MET 2 -19.892 -0.901 8.274 14 HE1 MET 2 HE1 MET 2 -21.371 0.990 9.380 15 HE2 MET 2 HE2 MET 2 -21.069 2.719 9.188 16 HE3 MET 2 HE3 MET 2 -19.939 1.722 10.103 17 H ALA 3 HN ALA 3 -15.902 -2.143 9.289 18 HA ALA 3 HA ALA 3 -15.000 -3.750 7.981 19 HB1 ALA 3 HB1 ALA 3 -16.634 -3.224 6.245 20 HB2 ALA 3 HB2 ALA 3 -15.069 -3.634 5.545 21 HB3 ALA 3 HB3 ALA 3 -15.580 -1.949 5.626 22 H LYS 4 HN LYS 4 -12.939 -4.276 7.657 23 HA LYS 4 HA LYS 4 -10.993 -2.299 6.831 24 HB2 LYS 4 HB2 LYS 4 -11.337 -1.888 9.271 25 HB3 LYS 4 HB1 LYS 4 -10.818 -3.538 9.580 26 HG2 LYS 4 HG2 LYS 4 -8.621 -3.051 8.689 27 HG3 LYS 4 HG1 LYS 4 -9.134 -1.413 8.269 28 HD2 LYS 4 HD2 LYS 4 -9.565 -0.963 10.653 29 HD3 LYS 4 HD1 LYS 4 -8.981 -2.581 11.047 30 HE2 LYS 4 HE2 LYS 4 -6.789 -2.036 10.167 31 HE3 LYS 4 HE1 LYS 4 -7.361 -0.443 9.667 32 HZ1 LYS 4 HZ1 LYS 4 -7.155 -1.443 12.459 33 HZ2 LYS 4 HZ2 LYS 4 -7.789 0.066 12.012 34 HZ3 LYS 4 HZ3 LYS 4 -6.156 -0.285 11.729 35 H GLY 5 HN GLY 5 -10.322 -3.586 5.212 36 HA2 GLY 5 HA2 GLY 5 -8.416 -5.233 4.971 37 HA3 GLY 5 HA1 GLY 5 -9.446 -6.314 5.905 38 H VAL 6 HN VAL 6 -8.375 -5.967 2.961 39 HA VAL 6 HA VAL 6 -10.897 -6.162 1.528 40 HB VAL 6 HB VAL 6 -8.082 -6.212 0.459 41 HG11 VAL 6 HG11 VAL 6 -9.160 -5.737 -1.718 42 HG12 VAL 6 HG12 VAL 6 -10.733 -5.984 -0.957 43 HG13 VAL 6 HG13 VAL 6 -9.586 -7.318 -1.066 44 HG21 VAL 6 HG21 VAL 6 -8.582 -4.078 1.493 45 HG22 VAL 6 HG22 VAL 6 -10.084 -3.968 0.577 46 HG23 VAL 6 HG23 VAL 6 -8.534 -3.904 -0.262 47 H GLY 7 HN GLY 7 -8.016 -8.077 2.193 48 HA2 GLY 7 HA2 GLY 7 -7.955 -10.426 2.432 49 HA3 GLY 7 HA1 GLY 7 -9.525 -10.524 1.641 50 H VAL 8 HN VAL 8 -6.084 -10.148 1.148 51 HA VAL 8 HA VAL 8 -6.505 -10.469 -1.744 52 HB VAL 8 HB VAL 8 -4.591 -9.178 -2.222 53 HG11 VAL 8 HG11 VAL 8 -4.953 -7.041 -1.152 54 HG12 VAL 8 HG12 VAL 8 -5.871 -7.817 0.136 55 HG13 VAL 8 HG13 VAL 8 -6.494 -7.820 -1.514 56 HG21 VAL 8 HG21 VAL 8 -3.054 -8.340 -0.411 57 HG22 VAL 8 HG22 VAL 8 -2.969 -10.066 -0.752 58 HG23 VAL 8 HG23 VAL 8 -3.839 -9.488 0.674 59 H SER 9 HN SER 9 -4.979 -11.773 -2.883 60 HA SER 9 HA SER 9 -4.100 -14.089 -1.492 61 HB2 SER 9 HB2 SER 9 -3.015 -14.607 -3.736 62 HB3 SER 9 HB1 SER 9 -4.759 -14.346 -3.774 63 HG SER 9 HG SER 9 -3.676 -13.213 -5.448 64 H ASN 10 HN ASN 10 -1.875 -14.844 -1.325 65 HA ASN 10 HA ASN 10 -0.024 -12.883 -0.427 66 HB2 ASN 10 HB2 ASN 10 -0.122 -15.416 0.129 67 HB3 ASN 10 HB1 ASN 10 0.744 -15.650 -1.381 68 HD21 ASN 10 HD21 ASN 10 2.363 -13.217 -1.080 69 HD22 ASN 10 HD22 ASN 10 3.521 -13.574 0.157 70 H GLU 11 HN GLU 11 -0.741 -14.361 -3.446 71 HA GLU 11 HA GLU 11 1.409 -13.527 -5.029 72 HB2 GLU 11 HB2 GLU 11 -0.164 -15.046 -5.944 73 HB3 GLU 11 HB1 GLU 11 -1.524 -14.012 -5.540 74 HG2 GLU 11 HG2 GLU 11 -0.479 -12.366 -7.225 75 HG3 GLU 11 HG1 GLU 11 0.447 -13.769 -7.773 76 H LYS 12 HN LYS 12 -1.561 -11.869 -4.057 77 HA LYS 12 HA LYS 12 -1.033 -9.527 -5.595 78 HB2 LYS 12 HB2 LYS 12 -3.302 -10.342 -4.674 79 HB3 LYS 12 HB1 LYS 12 -2.797 -9.613 -3.155 80 HG2 LYS 12 HG2 LYS 12 -4.096 -7.962 -4.155 81 HG3 LYS 12 HG1 LYS 12 -2.440 -7.472 -4.512 82 HD2 LYS 12 HD2 LYS 12 -3.627 -7.169 -6.520 83 HD3 LYS 12 HD1 LYS 12 -2.716 -8.666 -6.736 84 HE2 LYS 12 HE2 LYS 12 -5.569 -8.692 -5.778 85 HE3 LYS 12 HE1 LYS 12 -5.183 -8.609 -7.498 86 HZ1 LYS 12 HZ1 LYS 12 -5.558 -10.893 -6.721 87 HZ2 LYS 12 HZ2 LYS 12 -4.248 -10.751 -5.656 88 HZ3 LYS 12 HZ3 LYS 12 -3.986 -10.679 -7.329 89 H LEU 13 HN LEU 13 -0.182 -10.641 -2.433 90 HA LEU 13 HA LEU 13 0.810 -8.175 -1.404 91 HB2 LEU 13 HB2 LEU 13 0.338 -10.601 -0.328 92 HB3 LEU 13 HB1 LEU 13 2.073 -10.772 -0.600 93 HG LEU 13 HG LEU 13 1.902 -10.024 1.651 94 HD11 LEU 13 HD11 LEU 13 2.797 -7.764 1.703 95 HD12 LEU 13 HD12 LEU 13 2.381 -7.555 0.001 96 HD13 LEU 13 HD13 LEU 13 3.581 -8.758 0.476 97 HD21 LEU 13 HD21 LEU 13 -0.056 -7.921 0.725 98 HD22 LEU 13 HD22 LEU 13 0.483 -8.205 2.381 99 HD23 LEU 13 HD23 LEU 13 -0.477 -9.424 1.546 100 H ASP 14 HN ASP 14 2.114 -10.598 -3.617 101 HA ASP 14 HA ASP 14 4.801 -9.595 -3.463 102 HB2 ASP 14 HB2 ASP 14 3.593 -11.904 -4.445 103 HB3 ASP 14 HB1 ASP 14 4.157 -11.082 -5.887 104 H ALA 15 HN ALA 15 1.943 -8.877 -5.202 105 HA ALA 15 HA ALA 15 3.294 -7.496 -7.366 106 HB1 ALA 15 HB1 ALA 15 1.084 -7.157 -8.290 107 HB2 ALA 15 HB2 ALA 15 0.348 -7.693 -6.781 108 HB3 ALA 15 HB3 ALA 15 1.252 -8.837 -7.768 109 H VAL 16 HN VAL 16 2.001 -6.716 -4.275 110 HA VAL 16 HA VAL 16 1.513 -3.950 -4.923 111 HB VAL 16 HB VAL 16 0.096 -4.845 -3.233 112 HG11 VAL 16 HG11 VAL 16 2.569 -5.480 -1.615 113 HG12 VAL 16 HG12 VAL 16 1.566 -6.662 -2.459 114 HG13 VAL 16 HG13 VAL 16 0.895 -5.734 -1.116 115 HG21 VAL 16 HG21 VAL 16 0.535 -3.311 -1.350 116 HG22 VAL 16 HG22 VAL 16 0.703 -2.523 -2.919 117 HG23 VAL 16 HG23 VAL 16 2.141 -2.991 -2.010 118 H MET 17 HN MET 17 4.024 -5.760 -3.228 119 HA MET 17 HA MET 17 5.329 -3.539 -2.124 120 HB2 MET 17 HB2 MET 17 6.554 -6.207 -2.862 121 HB3 MET 17 HB1 MET 17 7.206 -5.040 -1.732 122 HG2 MET 17 HG2 MET 17 5.082 -5.324 -0.396 123 HG3 MET 17 HG1 MET 17 4.735 -6.694 -1.440 124 HE1 MET 17 HE1 MET 17 7.678 -9.137 -0.626 125 HE2 MET 17 HE2 MET 17 7.604 -7.952 -1.932 126 HE3 MET 17 HE3 MET 17 6.181 -8.911 -1.530 127 H ARG 18 HN ARG 18 5.562 -4.989 -5.305 128 HA ARG 18 HA ARG 18 7.926 -3.643 -6.109 129 HB2 ARG 18 HB2 ARG 18 7.118 -4.155 -8.435 130 HB3 ARG 18 HB1 ARG 18 7.317 -5.541 -7.373 131 HG2 ARG 18 HG2 ARG 18 5.006 -5.779 -7.065 132 HG3 ARG 18 HG1 ARG 18 4.666 -4.190 -7.750 133 HD2 ARG 18 HD2 ARG 18 5.868 -6.463 -9.304 134 HD3 ARG 18 HD1 ARG 18 4.136 -6.155 -9.224 135 HE ARG 18 HE ARG 18 6.090 -4.241 -10.336 136 HH11 ARG 18 HH11 ARG 18 2.893 -5.670 -10.280 137 HH12 ARG 18 HH12 ARG 18 2.345 -4.844 -11.709 138 HH21 ARG 18 HH21 ARG 18 5.399 -3.162 -12.225 139 HH22 ARG 18 HH22 ARG 18 3.794 -3.440 -12.832 140 H VAL 19 HN VAL 19 4.530 -2.758 -6.098 141 HA VAL 19 HA VAL 19 4.903 -0.448 -7.772 142 HB VAL 19 HB VAL 19 2.605 -1.343 -6.010 143 HG11 VAL 19 HG11 VAL 19 1.257 0.407 -7.062 144 HG12 VAL 19 HG12 VAL 19 2.681 1.006 -7.902 145 HG13 VAL 19 HG13 VAL 19 2.592 1.097 -6.143 146 HG21 VAL 19 HG21 VAL 19 2.971 -2.728 -7.983 147 HG22 VAL 19 HG22 VAL 19 2.950 -1.297 -9.012 148 HG23 VAL 19 HG23 VAL 19 1.492 -1.792 -8.162 149 H VAL 20 HN VAL 20 4.716 -1.186 -4.376 150 HA VAL 20 HA VAL 20 4.850 1.440 -3.360 151 HB VAL 20 HB VAL 20 5.435 -1.294 -2.239 152 HG11 VAL 20 HG11 VAL 20 7.162 0.146 -1.274 153 HG12 VAL 20 HG12 VAL 20 5.956 -0.289 -0.060 154 HG13 VAL 20 HG13 VAL 20 5.930 1.314 -0.795 155 HG21 VAL 20 HG21 VAL 20 3.119 -0.580 -2.360 156 HG22 VAL 20 HG22 VAL 20 3.508 0.915 -1.508 157 HG23 VAL 20 HG23 VAL 20 3.638 -0.637 -0.676 158 H SER 21 HN SER 21 7.310 -0.841 -4.403 159 HA SER 21 HA SER 21 9.475 0.627 -3.192 160 HB2 SER 21 HB2 SER 21 9.120 -1.963 -4.074 161 HB3 SER 21 HB1 SER 21 10.215 -1.283 -5.277 162 HG SER 21 HG SER 21 11.669 -0.815 -3.710 163 H GLU 22 HN GLU 22 7.759 0.607 -6.144 164 HA GLU 22 HA GLU 22 9.766 1.755 -7.781 165 HB2 GLU 22 HB2 GLU 22 8.295 0.346 -8.869 166 HB3 GLU 22 HB1 GLU 22 6.914 0.929 -7.962 167 HG2 GLU 22 HG2 GLU 22 6.699 2.817 -9.285 168 HG3 GLU 22 HG1 GLU 22 8.311 2.610 -9.970 169 H GLU 23 HN GLU 23 6.818 2.897 -6.164 170 HA GLU 23 HA GLU 23 7.126 5.592 -7.034 171 HB2 GLU 23 HB2 GLU 23 5.460 4.354 -4.837 172 HB3 GLU 23 HB1 GLU 23 5.365 6.052 -5.286 173 HG2 GLU 23 HG2 GLU 23 4.949 3.831 -7.246 174 HG3 GLU 23 HG1 GLU 23 3.637 4.481 -6.265 175 H SER 24 HN SER 24 8.051 3.813 -4.114 176 HA SER 24 HA SER 24 8.935 6.111 -2.664 177 HB2 SER 24 HB2 SER 24 10.063 4.441 -1.208 178 HB3 SER 24 HB1 SER 24 8.357 4.090 -1.458 179 HG SER 24 HG SER 24 8.854 2.340 -2.536 180 H GLY 25 HN GLY 25 10.556 3.655 -4.642 181 HA2 GLY 25 HA2 GLY 25 12.390 4.322 -6.097 182 HA3 GLY 25 HA1 GLY 25 12.846 5.513 -4.886 183 H ILE 26 HN ILE 26 11.939 2.712 -3.348 184 HA ILE 26 HA ILE 26 14.721 2.049 -2.765 185 HB ILE 26 HB ILE 26 12.426 0.599 -1.519 186 HG12 ILE 26 HG12 ILE 26 13.353 3.273 -0.462 187 HG13 ILE 26 HG11 ILE 26 11.970 3.132 -1.550 188 HG21 ILE 26 HG21 ILE 26 13.910 0.642 0.446 189 HG22 ILE 26 HG22 ILE 26 15.086 1.569 -0.488 190 HG23 ILE 26 HG23 ILE 26 14.686 -0.080 -0.967 191 HD11 ILE 26 HD11 ILE 26 10.853 1.680 0.076 192 HD12 ILE 26 HD12 ILE 26 11.271 3.242 0.780 193 HD13 ILE 26 HD13 ILE 26 12.245 1.819 1.151 194 H ALA 27 HN ALA 27 15.428 -0.148 -2.764 195 HA ALA 27 HA ALA 27 14.562 -1.675 -5.023 196 HB1 ALA 27 HB1 ALA 27 16.266 -3.296 -4.298 197 HB2 ALA 27 HB2 ALA 27 16.489 -2.381 -2.805 198 HB3 ALA 27 HB3 ALA 27 16.908 -1.653 -4.356 199 H LEU 28 HN LEU 28 13.396 -3.529 -5.080 200 HA LEU 28 HA LEU 28 11.359 -3.915 -3.206 201 HB2 LEU 28 HB2 LEU 28 10.984 -4.634 -5.412 202 HB3 LEU 28 HB1 LEU 28 12.463 -5.569 -5.458 203 HG LEU 28 HG LEU 28 11.440 -7.200 -3.887 204 HD11 LEU 28 HD11 LEU 28 9.810 -5.759 -2.800 205 HD12 LEU 28 HD12 LEU 28 9.019 -7.151 -3.536 206 HD13 LEU 28 HD13 LEU 28 8.938 -5.576 -4.319 207 HD21 LEU 28 HD21 LEU 28 9.882 -6.694 -6.417 208 HD22 LEU 28 HD22 LEU 28 9.987 -8.226 -5.549 209 HD23 LEU 28 HD23 LEU 28 11.423 -7.540 -6.306 210 H GLU 29 HN GLU 29 14.527 -5.416 -3.507 211 HA GLU 29 HA GLU 29 13.989 -7.549 -1.681 212 HB2 GLU 29 HB2 GLU 29 16.693 -6.483 -2.459 213 HB3 GLU 29 HB1 GLU 29 16.291 -8.094 -1.874 214 HG2 GLU 29 HG2 GLU 29 15.319 -6.942 -4.470 215 HG3 GLU 29 HG1 GLU 29 16.710 -8.015 -4.311 216 H GLU 30 HN GLU 30 14.557 -4.271 -1.309 217 HA GLU 30 HA GLU 30 15.777 -4.604 1.345 218 HB2 GLU 30 HB2 GLU 30 15.566 -2.105 -0.337 219 HB3 GLU 30 HB1 GLU 30 16.370 -2.248 1.220 220 HG2 GLU 30 HG2 GLU 30 17.206 -3.692 -1.286 221 HG3 GLU 30 HG1 GLU 30 17.927 -2.215 -0.659 222 H LEU 31 HN LEU 31 12.853 -4.152 -0.106 223 HA LEU 31 HA LEU 31 11.695 -2.249 1.671 224 HB2 LEU 31 HB2 LEU 31 10.754 -2.748 -0.564 225 HB3 LEU 31 HB1 LEU 31 10.334 -4.364 -0.020 226 HG LEU 31 HG LEU 31 8.854 -3.325 1.706 227 HD11 LEU 31 HD11 LEU 31 8.220 -0.966 1.374 228 HD12 LEU 31 HD12 LEU 31 9.521 -0.812 0.191 229 HD13 LEU 31 HD13 LEU 31 9.901 -1.163 1.876 230 HD21 LEU 31 HD21 LEU 31 8.280 -2.648 -1.171 231 HD22 LEU 31 HD22 LEU 31 7.084 -2.721 0.122 232 HD23 LEU 31 HD23 LEU 31 7.942 -4.182 -0.369 233 H THR 32 HN THR 32 11.897 -2.751 3.777 234 HA THR 32 HA THR 32 10.862 -5.369 4.644 235 HB THR 32 HB THR 32 12.351 -5.189 6.613 236 HG1 THR 32 HG1 THR 32 14.078 -3.365 6.031 237 HG21 THR 32 HG21 THR 32 13.767 -4.856 3.956 238 HG22 THR 32 HG22 THR 32 13.282 -6.377 4.712 239 HG23 THR 32 HG23 THR 32 14.549 -5.394 5.441 240 H ASP 33 HN ASP 33 9.770 -5.371 6.725 241 HA ASP 33 HA ASP 33 7.739 -3.490 7.014 242 HB2 ASP 33 HB2 ASP 33 7.454 -5.612 7.988 243 HB3 ASP 33 HB1 ASP 33 8.979 -5.526 8.857 244 H ASP 34 HN ASP 34 10.974 -3.301 8.130 245 HA ASP 34 HA ASP 34 10.626 -1.481 10.271 246 HB2 ASP 34 HB2 ASP 34 12.640 -2.850 10.058 247 HB3 ASP 34 HB1 ASP 34 13.051 -2.033 8.548 248 H SER 35 HN SER 35 10.506 -1.101 6.880 249 HA SER 35 HA SER 35 11.525 1.581 6.718 250 HB2 SER 35 HB2 SER 35 9.704 0.141 4.764 251 HB3 SER 35 HB1 SER 35 10.750 1.520 4.422 252 HG SER 35 HG SER 35 11.983 -0.719 5.504 253 H ASN 36 HN ASN 36 10.343 3.482 6.309 254 HA ASN 36 HA ASN 36 7.520 3.408 7.161 255 HB2 ASN 36 HB2 ASN 36 8.892 4.110 9.088 256 HB3 ASN 36 HB1 ASN 36 9.625 5.380 8.116 257 HD21 ASN 36 HD21 ASN 36 6.245 4.575 7.850 258 HD22 ASN 36 HD22 ASN 36 5.651 6.008 8.618 259 H PHE 37 HN PHE 37 6.277 4.306 5.639 260 HA PHE 37 HA PHE 37 7.182 5.400 3.275 261 HB2 PHE 37 HB2 PHE 37 4.562 5.619 4.725 262 HB3 PHE 37 HB1 PHE 37 4.825 6.485 3.211 263 HD1 PHE 37 HD1 PHE 37 5.931 4.943 1.298 264 HD2 PHE 37 HD2 PHE 37 3.611 3.569 4.582 265 HE1 PHE 37 HE1 PHE 37 5.365 2.897 0.045 266 HE2 PHE 37 HE2 PHE 37 3.045 1.535 3.350 267 HZ PHE 37 HZ PHE 37 4.051 1.208 0.991 268 H ALA 38 HN ALA 38 6.144 7.090 6.211 269 HA ALA 38 HA ALA 38 6.479 9.690 5.098 270 HB1 ALA 38 HB1 ALA 38 6.293 8.867 7.986 271 HB2 ALA 38 HB2 ALA 38 4.917 9.159 6.920 272 HB3 ALA 38 HB3 ALA 38 6.017 10.480 7.328 273 H ASP 39 HN ASP 39 8.560 7.491 6.846 274 HA ASP 39 HA ASP 39 10.601 9.416 7.447 275 HB2 ASP 39 HB2 ASP 39 10.460 7.427 8.818 276 HB3 ASP 39 HB1 ASP 39 10.589 6.389 7.406 277 H MET 40 HN MET 40 9.851 7.275 4.816 278 HA MET 40 HA MET 40 12.377 7.587 3.486 279 HB2 MET 40 HB2 MET 40 9.789 6.272 2.849 280 HB3 MET 40 HB1 MET 40 10.774 6.767 1.480 281 HG2 MET 40 HG2 MET 40 11.205 4.460 2.065 282 HG3 MET 40 HG1 MET 40 12.642 5.442 2.325 283 HE1 MET 40 HE1 MET 40 12.648 2.618 3.513 284 HE2 MET 40 HE2 MET 40 13.167 2.908 5.172 285 HE3 MET 40 HE3 MET 40 13.904 3.810 3.845 286 H GLY 41 HN GLY 41 9.465 9.383 3.680 287 HA2 GLY 41 HA2 GLY 41 9.410 11.693 2.996 288 HA3 GLY 41 HA1 GLY 41 10.595 11.311 1.752 289 H ILE 42 HN ILE 42 7.850 9.233 2.276 290 HA ILE 42 HA ILE 42 6.923 9.559 -0.395 291 HB ILE 42 HB ILE 42 5.661 8.236 2.016 292 HG12 ILE 42 HG12 ILE 42 7.730 7.259 1.068 293 HG13 ILE 42 HG11 ILE 42 6.340 6.181 0.954 294 HG21 ILE 42 HG21 ILE 42 4.659 8.367 -0.818 295 HG22 ILE 42 HG22 ILE 42 3.825 8.876 0.656 296 HG23 ILE 42 HG23 ILE 42 4.122 7.163 0.354 297 HD11 ILE 42 HD11 ILE 42 6.081 6.828 -1.408 298 HD12 ILE 42 HD12 ILE 42 7.646 6.092 -1.071 299 HD13 ILE 42 HD13 ILE 42 7.518 7.840 -1.268 300 H ASP 43 HN ASP 43 6.078 11.373 -1.076 301 HA ASP 43 HA ASP 43 4.777 13.213 0.738 302 HB2 ASP 43 HB2 ASP 43 5.998 13.348 -1.890 303 HB3 ASP 43 HB1 ASP 43 4.401 14.095 -1.914 304 H SER 44 HN SER 44 2.779 14.313 -0.086 305 HA SER 44 HA SER 44 0.608 12.592 0.076 306 HB2 SER 44 HB2 SER 44 0.490 14.903 0.739 307 HB3 SER 44 HB1 SER 44 0.815 15.439 -0.908 308 H LEU 45 HN LEU 45 2.291 13.882 -2.698 309 HA LEU 45 HA LEU 45 0.422 13.222 -4.697 310 HB2 LEU 45 HB2 LEU 45 2.435 14.762 -4.886 311 HB3 LEU 45 HB1 LEU 45 3.441 13.326 -4.957 312 HG LEU 45 HG LEU 45 2.918 14.483 -7.151 313 HD11 LEU 45 HD11 LEU 45 2.682 12.393 -8.389 314 HD12 LEU 45 HD12 LEU 45 2.206 11.562 -6.907 315 HD13 LEU 45 HD13 LEU 45 3.834 12.226 -7.062 316 HD21 LEU 45 HD21 LEU 45 0.763 13.899 -8.201 317 HD22 LEU 45 HD22 LEU 45 0.566 14.938 -6.793 318 HD23 LEU 45 HD23 LEU 45 0.222 13.213 -6.670 319 H SER 46 HN SER 46 3.360 11.513 -3.617 320 HA SER 46 HA SER 46 3.075 9.342 -5.384 321 HB2 SER 46 HB2 SER 46 4.542 9.247 -2.750 322 HB3 SER 46 HB1 SER 46 4.926 8.395 -4.248 323 HG SER 46 HG SER 46 5.713 10.223 -5.121 324 H SER 47 HN SER 47 2.057 9.816 -2.045 325 HA SER 47 HA SER 47 1.453 7.131 -1.471 326 HB2 SER 47 HB2 SER 47 0.086 8.111 0.375 327 HB3 SER 47 HB1 SER 47 1.724 8.765 0.289 328 HG SER 47 HG SER 47 -0.725 9.988 -0.241 329 H MET 48 HN MET 48 -0.376 9.646 -3.088 330 HA MET 48 HA MET 48 -2.847 8.160 -3.051 331 HB2 MET 48 HB2 MET 48 -2.651 10.693 -3.288 332 HB3 MET 48 HB1 MET 48 -2.075 10.411 -4.916 333 HG2 MET 48 HG2 MET 48 -4.292 9.037 -5.135 334 HG3 MET 48 HG1 MET 48 -4.815 10.074 -3.810 335 HE1 MET 48 HE1 MET 48 -6.780 10.880 -5.295 336 HE2 MET 48 HE2 MET 48 -6.254 9.961 -6.708 337 HE3 MET 48 HE3 MET 48 -6.608 11.683 -6.855 338 H VAL 49 HN VAL 49 -0.148 8.645 -5.175 339 HA VAL 49 HA VAL 49 -1.349 7.528 -7.490 340 HB VAL 49 HB VAL 49 1.560 8.064 -6.801 341 HG11 VAL 49 HG11 VAL 49 2.099 7.691 -9.119 342 HG12 VAL 49 HG12 VAL 49 0.411 7.345 -9.500 343 HG13 VAL 49 HG13 VAL 49 1.326 6.247 -8.469 344 HG21 VAL 49 HG21 VAL 49 -0.381 9.544 -8.597 345 HG22 VAL 49 HG22 VAL 49 1.321 9.943 -8.378 346 HG23 VAL 49 HG23 VAL 49 0.204 10.091 -7.025 347 H ILE 50 HN ILE 50 0.842 6.232 -4.991 348 HA ILE 50 HA ILE 50 1.225 3.679 -5.921 349 HB ILE 50 HB ILE 50 0.654 4.479 -3.066 350 HG12 ILE 50 HG12 ILE 50 3.281 4.166 -4.532 351 HG13 ILE 50 HG11 ILE 50 2.529 5.701 -4.115 352 HG21 ILE 50 HG21 ILE 50 2.033 2.025 -4.155 353 HG22 ILE 50 HG22 ILE 50 0.441 2.069 -3.397 354 HG23 ILE 50 HG23 ILE 50 1.879 2.455 -2.452 355 HD11 ILE 50 HD11 ILE 50 3.451 3.631 -2.133 356 HD12 ILE 50 HD12 ILE 50 2.791 5.225 -1.762 357 HD13 ILE 50 HD13 ILE 50 4.342 5.082 -2.590 358 H GLY 51 HN GLY 51 -1.483 4.782 -3.870 359 HA2 GLY 51 HA2 GLY 51 -2.933 2.365 -3.953 360 HA3 GLY 51 HA1 GLY 51 -3.600 3.945 -3.563 361 H SER 52 HN SER 52 -2.715 5.024 -6.187 362 HA SER 52 HA SER 52 -4.996 4.397 -7.709 363 HB2 SER 52 HB2 SER 52 -2.531 6.026 -8.060 364 HB3 SER 52 HB1 SER 52 -3.593 5.818 -9.430 365 HG SER 52 HG SER 52 -4.183 6.959 -6.897 366 H ARG 53 HN ARG 53 -1.556 3.542 -7.933 367 HA ARG 53 HA ARG 53 -1.728 2.160 -10.390 368 HB2 ARG 53 HB2 ARG 53 0.240 1.533 -8.195 369 HB3 ARG 53 HB1 ARG 53 0.437 1.279 -9.922 370 HG2 ARG 53 HG2 ARG 53 0.095 3.923 -9.931 371 HG3 ARG 53 HG1 ARG 53 0.761 3.733 -8.311 372 HD2 ARG 53 HD2 ARG 53 2.691 3.981 -9.515 373 HD3 ARG 53 HD1 ARG 53 2.501 2.228 -9.560 374 HE ARG 53 HE ARG 53 1.528 3.917 -11.770 375 HH11 ARG 53 HH11 ARG 53 3.444 1.238 -10.577 376 HH12 ARG 53 HH12 ARG 53 3.932 0.710 -12.155 377 HH21 ARG 53 HH21 ARG 53 2.166 3.225 -13.852 378 HH22 ARG 53 HH22 ARG 53 3.199 1.839 -14.019 379 H PHE 54 HN PHE 54 -2.455 1.259 -7.102 380 HA PHE 54 HA PHE 54 -2.607 -1.527 -7.316 381 HB2 PHE 54 HB2 PHE 54 -4.343 0.438 -5.787 382 HB3 PHE 54 HB1 PHE 54 -4.509 -1.302 -5.644 383 HD1 PHE 54 HD1 PHE 54 -1.206 -1.112 -6.112 384 HD2 PHE 54 HD2 PHE 54 -4.086 0.104 -3.235 385 HE1 PHE 54 HE1 PHE 54 0.531 -1.129 -4.373 386 HE2 PHE 54 HE2 PHE 54 -2.353 0.092 -1.491 387 HZ PHE 54 HZ PHE 54 -0.091 -0.529 -2.014 388 H ARG 55 HN ARG 55 -4.881 0.998 -8.217 389 HA ARG 55 HA ARG 55 -6.924 -0.855 -9.038 390 HB2 ARG 55 HB2 ARG 55 -6.803 2.098 -9.641 391 HB3 ARG 55 HB1 ARG 55 -8.230 1.074 -9.527 392 HG2 ARG 55 HG2 ARG 55 -7.801 0.808 -7.110 393 HG3 ARG 55 HG1 ARG 55 -6.431 1.911 -7.261 394 HD2 ARG 55 HD2 ARG 55 -8.250 3.205 -6.472 395 HD3 ARG 55 HD1 ARG 55 -8.050 3.610 -8.177 396 HE ARG 55 HE ARG 55 -9.960 1.514 -7.752 397 HH11 ARG 55 HH11 ARG 55 -9.516 4.986 -7.796 398 HH12 ARG 55 HH12 ARG 55 -11.203 5.325 -8.060 399 HH21 ARG 55 HH21 ARG 55 -12.181 1.956 -8.060 400 HH22 ARG 55 HH22 ARG 55 -12.704 3.615 -8.194 401 H GLU 56 HN GLU 56 -4.291 0.841 -10.497 402 HA GLU 56 HA GLU 56 -5.253 0.700 -13.198 403 HB2 GLU 56 HB2 GLU 56 -2.550 1.338 -12.023 404 HB3 GLU 56 HB1 GLU 56 -2.891 1.389 -13.745 405 HG2 GLU 56 HG2 GLU 56 -4.384 3.023 -11.718 406 HG3 GLU 56 HG1 GLU 56 -2.938 3.589 -12.553 407 H ASP 57 HN ASP 57 -2.499 -0.846 -11.557 408 HA ASP 57 HA ASP 57 -2.106 -2.538 -13.893 409 HB2 ASP 57 HB2 ASP 57 -0.224 -1.326 -12.738 410 HB3 ASP 57 HB1 ASP 57 -0.440 -2.416 -11.377 411 H LEU 58 HN LEU 58 -2.801 -2.896 -10.456 412 HA LEU 58 HA LEU 58 -2.782 -5.794 -10.668 413 HB2 LEU 58 HB2 LEU 58 -2.984 -3.840 -8.406 414 HB3 LEU 58 HB1 LEU 58 -3.500 -5.494 -8.158 415 HG LEU 58 HG LEU 58 -1.252 -6.299 -8.704 416 HD11 LEU 58 HD11 LEU 58 -0.622 -4.501 -10.273 417 HD12 LEU 58 HD12 LEU 58 0.599 -4.779 -9.032 418 HD13 LEU 58 HD13 LEU 58 -0.482 -3.391 -8.910 419 HD21 LEU 58 HD21 LEU 58 -1.275 -4.104 -6.638 420 HD22 LEU 58 HD22 LEU 58 -0.119 -5.437 -6.725 421 HD23 LEU 58 HD23 LEU 58 -1.820 -5.765 -6.395 422 H GLY 59 HN GLY 59 -5.113 -3.201 -10.136 423 HA2 GLY 59 HA2 GLY 59 -7.381 -3.357 -10.830 424 HA3 GLY 59 HA1 GLY 59 -7.256 -5.109 -10.758 425 H LEU 60 HN LEU 60 -5.991 -3.256 -8.139 426 HA LEU 60 HA LEU 60 -7.913 -4.379 -6.303 427 HB2 LEU 60 HB2 LEU 60 -5.692 -2.389 -5.845 428 HB3 LEU 60 HB1 LEU 60 -6.613 -3.184 -4.586 429 HG LEU 60 HG LEU 60 -4.858 -4.640 -6.564 430 HD11 LEU 60 HD11 LEU 60 -3.633 -3.069 -5.046 431 HD12 LEU 60 HD12 LEU 60 -3.197 -4.769 -4.864 432 HD13 LEU 60 HD13 LEU 60 -4.256 -4.003 -3.680 433 HD21 LEU 60 HD21 LEU 60 -6.666 -5.988 -5.622 434 HD22 LEU 60 HD22 LEU 60 -6.173 -5.524 -3.993 435 HD23 LEU 60 HD23 LEU 60 -5.099 -6.505 -4.992 436 H ASP 61 HN ASP 61 -9.881 -3.420 -6.020 437 HA ASP 61 HA ASP 61 -10.102 -0.595 -6.731 438 HB2 ASP 61 HB2 ASP 61 -11.618 -2.276 -7.830 439 HB3 ASP 61 HB1 ASP 61 -12.361 -2.545 -6.256 440 H LEU 62 HN LEU 62 -9.267 0.268 -4.901 441 HA LEU 62 HA LEU 62 -10.377 -0.359 -2.297 442 HB2 LEU 62 HB2 LEU 62 -8.372 1.739 -3.089 443 HB3 LEU 62 HB1 LEU 62 -8.699 1.189 -1.462 444 HG LEU 62 HG LEU 62 -7.520 -0.542 -3.632 445 HD11 LEU 62 HD11 LEU 62 -5.387 -0.187 -2.565 446 HD12 LEU 62 HD12 LEU 62 -6.130 0.875 -1.369 447 HD13 LEU 62 HD13 LEU 62 -6.067 1.363 -3.062 448 HD21 LEU 62 HD21 LEU 62 -8.620 -1.817 -1.866 449 HD22 LEU 62 HD22 LEU 62 -7.717 -0.918 -0.645 450 HD23 LEU 62 HD23 LEU 62 -6.867 -1.983 -1.763 451 H GLY 63 HN GLY 63 -9.740 2.683 -4.000 452 HA2 GLY 63 HA2 GLY 63 -12.176 3.789 -4.285 453 HA3 GLY 63 HA1 GLY 63 -11.827 4.060 -2.583 454 HA PRO 64 HA PRO 64 -9.593 7.234 -5.222 455 HB2 PRO 64 HB2 PRO 64 -11.353 9.231 -5.436 456 HB3 PRO 64 HB1 PRO 64 -11.438 7.805 -6.484 457 HG2 PRO 64 HG2 PRO 64 -13.072 8.481 -4.080 458 HG3 PRO 64 HG1 PRO 64 -13.583 7.737 -5.604 459 HD2 PRO 64 HD2 PRO 64 -13.014 6.373 -3.233 460 HD3 PRO 64 HD1 PRO 64 -13.090 5.648 -4.852 461 H GLU 65 HN GLU 65 -10.685 6.906 -2.185 462 HA GLU 65 HA GLU 65 -9.883 9.588 -1.266 463 HB2 GLU 65 HB2 GLU 65 -11.332 7.461 0.308 464 HB3 GLU 65 HB1 GLU 65 -11.118 9.155 0.742 465 HG2 GLU 65 HG2 GLU 65 -12.601 9.872 -0.941 466 HG3 GLU 65 HG1 GLU 65 -12.625 8.282 -1.704 467 H PHE 66 HN PHE 66 -8.602 6.554 -1.596 468 HA PHE 66 HA PHE 66 -7.427 6.328 1.041 469 HB2 PHE 66 HB2 PHE 66 -8.318 4.342 -0.170 470 HB3 PHE 66 HB1 PHE 66 -7.067 4.555 -1.385 471 HD1 PHE 66 HD2 PHE 66 -7.699 3.655 2.135 472 HD2 PHE 66 HD1 PHE 66 -4.869 3.811 -1.033 473 HE1 PHE 66 HE2 PHE 66 -6.174 2.225 3.431 474 HE2 PHE 66 HE1 PHE 66 -3.345 2.376 0.245 475 HZ PHE 66 HZ PHE 66 -3.990 1.580 2.486 476 H SER 67 HN SER 67 -5.558 7.221 1.590 477 HA SER 67 HA SER 67 -3.449 7.435 -0.451 478 HB2 SER 67 HB2 SER 67 -4.546 9.667 -0.187 479 HB3 SER 67 HB1 SER 67 -4.094 9.649 1.519 480 HG SER 67 HG SER 67 -2.657 10.704 -0.201 481 H LEU 68 HN LEU 68 -1.545 6.659 0.232 482 HA LEU 68 HA LEU 68 -1.344 5.363 2.736 483 HB2 LEU 68 HB2 LEU 68 0.838 6.059 0.783 484 HB3 LEU 68 HB1 LEU 68 1.001 4.953 2.128 485 HG LEU 68 HG LEU 68 -0.721 4.585 -0.315 486 HD11 LEU 68 HD11 LEU 68 1.775 3.273 0.717 487 HD12 LEU 68 HD12 LEU 68 1.553 4.161 -0.798 488 HD13 LEU 68 HD13 LEU 68 0.770 2.594 -0.564 489 HD21 LEU 68 HD21 LEU 68 -1.853 3.725 1.667 490 HD22 LEU 68 HD22 LEU 68 -0.410 2.805 2.094 491 HD23 LEU 68 HD23 LEU 68 -1.302 2.415 0.622 492 H PHE 69 HN PHE 69 -0.912 8.602 1.974 493 HA PHE 69 HA PHE 69 1.170 9.112 3.896 494 HB2 PHE 69 HB2 PHE 69 0.898 10.374 1.737 495 HB3 PHE 69 HB1 PHE 69 -0.582 11.070 2.382 496 HD1 PHE 69 HD1 PHE 69 2.496 10.504 4.346 497 HD2 PHE 69 HD2 PHE 69 0.058 13.317 2.280 498 HE1 PHE 69 HE1 PHE 69 3.797 12.346 5.324 499 HE2 PHE 69 HE2 PHE 69 1.356 15.169 3.266 500 HZ PHE 69 HZ PHE 69 3.229 14.679 4.789 501 H ILE 70 HN ILE 70 -2.172 8.632 3.957 502 HA ILE 70 HA ILE 70 -2.346 9.980 6.576 503 HB ILE 70 HB ILE 70 -4.546 9.867 4.479 504 HG12 ILE 70 HG12 ILE 70 -3.029 12.195 5.674 505 HG13 ILE 70 HG11 ILE 70 -2.859 11.591 4.031 506 HG21 ILE 70 HG21 ILE 70 -4.647 11.037 7.257 507 HG22 ILE 70 HG22 ILE 70 -5.433 9.542 6.741 508 HG23 ILE 70 HG23 ILE 70 -5.928 11.085 6.045 509 HD11 ILE 70 HD11 ILE 70 -5.164 12.230 3.546 510 HD12 ILE 70 HD12 ILE 70 -4.213 13.610 4.094 511 HD13 ILE 70 HD13 ILE 70 -5.350 12.829 5.193 512 H ASP 71 HN ASP 71 -3.411 7.313 4.514 513 HA ASP 71 HA ASP 71 -4.879 6.126 6.742 514 HB2 ASP 71 HB2 ASP 71 -4.728 5.285 3.831 515 HB3 ASP 71 HB1 ASP 71 -5.772 4.590 5.054 516 H CYS 72 HN CYS 72 -1.782 6.161 6.047 517 HA CYS 72 HA CYS 72 -1.253 3.529 7.045 518 HB2 CYS 72 HB2 CYS 72 -0.469 4.257 4.218 519 HB3 CYS 72 HB1 CYS 72 0.317 2.971 5.125 520 HG CYS 72 HG CYS 72 -2.940 2.530 5.222 521 H THR 73 HN THR 73 1.047 3.256 7.524 522 HA THR 73 HA THR 73 2.522 5.802 7.629 523 HB THR 73 HB THR 73 3.156 5.268 9.974 524 HG1 THR 73 HG1 THR 73 1.172 3.470 10.476 525 HG21 THR 73 HG21 THR 73 1.283 6.743 9.652 526 HG22 THR 73 HG22 THR 73 0.887 5.643 10.976 527 HG23 THR 73 HG23 THR 73 0.204 5.377 9.367 528 H THR 74 HN THR 74 3.265 2.580 8.965 529 HA THR 74 HA THR 74 5.808 2.582 7.574 530 HB THR 74 HB THR 74 6.241 0.473 8.752 531 HG1 THR 74 HG1 THR 74 4.679 -0.456 10.052 532 HG21 THR 74 HG21 THR 74 5.045 2.582 10.557 533 HG22 THR 74 HG22 THR 74 6.687 2.590 9.917 534 HG23 THR 74 HG23 THR 74 6.186 1.331 11.049 535 H VAL 75 HN VAL 75 6.246 -0.060 6.915 536 HA VAL 75 HA VAL 75 4.731 -0.254 4.480 537 HB VAL 75 HB VAL 75 6.391 -2.563 5.295 538 HG11 VAL 75 HG11 VAL 75 5.396 -2.497 3.095 539 HG12 VAL 75 HG12 VAL 75 7.148 -2.350 2.948 540 HG13 VAL 75 HG13 VAL 75 6.126 -0.923 2.782 541 HG21 VAL 75 HG21 VAL 75 8.461 -1.337 4.640 542 HG22 VAL 75 HG22 VAL 75 7.771 -0.848 6.186 543 HG23 VAL 75 HG23 VAL 75 7.538 0.161 4.755 544 H ARG 76 HN ARG 76 4.955 -2.119 7.492 545 HA ARG 76 HA ARG 76 3.153 -4.135 6.806 546 HB2 ARG 76 HB2 ARG 76 4.527 -4.230 8.817 547 HB3 ARG 76 HB1 ARG 76 3.579 -2.925 9.524 548 HG2 ARG 76 HG2 ARG 76 1.597 -4.321 9.497 549 HG3 ARG 76 HG1 ARG 76 2.497 -5.619 8.709 550 HD2 ARG 76 HD2 ARG 76 2.948 -4.501 11.472 551 HD3 ARG 76 HD1 ARG 76 2.318 -6.097 11.059 552 HE ARG 76 HE ARG 76 4.934 -5.534 9.975 553 HH11 ARG 76 HH11 ARG 76 3.119 -6.841 12.682 554 HH12 ARG 76 HH12 ARG 76 4.472 -7.744 13.312 555 HH21 ARG 76 HH21 ARG 76 6.704 -6.733 10.818 556 HH22 ARG 76 HH22 ARG 76 6.486 -7.701 12.241 557 H ALA 77 HN ALA 77 2.604 -0.887 7.965 558 HA ALA 77 HA ALA 77 -0.077 -0.961 8.618 559 HB1 ALA 77 HB1 ALA 77 -0.130 1.403 8.087 560 HB2 ALA 77 HB2 ALA 77 1.336 1.241 7.119 561 HB3 ALA 77 HB3 ALA 77 1.404 1.004 8.866 562 H LEU 78 HN LEU 78 1.450 -1.047 5.472 563 HA LEU 78 HA LEU 78 -1.065 -0.882 4.037 564 HB2 LEU 78 HB2 LEU 78 1.563 -0.382 3.398 565 HB3 LEU 78 HB1 LEU 78 1.279 -1.919 2.618 566 HG LEU 78 HG LEU 78 -0.410 0.531 2.180 567 HD11 LEU 78 HD11 LEU 78 1.877 0.935 1.464 568 HD12 LEU 78 HD12 LEU 78 0.822 0.740 0.061 569 HD13 LEU 78 HD13 LEU 78 1.882 -0.579 0.563 570 HD21 LEU 78 HD21 LEU 78 -1.576 -1.518 1.658 571 HD22 LEU 78 HD22 LEU 78 -0.210 -2.076 0.685 572 HD23 LEU 78 HD23 LEU 78 -1.142 -0.670 0.172 573 H LYS 79 HN LYS 79 1.462 -3.271 4.635 574 HA LYS 79 HA LYS 79 0.505 -5.469 3.292 575 HB2 LYS 79 HB2 LYS 79 1.727 -5.633 6.052 576 HB3 LYS 79 HB1 LYS 79 1.775 -6.853 4.768 577 HG2 LYS 79 HG2 LYS 79 2.968 -4.197 4.150 578 HG3 LYS 79 HG1 LYS 79 3.849 -5.195 5.313 579 HD2 LYS 79 HD2 LYS 79 3.869 -7.027 3.701 580 HD3 LYS 79 HD1 LYS 79 2.986 -6.032 2.540 581 HE2 LYS 79 HE2 LYS 79 5.124 -5.685 1.810 582 HE3 LYS 79 HE1 LYS 79 4.980 -4.369 2.973 583 HZ1 LYS 79 HZ1 LYS 79 7.049 -5.493 3.315 584 HZ2 LYS 79 HZ2 LYS 79 6.288 -6.998 3.424 585 HZ3 LYS 79 HZ3 LYS 79 6.044 -5.841 4.636 586 H ASP 80 HN ASP 80 -0.044 -4.719 6.694 587 HA ASP 80 HA ASP 80 -1.717 -6.935 7.188 588 HB2 ASP 80 HB2 ASP 80 -0.320 -5.725 8.874 589 HB3 ASP 80 HB1 ASP 80 -1.463 -4.390 8.803 590 H PHE 81 HN PHE 81 -2.313 -3.699 6.108 591 HA PHE 81 HA PHE 81 -5.081 -3.605 6.724 592 HB2 PHE 81 HB2 PHE 81 -3.723 -1.573 6.311 593 HB3 PHE 81 HB1 PHE 81 -3.568 -2.040 4.616 594 HD1 PHE 81 HD1 PHE 81 -6.019 -1.091 7.228 595 HD2 PHE 81 HD2 PHE 81 -5.238 -1.491 3.062 596 HE1 PHE 81 HE1 PHE 81 -8.124 0.077 6.727 597 HE2 PHE 81 HE2 PHE 81 -7.347 -0.326 2.556 598 HZ PHE 81 HZ PHE 81 -8.791 0.454 4.387 599 H MET 82 HN MET 82 -3.231 -4.618 3.914 600 HA MET 82 HA MET 82 -5.305 -4.906 2.062 601 HB2 MET 82 HB2 MET 82 -2.875 -6.658 2.332 602 HB3 MET 82 HB1 MET 82 -3.858 -6.466 0.889 603 HG2 MET 82 HG2 MET 82 -3.228 -4.056 0.850 604 HG3 MET 82 HG1 MET 82 -2.139 -4.374 2.201 605 HE1 MET 82 HE1 MET 82 -1.970 -3.527 -1.277 606 HE2 MET 82 HE2 MET 82 -2.968 -4.961 -1.514 607 HE3 MET 82 HE3 MET 82 -1.332 -4.905 -2.178 608 H LEU 83 HN LEU 83 -4.058 -7.230 4.430 609 HA LEU 83 HA LEU 83 -6.083 -9.162 3.783 610 HB2 LEU 83 HB2 LEU 83 -4.088 -9.042 6.050 611 HB3 LEU 83 HB1 LEU 83 -5.181 -10.380 5.787 612 HG LEU 83 HG LEU 83 -4.063 -10.708 3.532 613 HD11 LEU 83 HD11 LEU 83 -2.010 -8.847 4.692 614 HD12 LEU 83 HD12 LEU 83 -3.055 -8.505 3.314 615 HD13 LEU 83 HD13 LEU 83 -1.849 -9.788 3.208 616 HD21 LEU 83 HD21 LEU 83 -2.104 -11.852 4.476 617 HD22 LEU 83 HD22 LEU 83 -3.556 -12.165 5.426 618 HD23 LEU 83 HD23 LEU 83 -2.355 -11.006 6.003 619 H GLY 84 HN GLY 84 -5.467 -6.857 6.391 620 HA2 GLY 84 HA2 GLY 84 -7.679 -5.796 7.096 621 HA3 GLY 84 HA1 GLY 84 -8.140 -7.451 7.479 622 H SER 85 HN SER 85 -7.041 -8.551 9.137 623 HA SER 85 HA SER 85 -4.933 -7.462 10.673 624 HB2 SER 85 HB2 SER 85 -6.902 -5.963 11.363 625 HB3 SER 85 HB1 SER 85 -7.595 -7.395 12.123 626 HG SER 85 HG SER 85 -4.966 -6.988 12.777 627 H GLY 86 HN GLY 86 -5.723 -9.867 9.368 628 HA2 GLY 86 HA2 GLY 86 -4.976 -11.982 10.680 629 HA3 GLY 86 HA1 GLY 86 -6.522 -11.709 11.477 630 H ASP 87 HN ASP 87 -6.093 -14.034 10.132 631 HA ASP 87 HA ASP 87 -8.051 -13.790 7.982 632 HB2 ASP 87 HB2 ASP 87 -5.954 -13.876 6.786 633 HB3 ASP 87 HB1 ASP 87 -5.407 -15.248 7.748 634 H ALA 88 HN ALA 88 -9.672 -15.119 8.334 635 HA ALA 88 HA ALA 88 -10.931 -16.875 8.998 636 HB1 ALA 88 HB1 ALA 88 -8.417 -18.458 8.509 637 HB2 ALA 88 HB2 ALA 88 -9.567 -17.961 7.270 638 HB3 ALA 88 HB3 ALA 88 -10.067 -19.083 8.536 639 H GLY 89 HN GLY 89 -11.132 -16.064 11.156 640 HA2 GLY 89 HA2 GLY 89 -10.149 -18.041 13.072 641 HA3 GLY 89 HA1 GLY 89 -9.699 -16.370 13.381 642 H282 PNS 90 H28A PNS 44 -1.334 15.874 -3.778 643 H281 PNS 90 H28B PNS 44 -1.496 14.238 -3.138 644 H303 PNS 90 H30A PNS 44 -3.080 13.489 -6.191 645 H302 PNS 90 H30B PNS 44 -2.085 12.928 -4.844 646 H301 PNS 90 H30C PNS 44 -1.512 14.235 -5.882 647 H313 PNS 90 H31A PNS 44 -4.743 14.928 -3.224 648 H312 PNS 90 H31B PNS 44 -4.059 13.309 -3.371 649 H311 PNS 90 H31C PNS 44 -5.011 13.989 -4.692 650 H32 PNS 90 H32A PNS 44 -2.528 16.535 -5.694 651 H33 PNS 90 H33A PNS 44 -4.209 14.713 -6.552 652 H36 PNS 90 H36A PNS 44 -5.679 16.929 -5.857 653 H372 PNS 90 H37A PNS 44 -6.873 17.851 -3.629 654 H371 PNS 90 H37B PNS 44 -5.792 19.180 -4.059 655 H382 PNS 90 H38A PNS 44 -6.846 19.424 -6.196 656 H381 PNS 90 H38B PNS 44 -7.800 17.968 -5.946 657 H41 PNS 90 H41A PNS 44 -7.974 19.056 -3.013 658 H422 PNS 90 H42A PNS 44 -9.544 21.402 -3.048 659 H421 PNS 90 H42B PNS 44 -10.590 19.985 -3.093 660 H431 PNS 90 H43A PNS 44 -8.532 20.622 -0.987 661 H432 PNS 90 H43B PNS 44 -9.485 19.143 -1.052 662 H44 PNS 90 H1 PNS 44 -11.935 20.422 -0.674 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -25.451 -5.867 5.293 2 H2 ALA 1 HT2 ALA 1 -24.803 -5.705 6.852 3 H3 ALA 1 HT3 ALA 1 -23.771 -5.904 5.521 4 HA ALA 1 HA ALA 1 -24.472 -3.785 4.621 5 HB1 ALA 1 HB1 ALA 1 -26.735 -3.779 5.558 6 HB2 ALA 1 HB2 ALA 1 -25.870 -2.293 5.955 7 HB3 ALA 1 HB3 ALA 1 -26.065 -3.551 7.175 8 H MET 2 HN MET 2 -23.032 -2.181 4.934 9 HA MET 2 HA MET 2 -21.267 -1.029 5.739 10 HB2 MET 2 HB2 MET 2 -22.826 -0.436 7.568 11 HB3 MET 2 HB1 MET 2 -22.265 -1.831 8.477 12 HG2 MET 2 HG2 MET 2 -21.168 0.092 9.334 13 HG3 MET 2 HG1 MET 2 -19.979 -0.855 8.443 14 HE1 MET 2 HE1 MET 2 -22.127 2.406 8.567 15 HE2 MET 2 HE2 MET 2 -22.801 1.600 7.149 16 HE3 MET 2 HE3 MET 2 -21.868 3.086 6.960 17 H ALA 3 HN ALA 3 -20.005 -2.752 4.728 18 HA ALA 3 HA ALA 3 -18.147 -3.859 6.651 19 HB1 ALA 3 HB1 ALA 3 -19.768 -5.673 6.341 20 HB2 ALA 3 HB2 ALA 3 -18.187 -6.092 5.678 21 HB3 ALA 3 HB3 ALA 3 -19.497 -5.614 4.599 22 H LYS 4 HN LYS 4 -16.120 -3.774 5.898 23 HA LYS 4 HA LYS 4 -15.672 -3.403 3.029 24 HB2 LYS 4 HB2 LYS 4 -15.849 -1.156 4.073 25 HB3 LYS 4 HB1 LYS 4 -14.533 -1.581 5.158 26 HG2 LYS 4 HG2 LYS 4 -13.764 -0.185 3.322 27 HG3 LYS 4 HG1 LYS 4 -13.023 -1.783 3.260 28 HD2 LYS 4 HD2 LYS 4 -14.544 -2.475 1.523 29 HD3 LYS 4 HD1 LYS 4 -15.429 -0.956 1.644 30 HE2 LYS 4 HE2 LYS 4 -12.516 -1.116 0.917 31 HE3 LYS 4 HE1 LYS 4 -13.814 -1.132 -0.276 32 HZ1 LYS 4 HZ1 LYS 4 -12.897 1.091 0.052 33 HZ2 LYS 4 HZ2 LYS 4 -13.317 1.048 1.694 34 HZ3 LYS 4 HZ3 LYS 4 -14.530 1.029 0.507 35 H GLY 5 HN GLY 5 -14.760 -5.446 2.953 36 HA2 GLY 5 HA2 GLY 5 -12.048 -5.594 4.099 37 HA3 GLY 5 HA1 GLY 5 -13.141 -6.964 4.251 38 H VAL 6 HN VAL 6 -10.611 -5.853 2.536 39 HA VAL 6 HA VAL 6 -11.469 -6.509 -0.131 40 HB VAL 6 HB VAL 6 -8.668 -6.041 0.869 41 HG11 VAL 6 HG11 VAL 6 -8.745 -7.208 -1.277 42 HG12 VAL 6 HG12 VAL 6 -8.131 -5.567 -1.462 43 HG13 VAL 6 HG13 VAL 6 -9.789 -5.944 -1.929 44 HG21 VAL 6 HG21 VAL 6 -10.618 -4.111 -0.373 45 HG22 VAL 6 HG22 VAL 6 -8.935 -3.760 0.028 46 HG23 VAL 6 HG23 VAL 6 -10.090 -4.116 1.310 47 H GLY 7 HN GLY 7 -8.534 -7.785 1.412 48 HA2 GLY 7 HA2 GLY 7 -8.010 -10.037 1.889 49 HA3 GLY 7 HA1 GLY 7 -9.514 -10.525 1.118 50 H VAL 8 HN VAL 8 -6.148 -9.966 0.697 51 HA VAL 8 HA VAL 8 -6.418 -10.409 -2.202 52 HB VAL 8 HB VAL 8 -4.394 -9.256 -2.608 53 HG11 VAL 8 HG11 VAL 8 -5.808 -7.733 -0.425 54 HG12 VAL 8 HG12 VAL 8 -6.255 -7.764 -2.130 55 HG13 VAL 8 HG13 VAL 8 -4.720 -7.052 -1.632 56 HG21 VAL 8 HG21 VAL 8 -2.973 -10.175 -0.910 57 HG22 VAL 8 HG22 VAL 8 -3.873 -9.355 0.367 58 HG23 VAL 8 HG23 VAL 8 -2.919 -8.419 -0.785 59 H SER 9 HN SER 9 -4.840 -11.791 -3.216 60 HA SER 9 HA SER 9 -4.198 -14.102 -1.642 61 HB2 SER 9 HB2 SER 9 -3.458 -13.434 -4.503 62 HB3 SER 9 HB1 SER 9 -3.414 -15.034 -3.760 63 HG SER 9 HG SER 9 -5.536 -15.180 -3.888 64 H ASN 10 HN ASN 10 -1.964 -15.046 -1.729 65 HA ASN 10 HA ASN 10 -0.023 -13.289 -0.682 66 HB2 ASN 10 HB2 ASN 10 -0.143 -15.811 -0.378 67 HB3 ASN 10 HB1 ASN 10 0.525 -15.960 -2.000 68 HD21 ASN 10 HD21 ASN 10 1.385 -13.529 0.401 69 HD22 ASN 10 HD22 ASN 10 3.010 -14.073 0.643 70 H GLU 11 HN GLU 11 -0.727 -14.475 -3.848 71 HA GLU 11 HA GLU 11 1.416 -13.528 -5.366 72 HB2 GLU 11 HB2 GLU 11 -0.146 -14.883 -6.495 73 HB3 GLU 11 HB1 GLU 11 -1.515 -13.988 -5.863 74 HG2 GLU 11 HG2 GLU 11 -0.452 -12.058 -7.344 75 HG3 GLU 11 HG1 GLU 11 0.185 -13.445 -8.230 76 H LYS 12 HN LYS 12 -1.527 -11.914 -4.335 77 HA LYS 12 HA LYS 12 -0.929 -9.484 -5.696 78 HB2 LYS 12 HB2 LYS 12 -2.969 -10.259 -3.638 79 HB3 LYS 12 HB1 LYS 12 -2.863 -8.635 -4.304 80 HG2 LYS 12 HG2 LYS 12 -2.945 -9.809 -6.599 81 HG3 LYS 12 HG1 LYS 12 -3.526 -11.201 -5.691 82 HD2 LYS 12 HD2 LYS 12 -5.497 -10.118 -5.060 83 HD3 LYS 12 HD1 LYS 12 -4.839 -8.517 -5.420 84 HE2 LYS 12 HE2 LYS 12 -6.477 -9.342 -7.109 85 HE3 LYS 12 HE1 LYS 12 -4.887 -8.936 -7.760 86 HZ1 LYS 12 HZ1 LYS 12 -4.319 -11.310 -7.717 87 HZ2 LYS 12 HZ2 LYS 12 -5.667 -11.004 -8.701 88 HZ3 LYS 12 HZ3 LYS 12 -5.881 -11.676 -7.160 89 H LEU 13 HN LEU 13 -0.169 -10.814 -2.611 90 HA LEU 13 HA LEU 13 0.755 -8.380 -1.426 91 HB2 LEU 13 HB2 LEU 13 0.234 -10.560 -0.232 92 HB3 LEU 13 HB1 LEU 13 1.765 -11.169 -0.831 93 HG LEU 13 HG LEU 13 2.694 -8.981 0.295 94 HD11 LEU 13 HD11 LEU 13 1.473 -8.399 2.321 95 HD12 LEU 13 HD12 LEU 13 0.190 -9.524 1.874 96 HD13 LEU 13 HD13 LEU 13 0.499 -8.099 0.882 97 HD21 LEU 13 HD21 LEU 13 3.118 -10.276 2.327 98 HD22 LEU 13 HD22 LEU 13 3.358 -11.239 0.867 99 HD23 LEU 13 HD23 LEU 13 1.892 -11.444 1.829 100 H ASP 14 HN ASP 14 2.063 -10.650 -3.726 101 HA ASP 14 HA ASP 14 4.791 -9.778 -3.404 102 HB2 ASP 14 HB2 ASP 14 3.632 -12.025 -4.432 103 HB3 ASP 14 HB1 ASP 14 4.009 -11.165 -5.902 104 H ALA 15 HN ALA 15 2.028 -8.884 -5.194 105 HA ALA 15 HA ALA 15 3.468 -7.505 -7.294 106 HB1 ALA 15 HB1 ALA 15 1.263 -6.952 -8.173 107 HB2 ALA 15 HB2 ALA 15 0.511 -7.577 -6.705 108 HB3 ALA 15 HB3 ALA 15 1.365 -8.672 -7.790 109 H VAL 16 HN VAL 16 1.757 -6.713 -4.333 110 HA VAL 16 HA VAL 16 1.589 -3.939 -4.806 111 HB VAL 16 HB VAL 16 0.166 -4.836 -3.137 112 HG11 VAL 16 HG11 VAL 16 1.006 -5.829 -1.050 113 HG12 VAL 16 HG12 VAL 16 2.657 -5.704 -1.660 114 HG13 VAL 16 HG13 VAL 16 1.495 -6.764 -2.465 115 HG21 VAL 16 HG21 VAL 16 0.937 -2.554 -2.744 116 HG22 VAL 16 HG22 VAL 16 2.306 -3.166 -1.813 117 HG23 VAL 16 HG23 VAL 16 0.660 -3.395 -1.218 118 H MET 17 HN MET 17 4.012 -5.909 -3.174 119 HA MET 17 HA MET 17 5.442 -3.797 -2.023 120 HB2 MET 17 HB2 MET 17 6.382 -6.564 -2.812 121 HB3 MET 17 HB1 MET 17 7.319 -5.435 -1.859 122 HG2 MET 17 HG2 MET 17 5.585 -5.421 -0.148 123 HG3 MET 17 HG1 MET 17 4.657 -6.572 -1.102 124 HE1 MET 17 HE1 MET 17 8.779 -7.592 0.733 125 HE2 MET 17 HE2 MET 17 8.038 -5.996 0.842 126 HE3 MET 17 HE3 MET 17 8.588 -6.606 -0.717 127 H ARG 18 HN ARG 18 5.545 -5.046 -5.308 128 HA ARG 18 HA ARG 18 7.974 -3.639 -5.883 129 HB2 ARG 18 HB2 ARG 18 7.497 -4.202 -8.267 130 HB3 ARG 18 HB1 ARG 18 7.660 -5.574 -7.183 131 HG2 ARG 18 HG2 ARG 18 5.339 -5.983 -7.201 132 HG3 ARG 18 HG1 ARG 18 4.997 -4.433 -7.970 133 HD2 ARG 18 HD2 ARG 18 5.945 -5.146 -10.028 134 HD3 ARG 18 HD1 ARG 18 6.643 -6.582 -9.282 135 HE ARG 18 HE ARG 18 4.491 -7.564 -9.215 136 HH11 ARG 18 HH11 ARG 18 4.460 -4.429 -10.794 137 HH12 ARG 18 HH12 ARG 18 3.021 -4.763 -11.709 138 HH21 ARG 18 HH21 ARG 18 2.599 -8.009 -10.440 139 HH22 ARG 18 HH22 ARG 18 1.977 -6.803 -11.516 140 H VAL 19 HN VAL 19 4.545 -2.967 -6.191 141 HA VAL 19 HA VAL 19 4.884 -0.624 -7.784 142 HB VAL 19 HB VAL 19 2.637 -1.514 -5.951 143 HG11 VAL 19 HG11 VAL 19 2.781 0.925 -7.719 144 HG12 VAL 19 HG12 VAL 19 2.648 0.902 -5.963 145 HG13 VAL 19 HG13 VAL 19 1.313 0.320 -6.961 146 HG21 VAL 19 HG21 VAL 19 1.461 -1.955 -8.038 147 HG22 VAL 19 HG22 VAL 19 3.003 -2.806 -8.039 148 HG23 VAL 19 HG23 VAL 19 2.814 -1.321 -8.972 149 H VAL 20 HN VAL 20 4.781 -1.353 -4.379 150 HA VAL 20 HA VAL 20 5.062 1.283 -3.401 151 HB VAL 20 HB VAL 20 5.643 -1.456 -2.267 152 HG11 VAL 20 HG11 VAL 20 6.140 1.159 -0.841 153 HG12 VAL 20 HG12 VAL 20 7.386 0.031 -1.379 154 HG13 VAL 20 HG13 VAL 20 6.236 -0.453 -0.130 155 HG21 VAL 20 HG21 VAL 20 3.716 0.755 -1.555 156 HG22 VAL 20 HG22 VAL 20 3.908 -0.742 -0.640 157 HG23 VAL 20 HG23 VAL 20 3.326 -0.797 -2.304 158 H SER 21 HN SER 21 7.347 -1.156 -4.492 159 HA SER 21 HA SER 21 9.673 0.148 -3.521 160 HB2 SER 21 HB2 SER 21 9.534 -2.303 -4.023 161 HB3 SER 21 HB1 SER 21 9.455 -1.927 -5.738 162 HG SER 21 HG SER 21 11.580 -1.097 -4.053 163 H GLU 22 HN GLU 22 7.744 0.552 -6.388 164 HA GLU 22 HA GLU 22 9.896 1.760 -7.885 165 HB2 GLU 22 HB2 GLU 22 6.988 1.256 -8.519 166 HB3 GLU 22 HB1 GLU 22 8.101 2.056 -9.627 167 HG2 GLU 22 HG2 GLU 22 9.499 0.088 -9.696 168 HG3 GLU 22 HG1 GLU 22 8.467 -0.714 -8.518 169 H GLU 23 HN GLU 23 7.098 2.713 -6.054 170 HA GLU 23 HA GLU 23 7.226 5.460 -6.871 171 HB2 GLU 23 HB2 GLU 23 5.663 3.948 -4.792 172 HB3 GLU 23 HB1 GLU 23 5.495 5.685 -5.019 173 HG2 GLU 23 HG2 GLU 23 5.090 3.647 -7.183 174 HG3 GLU 23 HG1 GLU 23 3.784 4.309 -6.199 175 H SER 24 HN SER 24 8.084 3.640 -3.933 176 HA SER 24 HA SER 24 8.890 5.962 -2.489 177 HB2 SER 24 HB2 SER 24 9.833 4.348 -0.876 178 HB3 SER 24 HB1 SER 24 8.169 3.967 -1.304 179 HG SER 24 HG SER 24 8.814 2.232 -2.407 180 H GLY 25 HN GLY 25 10.638 3.449 -4.271 181 HA2 GLY 25 HA2 GLY 25 12.715 3.946 -5.423 182 HA3 GLY 25 HA1 GLY 25 13.031 5.189 -4.212 183 H ILE 26 HN ILE 26 11.747 2.642 -2.612 184 HA ILE 26 HA ILE 26 14.367 1.700 -1.726 185 HB ILE 26 HB ILE 26 11.774 0.725 -0.589 186 HG12 ILE 26 HG12 ILE 26 13.119 3.250 0.378 187 HG13 ILE 26 HG11 ILE 26 11.774 3.281 -0.760 188 HG21 ILE 26 HG21 ILE 26 13.776 -0.340 0.182 189 HG22 ILE 26 HG22 ILE 26 13.131 0.657 1.489 190 HG23 ILE 26 HG23 ILE 26 14.514 1.219 0.546 191 HD11 ILE 26 HD11 ILE 26 10.359 2.172 0.890 192 HD12 ILE 26 HD12 ILE 26 11.036 3.671 1.531 193 HD13 ILE 26 HD13 ILE 26 11.713 2.116 2.018 194 H ALA 27 HN ALA 27 15.117 0.190 -3.096 195 HA ALA 27 HA ALA 27 13.922 -1.557 -4.769 196 HB1 ALA 27 HB1 ALA 27 16.281 -2.219 -3.008 197 HB2 ALA 27 HB2 ALA 27 16.355 -1.279 -4.497 198 HB3 ALA 27 HB3 ALA 27 15.883 -2.977 -4.549 199 H LEU 28 HN LEU 28 13.057 -3.595 -4.750 200 HA LEU 28 HA LEU 28 11.307 -4.266 -2.704 201 HB2 LEU 28 HB2 LEU 28 11.053 -5.018 -4.999 202 HB3 LEU 28 HB1 LEU 28 12.514 -5.973 -4.889 203 HG LEU 28 HG LEU 28 11.306 -7.330 -3.091 204 HD11 LEU 28 HD11 LEU 28 8.846 -7.323 -3.259 205 HD12 LEU 28 HD12 LEU 28 8.938 -5.887 -4.279 206 HD13 LEU 28 HD13 LEU 28 9.483 -5.813 -2.605 207 HD21 LEU 28 HD21 LEU 28 11.746 -8.148 -5.328 208 HD22 LEU 28 HD22 LEU 28 10.293 -7.347 -5.925 209 HD23 LEU 28 HD23 LEU 28 10.160 -8.680 -4.773 210 H GLU 29 HN GLU 29 14.649 -5.232 -3.202 211 HA GLU 29 HA GLU 29 14.569 -7.392 -1.287 212 HB2 GLU 29 HB2 GLU 29 17.046 -6.013 -2.302 213 HB3 GLU 29 HB1 GLU 29 16.876 -7.662 -1.724 214 HG2 GLU 29 HG2 GLU 29 15.687 -8.306 -3.712 215 HG3 GLU 29 HG1 GLU 29 15.619 -6.630 -4.261 216 H GLU 30 HN GLU 30 14.657 -4.068 -1.008 217 HA GLU 30 HA GLU 30 16.062 -4.162 1.586 218 HB2 GLU 30 HB2 GLU 30 15.409 -1.695 -0.029 219 HB3 GLU 30 HB1 GLU 30 16.446 -1.813 1.388 220 HG2 GLU 30 HG2 GLU 30 17.079 -3.028 -1.295 221 HG3 GLU 30 HG1 GLU 30 17.660 -1.475 -0.714 222 H LEU 31 HN LEU 31 13.107 -4.186 0.178 223 HA LEU 31 HA LEU 31 11.752 -2.289 1.840 224 HB2 LEU 31 HB2 LEU 31 11.004 -2.897 -0.451 225 HB3 LEU 31 HB1 LEU 31 10.613 -4.508 0.129 226 HG LEU 31 HG LEU 31 8.960 -3.516 1.677 227 HD11 LEU 31 HD11 LEU 31 10.014 -1.318 1.892 228 HD12 LEU 31 HD12 LEU 31 8.314 -1.204 1.439 229 HD13 LEU 31 HD13 LEU 31 9.570 -0.956 0.223 230 HD21 LEU 31 HD21 LEU 31 8.267 -4.345 -0.506 231 HD22 LEU 31 HD22 LEU 31 8.600 -2.765 -1.217 232 HD23 LEU 31 HD23 LEU 31 7.311 -2.942 -0.026 233 H THR 32 HN THR 32 11.974 -2.769 3.914 234 HA THR 32 HA THR 32 10.796 -5.293 4.856 235 HB THR 32 HB THR 32 12.288 -5.294 6.745 236 HG1 THR 32 HG1 THR 32 13.181 -3.519 7.456 237 HG21 THR 32 HG21 THR 32 13.304 -6.219 4.735 238 HG22 THR 32 HG22 THR 32 14.523 -5.389 5.696 239 HG23 THR 32 HG23 THR 32 13.872 -4.618 4.246 240 H ASP 33 HN ASP 33 9.772 -5.025 7.063 241 HA ASP 33 HA ASP 33 7.971 -2.822 6.942 242 HB2 ASP 33 HB2 ASP 33 7.070 -3.677 9.103 243 HB3 ASP 33 HB1 ASP 33 7.129 -4.882 7.826 244 H ASP 34 HN ASP 34 11.072 -2.904 8.013 245 HA ASP 34 HA ASP 34 10.957 -1.171 10.266 246 HB2 ASP 34 HB2 ASP 34 13.196 -1.545 8.262 247 HB3 ASP 34 HB1 ASP 34 13.344 -0.822 9.861 248 H SER 35 HN SER 35 10.631 -0.716 6.866 249 HA SER 35 HA SER 35 11.634 1.981 6.795 250 HB2 SER 35 HB2 SER 35 9.986 0.492 4.739 251 HB3 SER 35 HB1 SER 35 10.906 1.974 4.463 252 HG SER 35 HG SER 35 12.364 -0.092 5.559 253 H ASN 36 HN ASN 36 10.488 3.854 6.374 254 HA ASN 36 HA ASN 36 7.689 3.804 7.317 255 HB2 ASN 36 HB2 ASN 36 9.438 4.554 9.030 256 HB3 ASN 36 HB1 ASN 36 9.744 5.924 7.978 257 HD21 ASN 36 HD21 ASN 36 7.464 4.512 10.232 258 HD22 ASN 36 HD22 ASN 36 6.462 5.904 10.344 259 H PHE 37 HN PHE 37 6.362 4.735 5.867 260 HA PHE 37 HA PHE 37 7.242 5.660 3.390 261 HB2 PHE 37 HB2 PHE 37 4.635 5.833 4.855 262 HB3 PHE 37 HB1 PHE 37 4.845 6.736 3.355 263 HD1 PHE 37 HD1 PHE 37 6.083 5.183 1.452 264 HD2 PHE 37 HD2 PHE 37 3.621 3.827 4.645 265 HE1 PHE 37 HE1 PHE 37 5.544 3.142 0.172 266 HE2 PHE 37 HE2 PHE 37 3.081 1.800 3.389 267 HZ PHE 37 HZ PHE 37 4.187 1.462 1.067 268 H ALA 38 HN ALA 38 6.228 7.505 6.255 269 HA ALA 38 HA ALA 38 6.563 10.041 4.973 270 HB1 ALA 38 HB1 ALA 38 4.996 9.790 6.784 271 HB2 ALA 38 HB2 ALA 38 6.235 10.970 7.214 272 HB3 ALA 38 HB3 ALA 38 6.299 9.342 7.886 273 H ASP 39 HN ASP 39 8.637 7.942 6.870 274 HA ASP 39 HA ASP 39 10.645 9.910 7.365 275 HB2 ASP 39 HB2 ASP 39 10.572 7.899 8.747 276 HB3 ASP 39 HB1 ASP 39 10.838 6.889 7.325 277 H MET 40 HN MET 40 9.954 7.679 4.805 278 HA MET 40 HA MET 40 12.531 7.925 3.562 279 HB2 MET 40 HB2 MET 40 10.756 5.998 3.425 280 HB3 MET 40 HB1 MET 40 10.072 6.964 2.130 281 HG2 MET 40 HG2 MET 40 12.921 5.997 2.177 282 HG3 MET 40 HG1 MET 40 11.595 5.137 1.410 283 HE1 MET 40 HE1 MET 40 14.387 6.140 0.072 284 HE2 MET 40 HE2 MET 40 13.814 6.650 -1.514 285 HE3 MET 40 HE3 MET 40 13.211 5.154 -0.797 286 H GLY 41 HN GLY 41 9.523 9.616 3.461 287 HA2 GLY 41 HA2 GLY 41 9.575 11.930 2.707 288 HA3 GLY 41 HA1 GLY 41 10.699 11.441 1.448 289 H ILE 42 HN ILE 42 7.912 9.491 2.186 290 HA ILE 42 HA ILE 42 6.864 9.787 -0.454 291 HB ILE 42 HB ILE 42 5.732 8.435 2.008 292 HG12 ILE 42 HG12 ILE 42 7.795 7.494 1.027 293 HG13 ILE 42 HG11 ILE 42 6.425 6.393 0.921 294 HG21 ILE 42 HG21 ILE 42 4.670 8.452 -0.810 295 HG22 ILE 42 HG22 ILE 42 3.868 9.068 0.638 296 HG23 ILE 42 HG23 ILE 42 4.150 7.337 0.452 297 HD11 ILE 42 HD11 ILE 42 7.696 6.316 -1.119 298 HD12 ILE 42 HD12 ILE 42 7.568 8.065 -1.305 299 HD13 ILE 42 HD13 ILE 42 6.127 7.058 -1.435 300 H ASP 43 HN ASP 43 5.978 11.678 -1.020 301 HA ASP 43 HA ASP 43 4.441 13.286 0.840 302 HB2 ASP 43 HB2 ASP 43 4.930 13.562 -2.136 303 HB3 ASP 43 HB1 ASP 43 3.973 14.696 -1.198 304 H SER 44 HN SER 44 2.245 14.053 0.105 305 HA SER 44 HA SER 44 0.399 11.997 -0.003 306 HB2 SER 44 HB2 SER 44 -1.141 13.890 -0.877 307 HB3 SER 44 HB1 SER 44 -0.382 14.108 0.707 308 H LEU 45 HN LEU 45 1.949 13.807 -2.565 309 HA LEU 45 HA LEU 45 0.496 13.058 -4.791 310 HB2 LEU 45 HB2 LEU 45 2.501 14.657 -4.565 311 HB3 LEU 45 HB1 LEU 45 3.514 13.236 -4.738 312 HG LEU 45 HG LEU 45 3.206 14.613 -6.806 313 HD11 LEU 45 HD11 LEU 45 3.980 12.317 -6.932 314 HD12 LEU 45 HD12 LEU 45 2.930 12.694 -8.297 315 HD13 LEU 45 HD13 LEU 45 2.315 11.737 -6.949 316 HD21 LEU 45 HD21 LEU 45 0.413 13.487 -6.674 317 HD22 LEU 45 HD22 LEU 45 1.118 14.324 -8.057 318 HD23 LEU 45 HD23 LEU 45 0.871 15.186 -6.540 319 H SER 46 HN SER 46 3.412 11.387 -3.527 320 HA SER 46 HA SER 46 3.190 9.262 -5.382 321 HB2 SER 46 HB2 SER 46 5.330 9.869 -4.307 322 HB3 SER 46 HB1 SER 46 4.697 9.309 -2.759 323 HG SER 46 HG SER 46 4.831 7.648 -5.055 324 H SER 47 HN SER 47 2.194 9.595 -1.995 325 HA SER 47 HA SER 47 1.463 6.916 -1.591 326 HB2 SER 47 HB2 SER 47 0.131 7.742 0.297 327 HB3 SER 47 HB1 SER 47 1.715 8.515 0.244 328 HG SER 47 HG SER 47 0.184 10.060 -1.174 329 H MET 48 HN MET 48 -0.216 9.544 -3.135 330 HA MET 48 HA MET 48 -2.761 8.219 -3.304 331 HB2 MET 48 HB2 MET 48 -2.548 10.676 -3.415 332 HB3 MET 48 HB1 MET 48 -1.649 10.523 -4.916 333 HG2 MET 48 HG2 MET 48 -3.964 11.124 -5.362 334 HG3 MET 48 HG1 MET 48 -3.584 9.521 -5.990 335 HE1 MET 48 HE1 MET 48 -6.106 10.321 -2.208 336 HE2 MET 48 HE2 MET 48 -5.451 11.580 -3.250 337 HE3 MET 48 HE3 MET 48 -4.363 10.604 -2.264 338 H VAL 49 HN VAL 49 -0.029 8.781 -5.433 339 HA VAL 49 HA VAL 49 -1.081 7.622 -7.758 340 HB VAL 49 HB VAL 49 1.775 8.012 -6.825 341 HG11 VAL 49 HG11 VAL 49 1.514 6.086 -8.450 342 HG12 VAL 49 HG12 VAL 49 2.585 7.386 -8.962 343 HG13 VAL 49 HG13 VAL 49 0.958 7.270 -9.632 344 HG21 VAL 49 HG21 VAL 49 1.797 9.811 -8.488 345 HG22 VAL 49 HG22 VAL 49 0.490 10.060 -7.332 346 HG23 VAL 49 HG23 VAL 49 0.136 9.434 -8.941 347 H ILE 50 HN ILE 50 0.968 6.174 -5.198 348 HA ILE 50 HA ILE 50 1.127 3.577 -6.102 349 HB ILE 50 HB ILE 50 0.601 4.390 -3.239 350 HG12 ILE 50 HG12 ILE 50 3.225 4.078 -4.710 351 HG13 ILE 50 HG11 ILE 50 2.512 5.602 -4.194 352 HG21 ILE 50 HG21 ILE 50 1.797 2.319 -2.678 353 HG22 ILE 50 HG22 ILE 50 1.892 1.922 -4.394 354 HG23 ILE 50 HG23 ILE 50 0.322 2.005 -3.592 355 HD11 ILE 50 HD11 ILE 50 2.753 4.970 -1.880 356 HD12 ILE 50 HD12 ILE 50 4.305 4.842 -2.707 357 HD13 ILE 50 HD13 ILE 50 3.373 3.386 -2.350 358 H GLY 51 HN GLY 51 -1.446 4.987 -4.094 359 HA2 GLY 51 HA2 GLY 51 -3.098 2.743 -3.921 360 HA3 GLY 51 HA1 GLY 51 -3.639 4.407 -3.778 361 H SER 52 HN SER 52 -2.957 5.259 -6.408 362 HA SER 52 HA SER 52 -5.220 4.338 -7.842 363 HB2 SER 52 HB2 SER 52 -2.949 5.592 -9.364 364 HB3 SER 52 HB1 SER 52 -4.668 5.894 -9.534 365 HG SER 52 HG SER 52 -4.048 6.658 -7.099 366 H ARG 53 HN ARG 53 -1.747 3.628 -8.173 367 HA ARG 53 HA ARG 53 -1.933 1.986 -10.445 368 HB2 ARG 53 HB2 ARG 53 0.093 1.778 -8.215 369 HB3 ARG 53 HB1 ARG 53 0.252 1.120 -9.841 370 HG2 ARG 53 HG2 ARG 53 -0.008 3.490 -10.673 371 HG3 ARG 53 HG1 ARG 53 0.211 3.994 -8.997 372 HD2 ARG 53 HD2 ARG 53 2.430 3.966 -9.438 373 HD3 ARG 53 HD1 ARG 53 2.288 2.204 -9.440 374 HE ARG 53 HE ARG 53 1.620 2.738 -11.951 375 HH11 ARG 53 HH11 ARG 53 4.248 4.115 -10.074 376 HH12 ARG 53 HH12 ARG 53 5.327 4.198 -11.437 377 HH21 ARG 53 HH21 ARG 53 3.027 2.860 -13.721 378 HH22 ARG 53 HH22 ARG 53 4.624 3.504 -13.516 379 H PHE 54 HN PHE 54 -2.563 1.334 -7.079 380 HA PHE 54 HA PHE 54 -2.650 -1.471 -7.106 381 HB2 PHE 54 HB2 PHE 54 -4.271 0.604 -5.616 382 HB3 PHE 54 HB1 PHE 54 -4.533 -1.118 -5.389 383 HD1 PHE 54 HD1 PHE 54 -1.266 -1.158 -5.980 384 HD2 PHE 54 HD2 PHE 54 -3.934 0.368 -3.043 385 HE1 PHE 54 HE1 PHE 54 0.555 -1.174 -4.332 386 HE2 PHE 54 HE2 PHE 54 -2.117 0.338 -1.379 387 HZ PHE 54 HZ PHE 54 0.008 -0.468 -1.897 388 H ARG 55 HN ARG 55 -4.988 0.946 -8.146 389 HA ARG 55 HA ARG 55 -6.999 -1.057 -8.712 390 HB2 ARG 55 HB2 ARG 55 -7.079 1.880 -9.410 391 HB3 ARG 55 HB1 ARG 55 -8.435 0.768 -9.304 392 HG2 ARG 55 HG2 ARG 55 -7.861 0.499 -6.859 393 HG3 ARG 55 HG1 ARG 55 -6.781 1.879 -7.055 394 HD2 ARG 55 HD2 ARG 55 -8.912 2.663 -6.242 395 HD3 ARG 55 HD1 ARG 55 -8.716 3.189 -7.917 396 HE ARG 55 HE ARG 55 -10.094 0.687 -7.680 397 HH11 ARG 55 HH11 ARG 55 -10.502 4.163 -7.621 398 HH12 ARG 55 HH12 ARG 55 -12.192 4.100 -8.029 399 HH21 ARG 55 HH21 ARG 55 -12.297 0.580 -8.239 400 HH22 ARG 55 HH22 ARG 55 -13.205 2.060 -8.393 401 H GLU 56 HN GLU 56 -4.616 0.804 -10.445 402 HA GLU 56 HA GLU 56 -5.824 0.327 -13.024 403 HB2 GLU 56 HB2 GLU 56 -3.105 1.482 -12.372 404 HB3 GLU 56 HB1 GLU 56 -3.938 1.587 -13.915 405 HG2 GLU 56 HG2 GLU 56 -4.796 2.862 -11.331 406 HG3 GLU 56 HG1 GLU 56 -4.083 3.679 -12.721 407 H ASP 57 HN ASP 57 -2.922 -0.742 -11.294 408 HA ASP 57 HA ASP 57 -2.225 -2.505 -13.509 409 HB2 ASP 57 HB2 ASP 57 -0.835 -1.621 -11.007 410 HB3 ASP 57 HB1 ASP 57 -0.277 -3.060 -11.851 411 H LEU 58 HN LEU 58 -3.221 -2.787 -10.127 412 HA LEU 58 HA LEU 58 -3.070 -5.700 -10.339 413 HB2 LEU 58 HB2 LEU 58 -3.239 -3.796 -8.033 414 HB3 LEU 58 HB1 LEU 58 -3.718 -5.468 -7.815 415 HG LEU 58 HG LEU 58 -1.471 -6.211 -8.470 416 HD11 LEU 58 HD11 LEU 58 -0.748 -3.288 -8.556 417 HD12 LEU 58 HD12 LEU 58 -0.934 -4.323 -9.970 418 HD13 LEU 58 HD13 LEU 58 0.339 -4.658 -8.796 419 HD21 LEU 58 HD21 LEU 58 -1.513 -4.136 -6.286 420 HD22 LEU 58 HD22 LEU 58 -0.275 -5.375 -6.494 421 HD23 LEU 58 HD23 LEU 58 -1.936 -5.843 -6.126 422 H GLY 59 HN GLY 59 -5.406 -3.126 -9.939 423 HA2 GLY 59 HA2 GLY 59 -7.675 -3.276 -10.530 424 HA3 GLY 59 HA1 GLY 59 -7.536 -5.028 -10.524 425 H LEU 60 HN LEU 60 -6.479 -2.953 -7.900 426 HA LEU 60 HA LEU 60 -8.251 -4.343 -6.070 427 HB2 LEU 60 HB2 LEU 60 -6.216 -2.170 -5.563 428 HB3 LEU 60 HB1 LEU 60 -7.061 -3.079 -4.326 429 HG LEU 60 HG LEU 60 -5.128 -4.243 -6.330 430 HD11 LEU 60 HD11 LEU 60 -4.806 -3.638 -3.387 431 HD12 LEU 60 HD12 LEU 60 -3.984 -2.824 -4.718 432 HD13 LEU 60 HD13 LEU 60 -3.646 -4.521 -4.378 433 HD21 LEU 60 HD21 LEU 60 -6.458 -5.498 -3.931 434 HD22 LEU 60 HD22 LEU 60 -5.321 -6.278 -5.028 435 HD23 LEU 60 HD23 LEU 60 -6.910 -5.791 -5.609 436 H ASP 61 HN ASP 61 -10.288 -3.583 -5.711 437 HA ASP 61 HA ASP 61 -10.838 -0.776 -6.306 438 HB2 ASP 61 HB2 ASP 61 -12.617 -3.184 -5.979 439 HB3 ASP 61 HB1 ASP 61 -13.266 -1.542 -5.962 440 H LEU 62 HN LEU 62 -9.416 -0.641 -4.276 441 HA LEU 62 HA LEU 62 -10.685 -1.229 -1.786 442 HB2 LEU 62 HB2 LEU 62 -8.678 -0.109 -0.877 443 HB3 LEU 62 HB1 LEU 62 -8.336 -1.444 -1.933 444 HG LEU 62 HG LEU 62 -8.172 0.557 -3.709 445 HD11 LEU 62 HD11 LEU 62 -7.256 1.779 -1.112 446 HD12 LEU 62 HD12 LEU 62 -8.652 2.296 -2.057 447 HD13 LEU 62 HD13 LEU 62 -7.025 2.464 -2.722 448 HD21 LEU 62 HD21 LEU 62 -6.493 -1.159 -3.289 449 HD22 LEU 62 HD22 LEU 62 -5.976 -0.304 -1.836 450 HD23 LEU 62 HD23 LEU 62 -5.753 0.438 -3.421 451 H GLY 63 HN GLY 63 -10.336 1.600 -3.819 452 HA2 GLY 63 HA2 GLY 63 -12.433 3.031 -3.528 453 HA3 GLY 63 HA1 GLY 63 -11.902 3.136 -1.861 454 HA PRO 64 HA PRO 64 -9.732 6.500 -4.234 455 HB2 PRO 64 HB2 PRO 64 -11.436 8.553 -4.137 456 HB3 PRO 64 HB1 PRO 64 -11.611 7.280 -5.362 457 HG2 PRO 64 HG2 PRO 64 -13.134 7.696 -2.830 458 HG3 PRO 64 HG1 PRO 64 -13.720 7.151 -4.410 459 HD2 PRO 64 HD2 PRO 64 -13.096 5.508 -2.228 460 HD3 PRO 64 HD1 PRO 64 -13.282 4.976 -3.907 461 H GLU 65 HN GLU 65 -11.260 6.125 -1.206 462 HA GLU 65 HA GLU 65 -10.438 8.619 -0.053 463 HB2 GLU 65 HB2 GLU 65 -11.749 6.152 1.054 464 HB3 GLU 65 HB1 GLU 65 -11.394 7.583 2.016 465 HG2 GLU 65 HG2 GLU 65 -13.030 7.657 -0.484 466 HG3 GLU 65 HG1 GLU 65 -13.737 7.406 1.114 467 H PHE 66 HN PHE 66 -8.997 5.582 -0.506 468 HA PHE 66 HA PHE 66 -7.522 5.543 1.971 469 HB2 PHE 66 HB2 PHE 66 -8.295 3.441 1.044 470 HB3 PHE 66 HB1 PHE 66 -7.447 3.747 -0.463 471 HD1 PHE 66 HD2 PHE 66 -6.959 3.011 3.132 472 HD2 PHE 66 HD1 PHE 66 -5.224 3.140 -0.748 473 HE1 PHE 66 HE2 PHE 66 -5.005 1.796 3.973 474 HE2 PHE 66 HE1 PHE 66 -3.266 1.913 0.084 475 HZ PHE 66 HZ PHE 66 -3.148 1.238 2.453 476 H SER 67 HN SER 67 -5.835 6.814 2.257 477 HA SER 67 HA SER 67 -3.880 7.045 0.071 478 HB2 SER 67 HB2 SER 67 -4.628 9.236 2.029 479 HB3 SER 67 HB1 SER 67 -3.427 9.356 0.742 480 HG SER 67 HG SER 67 -5.774 8.506 -0.258 481 H LEU 68 HN LEU 68 -1.914 6.350 0.623 482 HA LEU 68 HA LEU 68 -1.391 5.126 3.076 483 HB2 LEU 68 HB2 LEU 68 0.588 6.146 1.039 484 HB3 LEU 68 HB1 LEU 68 0.963 5.037 2.341 485 HG LEU 68 HG LEU 68 -0.834 4.492 -0.026 486 HD11 LEU 68 HD11 LEU 68 1.880 3.511 0.816 487 HD12 LEU 68 HD12 LEU 68 1.432 4.334 -0.684 488 HD13 LEU 68 HD13 LEU 68 0.885 2.679 -0.381 489 HD21 LEU 68 HD21 LEU 68 -0.161 2.745 2.333 490 HD22 LEU 68 HD22 LEU 68 -1.038 2.234 0.891 491 HD23 LEU 68 HD23 LEU 68 -1.738 3.444 1.969 492 H PHE 69 HN PHE 69 -0.591 8.359 1.941 493 HA PHE 69 HA PHE 69 1.266 9.081 3.911 494 HB2 PHE 69 HB2 PHE 69 0.884 10.258 1.763 495 HB3 PHE 69 HB1 PHE 69 -0.654 10.858 2.369 496 HD1 PHE 69 HD1 PHE 69 2.672 10.652 4.043 497 HD2 PHE 69 HD2 PHE 69 -0.421 13.118 2.490 498 HE1 PHE 69 HE1 PHE 69 3.822 12.637 4.937 499 HE2 PHE 69 HE2 PHE 69 0.713 15.115 3.389 500 HZ PHE 69 HZ PHE 69 2.840 14.873 4.614 501 H ILE 70 HN ILE 70 -2.004 8.383 4.333 502 HA ILE 70 HA ILE 70 -2.077 10.057 6.763 503 HB ILE 70 HB ILE 70 -4.457 9.308 5.024 504 HG12 ILE 70 HG12 ILE 70 -3.209 11.981 5.705 505 HG13 ILE 70 HG11 ILE 70 -3.123 11.180 4.144 506 HG21 ILE 70 HG21 ILE 70 -5.031 9.199 7.405 507 HG22 ILE 70 HG22 ILE 70 -5.828 10.548 6.597 508 HG23 ILE 70 HG23 ILE 70 -4.428 10.842 7.626 509 HD11 ILE 70 HD11 ILE 70 -4.769 12.957 4.118 510 HD12 ILE 70 HD12 ILE 70 -5.632 12.199 5.460 511 HD13 ILE 70 HD13 ILE 70 -5.536 11.386 3.897 512 H ASP 71 HN ASP 71 -2.908 6.918 5.336 513 HA ASP 71 HA ASP 71 -3.700 6.008 8.026 514 HB2 ASP 71 HB2 ASP 71 -5.527 5.905 6.410 515 HB3 ASP 71 HB1 ASP 71 -4.568 4.899 5.333 516 H CYS 72 HN CYS 72 -1.047 5.841 6.094 517 HA CYS 72 HA CYS 72 -0.296 3.250 7.197 518 HB2 CYS 72 HB2 CYS 72 -0.096 3.874 4.244 519 HB3 CYS 72 HB1 CYS 72 0.580 2.453 5.031 520 HG CYS 72 HG CYS 72 -2.542 2.483 5.864 521 H THR 73 HN THR 73 1.260 4.035 8.450 522 HA THR 73 HA THR 73 3.033 6.117 7.448 523 HB THR 73 HB THR 73 3.904 6.041 9.831 524 HG1 THR 73 HG1 THR 73 2.527 4.879 11.313 525 HG21 THR 73 HG21 THR 73 1.818 7.069 10.773 526 HG22 THR 73 HG22 THR 73 0.971 6.565 9.309 527 HG23 THR 73 HG23 THR 73 2.298 7.721 9.206 528 H THR 74 HN THR 74 3.085 2.720 8.278 529 HA THR 74 HA THR 74 5.913 2.625 7.470 530 HB THR 74 HB THR 74 6.080 0.485 8.679 531 HG1 THR 74 HG1 THR 74 3.897 0.706 10.233 532 HG21 THR 74 HG21 THR 74 6.689 2.565 9.832 533 HG22 THR 74 HG22 THR 74 6.005 1.387 10.954 534 HG23 THR 74 HG23 THR 74 5.024 2.739 10.388 535 H VAL 75 HN VAL 75 6.273 0.070 6.768 536 HA VAL 75 HA VAL 75 4.858 -0.024 4.262 537 HB VAL 75 HB VAL 75 6.687 -2.232 5.068 538 HG11 VAL 75 HG11 VAL 75 7.413 -2.031 2.750 539 HG12 VAL 75 HG12 VAL 75 6.351 -0.638 2.539 540 HG13 VAL 75 HG13 VAL 75 5.663 -2.230 2.869 541 HG21 VAL 75 HG21 VAL 75 7.857 -0.318 5.947 542 HG22 VAL 75 HG22 VAL 75 7.641 0.552 4.427 543 HG23 VAL 75 HG23 VAL 75 8.658 -0.890 4.486 544 H ARG 76 HN ARG 76 5.165 -2.047 7.149 545 HA ARG 76 HA ARG 76 3.542 -4.152 6.228 546 HB2 ARG 76 HB2 ARG 76 5.058 -4.411 8.120 547 HB3 ARG 76 HB1 ARG 76 4.084 -3.284 9.062 548 HG2 ARG 76 HG2 ARG 76 2.182 -4.817 8.914 549 HG3 ARG 76 HG1 ARG 76 3.165 -5.949 7.985 550 HD2 ARG 76 HD2 ARG 76 3.706 -5.028 10.795 551 HD3 ARG 76 HD1 ARG 76 2.995 -6.577 10.342 552 HE ARG 76 HE ARG 76 5.560 -6.080 9.127 553 HH11 ARG 76 HH11 ARG 76 3.900 -7.329 11.946 554 HH12 ARG 76 HH12 ARG 76 5.224 -8.332 12.454 555 HH21 ARG 76 HH21 ARG 76 7.349 -7.371 9.814 556 HH22 ARG 76 HH22 ARG 76 7.179 -8.340 11.247 557 H ALA 77 HN ALA 77 2.815 -1.088 7.723 558 HA ALA 77 HA ALA 77 0.174 -1.432 8.482 559 HB1 ALA 77 HB1 ALA 77 1.495 0.623 8.864 560 HB2 ALA 77 HB2 ALA 77 -0.095 0.958 8.181 561 HB3 ALA 77 HB3 ALA 77 1.337 1.016 7.151 562 H LEU 78 HN LEU 78 1.557 -1.111 5.285 563 HA LEU 78 HA LEU 78 -0.950 -0.836 3.906 564 HB2 LEU 78 HB2 LEU 78 1.665 -0.443 3.232 565 HB3 LEU 78 HB1 LEU 78 1.356 -1.988 2.473 566 HG LEU 78 HG LEU 78 -0.371 0.421 1.994 567 HD11 LEU 78 HD11 LEU 78 2.095 -0.496 0.530 568 HD12 LEU 78 HD12 LEU 78 1.866 1.031 1.376 569 HD13 LEU 78 HD13 LEU 78 0.951 0.693 -0.093 570 HD21 LEU 78 HD21 LEU 78 0.056 -2.128 0.445 571 HD22 LEU 78 HD22 LEU 78 -0.918 -0.756 -0.085 572 HD23 LEU 78 HD23 LEU 78 -1.391 -1.670 1.349 573 H LYS 79 HN LYS 79 1.391 -3.414 4.440 574 HA LYS 79 HA LYS 79 0.285 -5.580 3.180 575 HB2 LYS 79 HB2 LYS 79 1.400 -5.746 5.984 576 HB3 LYS 79 HB1 LYS 79 1.414 -6.992 4.733 577 HG2 LYS 79 HG2 LYS 79 2.869 -4.374 4.353 578 HG3 LYS 79 HG1 LYS 79 3.634 -5.693 5.246 579 HD2 LYS 79 HD2 LYS 79 3.149 -7.137 3.218 580 HD3 LYS 79 HD1 LYS 79 2.711 -5.649 2.375 581 HE2 LYS 79 HE2 LYS 79 4.962 -6.033 1.827 582 HE3 LYS 79 HE1 LYS 79 4.979 -4.760 3.051 583 HZ1 LYS 79 HZ1 LYS 79 5.518 -7.655 3.539 584 HZ2 LYS 79 HZ2 LYS 79 5.523 -6.447 4.724 585 HZ3 LYS 79 HZ3 LYS 79 6.678 -6.425 3.488 586 H ASP 80 HN ASP 80 -0.435 -4.447 6.453 587 HA ASP 80 HA ASP 80 -2.307 -6.337 7.226 588 HB2 ASP 80 HB2 ASP 80 -2.217 -3.402 7.946 589 HB3 ASP 80 HB1 ASP 80 -3.205 -4.597 8.771 590 H PHE 81 HN PHE 81 -2.935 -3.209 5.727 591 HA PHE 81 HA PHE 81 -5.717 -3.286 5.826 592 HB2 PHE 81 HB2 PHE 81 -4.469 -1.235 5.364 593 HB3 PHE 81 HB1 PHE 81 -3.948 -1.881 3.807 594 HD1 PHE 81 HD1 PHE 81 -6.892 -0.731 5.737 595 HD2 PHE 81 HD2 PHE 81 -5.329 -1.723 1.900 596 HE1 PHE 81 HE1 PHE 81 -8.904 0.206 4.672 597 HE2 PHE 81 HE2 PHE 81 -7.338 -0.787 0.836 598 HZ PHE 81 HZ PHE 81 -9.130 0.176 2.222 599 H MET 82 HN MET 82 -3.537 -4.603 3.410 600 HA MET 82 HA MET 82 -5.376 -4.868 1.311 601 HB2 MET 82 HB2 MET 82 -3.136 -6.806 1.762 602 HB3 MET 82 HB1 MET 82 -3.803 -6.242 0.236 603 HG2 MET 82 HG2 MET 82 -2.929 -3.951 0.826 604 HG3 MET 82 HG1 MET 82 -2.068 -4.723 2.161 605 HE1 MET 82 HE1 MET 82 -1.189 -5.058 -2.312 606 HE2 MET 82 HE2 MET 82 -1.911 -3.670 -1.495 607 HE3 MET 82 HE3 MET 82 -2.814 -5.183 -1.632 608 H LEU 83 HN LEU 83 -4.414 -7.210 3.803 609 HA LEU 83 HA LEU 83 -6.333 -9.123 2.817 610 HB2 LEU 83 HB2 LEU 83 -4.518 -9.178 5.239 611 HB3 LEU 83 HB1 LEU 83 -5.573 -10.496 4.784 612 HG LEU 83 HG LEU 83 -4.282 -10.562 2.570 613 HD11 LEU 83 HD11 LEU 83 -3.224 -8.390 2.703 614 HD12 LEU 83 HD12 LEU 83 -2.012 -9.670 2.624 615 HD13 LEU 83 HD13 LEU 83 -2.363 -8.883 4.161 616 HD21 LEU 83 HD21 LEU 83 -2.791 -11.229 5.110 617 HD22 LEU 83 HD22 LEU 83 -2.449 -11.881 3.510 618 HD23 LEU 83 HD23 LEU 83 -3.973 -12.268 4.309 619 H GLY 84 HN GLY 84 -6.154 -6.730 5.358 620 HA2 GLY 84 HA2 GLY 84 -8.339 -5.758 5.936 621 HA3 GLY 84 HA1 GLY 84 -8.974 -7.396 5.963 622 H SER 85 HN SER 85 -9.711 -7.381 8.050 623 HA SER 85 HA SER 85 -7.863 -6.645 10.189 624 HB2 SER 85 HB2 SER 85 -10.796 -7.398 10.297 625 HB3 SER 85 HB1 SER 85 -9.841 -6.753 11.630 626 HG SER 85 HG SER 85 -9.566 -5.120 9.552 627 H GLY 86 HN GLY 86 -7.273 -8.987 8.698 628 HA2 GLY 86 HA2 GLY 86 -6.548 -11.142 9.193 629 HA3 GLY 86 HA1 GLY 86 -7.282 -10.989 10.786 630 H ASP 87 HN ASP 87 -9.141 -10.222 7.997 631 HA ASP 87 HA ASP 87 -11.140 -12.138 8.629 632 HB2 ASP 87 HB2 ASP 87 -10.801 -10.334 6.224 633 HB3 ASP 87 HB1 ASP 87 -12.231 -11.313 6.531 634 H ALA 88 HN ALA 88 -10.714 -14.211 8.352 635 HA ALA 88 HA ALA 88 -10.204 -15.272 5.741 636 HB1 ALA 88 HB1 ALA 88 -7.932 -14.575 6.357 637 HB2 ALA 88 HB2 ALA 88 -8.064 -16.327 6.206 638 HB3 ALA 88 HB3 ALA 88 -8.020 -15.581 7.803 639 H GLY 89 HN GLY 89 -10.503 -15.737 9.212 640 HA2 GLY 89 HA2 GLY 89 -11.665 -18.393 8.669 641 HA3 GLY 89 HA1 GLY 89 -10.546 -18.152 10.003 642 H282 PNS 90 H28A PNS 44 -0.832 15.954 -3.891 643 H281 PNS 90 H28B PNS 44 -0.770 14.383 -3.091 644 H303 PNS 90 H30A PNS 44 -1.730 14.897 -5.916 645 H302 PNS 90 H30B PNS 44 -3.133 13.834 -5.819 646 H301 PNS 90 H30C PNS 44 -1.603 13.342 -5.094 647 H313 PNS 90 H31A PNS 44 -3.691 14.323 -2.181 648 H312 PNS 90 H31B PNS 44 -2.820 12.984 -2.927 649 H311 PNS 90 H31C PNS 44 -4.337 13.549 -3.628 650 H32 PNS 90 H32A PNS 44 -3.942 16.438 -3.318 651 H33 PNS 90 H33A PNS 44 -2.365 17.684 -4.098 652 H36 PNS 90 H36A PNS 44 -4.249 17.434 -6.247 653 H372 PNS 90 H37A PNS 44 -5.483 16.141 -8.102 654 H371 PNS 90 H37B PNS 44 -6.686 15.906 -6.833 655 H382 PNS 90 H38A PNS 44 -5.722 18.602 -7.765 656 H381 PNS 90 H38B PNS 44 -7.141 17.796 -8.419 657 H41 PNS 90 H41A PNS 44 -7.193 16.814 -5.387 658 H422 PNS 90 H42A PNS 44 -7.974 19.017 -3.811 659 H421 PNS 90 H42B PNS 44 -9.395 18.268 -4.536 660 H431 PNS 90 H43A PNS 44 -7.351 16.890 -2.800 661 H432 PNS 90 H43B PNS 44 -8.734 16.110 -3.566 662 H44 PNS 90 H1 PNS 44 -10.640 17.583 -2.130 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -14.060 -18.624 3.260 2 H2 ALA 1 HT2 ALA 1 -15.011 -17.246 3.016 3 H3 ALA 1 HT3 ALA 1 -15.744 -18.772 3.130 4 HA ALA 1 HA ALA 1 -16.054 -17.541 5.159 5 HB1 ALA 1 HB1 ALA 1 -15.189 -19.199 6.712 6 HB2 ALA 1 HB2 ALA 1 -14.081 -19.800 5.478 7 HB3 ALA 1 HB3 ALA 1 -15.822 -19.979 5.263 8 H MET 2 HN MET 2 -15.233 -16.352 6.851 9 HA MET 2 HA MET 2 -13.879 -14.906 7.944 10 HB2 MET 2 HB2 MET 2 -12.419 -16.801 8.343 11 HB3 MET 2 HB1 MET 2 -11.653 -16.577 6.776 12 HG2 MET 2 HG2 MET 2 -10.811 -14.389 7.520 13 HG3 MET 2 HG1 MET 2 -11.546 -14.660 9.099 14 HE1 MET 2 HE1 MET 2 -10.948 -17.824 9.506 15 HE2 MET 2 HE2 MET 2 -10.831 -16.571 10.741 16 HE3 MET 2 HE3 MET 2 -9.481 -17.675 10.475 17 H ALA 3 HN ALA 3 -14.493 -13.067 6.754 18 HA ALA 3 HA ALA 3 -12.365 -12.022 5.070 19 HB1 ALA 3 HB1 ALA 3 -13.892 -13.026 3.466 20 HB2 ALA 3 HB2 ALA 3 -13.939 -11.267 3.343 21 HB3 ALA 3 HB3 ALA 3 -15.244 -12.128 4.160 22 H LYS 4 HN LYS 4 -12.037 -9.923 5.392 23 HA LYS 4 HA LYS 4 -14.123 -8.145 6.278 24 HB2 LYS 4 HB2 LYS 4 -13.215 -9.204 8.369 25 HB3 LYS 4 HB1 LYS 4 -11.656 -8.485 7.986 26 HG2 LYS 4 HG2 LYS 4 -12.696 -7.076 9.567 27 HG3 LYS 4 HG1 LYS 4 -12.794 -6.254 8.009 28 HD2 LYS 4 HD2 LYS 4 -15.101 -6.993 7.744 29 HD3 LYS 4 HD1 LYS 4 -15.004 -7.880 9.266 30 HE2 LYS 4 HE2 LYS 4 -16.127 -5.860 9.752 31 HE3 LYS 4 HE1 LYS 4 -14.493 -5.680 10.383 32 HZ1 LYS 4 HZ1 LYS 4 -15.586 -4.512 7.881 33 HZ2 LYS 4 HZ2 LYS 4 -13.947 -4.454 8.301 34 HZ3 LYS 4 HZ3 LYS 4 -15.098 -3.677 9.274 35 H GLY 5 HN GLY 5 -13.858 -6.524 4.883 36 HA2 GLY 5 HA2 GLY 5 -12.692 -4.587 4.160 37 HA3 GLY 5 HA1 GLY 5 -11.174 -5.376 4.569 38 H VAL 6 HN VAL 6 -10.085 -6.444 3.020 39 HA VAL 6 HA VAL 6 -11.437 -6.829 0.440 40 HB VAL 6 HB VAL 6 -8.504 -6.269 0.823 41 HG11 VAL 6 HG11 VAL 6 -10.190 -6.409 -1.671 42 HG12 VAL 6 HG12 VAL 6 -9.012 -7.611 -1.147 43 HG13 VAL 6 HG13 VAL 6 -8.477 -5.995 -1.609 44 HG21 VAL 6 HG21 VAL 6 -9.785 -4.288 1.396 45 HG22 VAL 6 HG22 VAL 6 -10.695 -4.420 -0.108 46 HG23 VAL 6 HG23 VAL 6 -8.970 -4.056 -0.152 47 H GLY 7 HN GLY 7 -8.316 -7.865 1.780 48 HA2 GLY 7 HA2 GLY 7 -7.701 -10.055 2.416 49 HA3 GLY 7 HA1 GLY 7 -9.196 -10.657 1.708 50 H VAL 8 HN VAL 8 -5.872 -9.988 1.196 51 HA VAL 8 HA VAL 8 -6.165 -10.688 -1.651 52 HB VAL 8 HB VAL 8 -4.193 -9.476 -2.192 53 HG11 VAL 8 HG11 VAL 8 -5.769 -7.857 -0.198 54 HG12 VAL 8 HG12 VAL 8 -6.095 -8.020 -1.924 55 HG13 VAL 8 HG13 VAL 8 -4.636 -7.192 -1.373 56 HG21 VAL 8 HG21 VAL 8 -3.691 -9.193 0.769 57 HG22 VAL 8 HG22 VAL 8 -2.750 -8.404 -0.498 58 HG23 VAL 8 HG23 VAL 8 -2.761 -10.163 -0.375 59 H SER 9 HN SER 9 -4.496 -12.054 -2.562 60 HA SER 9 HA SER 9 -3.631 -14.113 -0.730 61 HB2 SER 9 HB2 SER 9 -2.844 -15.180 -2.906 62 HB3 SER 9 HB1 SER 9 -4.578 -14.878 -2.784 63 HG SER 9 HG SER 9 -4.030 -14.084 -4.738 64 H ASN 10 HN ASN 10 -1.315 -15.045 -1.518 65 HA ASN 10 HA ASN 10 0.598 -13.137 -0.612 66 HB2 ASN 10 HB2 ASN 10 0.849 -15.571 -0.212 67 HB3 ASN 10 HB1 ASN 10 1.048 -15.828 -1.941 68 HD21 ASN 10 HD21 ASN 10 2.397 -13.184 -0.053 69 HD22 ASN 10 HD22 ASN 10 4.050 -13.624 -0.280 70 H GLU 11 HN GLU 11 -0.509 -14.272 -3.688 71 HA GLU 11 HA GLU 11 1.540 -13.231 -5.319 72 HB2 GLU 11 HB2 GLU 11 -0.076 -14.855 -6.133 73 HB3 GLU 11 HB1 GLU 11 -1.391 -13.708 -5.906 74 HG2 GLU 11 HG2 GLU 11 -0.165 -12.231 -7.574 75 HG3 GLU 11 HG1 GLU 11 0.843 -13.639 -7.905 76 H LYS 12 HN LYS 12 -1.465 -11.864 -4.092 77 HA LYS 12 HA LYS 12 -1.150 -9.364 -5.445 78 HB2 LYS 12 HB2 LYS 12 -3.028 -10.473 -3.413 79 HB3 LYS 12 HB1 LYS 12 -2.959 -8.727 -3.650 80 HG2 LYS 12 HG2 LYS 12 -3.723 -8.849 -5.817 81 HG3 LYS 12 HG1 LYS 12 -3.199 -10.518 -6.021 82 HD2 LYS 12 HD2 LYS 12 -5.018 -11.336 -4.741 83 HD3 LYS 12 HD1 LYS 12 -5.442 -9.710 -4.181 84 HE2 LYS 12 HE2 LYS 12 -6.010 -9.057 -6.448 85 HE3 LYS 12 HE1 LYS 12 -5.527 -10.641 -7.044 86 HZ1 LYS 12 HZ1 LYS 12 -7.660 -10.343 -5.021 87 HZ2 LYS 12 HZ2 LYS 12 -7.352 -11.664 -6.040 88 HZ3 LYS 12 HZ3 LYS 12 -7.989 -10.225 -6.679 89 H LEU 13 HN LEU 13 -0.161 -10.668 -2.385 90 HA LEU 13 HA LEU 13 0.749 -8.152 -1.326 91 HB2 LEU 13 HB2 LEU 13 0.246 -10.232 0.027 92 HB3 LEU 13 HB1 LEU 13 1.745 -10.910 -0.581 93 HG LEU 13 HG LEU 13 2.497 -8.430 0.417 94 HD11 LEU 13 HD11 LEU 13 0.516 -9.728 2.273 95 HD12 LEU 13 HD12 LEU 13 0.368 -8.140 1.518 96 HD13 LEU 13 HD13 LEU 13 1.629 -8.436 2.717 97 HD21 LEU 13 HD21 LEU 13 3.575 -9.759 2.181 98 HD22 LEU 13 HD22 LEU 13 3.793 -10.454 0.570 99 HD23 LEU 13 HD23 LEU 13 2.616 -11.155 1.686 100 H ASP 14 HN ASP 14 1.983 -10.521 -3.526 101 HA ASP 14 HA ASP 14 4.715 -9.662 -3.373 102 HB2 ASP 14 HB2 ASP 14 3.452 -11.875 -4.377 103 HB3 ASP 14 HB1 ASP 14 3.813 -11.002 -5.845 104 H ALA 15 HN ALA 15 1.856 -8.750 -5.042 105 HA ALA 15 HA ALA 15 3.198 -7.390 -7.213 106 HB1 ALA 15 HB1 ALA 15 0.268 -7.374 -6.482 107 HB2 ALA 15 HB2 ALA 15 1.035 -8.577 -7.518 108 HB3 ALA 15 HB3 ALA 15 0.977 -6.888 -8.022 109 H VAL 16 HN VAL 16 1.868 -6.567 -4.112 110 HA VAL 16 HA VAL 16 1.543 -3.795 -4.625 111 HB VAL 16 HB VAL 16 0.262 -4.697 -2.850 112 HG11 VAL 16 HG11 VAL 16 2.844 -5.508 -1.514 113 HG12 VAL 16 HG12 VAL 16 1.687 -6.596 -2.280 114 HG13 VAL 16 HG13 VAL 16 1.224 -5.688 -0.838 115 HG21 VAL 16 HG21 VAL 16 0.897 -3.255 -0.966 116 HG22 VAL 16 HG22 VAL 16 0.994 -2.417 -2.516 117 HG23 VAL 16 HG23 VAL 16 2.469 -2.979 -1.724 118 H MET 17 HN MET 17 4.143 -5.694 -3.160 119 HA MET 17 HA MET 17 5.631 -3.531 -2.179 120 HB2 MET 17 HB2 MET 17 6.602 -6.280 -3.018 121 HB3 MET 17 HB1 MET 17 7.541 -5.106 -2.120 122 HG2 MET 17 HG2 MET 17 5.906 -5.153 -0.317 123 HG3 MET 17 HG1 MET 17 4.980 -6.353 -1.209 124 HE1 MET 17 HE1 MET 17 8.889 -6.192 -1.120 125 HE2 MET 17 HE2 MET 17 9.270 -7.185 0.287 126 HE3 MET 17 HE3 MET 17 8.482 -5.622 0.499 127 H ARG 18 HN ARG 18 5.549 -5.000 -5.377 128 HA ARG 18 HA ARG 18 7.917 -3.754 -6.312 129 HB2 ARG 18 HB2 ARG 18 7.293 -4.498 -8.498 130 HB3 ARG 18 HB1 ARG 18 6.872 -5.767 -7.353 131 HG2 ARG 18 HG2 ARG 18 4.580 -5.156 -7.423 132 HG3 ARG 18 HG1 ARG 18 4.936 -3.729 -8.402 133 HD2 ARG 18 HD2 ARG 18 5.735 -5.193 -10.203 134 HD3 ARG 18 HD1 ARG 18 5.379 -6.603 -9.208 135 HE ARG 18 HE ARG 18 3.254 -4.731 -10.036 136 HH11 ARG 18 HH11 ARG 18 4.591 -7.960 -9.881 137 HH12 ARG 18 HH12 ARG 18 3.170 -8.726 -10.526 138 HH21 ARG 18 HH21 ARG 18 1.365 -5.725 -10.895 139 HH22 ARG 18 HH22 ARG 18 1.347 -7.454 -11.110 140 H VAL 19 HN VAL 19 4.590 -2.742 -6.042 141 HA VAL 19 HA VAL 19 4.898 -0.487 -7.820 142 HB VAL 19 HB VAL 19 2.694 -1.271 -5.892 143 HG11 VAL 19 HG11 VAL 19 1.366 0.526 -6.887 144 HG12 VAL 19 HG12 VAL 19 2.764 1.035 -7.834 145 HG13 VAL 19 HG13 VAL 19 2.802 1.159 -6.080 146 HG21 VAL 19 HG21 VAL 19 2.785 -1.256 -8.915 147 HG22 VAL 19 HG22 VAL 19 1.443 -1.795 -7.909 148 HG23 VAL 19 HG23 VAL 19 2.962 -2.687 -7.896 149 H VAL 20 HN VAL 20 4.840 -1.157 -4.398 150 HA VAL 20 HA VAL 20 5.086 1.461 -3.437 151 HB VAL 20 HB VAL 20 5.823 -1.243 -2.325 152 HG11 VAL 20 HG11 VAL 20 6.408 1.410 -0.996 153 HG12 VAL 20 HG12 VAL 20 7.594 0.207 -1.503 154 HG13 VAL 20 HG13 VAL 20 6.464 -0.164 -0.199 155 HG21 VAL 20 HG21 VAL 20 3.895 0.930 -1.501 156 HG22 VAL 20 HG22 VAL 20 4.152 -0.573 -0.616 157 HG23 VAL 20 HG23 VAL 20 3.488 -0.614 -2.248 158 H SER 21 HN SER 21 7.604 -0.960 -4.265 159 HA SER 21 HA SER 21 9.823 0.551 -3.621 160 HB2 SER 21 HB2 SER 21 9.388 -1.538 -5.665 161 HB3 SER 21 HB1 SER 21 10.960 -0.803 -5.451 162 HG SER 21 HG SER 21 11.035 -1.594 -3.391 163 H GLU 22 HN GLU 22 8.118 0.458 -6.727 164 HA GLU 22 HA GLU 22 9.825 2.133 -8.156 165 HB2 GLU 22 HB2 GLU 22 6.844 1.749 -8.418 166 HB3 GLU 22 HB1 GLU 22 7.822 2.633 -9.577 167 HG2 GLU 22 HG2 GLU 22 8.245 -0.258 -8.858 168 HG3 GLU 22 HG1 GLU 22 7.314 0.301 -10.247 169 H GLU 23 HN GLU 23 7.008 2.999 -6.187 170 HA GLU 23 HA GLU 23 7.237 5.788 -6.852 171 HB2 GLU 23 HB2 GLU 23 5.446 4.283 -4.932 172 HB3 GLU 23 HB1 GLU 23 5.377 6.023 -5.125 173 HG2 GLU 23 HG2 GLU 23 4.917 3.997 -7.307 174 HG3 GLU 23 HG1 GLU 23 3.666 4.894 -6.448 175 H SER 24 HN SER 24 8.177 3.751 -4.156 176 HA SER 24 HA SER 24 8.816 5.967 -2.437 177 HB2 SER 24 HB2 SER 24 9.720 4.229 -0.925 178 HB3 SER 24 HB1 SER 24 8.076 3.872 -1.441 179 HG SER 24 HG SER 24 8.793 2.268 -2.700 180 H GLY 25 HN GLY 25 10.632 3.677 -4.420 181 HA2 GLY 25 HA2 GLY 25 12.705 4.277 -5.486 182 HA3 GLY 25 HA1 GLY 25 12.981 5.455 -4.209 183 H ILE 26 HN ILE 26 11.815 2.474 -3.063 184 HA ILE 26 HA ILE 26 14.484 1.829 -2.033 185 HB ILE 26 HB ILE 26 11.988 0.532 -1.023 186 HG12 ILE 26 HG12 ILE 26 13.006 3.176 0.058 187 HG13 ILE 26 HG11 ILE 26 11.681 3.074 -1.106 188 HG21 ILE 26 HG21 ILE 26 13.287 0.555 1.092 189 HG22 ILE 26 HG22 ILE 26 14.618 1.312 0.218 190 HG23 ILE 26 HG23 ILE 26 14.089 -0.314 -0.219 191 HD11 ILE 26 HD11 ILE 26 10.378 1.776 0.489 192 HD12 ILE 26 HD12 ILE 26 10.890 3.306 1.202 193 HD13 ILE 26 HD13 ILE 26 11.722 1.812 1.630 194 H ALA 27 HN ALA 27 15.520 0.118 -2.820 195 HA ALA 27 HA ALA 27 14.574 -1.637 -4.761 196 HB1 ALA 27 HB1 ALA 27 16.763 -2.052 -2.731 197 HB2 ALA 27 HB2 ALA 27 16.942 -1.332 -4.333 198 HB3 ALA 27 HB3 ALA 27 16.516 -3.037 -4.172 199 H LEU 28 HN LEU 28 13.759 -3.689 -4.729 200 HA LEU 28 HA LEU 28 11.849 -4.439 -2.897 201 HB2 LEU 28 HB2 LEU 28 12.603 -5.383 -5.250 202 HB3 LEU 28 HB1 LEU 28 13.513 -6.508 -4.273 203 HG LEU 28 HG LEU 28 11.542 -7.624 -4.909 204 HD11 LEU 28 HD11 LEU 28 12.109 -8.034 -2.619 205 HD12 LEU 28 HD12 LEU 28 10.353 -8.019 -2.800 206 HD13 LEU 28 HD13 LEU 28 11.182 -6.627 -2.102 207 HD21 LEU 28 HD21 LEU 28 10.284 -5.621 -5.600 208 HD22 LEU 28 HD22 LEU 28 9.902 -5.306 -3.907 209 HD23 LEU 28 HD23 LEU 28 9.314 -6.772 -4.687 210 H GLU 29 HN GLU 29 15.285 -5.283 -2.943 211 HA GLU 29 HA GLU 29 15.029 -7.205 -0.812 212 HB2 GLU 29 HB2 GLU 29 17.603 -6.006 -1.813 213 HB3 GLU 29 HB1 GLU 29 17.351 -7.577 -1.070 214 HG2 GLU 29 HG2 GLU 29 16.175 -8.358 -3.058 215 HG3 GLU 29 HG1 GLU 29 16.339 -6.761 -3.792 216 H GLU 30 HN GLU 30 15.226 -3.862 -0.898 217 HA GLU 30 HA GLU 30 16.288 -3.783 1.841 218 HB2 GLU 30 HB2 GLU 30 15.869 -1.421 0.014 219 HB3 GLU 30 HB1 GLU 30 16.748 -1.466 1.542 220 HG2 GLU 30 HG2 GLU 30 17.574 -2.622 -1.096 221 HG3 GLU 30 HG1 GLU 30 18.341 -1.327 -0.191 222 H LEU 31 HN LEU 31 13.528 -3.773 -0.005 223 HA LEU 31 HA LEU 31 11.987 -1.918 1.565 224 HB2 LEU 31 HB2 LEU 31 11.664 -2.495 -0.882 225 HB3 LEU 31 HB1 LEU 31 11.031 -4.043 -0.358 226 HG LEU 31 HG LEU 31 9.260 -2.752 0.915 227 HD11 LEU 31 HD11 LEU 31 10.152 -0.500 -0.878 228 HD12 LEU 31 HD12 LEU 31 10.524 -0.582 0.848 229 HD13 LEU 31 HD13 LEU 31 8.847 -0.480 0.307 230 HD21 LEU 31 HD21 LEU 31 7.959 -2.365 -1.122 231 HD22 LEU 31 HD22 LEU 31 8.851 -3.888 -1.181 232 HD23 LEU 31 HD23 LEU 31 9.446 -2.485 -2.071 233 H THR 32 HN THR 32 11.887 -2.543 3.630 234 HA THR 32 HA THR 32 10.942 -5.266 4.226 235 HB THR 32 HB THR 32 12.126 -5.090 6.389 236 HG1 THR 32 HG1 THR 32 13.374 -2.719 5.487 237 HG21 THR 32 HG21 THR 32 14.474 -5.057 5.589 238 HG22 THR 32 HG22 THR 32 13.917 -4.442 4.033 239 HG23 THR 32 HG23 THR 32 13.436 -6.052 4.573 240 H ASP 33 HN ASP 33 9.608 -5.381 6.247 241 HA ASP 33 HA ASP 33 7.600 -3.344 6.147 242 HB2 ASP 33 HB2 ASP 33 7.907 -5.773 7.906 243 HB3 ASP 33 HB1 ASP 33 6.515 -4.695 7.966 244 H ASP 34 HN ASP 34 10.508 -3.436 7.631 245 HA ASP 34 HA ASP 34 9.844 -2.070 10.081 246 HB2 ASP 34 HB2 ASP 34 11.815 -3.470 10.031 247 HB3 ASP 34 HB1 ASP 34 12.465 -2.587 8.654 248 H SER 35 HN SER 35 10.339 -1.223 6.807 249 HA SER 35 HA SER 35 11.299 1.460 7.190 250 HB2 SER 35 HB2 SER 35 9.917 0.215 4.793 251 HB3 SER 35 HB1 SER 35 10.814 1.733 4.797 252 HG SER 35 HG SER 35 12.667 0.469 5.464 253 H ASN 36 HN ASN 36 10.189 3.367 6.647 254 HA ASN 36 HA ASN 36 7.323 3.296 7.345 255 HB2 ASN 36 HB2 ASN 36 8.893 4.111 9.185 256 HB3 ASN 36 HB1 ASN 36 9.302 5.445 8.122 257 HD21 ASN 36 HD21 ASN 36 6.870 4.139 10.252 258 HD22 ASN 36 HD22 ASN 36 5.841 5.522 10.215 259 H PHE 37 HN PHE 37 6.070 4.276 5.860 260 HA PHE 37 HA PHE 37 7.090 5.128 3.409 261 HB2 PHE 37 HB2 PHE 37 4.398 5.480 4.705 262 HB3 PHE 37 HB1 PHE 37 4.745 6.180 3.124 263 HD1 PHE 37 HD1 PHE 37 6.164 4.342 1.627 264 HD2 PHE 37 HD2 PHE 37 3.180 3.509 4.547 265 HE1 PHE 37 HE1 PHE 37 5.697 2.200 0.531 266 HE2 PHE 37 HE2 PHE 37 2.710 1.352 3.450 267 HZ PHE 37 HZ PHE 37 3.965 0.703 1.436 268 H ALA 38 HN ALA 38 5.790 7.090 6.077 269 HA ALA 38 HA ALA 38 6.277 9.579 4.787 270 HB1 ALA 38 HB1 ALA 38 5.661 10.568 6.889 271 HB2 ALA 38 HB2 ALA 38 5.900 9.030 7.719 272 HB3 ALA 38 HB3 ALA 38 4.588 9.207 6.556 273 H ASP 39 HN ASP 39 8.213 7.446 6.673 274 HA ASP 39 HA ASP 39 10.236 9.412 7.296 275 HB2 ASP 39 HB2 ASP 39 9.675 7.364 8.713 276 HB3 ASP 39 HB1 ASP 39 10.533 6.414 7.504 277 H MET 40 HN MET 40 9.427 7.483 4.630 278 HA MET 40 HA MET 40 12.190 7.444 3.665 279 HB2 MET 40 HB2 MET 40 9.763 5.872 2.907 280 HB3 MET 40 HB1 MET 40 11.130 5.999 1.804 281 HG2 MET 40 HG2 MET 40 11.293 5.038 4.634 282 HG3 MET 40 HG1 MET 40 11.220 3.984 3.218 283 HE1 MET 40 HE1 MET 40 13.221 4.178 1.231 284 HE2 MET 40 HE2 MET 40 14.617 5.240 1.437 285 HE3 MET 40 HE3 MET 40 13.002 5.926 1.258 286 H GLY 41 HN GLY 41 9.637 9.464 3.524 287 HA2 GLY 41 HA2 GLY 41 9.691 11.484 2.260 288 HA3 GLY 41 HA1 GLY 41 10.765 10.699 1.112 289 H ILE 42 HN ILE 42 7.873 9.052 2.088 290 HA ILE 42 HA ILE 42 6.824 9.107 -0.570 291 HB ILE 42 HB ILE 42 5.617 8.159 2.046 292 HG12 ILE 42 HG12 ILE 42 7.600 6.941 1.019 293 HG13 ILE 42 HG11 ILE 42 6.161 5.964 1.297 294 HG21 ILE 42 HG21 ILE 42 3.874 7.066 0.692 295 HG22 ILE 42 HG22 ILE 42 4.488 7.894 -0.741 296 HG23 ILE 42 HG23 ILE 42 3.800 8.826 0.589 297 HD11 ILE 42 HD11 ILE 42 5.583 6.144 -1.063 298 HD12 ILE 42 HD12 ILE 42 7.193 5.458 -0.844 299 HD13 ILE 42 HD13 ILE 42 7.012 7.141 -1.342 300 H ASP 43 HN ASP 43 6.091 10.897 -1.408 301 HA ASP 43 HA ASP 43 4.971 13.072 0.122 302 HB2 ASP 43 HB2 ASP 43 5.889 12.615 -2.607 303 HB3 ASP 43 HB1 ASP 43 4.326 13.425 -2.609 304 H SER 44 HN SER 44 2.824 13.926 -0.166 305 HA SER 44 HA SER 44 0.676 12.166 -0.126 306 HB2 SER 44 HB2 SER 44 0.079 14.245 0.664 307 HB3 SER 44 HB1 SER 44 1.009 15.098 -0.566 308 H LEU 45 HN LEU 45 2.146 13.899 -2.807 309 HA LEU 45 HA LEU 45 0.469 13.105 -4.885 310 HB2 LEU 45 HB2 LEU 45 2.418 14.758 -4.932 311 HB3 LEU 45 HB1 LEU 45 3.481 13.370 -5.068 312 HG LEU 45 HG LEU 45 2.938 14.615 -7.206 313 HD11 LEU 45 HD11 LEU 45 3.935 12.401 -7.238 314 HD12 LEU 45 HD12 LEU 45 2.775 12.580 -8.554 315 HD13 LEU 45 HD13 LEU 45 2.339 11.662 -7.112 316 HD21 LEU 45 HD21 LEU 45 0.295 13.200 -6.885 317 HD22 LEU 45 HD22 LEU 45 0.835 14.080 -8.315 318 HD23 LEU 45 HD23 LEU 45 0.552 14.943 -6.805 319 H SER 46 HN SER 46 3.412 11.483 -3.652 320 HA SER 46 HA SER 46 3.207 9.320 -5.467 321 HB2 SER 46 HB2 SER 46 5.340 9.979 -4.420 322 HB3 SER 46 HB1 SER 46 4.726 9.444 -2.856 323 HG SER 46 HG SER 46 4.931 7.756 -5.134 324 H SER 47 HN SER 47 2.197 9.718 -2.093 325 HA SER 47 HA SER 47 1.513 7.038 -1.621 326 HB2 SER 47 HB2 SER 47 0.045 7.998 0.185 327 HB3 SER 47 HB1 SER 47 1.718 8.556 0.222 328 HG SER 47 HG SER 47 -0.620 9.950 -0.418 329 H MET 48 HN MET 48 -0.251 9.662 -3.112 330 HA MET 48 HA MET 48 -2.763 8.305 -3.231 331 HB2 MET 48 HB2 MET 48 -2.425 10.816 -3.419 332 HB3 MET 48 HB1 MET 48 -1.772 10.543 -5.019 333 HG2 MET 48 HG2 MET 48 -4.009 9.399 -5.530 334 HG3 MET 48 HG1 MET 48 -4.604 10.207 -4.079 335 HE1 MET 48 HE1 MET 48 -2.998 12.415 -7.794 336 HE2 MET 48 HE2 MET 48 -3.202 10.666 -7.715 337 HE3 MET 48 HE3 MET 48 -1.976 11.457 -6.722 338 H VAL 49 HN VAL 49 0.038 8.597 -5.272 339 HA VAL 49 HA VAL 49 -1.138 7.465 -7.598 340 HB VAL 49 HB VAL 49 1.731 7.949 -6.755 341 HG11 VAL 49 HG11 VAL 49 1.695 5.982 -8.199 342 HG12 VAL 49 HG12 VAL 49 2.411 7.361 -9.031 343 HG13 VAL 49 HG13 VAL 49 0.759 6.869 -9.404 344 HG21 VAL 49 HG21 VAL 49 0.032 9.230 -8.905 345 HG22 VAL 49 HG22 VAL 49 1.677 9.682 -8.460 346 HG23 VAL 49 HG23 VAL 49 0.355 9.924 -7.316 347 H ILE 50 HN ILE 50 0.863 6.191 -4.946 348 HA ILE 50 HA ILE 50 1.186 3.592 -5.833 349 HB ILE 50 HB ILE 50 0.699 4.435 -2.967 350 HG12 ILE 50 HG12 ILE 50 3.294 4.177 -4.515 351 HG13 ILE 50 HG11 ILE 50 2.546 5.692 -4.028 352 HG21 ILE 50 HG21 ILE 50 1.954 2.412 -2.400 353 HG22 ILE 50 HG22 ILE 50 2.074 2.009 -4.114 354 HG23 ILE 50 HG23 ILE 50 0.499 2.033 -3.323 355 HD11 ILE 50 HD11 ILE 50 3.598 3.574 -2.167 356 HD12 ILE 50 HD12 ILE 50 2.866 5.104 -1.688 357 HD13 ILE 50 HD13 ILE 50 4.394 5.098 -2.567 358 H GLY 51 HN GLY 51 -1.428 4.833 -3.736 359 HA2 GLY 51 HA2 GLY 51 -2.961 2.466 -3.723 360 HA3 GLY 51 HA1 GLY 51 -3.561 4.076 -3.354 361 H SER 52 HN SER 52 -2.786 5.127 -5.987 362 HA SER 52 HA SER 52 -5.101 4.475 -7.459 363 HB2 SER 52 HB2 SER 52 -2.955 6.366 -7.586 364 HB3 SER 52 HB1 SER 52 -3.257 5.714 -9.192 365 HG SER 52 HG SER 52 -4.849 7.299 -7.556 366 H ARG 53 HN ARG 53 -1.673 3.572 -7.788 367 HA ARG 53 HA ARG 53 -2.048 2.117 -10.195 368 HB2 ARG 53 HB2 ARG 53 0.142 1.798 -8.146 369 HB3 ARG 53 HB1 ARG 53 0.161 1.142 -9.775 370 HG2 ARG 53 HG2 ARG 53 -0.132 3.643 -10.466 371 HG3 ARG 53 HG1 ARG 53 0.510 3.946 -8.852 372 HD2 ARG 53 HD2 ARG 53 2.505 3.796 -9.937 373 HD3 ARG 53 HD1 ARG 53 2.224 2.082 -9.628 374 HE ARG 53 HE ARG 53 1.087 2.818 -12.136 375 HH11 ARG 53 HH11 ARG 53 4.185 2.264 -10.587 376 HH12 ARG 53 HH12 ARG 53 4.935 1.612 -12.010 377 HH21 ARG 53 HH21 ARG 53 2.053 1.926 -14.004 378 HH22 ARG 53 HH22 ARG 53 3.715 1.408 -13.951 379 H PHE 54 HN PHE 54 -2.534 1.366 -6.848 380 HA PHE 54 HA PHE 54 -2.659 -1.436 -6.965 381 HB2 PHE 54 HB2 PHE 54 -4.296 0.583 -5.413 382 HB3 PHE 54 HB1 PHE 54 -4.511 -1.152 -5.234 383 HD1 PHE 54 HD1 PHE 54 -1.211 -0.922 -5.888 384 HD2 PHE 54 HD2 PHE 54 -3.969 0.105 -2.822 385 HE1 PHE 54 HE1 PHE 54 0.608 -0.975 -4.238 386 HE2 PHE 54 HE2 PHE 54 -2.156 0.047 -1.160 387 HZ PHE 54 HZ PHE 54 0.068 -0.472 -1.799 388 H ARG 55 HN ARG 55 -4.987 1.057 -7.842 389 HA ARG 55 HA ARG 55 -6.998 -0.846 -8.662 390 HB2 ARG 55 HB2 ARG 55 -6.888 2.110 -9.256 391 HB3 ARG 55 HB1 ARG 55 -8.307 1.074 -9.237 392 HG2 ARG 55 HG2 ARG 55 -8.031 0.770 -6.818 393 HG3 ARG 55 HG1 ARG 55 -6.641 1.862 -6.854 394 HD2 ARG 55 HD2 ARG 55 -8.606 3.076 -6.145 395 HD3 ARG 55 HD1 ARG 55 -8.115 3.638 -7.740 396 HE ARG 55 HE ARG 55 -9.949 1.747 -8.323 397 HH11 ARG 55 HH11 ARG 55 -10.012 4.516 -6.172 398 HH12 ARG 55 HH12 ARG 55 -11.727 4.745 -6.325 399 HH21 ARG 55 HH21 ARG 55 -12.184 2.052 -8.523 400 HH22 ARG 55 HH22 ARG 55 -12.966 3.347 -7.658 401 H GLU 56 HN GLU 56 -4.360 0.855 -10.088 402 HA GLU 56 HA GLU 56 -5.260 0.721 -12.807 403 HB2 GLU 56 HB2 GLU 56 -3.813 2.529 -12.213 404 HB3 GLU 56 HB1 GLU 56 -2.648 1.439 -11.478 405 HG2 GLU 56 HG2 GLU 56 -2.048 0.565 -13.643 406 HG3 GLU 56 HG1 GLU 56 -3.266 1.577 -14.415 407 H ASP 57 HN ASP 57 -2.533 -0.818 -11.117 408 HA ASP 57 HA ASP 57 -2.144 -2.587 -13.384 409 HB2 ASP 57 HB2 ASP 57 -0.206 -1.501 -12.358 410 HB3 ASP 57 HB1 ASP 57 -0.575 -2.269 -10.818 411 H LEU 58 HN LEU 58 -3.036 -2.810 -9.985 412 HA LEU 58 HA LEU 58 -3.123 -5.716 -10.131 413 HB2 LEU 58 HB2 LEU 58 -3.359 -3.740 -7.879 414 HB3 LEU 58 HB1 LEU 58 -3.809 -5.418 -7.653 415 HG LEU 58 HG LEU 58 -1.535 -6.131 -8.176 416 HD11 LEU 58 HD11 LEU 58 -0.871 -3.203 -8.409 417 HD12 LEU 58 HD12 LEU 58 -0.973 -4.336 -9.755 418 HD13 LEU 58 HD13 LEU 58 0.262 -4.550 -8.517 419 HD21 LEU 58 HD21 LEU 58 -0.422 -5.241 -6.204 420 HD22 LEU 58 HD22 LEU 58 -2.116 -5.592 -5.859 421 HD23 LEU 58 HD23 LEU 58 -1.595 -3.926 -6.120 422 H GLY 59 HN GLY 59 -5.321 -3.002 -9.625 423 HA2 GLY 59 HA2 GLY 59 -7.562 -2.978 -10.402 424 HA3 GLY 59 HA1 GLY 59 -7.553 -4.736 -10.399 425 H LEU 60 HN LEU 60 -6.342 -2.908 -7.693 426 HA LEU 60 HA LEU 60 -8.245 -4.171 -5.931 427 HB2 LEU 60 HB2 LEU 60 -6.213 -2.035 -5.297 428 HB3 LEU 60 HB1 LEU 60 -7.006 -3.098 -4.153 429 HG LEU 60 HG LEU 60 -4.967 -3.895 -6.232 430 HD11 LEU 60 HD11 LEU 60 -4.836 -3.801 -3.221 431 HD12 LEU 60 HD12 LEU 60 -4.006 -2.721 -4.339 432 HD13 LEU 60 HD13 LEU 60 -3.575 -4.430 -4.282 433 HD21 LEU 60 HD21 LEU 60 -6.619 -5.657 -5.952 434 HD22 LEU 60 HD22 LEU 60 -6.408 -5.593 -4.201 435 HD23 LEU 60 HD23 LEU 60 -5.076 -6.115 -5.234 436 H ASP 61 HN ASP 61 -10.305 -3.324 -5.903 437 HA ASP 61 HA ASP 61 -10.666 -0.491 -6.342 438 HB2 ASP 61 HB2 ASP 61 -13.112 -0.991 -6.204 439 HB3 ASP 61 HB1 ASP 61 -12.264 -1.874 -7.470 440 H LEU 62 HN LEU 62 -9.547 0.184 -4.530 441 HA LEU 62 HA LEU 62 -10.462 -0.441 -1.869 442 HB2 LEU 62 HB2 LEU 62 -8.491 1.642 -2.798 443 HB3 LEU 62 HB1 LEU 62 -8.647 1.015 -1.171 444 HG LEU 62 HG LEU 62 -7.903 -0.764 -3.472 445 HD11 LEU 62 HD11 LEU 62 -6.036 0.812 -1.722 446 HD12 LEU 62 HD12 LEU 62 -6.348 1.127 -3.427 447 HD13 LEU 62 HD13 LEU 62 -5.577 -0.382 -2.934 448 HD21 LEU 62 HD21 LEU 62 -7.439 -0.893 -0.498 449 HD22 LEU 62 HD22 LEU 62 -6.843 -2.062 -1.676 450 HD23 LEU 62 HD23 LEU 62 -8.580 -1.870 -1.422 451 H GLY 63 HN GLY 63 -9.863 2.700 -3.382 452 HA2 GLY 63 HA2 GLY 63 -12.392 3.839 -3.062 453 HA3 GLY 63 HA1 GLY 63 -11.448 4.142 -1.606 454 HA PRO 64 HA PRO 64 -10.105 6.995 -5.130 455 HB2 PRO 64 HB2 PRO 64 -11.796 9.102 -4.962 456 HB3 PRO 64 HB1 PRO 64 -12.104 7.695 -6.001 457 HG2 PRO 64 HG2 PRO 64 -13.264 8.390 -3.355 458 HG3 PRO 64 HG1 PRO 64 -14.031 7.599 -4.738 459 HD2 PRO 64 HD2 PRO 64 -13.096 6.312 -2.471 460 HD3 PRO 64 HD1 PRO 64 -13.381 5.533 -4.045 461 H GLU 65 HN GLU 65 -11.148 7.663 -1.824 462 HA GLU 65 HA GLU 65 -9.279 9.925 -1.666 463 HB2 GLU 65 HB2 GLU 65 -11.230 8.956 0.429 464 HB3 GLU 65 HB1 GLU 65 -10.312 10.454 0.462 465 HG2 GLU 65 HG2 GLU 65 -12.374 11.184 -0.191 466 HG3 GLU 65 HG1 GLU 65 -11.589 10.954 -1.751 467 H PHE 66 HN PHE 66 -8.409 7.108 -1.803 468 HA PHE 66 HA PHE 66 -7.402 6.602 0.883 469 HB2 PHE 66 HB2 PHE 66 -8.374 4.752 -0.468 470 HB3 PHE 66 HB1 PHE 66 -7.084 4.959 -1.643 471 HD1 PHE 66 HD2 PHE 66 -7.879 3.897 1.779 472 HD2 PHE 66 HD1 PHE 66 -4.908 4.070 -1.265 473 HE1 PHE 66 HE2 PHE 66 -6.482 2.337 3.057 474 HE2 PHE 66 HE1 PHE 66 -3.507 2.508 0.011 475 HZ PHE 66 HZ PHE 66 -4.297 1.583 2.119 476 H SER 67 HN SER 67 -5.576 7.631 1.452 477 HA SER 67 HA SER 67 -3.377 7.663 -0.503 478 HB2 SER 67 HB2 SER 67 -4.370 9.932 -0.405 479 HB3 SER 67 HB1 SER 67 -4.090 9.968 1.337 480 HG SER 67 HG SER 67 -2.457 10.964 -0.209 481 H LEU 68 HN LEU 68 -1.612 6.746 0.273 482 HA LEU 68 HA LEU 68 -1.500 5.576 2.819 483 HB2 LEU 68 HB2 LEU 68 0.805 6.198 0.989 484 HB3 LEU 68 HB1 LEU 68 0.805 5.028 2.289 485 HG LEU 68 HG LEU 68 -0.799 4.862 -0.259 486 HD11 LEU 68 HD11 LEU 68 1.452 4.385 -0.734 487 HD12 LEU 68 HD12 LEU 68 0.662 2.818 -0.527 488 HD13 LEU 68 HD13 LEU 68 1.658 3.484 0.769 489 HD21 LEU 68 HD21 LEU 68 -1.418 2.629 0.546 490 HD22 LEU 68 HD22 LEU 68 -2.028 3.907 1.600 491 HD23 LEU 68 HD23 LEU 68 -0.612 2.972 2.078 492 H PHE 69 HN PHE 69 -0.841 8.755 1.844 493 HA PHE 69 HA PHE 69 1.194 9.391 3.734 494 HB2 PHE 69 HB2 PHE 69 0.740 10.583 1.559 495 HB3 PHE 69 HB1 PHE 69 -0.707 11.262 2.295 496 HD1 PHE 69 HD1 PHE 69 2.620 10.763 3.816 497 HD2 PHE 69 HD2 PHE 69 -0.249 13.537 2.356 498 HE1 PHE 69 HE1 PHE 69 3.974 12.626 4.709 499 HE2 PHE 69 HE2 PHE 69 1.087 15.404 3.235 500 HZ PHE 69 HZ PHE 69 3.176 14.983 4.387 501 H ILE 70 HN ILE 70 -2.167 8.925 3.950 502 HA ILE 70 HA ILE 70 -2.175 10.163 6.627 503 HB ILE 70 HB ILE 70 -4.463 10.282 4.622 504 HG12 ILE 70 HG12 ILE 70 -2.751 12.450 5.871 505 HG13 ILE 70 HG11 ILE 70 -2.660 11.910 4.200 506 HG21 ILE 70 HG21 ILE 70 -5.684 11.519 6.331 507 HG22 ILE 70 HG22 ILE 70 -4.356 11.296 7.469 508 HG23 ILE 70 HG23 ILE 70 -5.276 9.901 6.905 509 HD11 ILE 70 HD11 ILE 70 -5.048 13.225 5.476 510 HD12 ILE 70 HD12 ILE 70 -4.910 12.723 3.791 511 HD13 ILE 70 HD13 ILE 70 -3.881 14.014 4.413 512 H ASP 71 HN ASP 71 -3.369 7.635 4.491 513 HA ASP 71 HA ASP 71 -4.896 6.397 6.635 514 HB2 ASP 71 HB2 ASP 71 -4.578 5.618 3.722 515 HB3 ASP 71 HB1 ASP 71 -5.655 4.843 4.868 516 H CYS 72 HN CYS 72 -1.733 6.393 6.111 517 HA CYS 72 HA CYS 72 -1.304 3.737 7.095 518 HB2 CYS 72 HB2 CYS 72 -0.425 4.455 4.293 519 HB3 CYS 72 HB1 CYS 72 0.291 3.139 5.214 520 HG CYS 72 HG CYS 72 -3.001 2.852 5.165 521 H THR 73 HN THR 73 1.018 3.372 7.546 522 HA THR 73 HA THR 73 2.572 5.861 7.678 523 HB THR 73 HB THR 73 3.217 5.341 9.995 524 HG1 THR 73 HG1 THR 73 1.418 3.655 10.832 525 HG21 THR 73 HG21 THR 73 0.257 5.493 9.446 526 HG22 THR 73 HG22 THR 73 1.368 6.846 9.685 527 HG23 THR 73 HG23 THR 73 0.976 5.775 11.034 528 H THR 74 HN THR 74 3.115 2.530 8.897 529 HA THR 74 HA THR 74 5.701 2.479 7.583 530 HB THR 74 HB THR 74 6.030 0.314 8.667 531 HG1 THR 74 HG1 THR 74 4.207 -0.328 10.146 532 HG21 THR 74 HG21 THR 74 4.793 2.352 10.523 533 HG22 THR 74 HG22 THR 74 6.474 2.297 9.999 534 HG23 THR 74 HG23 THR 74 5.832 1.014 11.022 535 H VAL 75 HN VAL 75 6.117 0.021 6.610 536 HA VAL 75 HA VAL 75 4.540 0.081 4.193 537 HB VAL 75 HB VAL 75 6.340 -2.205 4.555 538 HG11 VAL 75 HG11 VAL 75 7.174 -1.462 2.353 539 HG12 VAL 75 HG12 VAL 75 6.120 -0.055 2.462 540 HG13 VAL 75 HG13 VAL 75 5.421 -1.673 2.390 541 HG21 VAL 75 HG21 VAL 75 7.627 -0.715 5.871 542 HG22 VAL 75 HG22 VAL 75 7.419 0.588 4.702 543 HG23 VAL 75 HG23 VAL 75 8.395 -0.822 4.287 544 H ARG 76 HN ARG 76 5.120 -2.022 6.918 545 HA ARG 76 HA ARG 76 3.547 -4.200 6.231 546 HB2 ARG 76 HB2 ARG 76 5.190 -4.038 8.109 547 HB3 ARG 76 HB1 ARG 76 3.982 -3.129 9.012 548 HG2 ARG 76 HG2 ARG 76 3.894 -5.385 9.737 549 HG3 ARG 76 HG1 ARG 76 2.459 -5.078 8.756 550 HD2 ARG 76 HD2 ARG 76 3.419 -6.192 6.875 551 HD3 ARG 76 HD1 ARG 76 4.971 -6.346 7.696 552 HE ARG 76 HE ARG 76 2.735 -7.631 9.017 553 HH11 ARG 76 HH11 ARG 76 5.435 -7.972 6.809 554 HH12 ARG 76 HH12 ARG 76 5.529 -9.700 6.994 555 HH21 ARG 76 HH21 ARG 76 2.869 -9.898 9.272 556 HH22 ARG 76 HH22 ARG 76 4.070 -10.792 8.385 557 H ALA 77 HN ALA 77 2.692 -1.078 7.561 558 HA ALA 77 HA ALA 77 0.095 -1.654 8.461 559 HB1 ALA 77 HB1 ALA 77 1.148 0.934 7.313 560 HB2 ALA 77 HB2 ALA 77 1.235 0.438 9.003 561 HB3 ALA 77 HB3 ALA 77 -0.331 0.748 8.254 562 H LEU 78 HN LEU 78 1.372 -0.959 5.269 563 HA LEU 78 HA LEU 78 -1.163 -0.760 3.961 564 HB2 LEU 78 HB2 LEU 78 1.399 -0.187 3.252 565 HB3 LEU 78 HB1 LEU 78 1.186 -1.720 2.439 566 HG LEU 78 HG LEU 78 -0.653 0.630 2.075 567 HD11 LEU 78 HD11 LEU 78 1.760 -0.219 0.481 568 HD12 LEU 78 HD12 LEU 78 1.542 1.294 1.357 569 HD13 LEU 78 HD13 LEU 78 0.563 0.952 -0.068 570 HD21 LEU 78 HD21 LEU 78 -0.245 -1.867 0.447 571 HD22 LEU 78 HD22 LEU 78 -1.287 -0.510 0.024 572 HD23 LEU 78 HD23 LEU 78 -1.646 -1.482 1.453 573 H LYS 79 HN LYS 79 1.308 -3.243 4.238 574 HA LYS 79 HA LYS 79 0.269 -5.381 2.879 575 HB2 LYS 79 HB2 LYS 79 1.624 -5.559 5.564 576 HB3 LYS 79 HB1 LYS 79 1.641 -6.764 4.281 577 HG2 LYS 79 HG2 LYS 79 2.759 -4.025 3.824 578 HG3 LYS 79 HG1 LYS 79 3.720 -5.259 4.627 579 HD2 LYS 79 HD2 LYS 79 3.303 -6.747 2.672 580 HD3 LYS 79 HD1 LYS 79 2.514 -5.382 1.876 581 HE2 LYS 79 HE2 LYS 79 4.761 -5.441 1.081 582 HE3 LYS 79 HE1 LYS 79 4.633 -4.082 2.205 583 HZ1 LYS 79 HZ1 LYS 79 5.619 -5.474 3.939 584 HZ2 LYS 79 HZ2 LYS 79 6.650 -5.337 2.604 585 HZ3 LYS 79 HZ3 LYS 79 5.767 -6.757 2.840 586 H ASP 80 HN ASP 80 -0.186 -4.745 6.344 587 HA ASP 80 HA ASP 80 -1.867 -6.925 6.850 588 HB2 ASP 80 HB2 ASP 80 -0.643 -5.694 8.597 589 HB3 ASP 80 HB1 ASP 80 -1.687 -4.298 8.338 590 H PHE 81 HN PHE 81 -2.594 -3.643 5.891 591 HA PHE 81 HA PHE 81 -5.374 -3.692 6.288 592 HB2 PHE 81 HB2 PHE 81 -4.132 -1.607 5.915 593 HB3 PHE 81 HB1 PHE 81 -3.752 -2.111 4.270 594 HD1 PHE 81 HD1 PHE 81 -6.521 -1.147 6.529 595 HD2 PHE 81 HD2 PHE 81 -5.264 -1.737 2.502 596 HE1 PHE 81 HE1 PHE 81 -8.578 -0.060 5.729 597 HE2 PHE 81 HE2 PHE 81 -7.321 -0.650 1.699 598 HZ PHE 81 HZ PHE 81 -9.000 0.139 3.303 599 H MET 82 HN MET 82 -3.370 -4.677 3.584 600 HA MET 82 HA MET 82 -5.357 -4.998 1.645 601 HB2 MET 82 HB2 MET 82 -2.957 -6.784 1.849 602 HB3 MET 82 HB1 MET 82 -3.795 -6.253 0.399 603 HG2 MET 82 HG2 MET 82 -3.025 -3.956 0.796 604 HG3 MET 82 HG1 MET 82 -2.144 -4.518 2.222 605 HE1 MET 82 HE1 MET 82 -1.865 -3.657 -1.422 606 HE2 MET 82 HE2 MET 82 -2.681 -5.220 -1.566 607 HE3 MET 82 HE3 MET 82 -1.034 -5.032 -2.164 608 H LEU 83 HN LEU 83 -3.993 -7.450 3.856 609 HA LEU 83 HA LEU 83 -5.842 -9.442 2.955 610 HB2 LEU 83 HB2 LEU 83 -3.971 -9.395 5.332 611 HB3 LEU 83 HB1 LEU 83 -4.955 -10.777 4.901 612 HG LEU 83 HG LEU 83 -3.720 -10.781 2.663 613 HD11 LEU 83 HD11 LEU 83 -1.858 -8.962 4.181 614 HD12 LEU 83 HD12 LEU 83 -2.801 -8.537 2.751 615 HD13 LEU 83 HD13 LEU 83 -1.517 -9.737 2.634 616 HD21 LEU 83 HD21 LEU 83 -1.815 -12.001 3.564 617 HD22 LEU 83 HD22 LEU 83 -3.277 -12.409 4.464 618 HD23 LEU 83 HD23 LEU 83 -2.094 -11.298 5.158 619 H GLY 84 HN GLY 84 -5.576 -7.369 5.808 620 HA2 GLY 84 HA2 GLY 84 -7.795 -6.529 6.586 621 HA3 GLY 84 HA1 GLY 84 -8.326 -8.204 6.511 622 H SER 85 HN SER 85 -7.570 -5.905 8.580 623 HA SER 85 HA SER 85 -5.823 -7.249 10.411 624 HB2 SER 85 HB2 SER 85 -7.658 -4.919 10.981 625 HB3 SER 85 HB1 SER 85 -6.156 -5.336 11.806 626 HG SER 85 HG SER 85 -5.060 -4.917 9.799 627 H GLY 86 HN GLY 86 -7.961 -8.938 9.771 628 HA2 GLY 86 HA2 GLY 86 -10.000 -8.860 11.783 629 HA3 GLY 86 HA1 GLY 86 -9.660 -10.194 10.691 630 H ASP 87 HN ASP 87 -7.350 -11.173 11.219 631 HA ASP 87 HA ASP 87 -6.679 -11.213 14.016 632 HB2 ASP 87 HB2 ASP 87 -8.541 -12.796 14.042 633 HB3 ASP 87 HB1 ASP 87 -7.814 -13.698 12.716 634 H ALA 88 HN ALA 88 -4.561 -11.122 13.948 635 HA ALA 88 HA ALA 88 -3.129 -13.051 12.268 636 HB1 ALA 88 HB1 ALA 88 -2.389 -10.128 12.422 637 HB2 ALA 88 HB2 ALA 88 -3.161 -10.908 11.042 638 HB3 ALA 88 HB3 ALA 88 -1.533 -11.382 11.527 639 H GLY 89 HN GLY 89 -2.349 -10.360 14.459 640 HA2 GLY 89 HA2 GLY 89 -1.559 -10.646 16.688 641 HA3 GLY 89 HA1 GLY 89 -1.071 -12.281 16.268 642 H282 PNS 90 H28A PNS 44 -1.807 14.328 -3.198 643 H281 PNS 90 H28B PNS 44 -3.195 13.252 -3.397 644 H303 PNS 90 H30A PNS 44 -2.006 16.709 -3.699 645 H302 PNS 90 H30B PNS 44 -3.373 16.802 -2.588 646 H301 PNS 90 H30C PNS 44 -3.537 17.394 -4.242 647 H313 PNS 90 H31A PNS 44 -3.378 14.021 -5.806 648 H312 PNS 90 H31B PNS 44 -1.967 15.034 -5.510 649 H311 PNS 90 H31C PNS 44 -3.443 15.749 -6.155 650 H32 PNS 90 H32A PNS 44 -5.391 14.197 -4.395 651 H33 PNS 90 H33A PNS 44 -4.781 14.979 -2.048 652 H36 PNS 90 H36A PNS 44 -5.386 15.309 -6.513 653 H372 PNS 90 H37A PNS 44 -7.278 17.472 -6.613 654 H371 PNS 90 H37B PNS 44 -5.668 17.911 -7.185 655 H382 PNS 90 H38A PNS 44 -7.156 15.531 -8.258 656 H381 PNS 90 H38B PNS 44 -7.380 17.146 -8.912 657 H41 PNS 90 H41A PNS 44 -6.665 15.582 -10.727 658 H422 PNS 90 H42A PNS 44 -4.093 16.418 -11.619 659 H421 PNS 90 H42B PNS 44 -4.097 14.711 -11.182 660 H431 PNS 90 H43A PNS 44 -4.522 14.965 -13.549 661 H432 PNS 90 H43B PNS 44 -5.867 16.051 -13.217 662 H44 PNS 90 H1 PNS 44 -7.497 14.119 -12.069 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -22.251 -3.829 8.005 2 H2 ALA 1 HT2 ALA 1 -22.992 -4.756 9.218 3 H3 ALA 1 HT3 ALA 1 -23.291 -5.103 7.588 4 HA ALA 1 HA ALA 1 -21.788 -6.712 8.513 5 HB1 ALA 1 HB1 ALA 1 -20.029 -6.543 6.837 6 HB2 ALA 1 HB2 ALA 1 -20.427 -4.846 6.567 7 HB3 ALA 1 HB3 ALA 1 -21.591 -6.102 6.147 8 H MET 2 HN MET 2 -21.156 -3.494 9.449 9 HA MET 2 HA MET 2 -19.661 -2.476 10.812 10 HB2 MET 2 HB2 MET 2 -19.234 -5.295 11.812 11 HB3 MET 2 HB1 MET 2 -18.601 -3.857 12.597 12 HG2 MET 2 HG2 MET 2 -20.875 -3.049 12.961 13 HG3 MET 2 HG1 MET 2 -21.514 -4.490 12.170 14 HE1 MET 2 HE1 MET 2 -19.672 -3.044 15.318 15 HE2 MET 2 HE2 MET 2 -18.460 -4.143 14.658 16 HE3 MET 2 HE3 MET 2 -19.243 -4.516 16.192 17 H ALA 3 HN ALA 3 -18.495 -2.054 8.798 18 HA ALA 3 HA ALA 3 -16.563 -1.705 7.692 19 HB1 ALA 3 HB1 ALA 3 -15.244 -3.244 9.916 20 HB2 ALA 3 HB2 ALA 3 -15.494 -1.498 9.864 21 HB3 ALA 3 HB3 ALA 3 -14.424 -2.272 8.695 22 H LYS 4 HN LYS 4 -15.843 -2.573 5.903 23 HA LYS 4 HA LYS 4 -15.478 -5.482 5.742 24 HB2 LYS 4 HB2 LYS 4 -17.728 -5.106 4.919 25 HB3 LYS 4 HB1 LYS 4 -17.156 -3.851 3.832 26 HG2 LYS 4 HG2 LYS 4 -16.008 -5.434 2.469 27 HG3 LYS 4 HG1 LYS 4 -16.266 -6.721 3.649 28 HD2 LYS 4 HD2 LYS 4 -18.526 -5.292 2.269 29 HD3 LYS 4 HD1 LYS 4 -17.778 -6.754 1.625 30 HE2 LYS 4 HE2 LYS 4 -19.018 -6.527 4.365 31 HE3 LYS 4 HE1 LYS 4 -19.835 -7.197 2.950 32 HZ1 LYS 4 HZ1 LYS 4 -18.192 -8.932 2.830 33 HZ2 LYS 4 HZ2 LYS 4 -18.848 -8.905 4.392 34 HZ3 LYS 4 HZ3 LYS 4 -17.308 -8.255 4.111 35 H GLY 5 HN GLY 5 -13.547 -5.884 5.005 36 HA2 GLY 5 HA2 GLY 5 -12.217 -3.852 3.337 37 HA3 GLY 5 HA1 GLY 5 -11.382 -4.991 4.387 38 H VAL 6 HN VAL 6 -10.208 -5.225 2.225 39 HA VAL 6 HA VAL 6 -11.623 -6.685 0.185 40 HB VAL 6 HB VAL 6 -8.670 -6.149 0.358 41 HG11 VAL 6 HG11 VAL 6 -10.434 -6.864 -1.981 42 HG12 VAL 6 HG12 VAL 6 -9.252 -7.923 -1.212 43 HG13 VAL 6 HG13 VAL 6 -8.714 -6.484 -2.076 44 HG21 VAL 6 HG21 VAL 6 -9.110 -4.264 -1.180 45 HG22 VAL 6 HG22 VAL 6 -9.836 -4.036 0.411 46 HG23 VAL 6 HG23 VAL 6 -10.840 -4.524 -0.955 47 H GLY 7 HN GLY 7 -8.475 -7.494 1.612 48 HA2 GLY 7 HA2 GLY 7 -7.900 -9.535 2.674 49 HA3 GLY 7 HA1 GLY 7 -9.432 -10.217 2.132 50 H VAL 8 HN VAL 8 -6.115 -9.686 1.369 51 HA VAL 8 HA VAL 8 -6.547 -10.696 -1.365 52 HB VAL 8 HB VAL 8 -4.598 -9.544 -2.111 53 HG11 VAL 8 HG11 VAL 8 -6.561 -8.111 -1.842 54 HG12 VAL 8 HG12 VAL 8 -5.060 -7.216 -1.608 55 HG13 VAL 8 HG13 VAL 8 -6.030 -7.692 -0.214 56 HG21 VAL 8 HG21 VAL 8 -3.993 -9.003 0.793 57 HG22 VAL 8 HG22 VAL 8 -3.134 -8.263 -0.558 58 HG23 VAL 8 HG23 VAL 8 -3.069 -10.013 -0.325 59 H SER 9 HN SER 9 -4.940 -12.159 -2.220 60 HA SER 9 HA SER 9 -3.873 -13.976 -0.243 61 HB2 SER 9 HB2 SER 9 -4.966 -14.850 -2.283 62 HB3 SER 9 HB1 SER 9 -3.748 -14.055 -3.274 63 HG SER 9 HG SER 9 -3.639 -16.469 -2.218 64 H ASN 10 HN ASN 10 -1.559 -14.876 -1.044 65 HA ASN 10 HA ASN 10 0.256 -12.810 -0.319 66 HB2 ASN 10 HB2 ASN 10 0.497 -15.289 0.195 67 HB3 ASN 10 HB1 ASN 10 0.975 -15.502 -1.485 68 HD21 ASN 10 HD21 ASN 10 2.985 -14.748 -2.167 69 HD22 ASN 10 HD22 ASN 10 4.211 -14.250 -1.047 70 H GLU 11 HN GLU 11 -0.968 -14.030 -3.256 71 HA GLU 11 HA GLU 11 0.975 -13.207 -5.101 72 HB2 GLU 11 HB2 GLU 11 -0.810 -14.577 -5.899 73 HB3 GLU 11 HB1 GLU 11 -2.033 -13.479 -5.264 74 HG2 GLU 11 HG2 GLU 11 -0.855 -11.799 -6.930 75 HG3 GLU 11 HG1 GLU 11 -0.416 -13.299 -7.739 76 H LYS 12 HN LYS 12 -1.863 -11.480 -3.827 77 HA LYS 12 HA LYS 12 -1.283 -9.118 -5.321 78 HB2 LYS 12 HB2 LYS 12 -3.480 -10.075 -3.931 79 HB3 LYS 12 HB1 LYS 12 -2.917 -8.775 -2.892 80 HG2 LYS 12 HG2 LYS 12 -4.535 -7.801 -4.304 81 HG3 LYS 12 HG1 LYS 12 -2.979 -7.285 -4.954 82 HD2 LYS 12 HD2 LYS 12 -4.075 -7.935 -6.874 83 HD3 LYS 12 HD1 LYS 12 -3.222 -9.414 -6.444 84 HE2 LYS 12 HE2 LYS 12 -5.394 -10.080 -5.211 85 HE3 LYS 12 HE1 LYS 12 -6.137 -8.762 -6.119 86 HZ1 LYS 12 HZ1 LYS 12 -4.675 -11.045 -7.348 87 HZ2 LYS 12 HZ2 LYS 12 -5.506 -9.811 -8.174 88 HZ3 LYS 12 HZ3 LYS 12 -6.362 -10.923 -7.226 89 H LEU 13 HN LEU 13 -0.313 -10.423 -2.273 90 HA LEU 13 HA LEU 13 0.781 -8.054 -1.150 91 HB2 LEU 13 HB2 LEU 13 0.319 -10.356 -0.046 92 HB3 LEU 13 HB1 LEU 13 1.883 -10.827 -0.684 93 HG LEU 13 HG LEU 13 2.550 -8.531 0.559 94 HD11 LEU 13 HD11 LEU 13 0.309 -8.137 1.372 95 HD12 LEU 13 HD12 LEU 13 1.406 -8.466 2.717 96 HD13 LEU 13 HD13 LEU 13 0.296 -9.716 2.153 97 HD21 LEU 13 HD21 LEU 13 3.305 -9.952 2.436 98 HD22 LEU 13 HD22 LEU 13 3.705 -10.626 0.853 99 HD23 LEU 13 HD23 LEU 13 2.349 -11.281 1.776 100 H ASP 14 HN ASP 14 1.897 -10.326 -3.599 101 HA ASP 14 HA ASP 14 4.634 -9.414 -3.502 102 HB2 ASP 14 HB2 ASP 14 3.469 -11.683 -4.455 103 HB3 ASP 14 HB1 ASP 14 3.684 -10.798 -5.947 104 H ALA 15 HN ALA 15 1.716 -8.602 -5.106 105 HA ALA 15 HA ALA 15 2.959 -7.266 -7.341 106 HB1 ALA 15 HB1 ALA 15 0.707 -6.734 -8.039 107 HB2 ALA 15 HB2 ALA 15 0.071 -7.213 -6.467 108 HB3 ALA 15 HB3 ALA 15 0.774 -8.424 -7.538 109 H VAL 16 HN VAL 16 1.598 -6.393 -4.241 110 HA VAL 16 HA VAL 16 1.433 -3.607 -4.740 111 HB VAL 16 HB VAL 16 0.134 -4.511 -2.949 112 HG11 VAL 16 HG11 VAL 16 1.644 -6.381 -2.372 113 HG12 VAL 16 HG12 VAL 16 1.075 -5.494 -0.958 114 HG13 VAL 16 HG13 VAL 16 2.713 -5.234 -1.562 115 HG21 VAL 16 HG21 VAL 16 0.807 -3.038 -1.089 116 HG22 VAL 16 HG22 VAL 16 0.837 -2.230 -2.655 117 HG23 VAL 16 HG23 VAL 16 2.347 -2.751 -1.904 118 H MET 17 HN MET 17 3.924 -5.632 -3.230 119 HA MET 17 HA MET 17 5.474 -3.521 -2.222 120 HB2 MET 17 HB2 MET 17 6.397 -6.296 -2.997 121 HB3 MET 17 HB1 MET 17 7.239 -5.181 -1.944 122 HG2 MET 17 HG2 MET 17 5.286 -5.245 -0.413 123 HG3 MET 17 HG1 MET 17 4.619 -6.518 -1.428 124 HE1 MET 17 HE1 MET 17 7.155 -8.170 -2.280 125 HE2 MET 17 HE2 MET 17 5.678 -8.937 -1.691 126 HE3 MET 17 HE3 MET 17 7.239 -9.384 -1.003 127 H ARG 18 HN ARG 18 5.332 -4.943 -5.384 128 HA ARG 18 HA ARG 18 7.837 -3.817 -6.213 129 HB2 ARG 18 HB2 ARG 18 7.270 -4.707 -8.420 130 HB3 ARG 18 HB1 ARG 18 7.159 -5.925 -7.156 131 HG2 ARG 18 HG2 ARG 18 4.714 -5.563 -7.111 132 HG3 ARG 18 HG1 ARG 18 4.900 -4.460 -8.471 133 HD2 ARG 18 HD2 ARG 18 4.257 -6.594 -9.333 134 HD3 ARG 18 HD1 ARG 18 5.952 -6.340 -9.723 135 HE ARG 18 HE ARG 18 5.511 -7.805 -7.275 136 HH11 ARG 18 HH11 ARG 18 5.947 -8.031 -10.753 137 HH12 ARG 18 HH12 ARG 18 6.463 -9.689 -10.697 138 HH21 ARG 18 HH21 ARG 18 6.221 -9.990 -7.206 139 HH22 ARG 18 HH22 ARG 18 6.622 -10.795 -8.706 140 H VAL 19 HN VAL 19 4.516 -2.813 -6.188 141 HA VAL 19 HA VAL 19 5.007 -0.664 -8.069 142 HB VAL 19 HB VAL 19 2.670 -1.244 -6.237 143 HG11 VAL 19 HG11 VAL 19 1.486 0.542 -7.435 144 HG12 VAL 19 HG12 VAL 19 2.972 0.933 -8.304 145 HG13 VAL 19 HG13 VAL 19 2.889 1.162 -6.561 146 HG21 VAL 19 HG21 VAL 19 3.059 -2.765 -8.172 147 HG22 VAL 19 HG22 VAL 19 2.871 -1.376 -9.244 148 HG23 VAL 19 HG23 VAL 19 1.523 -1.904 -8.237 149 H VAL 20 HN VAL 20 4.848 -1.232 -4.649 150 HA VAL 20 HA VAL 20 5.219 1.430 -3.764 151 HB VAL 20 HB VAL 20 5.709 -1.288 -2.529 152 HG11 VAL 20 HG11 VAL 20 6.330 1.367 -1.227 153 HG12 VAL 20 HG12 VAL 20 7.506 0.134 -1.676 154 HG13 VAL 20 HG13 VAL 20 6.317 -0.199 -0.416 155 HG21 VAL 20 HG21 VAL 20 3.860 1.005 -1.874 156 HG22 VAL 20 HG22 VAL 20 3.985 -0.484 -0.943 157 HG23 VAL 20 HG23 VAL 20 3.410 -0.534 -2.609 158 H SER 21 HN SER 21 7.434 -1.099 -4.857 159 HA SER 21 HA SER 21 9.808 0.015 -3.845 160 HB2 SER 21 HB2 SER 21 10.977 -1.371 -5.498 161 HB3 SER 21 HB1 SER 21 9.681 -2.302 -4.748 162 HG SER 21 HG SER 21 8.418 -1.694 -6.656 163 H GLU 22 HN GLU 22 8.392 0.296 -7.063 164 HA GLU 22 HA GLU 22 10.174 2.041 -8.242 165 HB2 GLU 22 HB2 GLU 22 7.186 1.836 -8.645 166 HB3 GLU 22 HB1 GLU 22 8.296 2.656 -9.743 167 HG2 GLU 22 HG2 GLU 22 9.468 0.517 -10.097 168 HG3 GLU 22 HG1 GLU 22 8.270 -0.274 -9.073 169 H GLU 23 HN GLU 23 7.173 2.911 -6.538 170 HA GLU 23 HA GLU 23 7.612 5.694 -7.073 171 HB2 GLU 23 HB2 GLU 23 5.507 4.311 -5.394 172 HB3 GLU 23 HB1 GLU 23 5.491 6.017 -5.796 173 HG2 GLU 23 HG2 GLU 23 5.292 3.712 -7.715 174 HG3 GLU 23 HG1 GLU 23 4.009 4.837 -7.284 175 H SER 24 HN SER 24 8.355 3.587 -4.405 176 HA SER 24 HA SER 24 8.833 5.826 -2.623 177 HB2 SER 24 HB2 SER 24 9.572 2.914 -2.250 178 HB3 SER 24 HB1 SER 24 9.578 4.169 -1.009 179 HG SER 24 HG SER 24 7.376 3.015 -2.351 180 H GLY 25 HN GLY 25 10.615 3.705 -4.771 181 HA2 GLY 25 HA2 GLY 25 12.581 4.575 -5.882 182 HA3 GLY 25 HA1 GLY 25 12.944 5.491 -4.427 183 H ILE 26 HN ILE 26 12.006 2.537 -3.353 184 HA ILE 26 HA ILE 26 14.819 1.775 -2.995 185 HB ILE 26 HB ILE 26 12.574 0.578 -1.409 186 HG12 ILE 26 HG12 ILE 26 13.965 3.141 -0.595 187 HG13 ILE 26 HG11 ILE 26 12.392 3.120 -1.396 188 HG21 ILE 26 HG21 ILE 26 14.321 0.420 0.317 189 HG22 ILE 26 HG22 ILE 26 15.458 1.197 -0.784 190 HG23 ILE 26 HG23 ILE 26 14.791 -0.386 -1.181 191 HD11 ILE 26 HD11 ILE 26 12.179 3.341 1.025 192 HD12 ILE 26 HD12 ILE 26 13.060 1.830 1.245 193 HD13 ILE 26 HD13 ILE 26 11.478 1.819 0.466 194 H ALA 27 HN ALA 27 15.446 -0.400 -3.161 195 HA ALA 27 HA ALA 27 14.290 -1.884 -5.279 196 HB1 ALA 27 HB1 ALA 27 16.263 -2.766 -3.169 197 HB2 ALA 27 HB2 ALA 27 16.673 -1.983 -4.695 198 HB3 ALA 27 HB3 ALA 27 15.942 -3.588 -4.695 199 H LEU 28 HN LEU 28 13.105 -3.776 -5.262 200 HA LEU 28 HA LEU 28 11.132 -4.048 -3.280 201 HB2 LEU 28 HB2 LEU 28 10.584 -4.805 -5.435 202 HB3 LEU 28 HB1 LEU 28 12.049 -5.751 -5.577 203 HG LEU 28 HG LEU 28 11.137 -7.354 -3.911 204 HD11 LEU 28 HD11 LEU 28 8.718 -7.289 -3.434 205 HD12 LEU 28 HD12 LEU 28 8.642 -5.685 -4.160 206 HD13 LEU 28 HD13 LEU 28 9.600 -5.945 -2.704 207 HD21 LEU 28 HD21 LEU 28 9.507 -8.367 -5.427 208 HD22 LEU 28 HD22 LEU 28 10.934 -7.787 -6.284 209 HD23 LEU 28 HD23 LEU 28 9.435 -6.862 -6.344 210 H GLU 29 HN GLU 29 14.218 -5.654 -3.789 211 HA GLU 29 HA GLU 29 13.799 -7.705 -1.846 212 HB2 GLU 29 HB2 GLU 29 16.439 -6.678 -2.868 213 HB3 GLU 29 HB1 GLU 29 16.094 -8.257 -2.171 214 HG2 GLU 29 HG2 GLU 29 14.925 -7.232 -4.738 215 HG3 GLU 29 HG1 GLU 29 16.320 -8.305 -4.632 216 H GLU 30 HN GLU 30 14.346 -4.421 -1.572 217 HA GLU 30 HA GLU 30 15.589 -4.701 1.089 218 HB2 GLU 30 HB2 GLU 30 15.675 -2.266 -0.695 219 HB3 GLU 30 HB1 GLU 30 16.551 -2.515 0.816 220 HG2 GLU 30 HG2 GLU 30 17.638 -4.501 -0.399 221 HG3 GLU 30 HG1 GLU 30 17.031 -3.729 -1.865 222 H LEU 31 HN LEU 31 12.693 -4.326 -0.257 223 HA LEU 31 HA LEU 31 11.690 -2.092 1.242 224 HB2 LEU 31 HB2 LEU 31 10.636 -2.906 -0.861 225 HB3 LEU 31 HB1 LEU 31 10.169 -4.384 -0.034 226 HG LEU 31 HG LEU 31 8.780 -3.053 1.515 227 HD11 LEU 31 HD11 LEU 31 10.037 -0.962 1.384 228 HD12 LEU 31 HD12 LEU 31 8.326 -0.716 1.032 229 HD13 LEU 31 HD13 LEU 31 9.503 -0.746 -0.282 230 HD21 LEU 31 HD21 LEU 31 7.035 -2.473 -0.116 231 HD22 LEU 31 HD22 LEU 31 7.766 -4.043 -0.445 232 HD23 LEU 31 HD23 LEU 31 8.217 -2.640 -1.413 233 H THR 32 HN THR 32 12.016 -2.277 3.348 234 HA THR 32 HA THR 32 11.393 -4.800 4.691 235 HB THR 32 HB THR 32 12.676 -3.889 6.582 236 HG1 THR 32 HG1 THR 32 13.814 -1.827 6.153 237 HG21 THR 32 HG21 THR 32 14.105 -3.644 3.918 238 HG22 THR 32 HG22 THR 32 14.001 -5.082 4.939 239 HG23 THR 32 HG23 THR 32 14.915 -3.681 5.486 240 H ASP 33 HN ASP 33 10.185 -4.740 6.711 241 HA ASP 33 HA ASP 33 7.990 -2.849 6.628 242 HB2 ASP 33 HB2 ASP 33 7.105 -4.179 8.541 243 HB3 ASP 33 HB1 ASP 33 7.432 -5.142 7.108 244 H ASP 34 HN ASP 34 11.020 -2.873 7.870 245 HA ASP 34 HA ASP 34 10.669 -1.449 10.313 246 HB2 ASP 34 HB2 ASP 34 12.716 -2.605 10.040 247 HB3 ASP 34 HB1 ASP 34 12.984 -1.920 8.439 248 H SER 35 HN SER 35 10.588 -0.594 6.996 249 HA SER 35 HA SER 35 11.338 2.172 7.339 250 HB2 SER 35 HB2 SER 35 10.042 0.784 4.974 251 HB3 SER 35 HB1 SER 35 10.774 2.390 4.960 252 HG SER 35 HG SER 35 12.093 -0.085 5.447 253 H ASN 36 HN ASN 36 10.042 3.960 6.915 254 HA ASN 36 HA ASN 36 7.171 3.571 7.478 255 HB2 ASN 36 HB2 ASN 36 8.532 4.419 9.448 256 HB3 ASN 36 HB1 ASN 36 8.926 5.828 8.484 257 HD21 ASN 36 HD21 ASN 36 6.549 4.382 10.534 258 HD22 ASN 36 HD22 ASN 36 5.408 5.664 10.420 259 H PHE 37 HN PHE 37 5.940 4.528 5.905 260 HA PHE 37 HA PHE 37 7.179 5.466 3.585 261 HB2 PHE 37 HB2 PHE 37 4.351 5.501 4.568 262 HB3 PHE 37 HB1 PHE 37 4.769 6.401 3.110 263 HD1 PHE 37 HD1 PHE 37 6.610 4.758 1.664 264 HD2 PHE 37 HD2 PHE 37 3.272 3.570 4.024 265 HE1 PHE 37 HE1 PHE 37 6.413 2.688 0.345 266 HE2 PHE 37 HE2 PHE 37 3.077 1.505 2.717 267 HZ PHE 37 HZ PHE 37 4.754 1.072 0.839 268 H ALA 38 HN ALA 38 5.398 7.337 6.042 269 HA ALA 38 HA ALA 38 5.950 9.823 4.745 270 HB1 ALA 38 HB1 ALA 38 4.964 9.262 7.530 271 HB2 ALA 38 HB2 ALA 38 3.962 9.494 6.094 272 HB3 ALA 38 HB3 ALA 38 4.931 10.829 6.718 273 H ASP 39 HN ASP 39 7.556 7.898 7.140 274 HA ASP 39 HA ASP 39 9.291 9.956 8.101 275 HB2 ASP 39 HB2 ASP 39 8.788 7.890 9.399 276 HB3 ASP 39 HB1 ASP 39 9.709 6.964 8.212 277 H MET 40 HN MET 40 9.303 7.779 5.422 278 HA MET 40 HA MET 40 12.134 8.072 4.916 279 HB2 MET 40 HB2 MET 40 9.915 6.629 3.511 280 HB3 MET 40 HB1 MET 40 11.499 6.822 2.758 281 HG2 MET 40 HG2 MET 40 11.088 5.663 5.478 282 HG3 MET 40 HG1 MET 40 11.147 4.683 4.013 283 HE1 MET 40 HE1 MET 40 13.159 3.250 5.150 284 HE2 MET 40 HE2 MET 40 13.008 4.269 6.578 285 HE3 MET 40 HE3 MET 40 14.590 4.007 5.845 286 H GLY 41 HN GLY 41 9.322 9.806 4.192 287 HA2 GLY 41 HA2 GLY 41 9.590 12.018 3.204 288 HA3 GLY 41 HA1 GLY 41 10.819 11.330 2.148 289 H ILE 42 HN ILE 42 8.153 9.273 2.546 290 HA ILE 42 HA ILE 42 7.261 9.605 -0.128 291 HB ILE 42 HB ILE 42 5.998 8.202 2.239 292 HG12 ILE 42 HG12 ILE 42 8.119 7.298 1.287 293 HG13 ILE 42 HG11 ILE 42 6.758 6.182 1.190 294 HG21 ILE 42 HG21 ILE 42 4.149 8.792 0.889 295 HG22 ILE 42 HG22 ILE 42 4.520 7.106 0.519 296 HG23 ILE 42 HG23 ILE 42 5.015 8.382 -0.595 297 HD11 ILE 42 HD11 ILE 42 6.462 6.849 -1.178 298 HD12 ILE 42 HD12 ILE 42 8.014 6.080 -0.839 299 HD13 ILE 42 HD13 ILE 42 7.920 7.831 -1.039 300 H ASP 43 HN ASP 43 6.392 11.440 -0.754 301 HA ASP 43 HA ASP 43 4.951 13.174 1.055 302 HB2 ASP 43 HB2 ASP 43 6.152 13.366 -1.609 303 HB3 ASP 43 HB1 ASP 43 4.588 14.170 -1.512 304 H SER 44 HN SER 44 2.941 14.240 0.058 305 HA SER 44 HA SER 44 0.804 12.448 -0.028 306 HB2 SER 44 HB2 SER 44 0.486 14.738 0.606 307 HB3 SER 44 HB1 SER 44 1.083 15.315 -0.947 308 H LEU 45 HN LEU 45 2.866 13.750 -2.477 309 HA LEU 45 HA LEU 45 1.355 13.256 -4.785 310 HB2 LEU 45 HB2 LEU 45 3.485 14.638 -4.528 311 HB3 LEU 45 HB1 LEU 45 4.372 13.127 -4.547 312 HG LEU 45 HG LEU 45 4.352 14.415 -6.701 313 HD11 LEU 45 HD11 LEU 45 4.884 12.014 -6.622 314 HD12 LEU 45 HD12 LEU 45 4.090 12.477 -8.127 315 HD13 LEU 45 HD13 LEU 45 3.178 11.643 -6.867 316 HD21 LEU 45 HD21 LEU 45 2.363 14.236 -8.117 317 HD22 LEU 45 HD22 LEU 45 2.063 15.196 -6.669 318 HD23 LEU 45 HD23 LEU 45 1.473 13.536 -6.767 319 H SER 46 HN SER 46 4.056 11.286 -3.508 320 HA SER 46 HA SER 46 3.637 9.227 -5.403 321 HB2 SER 46 HB2 SER 46 5.179 9.076 -2.802 322 HB3 SER 46 HB1 SER 46 5.386 8.042 -4.217 323 HG SER 46 HG SER 46 6.606 9.511 -5.080 324 H SER 47 HN SER 47 2.644 9.637 -2.033 325 HA SER 47 HA SER 47 1.835 6.958 -1.637 326 HB2 SER 47 HB2 SER 47 0.563 7.889 0.309 327 HB3 SER 47 HB1 SER 47 2.266 8.348 0.270 328 HG SER 47 HG SER 47 1.736 10.380 -0.190 329 H MET 48 HN MET 48 0.350 9.626 -3.215 330 HA MET 48 HA MET 48 -2.289 8.507 -3.237 331 HB2 MET 48 HB2 MET 48 -1.814 10.965 -3.376 332 HB3 MET 48 HB1 MET 48 -1.078 10.708 -4.938 333 HG2 MET 48 HG2 MET 48 -4.013 10.233 -4.337 334 HG3 MET 48 HG1 MET 48 -3.344 11.690 -5.043 335 HE1 MET 48 HE1 MET 48 -5.156 11.406 -6.996 336 HE2 MET 48 HE2 MET 48 -5.720 9.898 -6.273 337 HE3 MET 48 HE3 MET 48 -5.294 9.952 -7.984 338 H VAL 49 HN VAL 49 0.438 8.751 -5.396 339 HA VAL 49 HA VAL 49 -0.745 7.637 -7.692 340 HB VAL 49 HB VAL 49 2.134 7.887 -6.777 341 HG11 VAL 49 HG11 VAL 49 2.826 7.250 -9.039 342 HG12 VAL 49 HG12 VAL 49 1.156 6.853 -9.442 343 HG13 VAL 49 HG13 VAL 49 2.014 5.925 -8.209 344 HG21 VAL 49 HG21 VAL 49 0.994 9.981 -7.379 345 HG22 VAL 49 HG22 VAL 49 0.579 9.305 -8.955 346 HG23 VAL 49 HG23 VAL 49 2.265 9.592 -8.537 347 H ILE 50 HN ILE 50 1.241 6.172 -5.122 348 HA ILE 50 HA ILE 50 1.497 3.631 -6.100 349 HB ILE 50 HB ILE 50 1.081 4.403 -3.214 350 HG12 ILE 50 HG12 ILE 50 3.654 4.039 -4.761 351 HG13 ILE 50 HG11 ILE 50 2.925 5.601 -4.424 352 HG21 ILE 50 HG21 ILE 50 2.340 2.358 -2.709 353 HG22 ILE 50 HG22 ILE 50 2.350 1.953 -4.427 354 HG23 ILE 50 HG23 ILE 50 0.825 2.016 -3.544 355 HD11 ILE 50 HD11 ILE 50 4.738 5.102 -2.885 356 HD12 ILE 50 HD12 ILE 50 3.894 3.645 -2.361 357 HD13 ILE 50 HD13 ILE 50 3.196 5.232 -2.040 358 H GLY 51 HN GLY 51 -1.099 4.744 -3.897 359 HA2 GLY 51 HA2 GLY 51 -2.510 2.296 -3.939 360 HA3 GLY 51 HA1 GLY 51 -3.175 3.847 -3.448 361 H SER 52 HN SER 52 -2.618 5.095 -6.047 362 HA SER 52 HA SER 52 -5.018 4.404 -7.382 363 HB2 SER 52 HB2 SER 52 -3.449 6.601 -7.491 364 HB3 SER 52 HB1 SER 52 -2.927 5.789 -8.975 365 HG SER 52 HG SER 52 -4.646 6.774 -9.738 366 H ARG 53 HN ARG 53 -1.634 3.525 -7.933 367 HA ARG 53 HA ARG 53 -2.038 2.256 -10.427 368 HB2 ARG 53 HB2 ARG 53 0.105 1.645 -8.382 369 HB3 ARG 53 HB1 ARG 53 0.134 1.201 -10.083 370 HG2 ARG 53 HG2 ARG 53 -0.071 3.759 -10.466 371 HG3 ARG 53 HG1 ARG 53 0.524 3.867 -8.811 372 HD2 ARG 53 HD2 ARG 53 2.542 3.799 -9.840 373 HD3 ARG 53 HD1 ARG 53 2.215 2.070 -9.788 374 HE ARG 53 HE ARG 53 1.226 3.297 -12.180 375 HH11 ARG 53 HH11 ARG 53 4.086 1.954 -10.654 376 HH12 ARG 53 HH12 ARG 53 4.831 1.508 -12.155 377 HH21 ARG 53 HH21 ARG 53 2.210 2.701 -14.146 378 HH22 ARG 53 HH22 ARG 53 3.768 1.925 -14.132 379 H PHE 54 HN PHE 54 -2.624 1.244 -7.163 380 HA PHE 54 HA PHE 54 -2.726 -1.550 -7.461 381 HB2 PHE 54 HB2 PHE 54 -4.410 0.326 -5.778 382 HB3 PHE 54 HB1 PHE 54 -4.498 -1.420 -5.657 383 HD1 PHE 54 HD1 PHE 54 -1.154 -0.688 -6.299 384 HD2 PHE 54 HD2 PHE 54 -4.094 -0.442 -3.227 385 HE1 PHE 54 HE1 PHE 54 0.625 -0.643 -4.588 386 HE2 PHE 54 HE2 PHE 54 -2.319 -0.400 -1.526 387 HZ PHE 54 HZ PHE 54 0.040 -0.516 -2.214 388 H ARG 55 HN ARG 55 -5.008 1.003 -8.221 389 HA ARG 55 HA ARG 55 -7.135 -0.779 -8.950 390 HB2 ARG 55 HB2 ARG 55 -6.802 2.182 -9.454 391 HB3 ARG 55 HB1 ARG 55 -8.301 1.267 -9.592 392 HG2 ARG 55 HG2 ARG 55 -8.211 0.782 -7.199 393 HG3 ARG 55 HG1 ARG 55 -6.719 1.715 -7.069 394 HD2 ARG 55 HD2 ARG 55 -9.388 2.793 -7.980 395 HD3 ARG 55 HD1 ARG 55 -8.692 3.008 -6.376 396 HE ARG 55 HE ARG 55 -6.794 3.956 -8.118 397 HH11 ARG 55 HH11 ARG 55 -10.158 4.694 -7.468 398 HH12 ARG 55 HH12 ARG 55 -9.980 6.382 -7.841 399 HH21 ARG 55 HH21 ARG 55 -6.579 6.192 -8.622 400 HH22 ARG 55 HH22 ARG 55 -7.980 7.219 -8.491 401 H GLU 56 HN GLU 56 -4.444 0.697 -10.525 402 HA GLU 56 HA GLU 56 -5.520 0.533 -13.186 403 HB2 GLU 56 HB2 GLU 56 -2.693 0.983 -12.222 404 HB3 GLU 56 HB1 GLU 56 -3.215 1.119 -13.895 405 HG2 GLU 56 HG2 GLU 56 -4.769 2.926 -13.193 406 HG3 GLU 56 HG1 GLU 56 -4.062 2.840 -11.578 407 H ASP 57 HN ASP 57 -2.785 -1.104 -11.593 408 HA ASP 57 HA ASP 57 -2.718 -3.064 -13.747 409 HB2 ASP 57 HB2 ASP 57 -0.607 -2.140 -12.926 410 HB3 ASP 57 HB1 ASP 57 -0.952 -2.746 -11.312 411 H LEU 58 HN LEU 58 -3.038 -3.105 -10.211 412 HA LEU 58 HA LEU 58 -3.239 -5.947 -10.110 413 HB2 LEU 58 HB2 LEU 58 -3.592 -3.768 -8.061 414 HB3 LEU 58 HB1 LEU 58 -3.929 -5.443 -7.675 415 HG LEU 58 HG LEU 58 -1.602 -6.045 -8.153 416 HD11 LEU 58 HD11 LEU 58 -1.147 -4.349 -9.861 417 HD12 LEU 58 HD12 LEU 58 0.074 -4.353 -8.590 418 HD13 LEU 58 HD13 LEU 58 -1.167 -3.101 -8.615 419 HD21 LEU 58 HD21 LEU 58 -2.243 -5.371 -5.893 420 HD22 LEU 58 HD22 LEU 58 -1.833 -3.698 -6.279 421 HD23 LEU 58 HD23 LEU 58 -0.574 -4.934 -6.261 422 H GLY 59 HN GLY 59 -5.509 -3.354 -10.366 423 HA2 GLY 59 HA2 GLY 59 -7.776 -3.423 -10.799 424 HA3 GLY 59 HA1 GLY 59 -7.674 -5.180 -10.796 425 H LEU 60 HN LEU 60 -6.535 -3.221 -8.147 426 HA LEU 60 HA LEU 60 -8.332 -4.546 -6.317 427 HB2 LEU 60 HB2 LEU 60 -6.331 -2.346 -5.822 428 HB3 LEU 60 HB1 LEU 60 -7.167 -3.255 -4.585 429 HG LEU 60 HG LEU 60 -5.132 -4.347 -6.524 430 HD11 LEU 60 HD11 LEU 60 -3.779 -4.688 -4.503 431 HD12 LEU 60 HD12 LEU 60 -5.027 -3.887 -3.548 432 HD13 LEU 60 HD13 LEU 60 -4.147 -2.984 -4.781 433 HD21 LEU 60 HD21 LEU 60 -5.337 -6.453 -5.367 434 HD22 LEU 60 HD22 LEU 60 -6.917 -5.976 -5.997 435 HD23 LEU 60 HD23 LEU 60 -6.553 -5.775 -4.283 436 H ASP 61 HN ASP 61 -10.385 -3.819 -6.037 437 HA ASP 61 HA ASP 61 -10.980 -1.034 -6.635 438 HB2 ASP 61 HB2 ASP 61 -12.468 -2.926 -7.434 439 HB3 ASP 61 HB1 ASP 61 -12.930 -3.170 -5.750 440 H LEU 62 HN LEU 62 -9.690 -0.300 -4.874 441 HA LEU 62 HA LEU 62 -10.492 -0.875 -2.152 442 HB2 LEU 62 HB2 LEU 62 -8.593 1.221 -3.208 443 HB3 LEU 62 HB1 LEU 62 -8.730 0.700 -1.541 444 HG LEU 62 HG LEU 62 -7.855 -1.120 -3.784 445 HD11 LEU 62 HD11 LEU 62 -5.576 -0.771 -2.986 446 HD12 LEU 62 HD12 LEU 62 -6.157 0.432 -1.834 447 HD13 LEU 62 HD13 LEU 62 -6.283 0.737 -3.566 448 HD21 LEU 62 HD21 LEU 62 -8.730 -2.245 -1.796 449 HD22 LEU 62 HD22 LEU 62 -7.592 -1.348 -0.791 450 HD23 LEU 62 HD23 LEU 62 -6.994 -2.502 -1.983 451 H GLY 63 HN GLY 63 -10.107 2.122 -3.973 452 HA2 GLY 63 HA2 GLY 63 -12.580 3.222 -3.817 453 HA3 GLY 63 HA1 GLY 63 -11.850 3.605 -2.262 454 HA PRO 64 HA PRO 64 -10.335 6.488 -5.665 455 HB2 PRO 64 HB2 PRO 64 -12.031 8.560 -5.528 456 HB3 PRO 64 HB1 PRO 64 -12.425 7.091 -6.441 457 HG2 PRO 64 HG2 PRO 64 -13.358 7.949 -3.745 458 HG3 PRO 64 HG1 PRO 64 -14.262 7.144 -5.035 459 HD2 PRO 64 HD2 PRO 64 -13.157 5.886 -2.815 460 HD3 PRO 64 HD1 PRO 64 -13.623 5.078 -4.323 461 H GLU 65 HN GLU 65 -10.887 6.665 -2.361 462 HA GLU 65 HA GLU 65 -9.369 9.183 -2.099 463 HB2 GLU 65 HB2 GLU 65 -11.802 9.137 -1.340 464 HB3 GLU 65 HB1 GLU 65 -11.295 8.022 -0.077 465 HG2 GLU 65 HG2 GLU 65 -9.774 9.751 0.806 466 HG3 GLU 65 HG1 GLU 65 -10.359 10.868 -0.431 467 H PHE 66 HN PHE 66 -8.496 6.293 -2.248 468 HA PHE 66 HA PHE 66 -7.590 5.633 0.412 469 HB2 PHE 66 HB2 PHE 66 -8.198 3.862 -1.211 470 HB3 PHE 66 HB1 PHE 66 -6.907 4.399 -2.278 471 HD1 PHE 66 HD2 PHE 66 -7.623 2.830 0.989 472 HD2 PHE 66 HD1 PHE 66 -4.707 3.686 -1.987 473 HE1 PHE 66 HE2 PHE 66 -6.063 1.276 2.073 474 HE2 PHE 66 HE1 PHE 66 -3.149 2.125 -0.913 475 HZ PHE 66 HZ PHE 66 -3.821 0.914 1.119 476 H SER 67 HN SER 67 -5.999 6.696 1.320 477 HA SER 67 HA SER 67 -3.717 7.574 -0.325 478 HB2 SER 67 HB2 SER 67 -5.013 8.987 2.017 479 HB3 SER 67 HB1 SER 67 -3.517 9.510 1.240 480 HG SER 67 HG SER 67 -5.737 9.083 -0.388 481 H LEU 68 HN LEU 68 -1.936 6.508 0.196 482 HA LEU 68 HA LEU 68 -1.632 4.937 2.512 483 HB2 LEU 68 HB2 LEU 68 0.477 6.068 0.681 484 HB3 LEU 68 HB1 LEU 68 0.760 4.832 1.889 485 HG LEU 68 HG LEU 68 -0.876 4.611 -0.625 486 HD11 LEU 68 HD11 LEU 68 1.427 4.311 -1.046 487 HD12 LEU 68 HD12 LEU 68 0.719 2.696 -0.967 488 HD13 LEU 68 HD13 LEU 68 1.636 3.326 0.402 489 HD21 LEU 68 HD21 LEU 68 -0.615 2.631 1.630 490 HD22 LEU 68 HD22 LEU 68 -1.384 2.330 0.070 491 HD23 LEU 68 HD23 LEU 68 -2.074 3.514 1.181 492 H PHE 69 HN PHE 69 -0.882 8.249 1.781 493 HA PHE 69 HA PHE 69 1.029 8.781 3.746 494 HB2 PHE 69 HB2 PHE 69 0.324 10.228 1.769 495 HB3 PHE 69 HB1 PHE 69 -1.042 10.751 2.746 496 HD1 PHE 69 HD1 PHE 69 2.659 10.666 2.624 497 HD2 PHE 69 HD2 PHE 69 -0.802 12.500 4.291 498 HE1 PHE 69 HE1 PHE 69 4.066 12.433 3.583 499 HE2 PHE 69 HE2 PHE 69 0.609 14.268 5.271 500 HZ PHE 69 HZ PHE 69 3.048 14.238 4.916 501 H ILE 70 HN ILE 70 -2.297 8.087 4.086 502 HA ILE 70 HA ILE 70 -2.271 9.229 6.806 503 HB ILE 70 HB ILE 70 -4.678 9.055 4.956 504 HG12 ILE 70 HG12 ILE 70 -3.217 11.419 6.163 505 HG13 ILE 70 HG11 ILE 70 -3.179 10.943 4.471 506 HG21 ILE 70 HG21 ILE 70 -4.564 10.023 7.815 507 HG22 ILE 70 HG22 ILE 70 -5.286 8.510 7.267 508 HG23 ILE 70 HG23 ILE 70 -5.969 10.049 6.748 509 HD11 ILE 70 HD11 ILE 70 -5.586 11.932 5.985 510 HD12 ILE 70 HD12 ILE 70 -5.590 11.386 4.309 511 HD13 ILE 70 HD13 ILE 70 -4.663 12.815 4.766 512 H ASP 71 HN ASP 71 -3.371 6.541 4.743 513 HA ASP 71 HA ASP 71 -4.266 5.198 7.207 514 HB2 ASP 71 HB2 ASP 71 -5.620 5.518 4.823 515 HB3 ASP 71 HB1 ASP 71 -5.039 3.854 4.738 516 H CYS 72 HN CYS 72 -1.523 5.284 5.568 517 HA CYS 72 HA CYS 72 -0.811 2.614 6.429 518 HB2 CYS 72 HB2 CYS 72 -0.447 3.484 3.550 519 HB3 CYS 72 HB1 CYS 72 0.327 2.076 4.267 520 HG CYS 72 HG CYS 72 -2.874 1.837 4.856 521 H THR 73 HN THR 73 0.449 3.620 7.942 522 HA THR 73 HA THR 73 2.179 5.829 7.248 523 HB THR 73 HB THR 73 2.885 5.542 9.694 524 HG1 THR 73 HG1 THR 73 1.220 4.253 10.868 525 HG21 THR 73 HG21 THR 73 0.727 6.455 10.542 526 HG22 THR 73 HG22 THR 73 -0.024 6.030 9.004 527 HG23 THR 73 HG23 THR 73 1.263 7.231 9.051 528 H THR 74 HN THR 74 2.829 2.633 8.740 529 HA THR 74 HA THR 74 5.535 2.716 7.695 530 HB THR 74 HB THR 74 5.842 0.550 8.817 531 HG1 THR 74 HG1 THR 74 4.024 -0.174 10.176 532 HG21 THR 74 HG21 THR 74 5.484 1.305 11.145 533 HG22 THR 74 HG22 THR 74 4.521 2.651 10.535 534 HG23 THR 74 HG23 THR 74 6.236 2.535 10.132 535 H VAL 75 HN VAL 75 6.179 0.306 6.789 536 HA VAL 75 HA VAL 75 4.716 0.147 4.305 537 HB VAL 75 HB VAL 75 6.714 -1.938 4.856 538 HG11 VAL 75 HG11 VAL 75 6.323 0.046 2.626 539 HG12 VAL 75 HG12 VAL 75 5.780 -1.633 2.647 540 HG13 VAL 75 HG13 VAL 75 7.505 -1.260 2.631 541 HG21 VAL 75 HG21 VAL 75 7.475 0.968 4.809 542 HG22 VAL 75 HG22 VAL 75 8.605 -0.361 4.548 543 HG23 VAL 75 HG23 VAL 75 7.773 -0.205 6.095 544 H ARG 76 HN ARG 76 5.356 -1.917 7.082 545 HA ARG 76 HA ARG 76 3.908 -4.169 6.302 546 HB2 ARG 76 HB2 ARG 76 5.456 -4.142 8.199 547 HB3 ARG 76 HB1 ARG 76 4.367 -3.078 9.085 548 HG2 ARG 76 HG2 ARG 76 3.868 -5.150 9.965 549 HG3 ARG 76 HG1 ARG 76 2.640 -4.937 8.719 550 HD2 ARG 76 HD2 ARG 76 3.449 -7.169 8.564 551 HD3 ARG 76 HD1 ARG 76 4.063 -6.278 7.174 552 HE ARG 76 HE ARG 76 6.154 -6.049 8.670 553 HH11 ARG 76 HH11 ARG 76 4.022 -8.829 8.595 554 HH12 ARG 76 HH12 ARG 76 5.277 -9.947 9.061 555 HH21 ARG 76 HH21 ARG 76 7.800 -7.520 9.266 556 HH22 ARG 76 HH22 ARG 76 7.421 -9.218 9.388 557 H ALA 77 HN ALA 77 2.875 -1.097 7.613 558 HA ALA 77 HA ALA 77 0.284 -1.764 8.427 559 HB1 ALA 77 HB1 ALA 77 -0.248 0.619 8.118 560 HB2 ALA 77 HB2 ALA 77 1.278 0.835 7.262 561 HB3 ALA 77 HB3 ALA 77 1.280 0.382 8.966 562 H LEU 78 HN LEU 78 1.583 -1.038 5.236 563 HA LEU 78 HA LEU 78 -0.942 -0.978 3.897 564 HB2 LEU 78 HB2 LEU 78 1.598 -0.280 3.247 565 HB3 LEU 78 HB1 LEU 78 1.470 -1.808 2.413 566 HG LEU 78 HG LEU 78 -0.502 0.429 2.024 567 HD11 LEU 78 HD11 LEU 78 1.627 1.314 1.441 568 HD12 LEU 78 HD12 LEU 78 0.810 0.876 -0.062 569 HD13 LEU 78 HD13 LEU 78 2.077 -0.162 0.597 570 HD21 LEU 78 HD21 LEU 78 -1.293 -1.740 1.271 571 HD22 LEU 78 HD22 LEU 78 0.193 -1.990 0.357 572 HD23 LEU 78 HD23 LEU 78 -0.928 -0.713 -0.114 573 H LYS 79 HN LYS 79 1.619 -3.342 4.348 574 HA LYS 79 HA LYS 79 0.703 -5.501 2.913 575 HB2 LYS 79 HB2 LYS 79 1.962 -5.706 5.653 576 HB3 LYS 79 HB1 LYS 79 2.007 -6.907 4.357 577 HG2 LYS 79 HG2 LYS 79 3.186 -4.153 3.990 578 HG3 LYS 79 HG1 LYS 79 4.134 -5.422 4.777 579 HD2 LYS 79 HD2 LYS 79 3.796 -6.834 2.767 580 HD3 LYS 79 HD1 LYS 79 2.923 -5.505 2.001 581 HE2 LYS 79 HE2 LYS 79 5.177 -5.471 1.192 582 HE3 LYS 79 HE1 LYS 79 4.963 -4.097 2.283 583 HZ1 LYS 79 HZ1 LYS 79 7.071 -5.454 2.545 584 HZ2 LYS 79 HZ2 LYS 79 6.103 -6.677 3.215 585 HZ3 LYS 79 HZ3 LYS 79 6.185 -5.159 3.954 586 H ASP 80 HN ASP 80 0.145 -4.973 6.385 587 HA ASP 80 HA ASP 80 -1.675 -7.123 6.627 588 HB2 ASP 80 HB2 ASP 80 -0.921 -4.840 8.426 589 HB3 ASP 80 HB1 ASP 80 -2.216 -5.951 8.862 590 H PHE 81 HN PHE 81 -2.075 -3.815 5.728 591 HA PHE 81 HA PHE 81 -4.799 -3.509 6.387 592 HB2 PHE 81 HB2 PHE 81 -3.208 -1.657 5.753 593 HB3 PHE 81 HB1 PHE 81 -3.368 -2.178 4.079 594 HD1 PHE 81 HD1 PHE 81 -5.099 -0.661 6.938 595 HD2 PHE 81 HD2 PHE 81 -5.340 -1.691 2.814 596 HE1 PHE 81 HE1 PHE 81 -7.098 0.755 6.709 597 HE2 PHE 81 HE2 PHE 81 -7.339 -0.276 2.578 598 HZ PHE 81 HZ PHE 81 -8.216 0.951 4.524 599 H MET 82 HN MET 82 -3.139 -4.815 3.597 600 HA MET 82 HA MET 82 -5.320 -5.043 1.847 601 HB2 MET 82 HB2 MET 82 -2.940 -6.872 2.013 602 HB3 MET 82 HB1 MET 82 -3.972 -6.607 0.616 603 HG2 MET 82 HG2 MET 82 -3.236 -4.256 0.546 604 HG3 MET 82 HG1 MET 82 -2.139 -4.590 1.890 605 HE1 MET 82 HE1 MET 82 -1.217 -4.947 -2.417 606 HE2 MET 82 HE2 MET 82 -1.872 -3.643 -1.423 607 HE3 MET 82 HE3 MET 82 -2.900 -5.008 -1.885 608 H LEU 83 HN LEU 83 -4.030 -7.301 4.242 609 HA LEU 83 HA LEU 83 -5.916 -9.366 3.640 610 HB2 LEU 83 HB2 LEU 83 -4.066 -8.932 5.995 611 HB3 LEU 83 HB1 LEU 83 -5.095 -10.338 5.840 612 HG LEU 83 HG LEU 83 -3.888 -10.854 3.680 613 HD11 LEU 83 HD11 LEU 83 -1.714 -9.868 3.305 614 HD12 LEU 83 HD12 LEU 83 -1.957 -8.773 4.667 615 HD13 LEU 83 HD13 LEU 83 -2.983 -8.646 3.238 616 HD21 LEU 83 HD21 LEU 83 -3.381 -12.061 5.744 617 HD22 LEU 83 HD22 LEU 83 -2.231 -10.804 6.205 618 HD23 LEU 83 HD23 LEU 83 -1.924 -11.807 4.786 619 H GLY 84 HN GLY 84 -6.044 -6.475 5.463 620 HA2 GLY 84 HA2 GLY 84 -7.914 -7.244 7.472 621 HA3 GLY 84 HA1 GLY 84 -7.625 -5.597 6.922 622 H SER 85 HN SER 85 -9.621 -8.407 6.642 623 HA SER 85 HA SER 85 -11.262 -7.089 4.615 624 HB2 SER 85 HB2 SER 85 -10.418 -9.480 4.305 625 HB3 SER 85 HB1 SER 85 -11.540 -9.932 5.579 626 HG SER 85 HG SER 85 -12.065 -9.062 2.966 627 H GLY 86 HN GLY 86 -11.008 -6.841 7.640 628 HA2 GLY 86 HA2 GLY 86 -13.392 -5.789 8.343 629 HA3 GLY 86 HA1 GLY 86 -13.643 -7.509 8.616 630 H ASP 87 HN ASP 87 -13.526 -5.228 10.498 631 HA ASP 87 HA ASP 87 -11.820 -6.514 12.452 632 HB2 ASP 87 HB2 ASP 87 -10.343 -4.827 11.288 633 HB3 ASP 87 HB1 ASP 87 -11.427 -3.568 11.866 634 H ALA 88 HN ALA 88 -12.947 -3.189 12.484 635 HA ALA 88 HA ALA 88 -14.678 -2.114 13.445 636 HB1 ALA 88 HB1 ALA 88 -15.949 -4.826 13.773 637 HB2 ALA 88 HB2 ALA 88 -16.142 -3.755 12.385 638 HB3 ALA 88 HB3 ALA 88 -16.748 -3.266 13.967 639 H GLY 89 HN GLY 89 -15.131 -1.329 15.414 640 HA2 GLY 89 HA2 GLY 89 -15.354 -2.639 17.821 641 HA3 GLY 89 HA1 GLY 89 -13.638 -2.294 17.642 642 H282 PNS 90 H28A PNS 44 0.326 14.816 -4.411 643 H281 PNS 90 H28B PNS 44 -0.734 13.928 -3.323 644 H303 PNS 90 H30A PNS 44 -1.106 12.934 -5.704 645 H302 PNS 90 H30B PNS 44 -0.371 14.307 -6.532 646 H301 PNS 90 H30C PNS 44 -2.049 13.874 -6.862 647 H313 PNS 90 H31A PNS 44 -3.823 14.351 -5.153 648 H312 PNS 90 H31B PNS 44 -3.351 14.963 -3.565 649 H311 PNS 90 H31C PNS 44 -2.922 13.319 -4.041 650 H32 PNS 90 H32A PNS 44 -2.533 16.840 -4.798 651 H33 PNS 90 H33A PNS 44 -0.258 17.027 -4.785 652 H36 PNS 90 H36A PNS 44 -1.323 17.605 -7.533 653 H372 PNS 90 H37A PNS 44 -2.817 16.262 -9.557 654 H371 PNS 90 H37B PNS 44 -3.579 17.780 -9.084 655 H382 PNS 90 H38A PNS 44 -2.178 18.181 -10.972 656 H381 PNS 90 H38B PNS 44 -1.451 18.946 -9.562 657 H41 PNS 90 H41A PNS 44 0.477 18.985 -10.762 658 H422 PNS 90 H42A PNS 44 2.187 16.702 -10.297 659 H421 PNS 90 H42B PNS 44 1.961 17.123 -11.997 660 H431 PNS 90 H43A PNS 44 2.810 19.350 -11.591 661 H432 PNS 90 H43B PNS 44 3.975 18.146 -11.041 662 H44 PNS 90 H1 PNS 44 3.982 20.337 -9.284 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -20.479 -4.516 14.022 2 H2 ALA 1 HT2 ALA 1 -19.926 -4.399 12.425 3 H3 ALA 1 HT3 ALA 1 -18.865 -4.122 13.713 4 HA ALA 1 HA ALA 1 -19.169 -6.435 14.437 5 HB1 ALA 1 HB1 ALA 1 -20.183 -8.016 12.879 6 HB2 ALA 1 HB2 ALA 1 -20.617 -6.688 11.804 7 HB3 ALA 1 HB3 ALA 1 -21.348 -6.802 13.404 8 H MET 2 HN MET 2 -18.892 -5.891 10.904 9 HA MET 2 HA MET 2 -16.224 -7.069 11.046 10 HB2 MET 2 HB2 MET 2 -17.825 -6.269 8.606 11 HB3 MET 2 HB1 MET 2 -16.322 -7.183 8.609 12 HG2 MET 2 HG2 MET 2 -18.999 -8.066 9.658 13 HG3 MET 2 HG1 MET 2 -18.139 -8.687 8.250 14 HE1 MET 2 HE1 MET 2 -15.196 -8.956 9.185 15 HE2 MET 2 HE2 MET 2 -16.008 -10.305 8.392 16 HE3 MET 2 HE3 MET 2 -15.122 -10.566 9.895 17 H ALA 3 HN ALA 3 -14.367 -5.967 10.233 18 HA ALA 3 HA ALA 3 -14.535 -3.110 10.682 19 HB1 ALA 3 HB1 ALA 3 -12.100 -3.180 10.772 20 HB2 ALA 3 HB2 ALA 3 -12.133 -4.870 10.270 21 HB3 ALA 3 HB3 ALA 3 -12.805 -4.402 11.832 22 H LYS 4 HN LYS 4 -14.490 -5.210 8.138 23 HA LYS 4 HA LYS 4 -14.458 -5.029 5.887 24 HB2 LYS 4 HB2 LYS 4 -15.814 -3.033 6.093 25 HB3 LYS 4 HB1 LYS 4 -14.386 -2.057 6.417 26 HG2 LYS 4 HG2 LYS 4 -13.566 -2.434 4.184 27 HG3 LYS 4 HG1 LYS 4 -14.889 -3.549 3.850 28 HD2 LYS 4 HD2 LYS 4 -16.498 -1.718 4.109 29 HD3 LYS 4 HD1 LYS 4 -15.170 -0.604 4.455 30 HE2 LYS 4 HE2 LYS 4 -14.267 -0.916 2.241 31 HE3 LYS 4 HE1 LYS 4 -15.448 -2.178 1.893 32 HZ1 LYS 4 HZ1 LYS 4 -17.207 -0.501 2.121 33 HZ2 LYS 4 HZ2 LYS 4 -16.129 -0.136 0.866 34 HZ3 LYS 4 HZ3 LYS 4 -16.031 0.705 2.339 35 H GLY 5 HN GLY 5 -12.773 -5.792 4.895 36 HA2 GLY 5 HA2 GLY 5 -10.335 -4.170 4.742 37 HA3 GLY 5 HA1 GLY 5 -10.209 -5.844 5.276 38 H VAL 6 HN VAL 6 -8.783 -5.276 3.115 39 HA VAL 6 HA VAL 6 -10.252 -5.611 0.670 40 HB VAL 6 HB VAL 6 -7.286 -5.933 1.120 41 HG11 VAL 6 HG11 VAL 6 -7.106 -5.485 -1.277 42 HG12 VAL 6 HG12 VAL 6 -8.860 -5.363 -1.390 43 HG13 VAL 6 HG13 VAL 6 -8.109 -6.904 -0.980 44 HG21 VAL 6 HG21 VAL 6 -8.824 -3.484 0.268 45 HG22 VAL 6 HG22 VAL 6 -7.069 -3.616 0.399 46 HG23 VAL 6 HG23 VAL 6 -8.074 -3.723 1.844 47 H GLY 7 HN GLY 7 -7.644 -7.656 1.990 48 HA2 GLY 7 HA2 GLY 7 -7.764 -9.975 2.411 49 HA3 GLY 7 HA1 GLY 7 -9.317 -10.022 1.585 50 H VAL 8 HN VAL 8 -5.844 -9.941 1.164 51 HA VAL 8 HA VAL 8 -6.208 -10.483 -1.706 52 HB VAL 8 HB VAL 8 -4.105 -9.487 -2.188 53 HG11 VAL 8 HG11 VAL 8 -4.321 -7.228 -1.380 54 HG12 VAL 8 HG12 VAL 8 -5.399 -7.769 -0.093 55 HG13 VAL 8 HG13 VAL 8 -5.904 -7.898 -1.777 56 HG21 VAL 8 HG21 VAL 8 -2.497 -8.765 -0.532 57 HG22 VAL 8 HG22 VAL 8 -2.840 -10.478 -0.323 58 HG23 VAL 8 HG23 VAL 8 -3.557 -9.293 0.774 59 H SER 9 HN SER 9 -4.704 -11.984 -2.701 60 HA SER 9 HA SER 9 -4.050 -14.225 -1.017 61 HB2 SER 9 HB2 SER 9 -3.273 -13.861 -3.912 62 HB3 SER 9 HB1 SER 9 -3.551 -15.368 -3.040 63 HG SER 9 HG SER 9 -5.279 -14.458 -4.513 64 H ASN 10 HN ASN 10 -1.733 -15.218 -1.528 65 HA ASN 10 HA ASN 10 0.137 -13.420 -0.357 66 HB2 ASN 10 HB2 ASN 10 0.154 -15.912 -0.044 67 HB3 ASN 10 HB1 ASN 10 0.701 -16.080 -1.709 68 HD21 ASN 10 HD21 ASN 10 1.549 -15.133 1.509 69 HD22 ASN 10 HD22 ASN 10 3.256 -15.021 1.240 70 H GLU 11 HN GLU 11 -0.435 -14.625 -3.588 71 HA GLU 11 HA GLU 11 1.686 -13.512 -5.001 72 HB2 GLU 11 HB2 GLU 11 0.164 -15.011 -6.077 73 HB3 GLU 11 HB1 GLU 11 -1.210 -13.984 -5.710 74 HG2 GLU 11 HG2 GLU 11 0.150 -12.258 -7.171 75 HG3 GLU 11 HG1 GLU 11 0.823 -13.741 -7.847 76 H LYS 12 HN LYS 12 -1.332 -12.061 -3.944 77 HA LYS 12 HA LYS 12 -1.015 -9.643 -5.402 78 HB2 LYS 12 HB2 LYS 12 -2.714 -10.273 -2.982 79 HB3 LYS 12 HB1 LYS 12 -2.857 -8.817 -3.956 80 HG2 LYS 12 HG2 LYS 12 -3.291 -11.630 -4.965 81 HG3 LYS 12 HG1 LYS 12 -4.578 -10.512 -4.510 82 HD2 LYS 12 HD2 LYS 12 -3.660 -8.934 -6.255 83 HD3 LYS 12 HD1 LYS 12 -2.599 -10.244 -6.777 84 HE2 LYS 12 HE2 LYS 12 -5.593 -10.515 -6.632 85 HE3 LYS 12 HE1 LYS 12 -4.760 -9.945 -8.074 86 HZ1 LYS 12 HZ1 LYS 12 -3.486 -12.068 -8.046 87 HZ2 LYS 12 HZ2 LYS 12 -5.157 -12.261 -8.298 88 HZ3 LYS 12 HZ3 LYS 12 -4.491 -12.607 -6.785 89 H LEU 13 HN LEU 13 0.129 -10.770 -2.336 90 HA LEU 13 HA LEU 13 0.993 -8.242 -1.343 91 HB2 LEU 13 HB2 LEU 13 0.737 -10.344 0.009 92 HB3 LEU 13 HB1 LEU 13 2.203 -10.948 -0.726 93 HG LEU 13 HG LEU 13 3.458 -9.083 0.237 94 HD11 LEU 13 HD11 LEU 13 1.725 -7.397 0.301 95 HD12 LEU 13 HD12 LEU 13 2.394 -7.634 1.918 96 HD13 LEU 13 HD13 LEU 13 0.829 -8.333 1.499 97 HD21 LEU 13 HD21 LEU 13 3.299 -11.157 1.482 98 HD22 LEU 13 HD22 LEU 13 1.810 -10.599 2.245 99 HD23 LEU 13 HD23 LEU 13 3.333 -9.774 2.579 100 H ASP 14 HN ASP 14 2.340 -10.500 -3.656 101 HA ASP 14 HA ASP 14 4.974 -9.316 -3.623 102 HB2 ASP 14 HB2 ASP 14 3.989 -11.670 -4.601 103 HB3 ASP 14 HB1 ASP 14 4.111 -10.744 -6.075 104 H ALA 15 HN ALA 15 1.957 -8.821 -5.226 105 HA ALA 15 HA ALA 15 3.009 -7.314 -7.422 106 HB1 ALA 15 HB1 ALA 15 0.681 -6.918 -8.006 107 HB2 ALA 15 HB2 ALA 15 0.163 -7.536 -6.437 108 HB3 ALA 15 HB3 ALA 15 0.925 -8.617 -7.604 109 H VAL 16 HN VAL 16 1.649 -6.614 -4.264 110 HA VAL 16 HA VAL 16 1.425 -3.821 -4.680 111 HB VAL 16 HB VAL 16 0.090 -4.744 -2.952 112 HG11 VAL 16 HG11 VAL 16 2.642 -5.665 -1.640 113 HG12 VAL 16 HG12 VAL 16 1.410 -6.690 -2.379 114 HG13 VAL 16 HG13 VAL 16 1.033 -5.767 -0.921 115 HG21 VAL 16 HG21 VAL 16 2.322 -3.105 -1.755 116 HG22 VAL 16 HG22 VAL 16 0.731 -3.347 -1.028 117 HG23 VAL 16 HG23 VAL 16 0.879 -2.480 -2.558 118 H MET 17 HN MET 17 3.932 -5.841 -3.201 119 HA MET 17 HA MET 17 5.481 -3.740 -2.186 120 HB2 MET 17 HB2 MET 17 6.392 -6.478 -3.122 121 HB3 MET 17 HB1 MET 17 7.363 -5.355 -2.201 122 HG2 MET 17 HG2 MET 17 5.721 -5.470 -0.369 123 HG3 MET 17 HG1 MET 17 4.840 -6.678 -1.296 124 HE1 MET 17 HE1 MET 17 4.959 -8.377 0.745 125 HE2 MET 17 HE2 MET 17 5.832 -7.175 1.701 126 HE3 MET 17 HE3 MET 17 6.460 -8.818 1.560 127 H ARG 18 HN ARG 18 5.313 -5.146 -5.403 128 HA ARG 18 HA ARG 18 7.721 -3.945 -6.306 129 HB2 ARG 18 HB2 ARG 18 7.210 -4.755 -8.457 130 HB3 ARG 18 HB1 ARG 18 6.666 -5.980 -7.325 131 HG2 ARG 18 HG2 ARG 18 4.375 -5.124 -7.555 132 HG3 ARG 18 HG1 ARG 18 4.952 -3.975 -8.763 133 HD2 ARG 18 HD2 ARG 18 5.777 -5.870 -10.109 134 HD3 ARG 18 HD1 ARG 18 5.078 -6.972 -8.927 135 HE ARG 18 HE ARG 18 3.109 -5.174 -9.872 136 HH11 ARG 18 HH11 ARG 18 4.952 -7.988 -10.804 137 HH12 ARG 18 HH12 ARG 18 3.794 -8.526 -11.984 138 HH21 ARG 18 HH21 ARG 18 1.565 -5.844 -11.446 139 HH22 ARG 18 HH22 ARG 18 1.881 -7.296 -12.365 140 H VAL 19 HN VAL 19 4.374 -2.913 -6.178 141 HA VAL 19 HA VAL 19 4.769 -0.687 -7.971 142 HB VAL 19 HB VAL 19 2.516 -1.387 -6.065 143 HG11 VAL 19 HG11 VAL 19 1.218 0.403 -7.031 144 HG12 VAL 19 HG12 VAL 19 2.555 0.866 -8.072 145 HG13 VAL 19 HG13 VAL 19 2.689 1.068 -6.324 146 HG21 VAL 19 HG21 VAL 19 1.285 -1.941 -8.058 147 HG22 VAL 19 HG22 VAL 19 2.818 -2.811 -8.069 148 HG23 VAL 19 HG23 VAL 19 2.608 -1.382 -9.078 149 H VAL 20 HN VAL 20 4.796 -1.348 -4.569 150 HA VAL 20 HA VAL 20 5.174 1.310 -3.656 151 HB VAL 20 HB VAL 20 5.736 -1.420 -2.474 152 HG11 VAL 20 HG11 VAL 20 7.528 0.048 -1.677 153 HG12 VAL 20 HG12 VAL 20 6.401 -0.355 -0.382 154 HG13 VAL 20 HG13 VAL 20 6.327 1.231 -1.152 155 HG21 VAL 20 HG21 VAL 20 4.030 -0.678 -0.836 156 HG22 VAL 20 HG22 VAL 20 3.413 -0.692 -2.487 157 HG23 VAL 20 HG23 VAL 20 3.863 0.833 -1.726 158 H SER 21 HN SER 21 7.356 -1.284 -4.703 159 HA SER 21 HA SER 21 9.783 -0.058 -3.992 160 HB2 SER 21 HB2 SER 21 9.385 -2.493 -4.703 161 HB3 SER 21 HB1 SER 21 9.424 -1.914 -6.364 162 HG SER 21 HG SER 21 11.509 -1.227 -4.611 163 H GLU 22 HN GLU 22 7.581 0.617 -6.570 164 HA GLU 22 HA GLU 22 9.520 1.814 -8.321 165 HB2 GLU 22 HB2 GLU 22 6.509 1.778 -8.344 166 HB3 GLU 22 HB1 GLU 22 7.488 2.479 -9.620 167 HG2 GLU 22 HG2 GLU 22 8.033 -0.327 -8.884 168 HG3 GLU 22 HG1 GLU 22 6.520 0.010 -9.718 169 H GLU 23 HN GLU 23 6.909 2.920 -6.220 170 HA GLU 23 HA GLU 23 7.327 5.652 -7.036 171 HB2 GLU 23 HB2 GLU 23 5.354 4.479 -5.057 172 HB3 GLU 23 HB1 GLU 23 5.315 6.125 -5.674 173 HG2 GLU 23 HG2 GLU 23 4.911 3.579 -7.221 174 HG3 GLU 23 HG1 GLU 23 3.698 4.792 -6.846 175 H SER 24 HN SER 24 8.019 3.691 -4.207 176 HA SER 24 HA SER 24 8.657 5.957 -2.536 177 HB2 SER 24 HB2 SER 24 9.458 4.281 -0.935 178 HB3 SER 24 HB1 SER 24 7.858 3.859 -1.540 179 HG SER 24 HG SER 24 8.705 2.244 -2.728 180 H GLY 25 HN GLY 25 10.411 3.736 -4.609 181 HA2 GLY 25 HA2 GLY 25 12.569 4.160 -5.534 182 HA3 GLY 25 HA1 GLY 25 12.823 5.386 -4.293 183 H ILE 26 HN ILE 26 11.503 2.533 -3.079 184 HA ILE 26 HA ILE 26 14.123 1.708 -2.030 185 HB ILE 26 HB ILE 26 11.456 0.751 -0.989 186 HG12 ILE 26 HG12 ILE 26 12.966 3.099 0.187 187 HG13 ILE 26 HG11 ILE 26 11.634 3.314 -0.951 188 HG21 ILE 26 HG21 ILE 26 12.733 0.342 1.057 189 HG22 ILE 26 HG22 ILE 26 14.178 0.994 0.286 190 HG23 ILE 26 HG23 ILE 26 13.448 -0.492 -0.324 191 HD11 ILE 26 HD11 ILE 26 11.466 1.909 1.712 192 HD12 ILE 26 HD12 ILE 26 10.126 2.195 0.599 193 HD13 ILE 26 HD13 ILE 26 10.929 3.557 1.384 194 H ALA 27 HN ALA 27 14.986 0.120 -3.192 195 HA ALA 27 HA ALA 27 13.751 -1.561 -5.014 196 HB1 ALA 27 HB1 ALA 27 15.771 -2.938 -4.856 197 HB2 ALA 27 HB2 ALA 27 16.210 -2.124 -3.355 198 HB3 ALA 27 HB3 ALA 27 16.177 -1.221 -4.870 199 H LEU 28 HN LEU 28 12.979 -3.642 -4.974 200 HA LEU 28 HA LEU 28 11.335 -4.428 -2.888 201 HB2 LEU 28 HB2 LEU 28 11.186 -5.192 -5.226 202 HB3 LEU 28 HB1 LEU 28 12.644 -6.137 -5.015 203 HG LEU 28 HG LEU 28 11.348 -7.416 -3.210 204 HD11 LEU 28 HD11 LEU 28 9.089 -5.972 -4.575 205 HD12 LEU 28 HD12 LEU 28 9.485 -5.979 -2.856 206 HD13 LEU 28 HD13 LEU 28 8.879 -7.446 -3.626 207 HD21 LEU 28 HD21 LEU 28 10.332 -8.870 -4.884 208 HD22 LEU 28 HD22 LEU 28 11.942 -8.341 -5.376 209 HD23 LEU 28 HD23 LEU 28 10.512 -7.600 -6.095 210 H GLU 29 HN GLU 29 14.696 -5.210 -3.495 211 HA GLU 29 HA GLU 29 14.905 -7.323 -1.586 212 HB2 GLU 29 HB2 GLU 29 17.115 -5.626 -2.748 213 HB3 GLU 29 HB1 GLU 29 17.271 -7.205 -1.993 214 HG2 GLU 29 HG2 GLU 29 15.515 -6.885 -4.383 215 HG3 GLU 29 HG1 GLU 29 17.267 -7.031 -4.577 216 H GLU 30 HN GLU 30 14.877 -3.921 -1.328 217 HA GLU 30 HA GLU 30 16.143 -4.014 1.342 218 HB2 GLU 30 HB2 GLU 30 15.553 -1.568 -0.335 219 HB3 GLU 30 HB1 GLU 30 16.467 -1.621 1.167 220 HG2 GLU 30 HG2 GLU 30 18.099 -3.119 -0.104 221 HG3 GLU 30 HG1 GLU 30 17.266 -2.553 -1.557 222 H LEU 31 HN LEU 31 13.224 -4.186 -0.069 223 HA LEU 31 HA LEU 31 11.811 -2.236 1.475 224 HB2 LEU 31 HB2 LEU 31 11.197 -3.837 -0.734 225 HB3 LEU 31 HB1 LEU 31 10.161 -4.471 0.539 226 HG LEU 31 HG LEU 31 10.147 -1.802 -0.790 227 HD11 LEU 31 HD11 LEU 31 8.591 -3.510 -1.498 228 HD12 LEU 31 HD12 LEU 31 7.726 -2.187 -0.715 229 HD13 LEU 31 HD13 LEU 31 8.006 -3.696 0.155 230 HD21 LEU 31 HD21 LEU 31 9.178 -2.275 2.028 231 HD22 LEU 31 HD22 LEU 31 8.768 -0.876 1.035 232 HD23 LEU 31 HD23 LEU 31 10.443 -1.156 1.512 233 H THR 32 HN THR 32 12.120 -2.495 3.582 234 HA THR 32 HA THR 32 11.496 -5.108 4.764 235 HB THR 32 HB THR 32 12.661 -4.339 6.758 236 HG1 THR 32 HG1 THR 32 13.803 -2.204 6.514 237 HG21 THR 32 HG21 THR 32 14.227 -3.867 4.203 238 HG22 THR 32 HG22 THR 32 14.124 -5.362 5.140 239 HG23 THR 32 HG23 THR 32 14.964 -3.961 5.803 240 H ASP 33 HN ASP 33 10.091 -5.133 6.635 241 HA ASP 33 HA ASP 33 7.886 -3.332 6.170 242 HB2 ASP 33 HB2 ASP 33 8.225 -5.805 7.834 243 HB3 ASP 33 HB1 ASP 33 6.808 -4.777 8.019 244 H ASP 34 HN ASP 34 10.573 -3.134 8.024 245 HA ASP 34 HA ASP 34 9.275 -1.743 10.236 246 HB2 ASP 34 HB2 ASP 34 12.180 -2.407 9.720 247 HB3 ASP 34 HB1 ASP 34 11.597 -1.531 11.137 248 H SER 35 HN SER 35 10.275 -1.046 7.174 249 HA SER 35 HA SER 35 11.306 1.617 7.600 250 HB2 SER 35 HB2 SER 35 10.113 0.341 5.117 251 HB3 SER 35 HB1 SER 35 10.970 1.880 5.163 252 HG SER 35 HG SER 35 12.046 -0.668 5.830 253 H ASN 36 HN ASN 36 10.222 3.541 6.888 254 HA ASN 36 HA ASN 36 7.331 3.421 7.464 255 HB2 ASN 36 HB2 ASN 36 8.780 4.235 9.380 256 HB3 ASN 36 HB1 ASN 36 9.232 5.592 8.364 257 HD21 ASN 36 HD21 ASN 36 6.693 4.219 10.330 258 HD22 ASN 36 HD22 ASN 36 5.649 5.587 10.245 259 H PHE 37 HN PHE 37 6.132 4.339 5.917 260 HA PHE 37 HA PHE 37 7.186 5.306 3.529 261 HB2 PHE 37 HB2 PHE 37 4.465 5.470 4.779 262 HB3 PHE 37 HB1 PHE 37 4.797 6.302 3.260 263 HD1 PHE 37 HD1 PHE 37 6.041 4.768 1.453 264 HD2 PHE 37 HD2 PHE 37 3.670 3.358 4.687 265 HE1 PHE 37 HE1 PHE 37 5.638 2.655 0.233 266 HE2 PHE 37 HE2 PHE 37 3.268 1.262 3.499 267 HZ PHE 37 HZ PHE 37 4.398 0.924 1.177 268 H ALA 38 HN ALA 38 5.806 7.138 6.261 269 HA ALA 38 HA ALA 38 6.233 9.685 5.072 270 HB1 ALA 38 HB1 ALA 38 5.803 8.945 7.962 271 HB2 ALA 38 HB2 ALA 38 4.550 9.345 6.786 272 HB3 ALA 38 HB3 ALA 38 5.709 10.575 7.295 273 H ASP 39 HN ASP 39 8.188 7.596 7.080 274 HA ASP 39 HA ASP 39 10.147 9.565 7.764 275 HB2 ASP 39 HB2 ASP 39 9.866 7.554 9.127 276 HB3 ASP 39 HB1 ASP 39 10.287 6.541 7.750 277 H MET 40 HN MET 40 9.577 7.517 5.044 278 HA MET 40 HA MET 40 12.289 7.759 4.051 279 HB2 MET 40 HB2 MET 40 9.845 6.353 3.041 280 HB3 MET 40 HB1 MET 40 11.288 6.520 2.046 281 HG2 MET 40 HG2 MET 40 11.339 5.357 4.803 282 HG3 MET 40 HG1 MET 40 11.083 4.375 3.356 283 HE1 MET 40 HE1 MET 40 13.187 2.897 4.165 284 HE2 MET 40 HE2 MET 40 13.448 3.960 5.550 285 HE3 MET 40 HE3 MET 40 14.788 3.570 4.469 286 H GLY 41 HN GLY 41 9.455 9.559 3.910 287 HA2 GLY 41 HA2 GLY 41 9.502 11.776 2.964 288 HA3 GLY 41 HA1 GLY 41 10.626 11.189 1.746 289 H ILE 42 HN ILE 42 7.873 9.228 2.456 290 HA ILE 42 HA ILE 42 6.844 9.549 -0.185 291 HB ILE 42 HB ILE 42 5.686 8.175 2.249 292 HG12 ILE 42 HG12 ILE 42 7.765 7.240 1.199 293 HG13 ILE 42 HG11 ILE 42 6.384 6.140 1.200 294 HG21 ILE 42 HG21 ILE 42 3.838 8.848 0.887 295 HG22 ILE 42 HG22 ILE 42 4.100 7.117 0.657 296 HG23 ILE 42 HG23 ILE 42 4.639 8.263 -0.573 297 HD11 ILE 42 HD11 ILE 42 5.960 6.693 -1.148 298 HD12 ILE 42 HD12 ILE 42 7.572 6.024 -0.896 299 HD13 ILE 42 HD13 ILE 42 7.367 7.759 -1.135 300 H ASP 43 HN ASP 43 5.975 11.413 -0.756 301 HA ASP 43 HA ASP 43 4.416 12.972 1.151 302 HB2 ASP 43 HB2 ASP 43 5.391 13.524 -1.645 303 HB3 ASP 43 HB1 ASP 43 4.323 14.624 -0.777 304 H SER 44 HN SER 44 2.549 14.205 -0.094 305 HA SER 44 HA SER 44 0.402 12.473 -0.337 306 HB2 SER 44 HB2 SER 44 0.083 14.802 0.135 307 HB3 SER 44 HB1 SER 44 0.802 15.268 -1.406 308 H LEU 45 HN LEU 45 2.284 14.063 -2.884 309 HA LEU 45 HA LEU 45 0.978 13.155 -5.140 310 HB2 LEU 45 HB2 LEU 45 2.924 14.771 -5.017 311 HB3 LEU 45 HB1 LEU 45 3.989 13.391 -4.845 312 HG LEU 45 HG LEU 45 3.843 14.469 -7.137 313 HD11 LEU 45 HD11 LEU 45 3.970 12.339 -8.323 314 HD12 LEU 45 HD12 LEU 45 3.280 11.517 -6.923 315 HD13 LEU 45 HD13 LEU 45 4.862 12.292 -6.803 316 HD21 LEU 45 HD21 LEU 45 1.196 13.025 -7.177 317 HD22 LEU 45 HD22 LEU 45 1.988 13.766 -8.568 318 HD23 LEU 45 HD23 LEU 45 1.435 14.772 -7.229 319 H SER 46 HN SER 46 3.754 11.522 -3.582 320 HA SER 46 HA SER 46 3.713 9.326 -5.367 321 HB2 SER 46 HB2 SER 46 5.718 10.063 -4.083 322 HB3 SER 46 HB1 SER 46 4.952 9.475 -2.607 323 HG SER 46 HG SER 46 5.840 7.996 -4.854 324 H SER 47 HN SER 47 2.486 9.726 -2.072 325 HA SER 47 HA SER 47 1.746 7.034 -1.716 326 HB2 SER 47 HB2 SER 47 0.393 7.921 0.183 327 HB3 SER 47 HB1 SER 47 2.067 8.481 0.179 328 HG SER 47 HG SER 47 1.422 10.465 -0.471 329 H MET 48 HN MET 48 0.099 9.754 -3.149 330 HA MET 48 HA MET 48 -2.476 8.507 -3.254 331 HB2 MET 48 HB2 MET 48 -2.019 11.002 -3.360 332 HB3 MET 48 HB1 MET 48 -1.443 10.743 -5.000 333 HG2 MET 48 HG2 MET 48 -3.753 11.532 -4.974 334 HG3 MET 48 HG1 MET 48 -3.624 9.914 -5.662 335 HE1 MET 48 HE1 MET 48 -6.289 9.681 -5.386 336 HE2 MET 48 HE2 MET 48 -6.350 11.292 -4.668 337 HE3 MET 48 HE3 MET 48 -7.125 9.932 -3.853 338 H VAL 49 HN VAL 49 0.253 8.948 -5.423 339 HA VAL 49 HA VAL 49 -0.792 7.783 -7.735 340 HB VAL 49 HB VAL 49 2.038 7.967 -6.672 341 HG11 VAL 49 HG11 VAL 49 2.848 7.231 -8.856 342 HG12 VAL 49 HG12 VAL 49 1.195 6.905 -9.375 343 HG13 VAL 49 HG13 VAL 49 1.912 5.962 -8.068 344 HG21 VAL 49 HG21 VAL 49 0.993 10.069 -7.411 345 HG22 VAL 49 HG22 VAL 49 0.653 9.350 -8.985 346 HG23 VAL 49 HG23 VAL 49 2.320 9.604 -8.473 347 H ILE 50 HN ILE 50 1.176 6.235 -5.167 348 HA ILE 50 HA ILE 50 1.173 3.644 -6.032 349 HB ILE 50 HB ILE 50 0.828 4.538 -3.166 350 HG12 ILE 50 HG12 ILE 50 3.342 3.961 -4.750 351 HG13 ILE 50 HG11 ILE 50 2.757 5.569 -4.333 352 HG21 ILE 50 HG21 ILE 50 1.883 2.392 -2.603 353 HG22 ILE 50 HG22 ILE 50 1.884 1.953 -4.312 354 HG23 ILE 50 HG23 ILE 50 0.357 2.167 -3.458 355 HD11 ILE 50 HD11 ILE 50 3.582 3.447 -2.369 356 HD12 ILE 50 HD12 ILE 50 3.051 5.083 -1.981 357 HD13 ILE 50 HD13 ILE 50 4.556 4.832 -2.866 358 H GLY 51 HN GLY 51 -1.313 5.107 -3.914 359 HA2 GLY 51 HA2 GLY 51 -2.992 2.865 -3.783 360 HA3 GLY 51 HA1 GLY 51 -3.509 4.527 -3.542 361 H SER 52 HN SER 52 -2.807 5.444 -6.168 362 HA SER 52 HA SER 52 -5.150 4.664 -7.585 363 HB2 SER 52 HB2 SER 52 -2.828 6.046 -8.967 364 HB3 SER 52 HB1 SER 52 -4.534 6.184 -9.339 365 HG SER 52 HG SER 52 -3.606 7.012 -6.808 366 H ARG 53 HN ARG 53 -1.731 3.808 -7.910 367 HA ARG 53 HA ARG 53 -2.071 2.363 -10.325 368 HB2 ARG 53 HB2 ARG 53 0.132 1.977 -8.293 369 HB3 ARG 53 HB1 ARG 53 0.170 1.516 -9.989 370 HG2 ARG 53 HG2 ARG 53 -0.235 4.081 -10.369 371 HG3 ARG 53 HG1 ARG 53 0.428 4.208 -8.742 372 HD2 ARG 53 HD2 ARG 53 2.463 4.157 -9.668 373 HD3 ARG 53 HD1 ARG 53 2.152 2.465 -10.059 374 HE ARG 53 HE ARG 53 1.014 3.673 -12.143 375 HH11 ARG 53 HH11 ARG 53 4.142 4.293 -10.664 376 HH12 ARG 53 HH12 ARG 53 4.869 4.781 -12.163 377 HH21 ARG 53 HH21 ARG 53 1.980 4.274 -14.088 378 HH22 ARG 53 HH22 ARG 53 3.658 4.730 -14.123 379 H PHE 54 HN PHE 54 -2.628 1.585 -6.997 380 HA PHE 54 HA PHE 54 -2.697 -1.230 -7.111 381 HB2 PHE 54 HB2 PHE 54 -4.328 0.787 -5.546 382 HB3 PHE 54 HB1 PHE 54 -4.570 -0.943 -5.375 383 HD1 PHE 54 HD1 PHE 54 -1.298 -0.925 -5.986 384 HD2 PHE 54 HD2 PHE 54 -3.978 0.454 -3.001 385 HE1 PHE 54 HE1 PHE 54 0.522 -0.988 -4.342 386 HE2 PHE 54 HE2 PHE 54 -2.166 0.370 -1.330 387 HZ PHE 54 HZ PHE 54 0.007 -0.400 -1.923 388 H ARG 55 HN ARG 55 -5.009 1.230 -8.027 389 HA ARG 55 HA ARG 55 -7.116 -0.557 -8.751 390 HB2 ARG 55 HB2 ARG 55 -6.666 2.317 -9.586 391 HB3 ARG 55 HB1 ARG 55 -8.177 1.428 -9.678 392 HG2 ARG 55 HG2 ARG 55 -6.885 1.692 -7.018 393 HG3 ARG 55 HG1 ARG 55 -7.670 3.110 -7.718 394 HD2 ARG 55 HD2 ARG 55 -8.909 0.423 -7.168 395 HD3 ARG 55 HD1 ARG 55 -9.261 1.948 -6.355 396 HE ARG 55 HE ARG 55 -10.071 2.705 -8.627 397 HH11 ARG 55 HH11 ARG 55 -10.143 -0.657 -7.653 398 HH12 ARG 55 HH12 ARG 55 -11.453 -1.076 -8.716 399 HH21 ARG 55 HH21 ARG 55 -11.781 2.158 -10.057 400 HH22 ARG 55 HH22 ARG 55 -12.408 0.536 -10.060 401 H GLU 56 HN GLU 56 -4.309 0.741 -10.315 402 HA GLU 56 HA GLU 56 -5.328 0.397 -12.982 403 HB2 GLU 56 HB2 GLU 56 -2.524 1.008 -12.051 404 HB3 GLU 56 HB1 GLU 56 -3.093 1.115 -13.707 405 HG2 GLU 56 HG2 GLU 56 -4.705 2.872 -12.943 406 HG3 GLU 56 HG1 GLU 56 -3.892 2.830 -11.375 407 H ASP 57 HN ASP 57 -2.533 -0.988 -11.267 408 HA ASP 57 HA ASP 57 -2.160 -2.864 -13.440 409 HB2 ASP 57 HB2 ASP 57 -0.233 -1.714 -12.428 410 HB3 ASP 57 HB1 ASP 57 -0.579 -2.488 -10.887 411 H LEU 58 HN LEU 58 -3.252 -2.918 -10.128 412 HA LEU 58 HA LEU 58 -3.269 -5.836 -10.121 413 HB2 LEU 58 HB2 LEU 58 -3.557 -3.773 -7.954 414 HB3 LEU 58 HB1 LEU 58 -3.977 -5.451 -7.678 415 HG LEU 58 HG LEU 58 -1.675 -6.133 -8.170 416 HD11 LEU 58 HD11 LEU 58 -1.057 -3.193 -8.414 417 HD12 LEU 58 HD12 LEU 58 -1.138 -4.330 -9.759 418 HD13 LEU 58 HD13 LEU 58 0.090 -4.530 -8.509 419 HD21 LEU 58 HD21 LEU 58 -1.871 -3.930 -6.122 420 HD22 LEU 58 HD22 LEU 58 -0.607 -5.159 -6.195 421 HD23 LEU 58 HD23 LEU 58 -2.276 -5.631 -5.872 422 H GLY 59 HN GLY 59 -5.420 -3.075 -9.842 423 HA2 GLY 59 HA2 GLY 59 -7.678 -3.007 -10.465 424 HA3 GLY 59 HA1 GLY 59 -7.666 -4.762 -10.589 425 H LEU 60 HN LEU 60 -6.584 -2.852 -7.837 426 HA LEU 60 HA LEU 60 -8.198 -4.458 -6.074 427 HB2 LEU 60 HB2 LEU 60 -6.379 -2.108 -5.578 428 HB3 LEU 60 HB1 LEU 60 -7.207 -2.977 -4.304 429 HG LEU 60 HG LEU 60 -5.167 -4.179 -6.181 430 HD11 LEU 60 HD11 LEU 60 -4.949 -3.358 -3.289 431 HD12 LEU 60 HD12 LEU 60 -4.129 -2.608 -4.659 432 HD13 LEU 60 HD13 LEU 60 -3.729 -4.263 -4.186 433 HD21 LEU 60 HD21 LEU 60 -6.786 -5.821 -5.460 434 HD22 LEU 60 HD22 LEU 60 -6.597 -5.311 -3.783 435 HD23 LEU 60 HD23 LEU 60 -5.256 -6.086 -4.622 436 H ASP 61 HN ASP 61 -10.137 -3.907 -5.155 437 HA ASP 61 HA ASP 61 -11.356 -1.413 -5.976 438 HB2 ASP 61 HB2 ASP 61 -12.343 -3.956 -4.808 439 HB3 ASP 61 HB1 ASP 61 -13.264 -2.497 -4.440 440 H LEU 62 HN LEU 62 -9.853 -0.115 -4.760 441 HA LEU 62 HA LEU 62 -10.288 -0.068 -1.866 442 HB2 LEU 62 HB2 LEU 62 -8.530 1.700 -3.568 443 HB3 LEU 62 HB1 LEU 62 -8.527 1.612 -1.819 444 HG LEU 62 HG LEU 62 -7.736 -0.665 -3.632 445 HD11 LEU 62 HD11 LEU 62 -5.449 -0.122 -3.016 446 HD12 LEU 62 HD12 LEU 62 -6.016 1.268 -2.090 447 HD13 LEU 62 HD13 LEU 62 -6.214 1.234 -3.841 448 HD21 LEU 62 HD21 LEU 62 -8.535 -1.389 -1.451 449 HD22 LEU 62 HD22 LEU 62 -7.444 -0.251 -0.659 450 HD23 LEU 62 HD23 LEU 62 -6.788 -1.607 -1.576 451 H GLY 63 HN GLY 63 -10.260 2.235 -4.535 452 HA2 GLY 63 HA2 GLY 63 -12.615 3.471 -4.506 453 HA3 GLY 63 HA1 GLY 63 -11.869 4.112 -3.045 454 HA PRO 64 HA PRO 64 -10.211 6.465 -6.728 455 HB2 PRO 64 HB2 PRO 64 -11.521 8.801 -6.468 456 HB3 PRO 64 HB1 PRO 64 -12.192 7.446 -7.402 457 HG2 PRO 64 HG2 PRO 64 -12.835 8.363 -4.631 458 HG3 PRO 64 HG1 PRO 64 -13.929 7.759 -5.889 459 HD2 PRO 64 HD2 PRO 64 -12.999 6.279 -3.764 460 HD3 PRO 64 HD1 PRO 64 -13.565 5.579 -5.292 461 H GLU 65 HN GLU 65 -10.803 7.158 -3.372 462 HA GLU 65 HA GLU 65 -8.555 9.044 -3.368 463 HB2 GLU 65 HB2 GLU 65 -10.732 10.137 -2.920 464 HB3 GLU 65 HB1 GLU 65 -10.961 9.069 -1.540 465 HG2 GLU 65 HG2 GLU 65 -9.008 10.027 -0.453 466 HG3 GLU 65 HG1 GLU 65 -8.742 11.086 -1.837 467 H PHE 66 HN PHE 66 -7.471 6.891 -3.138 468 HA PHE 66 HA PHE 66 -7.263 6.208 -0.272 469 HB2 PHE 66 HB2 PHE 66 -7.738 4.323 -1.887 470 HB3 PHE 66 HB1 PHE 66 -6.163 4.631 -2.614 471 HD1 PHE 66 HD2 PHE 66 -7.919 3.406 0.358 472 HD2 PHE 66 HD1 PHE 66 -4.146 3.969 -1.527 473 HE1 PHE 66 HE2 PHE 66 -6.871 1.931 2.025 474 HE2 PHE 66 HE1 PHE 66 -3.092 2.499 0.128 475 HZ PHE 66 HZ PHE 66 -4.486 1.423 1.886 476 H SER 67 HN SER 67 -5.720 7.328 0.697 477 HA SER 67 HA SER 67 -3.256 7.924 -0.806 478 HB2 SER 67 HB2 SER 67 -4.398 9.629 1.415 479 HB3 SER 67 HB1 SER 67 -3.124 10.053 0.271 480 HG SER 67 HG SER 67 -4.739 9.930 -1.397 481 H LEU 68 HN LEU 68 -1.568 6.852 -0.013 482 HA LEU 68 HA LEU 68 -1.568 5.507 2.467 483 HB2 LEU 68 HB2 LEU 68 0.720 6.276 0.665 484 HB3 LEU 68 HB1 LEU 68 0.886 5.248 2.071 485 HG LEU 68 HG LEU 68 -0.696 4.646 -0.424 486 HD11 LEU 68 HD11 LEU 68 1.857 3.592 0.766 487 HD12 LEU 68 HD12 LEU 68 1.610 4.325 -0.825 488 HD13 LEU 68 HD13 LEU 68 0.946 2.725 -0.471 489 HD21 LEU 68 HD21 LEU 68 -1.106 2.459 0.638 490 HD22 LEU 68 HD22 LEU 68 -1.874 3.792 1.502 491 HD23 LEU 68 HD23 LEU 68 -0.389 3.074 2.128 492 H PHE 69 HN PHE 69 -0.736 8.723 1.572 493 HA PHE 69 HA PHE 69 0.946 9.346 3.782 494 HB2 PHE 69 HB2 PHE 69 0.815 10.550 1.554 495 HB3 PHE 69 HB1 PHE 69 -0.703 11.256 2.094 496 HD1 PHE 69 HD1 PHE 69 2.234 10.695 4.267 497 HD2 PHE 69 HD2 PHE 69 -0.050 13.498 2.029 498 HE1 PHE 69 HE1 PHE 69 3.476 12.545 5.321 499 HE2 PHE 69 HE2 PHE 69 1.180 15.351 3.079 500 HZ PHE 69 HZ PHE 69 2.946 14.873 4.730 501 H ILE 70 HN ILE 70 -2.286 8.587 3.656 502 HA ILE 70 HA ILE 70 -2.876 10.217 6.043 503 HB ILE 70 HB ILE 70 -4.858 9.467 3.854 504 HG12 ILE 70 HG12 ILE 70 -3.811 12.153 4.789 505 HG13 ILE 70 HG11 ILE 70 -3.396 11.361 3.275 506 HG21 ILE 70 HG21 ILE 70 -5.863 9.325 6.087 507 HG22 ILE 70 HG22 ILE 70 -6.519 10.669 5.153 508 HG23 ILE 70 HG23 ILE 70 -5.336 10.974 6.424 509 HD11 ILE 70 HD11 ILE 70 -6.138 12.318 4.057 510 HD12 ILE 70 HD12 ILE 70 -5.712 11.519 2.542 511 HD13 ILE 70 HD13 ILE 70 -5.039 13.105 2.921 512 H ASP 71 HN ASP 71 -3.393 7.140 4.355 513 HA ASP 71 HA ASP 71 -4.822 6.135 6.725 514 HB2 ASP 71 HB2 ASP 71 -5.647 6.127 4.155 515 HB3 ASP 71 HB1 ASP 71 -4.848 4.559 4.215 516 H CYS 72 HN CYS 72 -1.744 6.143 5.893 517 HA CYS 72 HA CYS 72 -1.215 3.538 7.023 518 HB2 CYS 72 HB2 CYS 72 -0.364 4.218 4.201 519 HB3 CYS 72 HB1 CYS 72 0.358 2.921 5.146 520 HG CYS 72 HG CYS 72 -2.878 2.513 5.234 521 H THR 73 HN THR 73 1.074 3.265 7.547 522 HA THR 73 HA THR 73 2.549 5.807 7.623 523 HB THR 73 HB THR 73 3.098 5.450 9.984 524 HG1 THR 73 HG1 THR 73 1.314 3.656 10.760 525 HG21 THR 73 HG21 THR 73 0.792 5.759 10.924 526 HG22 THR 73 HG22 THR 73 0.161 5.371 9.316 527 HG23 THR 73 HG23 THR 73 1.169 6.801 9.547 528 H THR 74 HN THR 74 3.128 2.513 8.950 529 HA THR 74 HA THR 74 5.762 2.507 7.745 530 HB THR 74 HB THR 74 6.032 0.286 8.764 531 HG1 THR 74 HG1 THR 74 3.794 0.276 10.306 532 HG21 THR 74 HG21 THR 74 6.556 2.241 10.111 533 HG22 THR 74 HG22 THR 74 5.879 0.960 11.119 534 HG23 THR 74 HG23 THR 74 4.880 2.335 10.650 535 H VAL 75 HN VAL 75 6.221 -0.013 6.826 536 HA VAL 75 HA VAL 75 4.759 0.127 4.318 537 HB VAL 75 HB VAL 75 6.625 -2.102 4.615 538 HG11 VAL 75 HG11 VAL 75 6.389 0.170 2.660 539 HG12 VAL 75 HG12 VAL 75 5.744 -1.462 2.472 540 HG13 VAL 75 HG13 VAL 75 7.488 -1.197 2.492 541 HG21 VAL 75 HG21 VAL 75 7.639 0.708 4.910 542 HG22 VAL 75 HG22 VAL 75 8.646 -0.685 4.508 543 HG23 VAL 75 HG23 VAL 75 7.811 -0.618 6.060 544 H ARG 76 HN ARG 76 5.403 -2.054 6.937 545 HA ARG 76 HA ARG 76 3.837 -4.223 6.238 546 HB2 ARG 76 HB2 ARG 76 5.492 -4.045 8.096 547 HB3 ARG 76 HB1 ARG 76 4.293 -3.152 9.017 548 HG2 ARG 76 HG2 ARG 76 4.275 -5.401 9.736 549 HG3 ARG 76 HG1 ARG 76 2.788 -5.119 8.826 550 HD2 ARG 76 HD2 ARG 76 3.686 -6.227 6.899 551 HD3 ARG 76 HD1 ARG 76 5.272 -6.367 7.660 552 HE ARG 76 HE ARG 76 2.926 -7.709 8.834 553 HH11 ARG 76 HH11 ARG 76 6.100 -7.867 7.328 554 HH12 ARG 76 HH12 ARG 76 6.383 -9.513 7.817 555 HH21 ARG 76 HH21 ARG 76 3.294 -9.894 9.430 556 HH22 ARG 76 HH22 ARG 76 4.770 -10.675 8.958 557 H ALA 77 HN ALA 77 2.957 -1.108 7.613 558 HA ALA 77 HA ALA 77 0.364 -1.692 8.475 559 HB1 ALA 77 HB1 ALA 77 1.402 0.873 7.259 560 HB2 ALA 77 HB2 ALA 77 1.450 0.430 8.966 561 HB3 ALA 77 HB3 ALA 77 -0.099 0.706 8.173 562 H LEU 78 HN LEU 78 1.634 -1.163 5.262 563 HA LEU 78 HA LEU 78 -0.936 -0.955 3.976 564 HB2 LEU 78 HB2 LEU 78 1.634 -0.368 3.261 565 HB3 LEU 78 HB1 LEU 78 1.385 -1.870 2.405 566 HG LEU 78 HG LEU 78 -0.440 0.502 2.139 567 HD11 LEU 78 HD11 LEU 78 1.769 1.168 1.459 568 HD12 LEU 78 HD12 LEU 78 0.782 0.912 0.020 569 HD13 LEU 78 HD13 LEU 78 1.965 -0.302 0.509 570 HD21 LEU 78 HD21 LEU 78 -1.416 -1.619 1.459 571 HD22 LEU 78 HD22 LEU 78 -0.026 -1.936 0.415 572 HD23 LEU 78 HD23 LEU 78 -1.103 -0.580 0.068 573 H LYS 79 HN LYS 79 1.516 -3.378 4.460 574 HA LYS 79 HA LYS 79 0.429 -5.524 3.027 575 HB2 LYS 79 HB2 LYS 79 1.922 -5.885 5.606 576 HB3 LYS 79 HB1 LYS 79 2.021 -6.852 4.141 577 HG2 LYS 79 HG2 LYS 79 2.947 -4.008 4.165 578 HG3 LYS 79 HG1 LYS 79 3.990 -5.288 4.762 579 HD2 LYS 79 HD2 LYS 79 3.934 -6.386 2.620 580 HD3 LYS 79 HD1 LYS 79 2.734 -5.235 2.021 581 HE2 LYS 79 HE2 LYS 79 5.466 -4.430 2.997 582 HE3 LYS 79 HE1 LYS 79 5.107 -4.790 1.298 583 HZ1 LYS 79 HZ1 LYS 79 4.972 -2.437 1.707 584 HZ2 LYS 79 HZ2 LYS 79 3.858 -2.670 2.960 585 HZ3 LYS 79 HZ3 LYS 79 3.424 -3.030 1.364 586 H ASP 80 HN ASP 80 0.222 -4.659 6.432 587 HA ASP 80 HA ASP 80 -1.387 -6.780 7.290 588 HB2 ASP 80 HB2 ASP 80 0.030 -5.202 8.687 589 HB3 ASP 80 HB1 ASP 80 -1.275 -4.033 8.534 590 H PHE 81 HN PHE 81 -2.155 -3.720 5.852 591 HA PHE 81 HA PHE 81 -4.925 -3.702 6.515 592 HB2 PHE 81 HB2 PHE 81 -3.715 -1.638 5.951 593 HB3 PHE 81 HB1 PHE 81 -3.415 -2.249 4.324 594 HD1 PHE 81 HD1 PHE 81 -6.153 -1.323 6.659 595 HD2 PHE 81 HD2 PHE 81 -4.928 -1.822 2.616 596 HE1 PHE 81 HE1 PHE 81 -8.264 -0.315 5.901 597 HE2 PHE 81 HE2 PHE 81 -7.040 -0.814 1.849 598 HZ PHE 81 HZ PHE 81 -8.710 -0.062 3.494 599 H MET 82 HN MET 82 -3.005 -4.830 3.803 600 HA MET 82 HA MET 82 -5.329 -5.359 2.191 601 HB2 MET 82 HB2 MET 82 -2.375 -5.845 1.759 602 HB3 MET 82 HB1 MET 82 -3.593 -6.262 0.542 603 HG2 MET 82 HG2 MET 82 -4.132 -3.585 1.354 604 HG3 MET 82 HG1 MET 82 -2.380 -3.694 1.133 605 HE1 MET 82 HE1 MET 82 -1.764 -5.567 -1.050 606 HE2 MET 82 HE2 MET 82 -1.204 -3.902 -1.204 607 HE3 MET 82 HE3 MET 82 -1.997 -4.698 -2.568 608 H LEU 83 HN LEU 83 -2.952 -7.409 3.910 609 HA LEU 83 HA LEU 83 -4.417 -9.780 3.158 610 HB2 LEU 83 HB2 LEU 83 -2.098 -9.339 5.046 611 HB3 LEU 83 HB1 LEU 83 -2.818 -10.912 4.779 612 HG LEU 83 HG LEU 83 -2.211 -10.626 2.329 613 HD11 LEU 83 HD11 LEU 83 -1.895 -8.222 2.313 614 HD12 LEU 83 HD12 LEU 83 -0.432 -9.058 1.793 615 HD13 LEU 83 HD13 LEU 83 -0.532 -8.385 3.420 616 HD21 LEU 83 HD21 LEU 83 -0.936 -12.089 3.821 617 HD22 LEU 83 HD22 LEU 83 0.025 -10.711 4.361 618 HD23 LEU 83 HD23 LEU 83 0.140 -11.262 2.690 619 H GLY 84 HN GLY 84 -3.906 -7.911 6.116 620 HA2 GLY 84 HA2 GLY 84 -5.490 -7.616 7.849 621 HA3 GLY 84 HA1 GLY 84 -6.422 -8.951 7.184 622 H SER 85 HN SER 85 -5.360 -8.337 9.947 623 HA SER 85 HA SER 85 -3.923 -10.856 10.364 624 HB2 SER 85 HB2 SER 85 -4.065 -8.324 11.999 625 HB3 SER 85 HB1 SER 85 -3.449 -9.835 12.666 626 HG SER 85 HG SER 85 -2.349 -8.152 10.717 627 H GLY 86 HN GLY 86 -6.722 -10.743 9.852 628 HA2 GLY 86 HA2 GLY 86 -7.710 -11.873 12.372 629 HA3 GLY 86 HA1 GLY 86 -8.646 -10.604 11.595 630 H ASP 87 HN ASP 87 -7.205 -13.791 10.962 631 HA ASP 87 HA ASP 87 -9.202 -14.298 8.885 632 HB2 ASP 87 HB2 ASP 87 -6.813 -15.868 9.866 633 HB3 ASP 87 HB1 ASP 87 -7.973 -16.530 8.721 634 H ALA 88 HN ALA 88 -9.850 -14.014 11.754 635 HA ALA 88 HA ALA 88 -10.620 -16.708 12.562 636 HB1 ALA 88 HB1 ALA 88 -11.115 -15.733 14.720 637 HB2 ALA 88 HB2 ALA 88 -10.880 -14.110 14.073 638 HB3 ALA 88 HB3 ALA 88 -9.514 -15.218 14.189 639 H GLY 89 HN GLY 89 -11.935 -14.759 10.472 640 HA2 GLY 89 HA2 GLY 89 -14.669 -15.367 11.378 641 HA3 GLY 89 HA1 GLY 89 -14.283 -13.811 10.654 642 H282 PNS 90 H28A PNS 44 -1.003 14.014 -4.313 643 H281 PNS 90 H28B PNS 44 -2.715 14.183 -3.929 644 H303 PNS 90 H30A PNS 44 -1.058 16.059 -7.357 645 H302 PNS 90 H30B PNS 44 -0.050 15.108 -6.266 646 H301 PNS 90 H30C PNS 44 -0.700 16.661 -5.740 647 H313 PNS 90 H31A PNS 44 -3.246 13.298 -6.198 648 H312 PNS 90 H31B PNS 44 -1.547 13.212 -6.660 649 H311 PNS 90 H31C PNS 44 -2.681 14.142 -7.638 650 H32 PNS 90 H32A PNS 44 -3.176 16.856 -5.200 651 H33 PNS 90 H33A PNS 44 -3.731 15.854 -7.808 652 H36 PNS 90 H36A PNS 44 -5.577 16.303 -6.966 653 H372 PNS 90 H37A PNS 44 -6.995 14.052 -6.058 654 H371 PNS 90 H37B PNS 44 -7.392 15.439 -5.043 655 H382 PNS 90 H38A PNS 44 -7.628 15.404 -8.051 656 H381 PNS 90 H38B PNS 44 -8.955 15.060 -6.949 657 H41 PNS 90 H41A PNS 44 -9.288 16.955 -8.734 658 H422 PNS 90 H42A PNS 44 -10.306 19.133 -7.514 659 H421 PNS 90 H42B PNS 44 -8.635 19.604 -7.836 660 H431 PNS 90 H43A PNS 44 -10.527 18.555 -9.934 661 H432 PNS 90 H43B PNS 44 -8.932 19.267 -10.194 662 H44 PNS 90 H1 PNS 44 -11.723 20.920 -9.091 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -18.003 0.001 14.043 2 H2 ALA 1 HT2 ALA 1 -19.403 0.927 14.242 3 H3 ALA 1 HT3 ALA 1 -19.067 0.215 12.740 4 HA ALA 1 HA ALA 1 -19.661 -1.231 15.252 5 HB1 ALA 1 HB1 ALA 1 -21.338 -0.909 12.768 6 HB2 ALA 1 HB2 ALA 1 -21.621 -0.098 14.310 7 HB3 ALA 1 HB3 ALA 1 -21.757 -1.853 14.197 8 H MET 2 HN MET 2 -19.487 -1.593 11.692 9 HA MET 2 HA MET 2 -18.345 -4.270 12.154 10 HB2 MET 2 HB2 MET 2 -20.592 -4.493 11.270 11 HB3 MET 2 HB1 MET 2 -20.231 -3.369 9.968 12 HG2 MET 2 HG2 MET 2 -20.233 -5.663 9.176 13 HG3 MET 2 HG1 MET 2 -18.632 -4.940 9.028 14 HE1 MET 2 HE1 MET 2 -17.484 -7.321 8.711 15 HE2 MET 2 HE2 MET 2 -19.094 -8.038 8.765 16 HE3 MET 2 HE3 MET 2 -17.803 -8.691 9.774 17 H ALA 3 HN ALA 3 -16.422 -4.721 11.067 18 HA ALA 3 HA ALA 3 -15.587 -2.893 8.958 19 HB1 ALA 3 HB1 ALA 3 -14.686 -1.940 11.016 20 HB2 ALA 3 HB2 ALA 3 -13.399 -2.562 9.981 21 HB3 ALA 3 HB3 ALA 3 -13.915 -3.481 11.394 22 H LYS 4 HN LYS 4 -14.488 -3.835 7.409 23 HA LYS 4 HA LYS 4 -13.026 -6.299 7.855 24 HB2 LYS 4 HB2 LYS 4 -15.374 -6.961 7.174 25 HB3 LYS 4 HB1 LYS 4 -15.090 -6.132 5.649 26 HG2 LYS 4 HG2 LYS 4 -13.152 -7.657 5.267 27 HG3 LYS 4 HG1 LYS 4 -13.646 -8.549 6.707 28 HD2 LYS 4 HD2 LYS 4 -15.809 -9.022 5.677 29 HD3 LYS 4 HD1 LYS 4 -15.337 -8.098 4.249 30 HE2 LYS 4 HE2 LYS 4 -13.449 -9.682 3.920 31 HE3 LYS 4 HE1 LYS 4 -14.061 -10.638 5.268 32 HZ1 LYS 4 HZ1 LYS 4 -15.419 -10.113 2.680 33 HZ2 LYS 4 HZ2 LYS 4 -16.170 -10.866 3.999 34 HZ3 LYS 4 HZ3 LYS 4 -14.836 -11.604 3.248 35 H GLY 5 HN GLY 5 -11.677 -6.816 5.884 36 HA2 GLY 5 HA2 GLY 5 -10.994 -4.316 4.469 37 HA3 GLY 5 HA1 GLY 5 -9.833 -5.581 4.855 38 H VAL 6 HN VAL 6 -9.295 -5.578 2.591 39 HA VAL 6 HA VAL 6 -11.280 -6.519 0.715 40 HB VAL 6 HB VAL 6 -8.308 -6.181 0.362 41 HG11 VAL 6 HG11 VAL 6 -10.496 -6.485 -1.685 42 HG12 VAL 6 HG12 VAL 6 -9.265 -7.686 -1.295 43 HG13 VAL 6 HG13 VAL 6 -8.800 -6.156 -2.038 44 HG21 VAL 6 HG21 VAL 6 -9.366 -4.063 0.940 45 HG22 VAL 6 HG22 VAL 6 -10.554 -4.298 -0.343 46 HG23 VAL 6 HG23 VAL 6 -8.855 -4.063 -0.748 47 H GLY 7 HN GLY 7 -8.064 -7.727 1.641 48 HA2 GLY 7 HA2 GLY 7 -7.683 -9.941 2.485 49 HA3 GLY 7 HA1 GLY 7 -9.169 -10.457 1.693 50 H VAL 8 HN VAL 8 -5.784 -9.865 1.322 51 HA VAL 8 HA VAL 8 -5.980 -10.648 -1.504 52 HB VAL 8 HB VAL 8 -4.112 -9.335 -2.077 53 HG11 VAL 8 HG11 VAL 8 -4.584 -7.078 -1.258 54 HG12 VAL 8 HG12 VAL 8 -5.665 -7.761 -0.046 55 HG13 VAL 8 HG13 VAL 8 -6.031 -7.947 -1.762 56 HG21 VAL 8 HG21 VAL 8 -3.506 -8.963 0.849 57 HG22 VAL 8 HG22 VAL 8 -2.611 -8.252 -0.495 58 HG23 VAL 8 HG23 VAL 8 -2.624 -10.000 -0.273 59 H SER 9 HN SER 9 -4.314 -12.009 -2.333 60 HA SER 9 HA SER 9 -3.216 -13.799 -0.307 61 HB2 SER 9 HB2 SER 9 -4.465 -14.767 -2.218 62 HB3 SER 9 HB1 SER 9 -3.285 -14.070 -3.329 63 HG SER 9 HG SER 9 -3.158 -16.376 -1.930 64 H ASN 10 HN ASN 10 -0.980 -14.776 -1.319 65 HA ASN 10 HA ASN 10 0.961 -12.772 -0.881 66 HB2 ASN 10 HB2 ASN 10 1.435 -15.103 -0.391 67 HB3 ASN 10 HB1 ASN 10 1.225 -15.538 -2.081 68 HD21 ASN 10 HD21 ASN 10 3.309 -13.978 0.242 69 HD22 ASN 10 HD22 ASN 10 4.716 -13.935 -0.760 70 H GLU 11 HN GLU 11 -0.620 -13.951 -3.714 71 HA GLU 11 HA GLU 11 1.006 -12.978 -5.750 72 HB2 GLU 11 HB2 GLU 11 -0.863 -14.326 -6.344 73 HB3 GLU 11 HB1 GLU 11 -1.979 -13.311 -5.441 74 HG2 GLU 11 HG2 GLU 11 -2.441 -12.830 -7.672 75 HG3 GLU 11 HG1 GLU 11 -1.366 -11.507 -7.204 76 H LYS 12 HN LYS 12 -1.707 -11.313 -4.136 77 HA LYS 12 HA LYS 12 -1.100 -8.870 -5.486 78 HB2 LYS 12 HB2 LYS 12 -3.058 -9.513 -3.289 79 HB3 LYS 12 HB1 LYS 12 -2.883 -7.918 -4.021 80 HG2 LYS 12 HG2 LYS 12 -3.287 -8.961 -6.254 81 HG3 LYS 12 HG1 LYS 12 -3.690 -10.464 -5.426 82 HD2 LYS 12 HD2 LYS 12 -5.560 -9.408 -4.332 83 HD3 LYS 12 HD1 LYS 12 -5.101 -7.826 -4.998 84 HE2 LYS 12 HE2 LYS 12 -5.348 -8.857 -7.285 85 HE3 LYS 12 HE1 LYS 12 -6.064 -10.257 -6.493 86 HZ1 LYS 12 HZ1 LYS 12 -7.774 -8.795 -7.291 87 HZ2 LYS 12 HZ2 LYS 12 -7.119 -7.486 -6.445 88 HZ3 LYS 12 HZ3 LYS 12 -7.792 -8.784 -5.593 89 H LEU 13 HN LEU 13 -0.111 -10.383 -2.573 90 HA LEU 13 HA LEU 13 0.984 -8.033 -1.369 91 HB2 LEU 13 HB2 LEU 13 0.502 -10.536 -0.474 92 HB3 LEU 13 HB1 LEU 13 2.226 -10.692 -0.825 93 HG LEU 13 HG LEU 13 2.110 -10.102 1.498 94 HD11 LEU 13 HD11 LEU 13 3.806 -8.832 0.361 95 HD12 LEU 13 HD12 LEU 13 3.082 -7.880 1.655 96 HD13 LEU 13 HD13 LEU 13 2.640 -7.565 -0.022 97 HD21 LEU 13 HD21 LEU 13 -0.210 -9.427 1.596 98 HD22 LEU 13 HD22 LEU 13 0.146 -7.956 0.693 99 HD23 LEU 13 HD23 LEU 13 0.807 -8.173 2.313 100 H ASP 14 HN ASP 14 2.167 -10.353 -3.837 101 HA ASP 14 HA ASP 14 4.853 -9.315 -3.685 102 HB2 ASP 14 HB2 ASP 14 3.947 -11.627 -4.639 103 HB3 ASP 14 HB1 ASP 14 3.907 -10.739 -6.134 104 H ALA 15 HN ALA 15 1.944 -8.622 -5.340 105 HA ALA 15 HA ALA 15 3.176 -7.130 -7.466 106 HB1 ALA 15 HB1 ALA 15 0.265 -7.071 -6.737 107 HB2 ALA 15 HB2 ALA 15 0.987 -8.426 -7.602 108 HB3 ALA 15 HB3 ALA 15 1.004 -6.812 -8.317 109 H VAL 16 HN VAL 16 1.916 -6.453 -4.302 110 HA VAL 16 HA VAL 16 1.655 -3.634 -4.726 111 HB VAL 16 HB VAL 16 0.250 -4.572 -3.036 112 HG11 VAL 16 HG11 VAL 16 1.573 -6.507 -2.407 113 HG12 VAL 16 HG12 VAL 16 1.147 -5.573 -0.971 114 HG13 VAL 16 HG13 VAL 16 2.777 -5.468 -1.642 115 HG21 VAL 16 HG21 VAL 16 0.829 -3.161 -1.104 116 HG22 VAL 16 HG22 VAL 16 1.011 -2.303 -2.634 117 HG23 VAL 16 HG23 VAL 16 2.440 -2.906 -1.789 118 H MET 17 HN MET 17 4.091 -5.731 -3.270 119 HA MET 17 HA MET 17 5.612 -3.639 -2.151 120 HB2 MET 17 HB2 MET 17 6.564 -6.386 -3.022 121 HB3 MET 17 HB1 MET 17 7.408 -5.295 -1.942 122 HG2 MET 17 HG2 MET 17 5.497 -5.439 -0.371 123 HG3 MET 17 HG1 MET 17 4.786 -6.646 -1.432 124 HE1 MET 17 HE1 MET 17 7.311 -8.313 -2.405 125 HE2 MET 17 HE2 MET 17 5.792 -9.028 -1.870 126 HE3 MET 17 HE3 MET 17 7.318 -9.598 -1.198 127 H ARG 18 HN ARG 18 5.506 -4.986 -5.385 128 HA ARG 18 HA ARG 18 7.962 -3.806 -6.220 129 HB2 ARG 18 HB2 ARG 18 7.362 -4.448 -8.465 130 HB3 ARG 18 HB1 ARG 18 6.999 -5.771 -7.365 131 HG2 ARG 18 HG2 ARG 18 4.663 -5.209 -7.407 132 HG3 ARG 18 HG1 ARG 18 4.997 -3.802 -8.423 133 HD2 ARG 18 HD2 ARG 18 5.856 -5.285 -10.174 134 HD3 ARG 18 HD1 ARG 18 5.532 -6.678 -9.147 135 HE ARG 18 HE ARG 18 3.298 -4.947 -9.900 136 HH11 ARG 18 HH11 ARG 18 4.980 -8.003 -10.198 137 HH12 ARG 18 HH12 ARG 18 3.675 -8.797 -11.026 138 HH21 ARG 18 HH21 ARG 18 1.573 -5.964 -11.019 139 HH22 ARG 18 HH22 ARG 18 1.749 -7.627 -11.500 140 H VAL 19 HN VAL 19 4.599 -2.772 -6.143 141 HA VAL 19 HA VAL 19 5.042 -0.480 -7.832 142 HB VAL 19 HB VAL 19 2.729 -1.262 -6.023 143 HG11 VAL 19 HG11 VAL 19 2.909 1.090 -7.897 144 HG12 VAL 19 HG12 VAL 19 2.879 1.170 -6.137 145 HG13 VAL 19 HG13 VAL 19 1.470 0.569 -7.019 146 HG21 VAL 19 HG21 VAL 19 2.964 -1.146 -9.035 147 HG22 VAL 19 HG22 VAL 19 1.564 -1.687 -8.112 148 HG23 VAL 19 HG23 VAL 19 3.063 -2.610 -8.061 149 H VAL 20 HN VAL 20 4.871 -1.217 -4.434 150 HA VAL 20 HA VAL 20 5.058 1.388 -3.408 151 HB VAL 20 HB VAL 20 5.697 -1.342 -2.302 152 HG11 VAL 20 HG11 VAL 20 6.237 1.277 -0.892 153 HG12 VAL 20 HG12 VAL 20 7.452 0.099 -1.393 154 HG13 VAL 20 HG13 VAL 20 6.278 -0.318 -0.141 155 HG21 VAL 20 HG21 VAL 20 3.948 -0.666 -0.679 156 HG22 VAL 20 HG22 VAL 20 3.377 -0.664 -2.347 157 HG23 VAL 20 HG23 VAL 20 3.772 0.861 -1.549 158 H SER 21 HN SER 21 7.556 -0.878 -4.512 159 HA SER 21 HA SER 21 9.683 0.547 -3.221 160 HB2 SER 21 HB2 SER 21 9.654 -1.612 -5.270 161 HB3 SER 21 HB1 SER 21 11.134 -0.942 -4.637 162 HG SER 21 HG SER 21 9.161 -2.497 -3.372 163 H GLU 22 HN GLU 22 8.440 0.300 -6.473 164 HA GLU 22 HA GLU 22 10.191 1.934 -7.830 165 HB2 GLU 22 HB2 GLU 22 8.716 0.730 -9.154 166 HB3 GLU 22 HB1 GLU 22 7.322 1.149 -8.160 167 HG2 GLU 22 HG2 GLU 22 6.972 3.077 -9.196 168 HG3 GLU 22 HG1 GLU 22 8.679 3.350 -9.531 169 H GLU 23 HN GLU 23 7.225 2.807 -6.076 170 HA GLU 23 HA GLU 23 7.497 5.587 -6.753 171 HB2 GLU 23 HB2 GLU 23 5.633 4.105 -4.897 172 HB3 GLU 23 HB1 GLU 23 5.572 5.847 -5.103 173 HG2 GLU 23 HG2 GLU 23 5.133 3.771 -7.234 174 HG3 GLU 23 HG1 GLU 23 3.904 4.774 -6.474 175 H SER 24 HN SER 24 8.368 3.561 -4.032 176 HA SER 24 HA SER 24 8.901 5.753 -2.257 177 HB2 SER 24 HB2 SER 24 9.682 2.838 -2.085 178 HB3 SER 24 HB1 SER 24 9.849 4.012 -0.782 179 HG SER 24 HG SER 24 7.476 3.046 -1.979 180 H GLY 25 HN GLY 25 10.787 3.736 -4.437 181 HA2 GLY 25 HA2 GLY 25 12.730 4.712 -5.522 182 HA3 GLY 25 HA1 GLY 25 13.045 5.607 -4.043 183 H ILE 26 HN ILE 26 12.140 2.573 -3.118 184 HA ILE 26 HA ILE 26 14.922 1.865 -2.602 185 HB ILE 26 HB ILE 26 12.588 0.274 -1.589 186 HG12 ILE 26 HG12 ILE 26 13.702 2.686 -0.136 187 HG13 ILE 26 HG11 ILE 26 12.209 2.722 -1.075 188 HG21 ILE 26 HG21 ILE 26 14.113 -0.131 0.310 189 HG22 ILE 26 HG22 ILE 26 15.337 0.858 -0.487 190 HG23 ILE 26 HG23 ILE 26 14.798 -0.648 -1.232 191 HD11 ILE 26 HD11 ILE 26 11.283 0.975 0.388 192 HD12 ILE 26 HD12 ILE 26 11.754 2.416 1.292 193 HD13 ILE 26 HD13 ILE 26 12.779 0.982 1.319 194 H ALA 27 HN ALA 27 15.653 -0.288 -2.879 195 HA ALA 27 HA ALA 27 14.597 -1.643 -5.212 196 HB1 ALA 27 HB1 ALA 27 17.041 -1.346 -4.836 197 HB2 ALA 27 HB2 ALA 27 16.559 -3.029 -5.035 198 HB3 ALA 27 HB3 ALA 27 16.906 -2.397 -3.426 199 H LEU 28 HN LEU 28 13.707 -3.702 -5.183 200 HA LEU 28 HA LEU 28 11.913 -4.199 -3.111 201 HB2 LEU 28 HB2 LEU 28 11.602 -4.986 -5.387 202 HB3 LEU 28 HB1 LEU 28 12.979 -6.056 -5.238 203 HG LEU 28 HG LEU 28 11.724 -7.323 -3.485 204 HD11 LEU 28 HD11 LEU 28 9.532 -5.430 -4.299 205 HD12 LEU 28 HD12 LEU 28 10.133 -5.776 -2.675 206 HD13 LEU 28 HD13 LEU 28 9.215 -6.995 -3.557 207 HD21 LEU 28 HD21 LEU 28 10.475 -7.092 -6.217 208 HD22 LEU 28 HD22 LEU 28 10.252 -8.441 -5.102 209 HD23 LEU 28 HD23 LEU 28 11.849 -8.103 -5.770 210 H GLU 29 HN GLU 29 15.208 -5.276 -3.520 211 HA GLU 29 HA GLU 29 15.084 -7.534 -1.797 212 HB2 GLU 29 HB2 GLU 29 17.521 -5.892 -2.463 213 HB3 GLU 29 HB1 GLU 29 17.469 -7.561 -1.915 214 HG2 GLU 29 HG2 GLU 29 16.253 -6.638 -4.489 215 HG3 GLU 29 HG1 GLU 29 17.895 -7.273 -4.358 216 H GLU 30 HN GLU 30 15.070 -4.200 -1.137 217 HA GLU 30 HA GLU 30 16.066 -4.683 1.600 218 HB2 GLU 30 HB2 GLU 30 15.956 -2.037 0.144 219 HB3 GLU 30 HB1 GLU 30 16.688 -2.350 1.712 220 HG2 GLU 30 HG2 GLU 30 18.231 -3.962 0.448 221 HG3 GLU 30 HG1 GLU 30 17.655 -3.145 -1.008 222 H LEU 31 HN LEU 31 13.256 -4.478 0.011 223 HA LEU 31 HA LEU 31 11.895 -2.587 1.694 224 HB2 LEU 31 HB2 LEU 31 11.172 -3.061 -0.637 225 HB3 LEU 31 HB1 LEU 31 10.714 -4.684 -0.140 226 HG LEU 31 HG LEU 31 9.092 -3.672 1.470 227 HD11 LEU 31 HD11 LEU 31 9.792 -1.115 0.041 228 HD12 LEU 31 HD12 LEU 31 10.182 -1.505 1.715 229 HD13 LEU 31 HD13 LEU 31 8.496 -1.328 1.220 230 HD21 LEU 31 HD21 LEU 31 7.461 -3.006 -0.242 231 HD22 LEU 31 HD22 LEU 31 8.326 -4.481 -0.672 232 HD23 LEU 31 HD23 LEU 31 8.758 -2.951 -1.436 233 H THR 32 HN THR 32 12.008 -3.156 3.781 234 HA THR 32 HA THR 32 10.729 -5.701 4.513 235 HB THR 32 HB THR 32 12.093 -5.854 6.476 236 HG1 THR 32 HG1 THR 32 12.871 -4.133 7.393 237 HG21 THR 32 HG21 THR 32 13.840 -5.011 4.154 238 HG22 THR 32 HG22 THR 32 13.244 -6.639 4.487 239 HG23 THR 32 HG23 THR 32 14.399 -5.882 5.582 240 H ASP 33 HN ASP 33 9.585 -5.564 6.661 241 HA ASP 33 HA ASP 33 7.757 -3.377 6.545 242 HB2 ASP 33 HB2 ASP 33 6.708 -4.455 8.531 243 HB3 ASP 33 HB1 ASP 33 6.934 -5.545 7.169 244 H ASP 34 HN ASP 34 10.771 -3.493 7.854 245 HA ASP 34 HA ASP 34 10.415 -2.031 10.274 246 HB2 ASP 34 HB2 ASP 34 12.857 -2.085 8.480 247 HB3 ASP 34 HB1 ASP 34 12.817 -1.640 10.185 248 H SER 35 HN SER 35 10.357 -1.161 6.945 249 HA SER 35 HA SER 35 11.409 1.500 7.265 250 HB2 SER 35 HB2 SER 35 11.677 0.246 5.163 251 HB3 SER 35 HB1 SER 35 9.930 0.273 4.930 252 HG SER 35 HG SER 35 11.170 1.947 3.807 253 H ASN 36 HN ASN 36 10.266 3.437 6.701 254 HA ASN 36 HA ASN 36 7.399 3.370 7.399 255 HB2 ASN 36 HB2 ASN 36 8.593 4.164 9.374 256 HB3 ASN 36 HB1 ASN 36 9.501 5.323 8.413 257 HD21 ASN 36 HD21 ASN 36 6.116 4.790 7.821 258 HD22 ASN 36 HD22 ASN 36 5.581 6.300 8.468 259 H PHE 37 HN PHE 37 6.236 4.162 5.757 260 HA PHE 37 HA PHE 37 7.206 5.230 3.408 261 HB2 PHE 37 HB2 PHE 37 4.530 5.401 4.758 262 HB3 PHE 37 HB1 PHE 37 4.816 6.230 3.227 263 HD1 PHE 37 HD1 PHE 37 5.947 4.700 1.365 264 HD2 PHE 37 HD2 PHE 37 3.731 3.297 4.708 265 HE1 PHE 37 HE1 PHE 37 5.481 2.596 0.167 266 HE2 PHE 37 HE2 PHE 37 3.261 1.207 3.533 267 HZ PHE 37 HZ PHE 37 4.268 0.865 1.173 268 H ALA 38 HN ALA 38 5.903 6.989 6.203 269 HA ALA 38 HA ALA 38 6.247 9.565 5.084 270 HB1 ALA 38 HB1 ALA 38 6.069 8.798 7.990 271 HB2 ALA 38 HB2 ALA 38 4.689 9.030 6.916 272 HB3 ALA 38 HB3 ALA 38 5.755 10.387 7.292 273 H ASP 39 HN ASP 39 8.370 7.456 6.935 274 HA ASP 39 HA ASP 39 10.268 9.494 7.584 275 HB2 ASP 39 HB2 ASP 39 10.049 7.422 8.926 276 HB3 ASP 39 HB1 ASP 39 10.654 6.494 7.556 277 H MET 40 HN MET 40 9.719 7.394 4.912 278 HA MET 40 HA MET 40 12.335 7.767 3.746 279 HB2 MET 40 HB2 MET 40 9.784 6.691 2.542 280 HB3 MET 40 HB1 MET 40 11.358 6.674 1.757 281 HG2 MET 40 HG2 MET 40 12.219 5.250 3.543 282 HG3 MET 40 HG1 MET 40 10.624 5.246 4.301 283 HE1 MET 40 HE1 MET 40 8.439 4.227 3.104 284 HE2 MET 40 HE2 MET 40 8.481 3.425 1.532 285 HE3 MET 40 HE3 MET 40 8.761 5.162 1.644 286 H GLY 41 HN GLY 41 9.307 9.376 3.762 287 HA2 GLY 41 HA2 GLY 41 9.183 11.690 3.068 288 HA3 GLY 41 HA1 GLY 41 10.394 11.341 1.840 289 H ILE 42 HN ILE 42 7.762 9.114 2.316 290 HA ILE 42 HA ILE 42 6.820 9.401 -0.339 291 HB ILE 42 HB ILE 42 5.528 8.126 2.089 292 HG12 ILE 42 HG12 ILE 42 7.631 7.124 1.175 293 HG13 ILE 42 HG11 ILE 42 6.239 6.046 1.105 294 HG21 ILE 42 HG21 ILE 42 3.965 7.063 0.519 295 HG22 ILE 42 HG22 ILE 42 4.623 8.051 -0.788 296 HG23 ILE 42 HG23 ILE 42 3.782 8.818 0.558 297 HD11 ILE 42 HD11 ILE 42 7.341 7.650 -1.189 298 HD12 ILE 42 HD12 ILE 42 5.978 6.532 -1.263 299 HD13 ILE 42 HD13 ILE 42 7.599 5.928 -0.913 300 H ASP 43 HN ASP 43 5.936 11.189 -1.050 301 HA ASP 43 HA ASP 43 4.630 13.055 0.742 302 HB2 ASP 43 HB2 ASP 43 6.194 13.453 -1.369 303 HB3 ASP 43 HB1 ASP 43 4.660 13.402 -2.226 304 H SER 44 HN SER 44 2.610 14.160 -0.261 305 HA SER 44 HA SER 44 0.454 12.363 -0.210 306 HB2 SER 44 HB2 SER 44 0.178 14.671 0.424 307 HB3 SER 44 HB1 SER 44 0.642 15.218 -1.186 308 H LEU 45 HN LEU 45 2.186 13.925 -2.841 309 HA LEU 45 HA LEU 45 0.635 13.128 -5.013 310 HB2 LEU 45 HB2 LEU 45 2.648 14.716 -4.943 311 HB3 LEU 45 HB1 LEU 45 3.659 13.286 -5.010 312 HG LEU 45 HG LEU 45 3.312 14.517 -7.185 313 HD11 LEU 45 HD11 LEU 45 3.076 12.495 -8.529 314 HD12 LEU 45 HD12 LEU 45 2.489 11.625 -7.111 315 HD13 LEU 45 HD13 LEU 45 4.142 12.237 -7.147 316 HD21 LEU 45 HD21 LEU 45 0.953 15.032 -6.939 317 HD22 LEU 45 HD22 LEU 45 0.560 13.313 -6.964 318 HD23 LEU 45 HD23 LEU 45 1.233 14.083 -8.399 319 H SER 46 HN SER 46 3.525 11.511 -3.677 320 HA SER 46 HA SER 46 3.454 9.267 -5.334 321 HB2 SER 46 HB2 SER 46 4.468 9.255 -2.490 322 HB3 SER 46 HB1 SER 46 5.085 8.353 -3.876 323 HG SER 46 HG SER 46 6.272 9.999 -4.398 324 H SER 47 HN SER 47 2.055 9.811 -2.141 325 HA SER 47 HA SER 47 1.165 7.222 -1.615 326 HB2 SER 47 HB2 SER 47 -0.047 9.860 -0.760 327 HB3 SER 47 HB1 SER 47 -0.384 8.292 -0.022 328 HG SER 47 HG SER 47 2.002 9.806 0.015 329 H MET 48 HN MET 48 -0.361 9.854 -3.384 330 HA MET 48 HA MET 48 -2.886 8.539 -3.678 331 HB2 MET 48 HB2 MET 48 -2.462 11.034 -3.848 332 HB3 MET 48 HB1 MET 48 -1.777 10.722 -5.434 333 HG2 MET 48 HG2 MET 48 -4.113 11.446 -5.583 334 HG3 MET 48 HG1 MET 48 -3.878 9.817 -6.216 335 HE1 MET 48 HE1 MET 48 -6.508 9.470 -6.153 336 HE2 MET 48 HE2 MET 48 -6.742 11.080 -5.469 337 HE3 MET 48 HE3 MET 48 -7.492 9.680 -4.705 338 H VAL 49 HN VAL 49 0.034 8.817 -5.561 339 HA VAL 49 HA VAL 49 -0.897 7.658 -7.943 340 HB VAL 49 HB VAL 49 1.864 7.909 -6.720 341 HG11 VAL 49 HG11 VAL 49 1.871 5.900 -8.081 342 HG12 VAL 49 HG12 VAL 49 2.786 7.179 -8.877 343 HG13 VAL 49 HG13 VAL 49 1.159 6.783 -9.434 344 HG21 VAL 49 HG21 VAL 49 0.807 9.989 -7.531 345 HG22 VAL 49 HG22 VAL 49 0.608 9.260 -9.125 346 HG23 VAL 49 HG23 VAL 49 2.225 9.557 -8.487 347 H ILE 50 HN ILE 50 0.928 6.258 -5.216 348 HA ILE 50 HA ILE 50 1.090 3.652 -6.043 349 HB ILE 50 HB ILE 50 0.636 4.648 -3.229 350 HG12 ILE 50 HG12 ILE 50 3.192 4.039 -4.734 351 HG13 ILE 50 HG11 ILE 50 2.601 5.647 -4.325 352 HG21 ILE 50 HG21 ILE 50 1.651 2.565 -2.508 353 HG22 ILE 50 HG22 ILE 50 1.780 2.033 -4.186 354 HG23 ILE 50 HG23 ILE 50 0.192 2.263 -3.451 355 HD11 ILE 50 HD11 ILE 50 3.408 3.522 -2.352 356 HD12 ILE 50 HD12 ILE 50 2.841 5.148 -1.961 357 HD13 ILE 50 HD13 ILE 50 4.367 4.931 -2.819 358 H GLY 51 HN GLY 51 -1.550 5.082 -4.107 359 HA2 GLY 51 HA2 GLY 51 -3.126 2.759 -3.948 360 HA3 GLY 51 HA1 GLY 51 -3.719 4.400 -3.763 361 H SER 52 HN SER 52 -3.035 5.331 -6.366 362 HA SER 52 HA SER 52 -5.276 4.468 -7.860 363 HB2 SER 52 HB2 SER 52 -3.806 6.664 -8.103 364 HB3 SER 52 HB1 SER 52 -2.950 5.680 -9.301 365 HG SER 52 HG SER 52 -4.882 5.389 -10.411 366 H ARG 53 HN ARG 53 -1.845 3.616 -8.077 367 HA ARG 53 HA ARG 53 -2.076 2.082 -10.444 368 HB2 ARG 53 HB2 ARG 53 0.007 1.584 -8.333 369 HB3 ARG 53 HB1 ARG 53 0.139 1.362 -10.071 370 HG2 ARG 53 HG2 ARG 53 -0.226 3.924 -10.169 371 HG3 ARG 53 HG1 ARG 53 0.254 3.874 -8.475 372 HD2 ARG 53 HD2 ARG 53 2.346 4.020 -9.264 373 HD3 ARG 53 HD1 ARG 53 2.143 2.304 -9.618 374 HE ARG 53 HE ARG 53 1.169 3.770 -11.800 375 HH11 ARG 53 HH11 ARG 53 4.194 3.115 -10.162 376 HH12 ARG 53 HH12 ARG 53 5.157 3.207 -11.597 377 HH21 ARG 53 HH21 ARG 53 2.457 3.948 -13.712 378 HH22 ARG 53 HH22 ARG 53 4.178 3.734 -13.609 379 H PHE 54 HN PHE 54 -2.626 1.373 -7.084 380 HA PHE 54 HA PHE 54 -2.634 -1.433 -7.107 381 HB2 PHE 54 HB2 PHE 54 -4.308 0.589 -5.601 382 HB3 PHE 54 HB1 PHE 54 -4.477 -1.140 -5.350 383 HD1 PHE 54 HD1 PHE 54 -1.214 -0.894 -6.054 384 HD2 PHE 54 HD2 PHE 54 -3.917 0.268 -2.978 385 HE1 PHE 54 HE1 PHE 54 0.655 -0.802 -4.452 386 HE2 PHE 54 HE2 PHE 54 -2.051 0.355 -1.371 387 HZ PHE 54 HZ PHE 54 0.076 -0.251 -1.937 388 H ARG 55 HN ARG 55 -5.074 0.916 -8.086 389 HA ARG 55 HA ARG 55 -7.074 -1.076 -8.604 390 HB2 ARG 55 HB2 ARG 55 -6.958 1.845 -9.365 391 HB3 ARG 55 HB1 ARG 55 -8.383 0.816 -9.456 392 HG2 ARG 55 HG2 ARG 55 -8.274 0.506 -7.015 393 HG3 ARG 55 HG1 ARG 55 -6.897 1.607 -6.957 394 HD2 ARG 55 HD2 ARG 55 -9.148 2.627 -6.430 395 HD3 ARG 55 HD1 ARG 55 -8.206 3.439 -7.681 396 HE ARG 55 HE ARG 55 -10.220 1.477 -8.508 397 HH11 ARG 55 HH11 ARG 55 -9.261 4.824 -8.197 398 HH12 ARG 55 HH12 ARG 55 -10.388 5.403 -9.380 399 HH21 ARG 55 HH21 ARG 55 -11.686 2.207 -10.077 400 HH22 ARG 55 HH22 ARG 55 -11.770 3.896 -10.471 401 H GLU 56 HN GLU 56 -4.564 0.510 -10.395 402 HA GLU 56 HA GLU 56 -5.691 -0.075 -12.975 403 HB2 GLU 56 HB2 GLU 56 -2.962 0.922 -12.156 404 HB3 GLU 56 HB1 GLU 56 -3.481 0.727 -13.824 405 HG2 GLU 56 HG2 GLU 56 -5.252 2.363 -13.474 406 HG3 GLU 56 HG1 GLU 56 -4.750 2.548 -11.793 407 H ASP 57 HN ASP 57 -2.829 -1.229 -11.203 408 HA ASP 57 HA ASP 57 -2.404 -3.250 -13.251 409 HB2 ASP 57 HB2 ASP 57 -0.509 -1.934 -12.350 410 HB3 ASP 57 HB1 ASP 57 -0.788 -2.645 -10.765 411 H LEU 58 HN LEU 58 -3.426 -3.100 -9.888 412 HA LEU 58 HA LEU 58 -3.282 -6.020 -9.700 413 HB2 LEU 58 HB2 LEU 58 -3.502 -3.857 -7.623 414 HB3 LEU 58 HB1 LEU 58 -3.809 -5.538 -7.232 415 HG LEU 58 HG LEU 58 -1.510 -6.108 -7.918 416 HD11 LEU 58 HD11 LEU 58 0.101 -4.389 -8.420 417 HD12 LEU 58 HD12 LEU 58 -1.123 -3.135 -8.211 418 HD13 LEU 58 HD13 LEU 58 -1.249 -4.278 -9.549 419 HD21 LEU 58 HD21 LEU 58 -0.388 -5.088 -6.015 420 HD22 LEU 58 HD22 LEU 58 -2.028 -5.577 -5.586 421 HD23 LEU 58 HD23 LEU 58 -1.667 -3.877 -5.896 422 H GLY 59 HN GLY 59 -5.567 -3.435 -9.880 423 HA2 GLY 59 HA2 GLY 59 -7.864 -3.510 -10.139 424 HA3 GLY 59 HA1 GLY 59 -7.762 -5.266 -10.111 425 H LEU 60 HN LEU 60 -6.656 -2.977 -7.652 426 HA LEU 60 HA LEU 60 -8.120 -4.413 -5.627 427 HB2 LEU 60 HB2 LEU 60 -6.133 -2.184 -5.620 428 HB3 LEU 60 HB1 LEU 60 -7.109 -2.470 -4.191 429 HG LEU 60 HG LEU 60 -5.330 -4.517 -5.498 430 HD11 LEU 60 HD11 LEU 60 -4.956 -2.937 -2.960 431 HD12 LEU 60 HD12 LEU 60 -4.055 -2.711 -4.459 432 HD13 LEU 60 HD13 LEU 60 -3.894 -4.214 -3.551 433 HD21 LEU 60 HD21 LEU 60 -6.953 -4.563 -2.959 434 HD22 LEU 60 HD22 LEU 60 -5.765 -5.775 -3.416 435 HD23 LEU 60 HD23 LEU 60 -7.209 -5.550 -4.399 436 H ASP 61 HN ASP 61 -9.947 -3.802 -4.600 437 HA ASP 61 HA ASP 61 -11.287 -1.372 -5.480 438 HB2 ASP 61 HB2 ASP 61 -12.243 -3.686 -3.777 439 HB3 ASP 61 HB1 ASP 61 -13.218 -2.265 -4.146 440 H LEU 62 HN LEU 62 -10.040 0.178 -4.417 441 HA LEU 62 HA LEU 62 -10.305 0.158 -1.484 442 HB2 LEU 62 HB2 LEU 62 -8.067 0.802 -3.222 443 HB3 LEU 62 HB1 LEU 62 -8.441 2.131 -2.143 444 HG LEU 62 HG LEU 62 -6.764 0.810 -1.087 445 HD11 LEU 62 HD11 LEU 62 -8.533 1.639 0.374 446 HD12 LEU 62 HD12 LEU 62 -7.864 0.117 0.964 447 HD13 LEU 62 HD13 LEU 62 -9.426 0.134 0.145 448 HD21 LEU 62 HD21 LEU 62 -7.113 -1.257 -2.386 449 HD22 LEU 62 HD22 LEU 62 -8.548 -1.594 -1.418 450 HD23 LEU 62 HD23 LEU 62 -6.961 -1.550 -0.655 451 H GLY 63 HN GLY 63 -9.951 2.521 -4.126 452 HA2 GLY 63 HA2 GLY 63 -12.151 3.795 -4.481 453 HA3 GLY 63 HA1 GLY 63 -11.958 4.180 -2.780 454 HA PRO 64 HA PRO 64 -9.550 7.259 -5.344 455 HB2 PRO 64 HB2 PRO 64 -11.290 9.258 -5.678 456 HB3 PRO 64 HB1 PRO 64 -11.309 7.829 -6.728 457 HG2 PRO 64 HG2 PRO 64 -13.089 8.511 -4.432 458 HG3 PRO 64 HG1 PRO 64 -13.510 7.777 -5.987 459 HD2 PRO 64 HD2 PRO 64 -13.111 6.394 -3.601 460 HD3 PRO 64 HD1 PRO 64 -13.059 5.680 -5.222 461 H GLU 65 HN GLU 65 -10.690 6.839 -2.416 462 HA GLU 65 HA GLU 65 -9.845 9.466 -1.391 463 HB2 GLU 65 HB2 GLU 65 -11.722 7.536 -0.011 464 HB3 GLU 65 HB1 GLU 65 -11.377 9.210 0.438 465 HG2 GLU 65 HG2 GLU 65 -12.399 9.971 -1.661 466 HG3 GLU 65 HG1 GLU 65 -12.788 8.301 -2.068 467 H PHE 66 HN PHE 66 -8.614 6.600 -1.870 468 HA PHE 66 HA PHE 66 -7.539 6.162 0.796 469 HB2 PHE 66 HB2 PHE 66 -8.325 4.200 -0.431 470 HB3 PHE 66 HB1 PHE 66 -7.256 4.582 -1.769 471 HD1 PHE 66 HD2 PHE 66 -7.268 3.570 1.810 472 HD2 PHE 66 HD1 PHE 66 -5.087 3.794 -1.841 473 HE1 PHE 66 HE2 PHE 66 -5.496 2.178 2.781 474 HE2 PHE 66 HE1 PHE 66 -3.321 2.394 -0.877 475 HZ PHE 66 HZ PHE 66 -3.519 1.583 1.439 476 H SER 67 HN SER 67 -5.775 7.222 1.358 477 HA SER 67 HA SER 67 -3.592 7.474 -0.577 478 HB2 SER 67 HB2 SER 67 -4.502 9.714 1.250 479 HB3 SER 67 HB1 SER 67 -3.139 9.769 0.136 480 HG SER 67 HG SER 67 -5.190 9.032 -1.311 481 H LEU 68 HN LEU 68 -1.791 6.652 0.218 482 HA LEU 68 HA LEU 68 -1.616 5.429 2.710 483 HB2 LEU 68 HB2 LEU 68 0.645 6.355 0.948 484 HB3 LEU 68 HB1 LEU 68 0.794 5.209 2.261 485 HG LEU 68 HG LEU 68 -0.693 4.820 -0.327 486 HD11 LEU 68 HD11 LEU 68 1.773 3.604 0.889 487 HD12 LEU 68 HD12 LEU 68 1.636 4.507 -0.623 488 HD13 LEU 68 HD13 LEU 68 0.917 2.899 -0.484 489 HD21 LEU 68 HD21 LEU 68 -1.926 3.860 1.568 490 HD22 LEU 68 HD22 LEU 68 -0.485 2.949 2.020 491 HD23 LEU 68 HD23 LEU 68 -1.288 2.629 0.481 492 H PHE 69 HN PHE 69 -0.461 8.582 1.686 493 HA PHE 69 HA PHE 69 1.236 9.211 3.780 494 HB2 PHE 69 HB2 PHE 69 0.934 10.437 1.610 495 HB3 PHE 69 HB1 PHE 69 -0.537 11.145 2.260 496 HD1 PHE 69 HD1 PHE 69 2.482 10.596 4.301 497 HD2 PHE 69 HD2 PHE 69 0.193 13.374 2.036 498 HE1 PHE 69 HE1 PHE 69 3.802 12.441 5.251 499 HE2 PHE 69 HE2 PHE 69 1.502 15.235 2.991 500 HZ PHE 69 HZ PHE 69 3.313 14.762 4.596 501 H ILE 70 HN ILE 70 -2.147 8.819 3.938 502 HA ILE 70 HA ILE 70 -2.206 10.318 6.481 503 HB ILE 70 HB ILE 70 -4.525 9.912 4.554 504 HG12 ILE 70 HG12 ILE 70 -3.120 12.418 5.516 505 HG13 ILE 70 HG11 ILE 70 -2.967 11.715 3.912 506 HG21 ILE 70 HG21 ILE 70 -5.262 9.681 6.875 507 HG22 ILE 70 HG22 ILE 70 -5.883 11.158 6.137 508 HG23 ILE 70 HG23 ILE 70 -4.529 11.239 7.263 509 HD11 ILE 70 HD11 ILE 70 -5.481 12.867 5.101 510 HD12 ILE 70 HD12 ILE 70 -5.345 12.126 3.508 511 HD13 ILE 70 HD13 ILE 70 -4.466 13.613 3.865 512 H ASP 71 HN ASP 71 -3.215 7.389 4.778 513 HA ASP 71 HA ASP 71 -4.433 6.414 7.275 514 HB2 ASP 71 HB2 ASP 71 -5.811 6.640 5.129 515 HB3 ASP 71 HB1 ASP 71 -4.904 5.264 4.520 516 H CYS 72 HN CYS 72 -1.516 6.197 6.013 517 HA CYS 72 HA CYS 72 -1.099 3.490 6.942 518 HB2 CYS 72 HB2 CYS 72 -0.456 4.325 4.110 519 HB3 CYS 72 HB1 CYS 72 0.202 2.883 4.879 520 HG CYS 72 HG CYS 72 -3.051 2.824 5.232 521 H THR 73 HN THR 73 0.894 3.210 7.797 522 HA THR 73 HA THR 73 2.549 5.647 7.829 523 HB THR 73 HB THR 73 3.134 4.966 10.162 524 HG1 THR 73 HG1 THR 73 1.059 3.321 10.632 525 HG21 THR 73 HG21 THR 73 1.406 6.601 9.893 526 HG22 THR 73 HG22 THR 73 0.852 5.458 11.118 527 HG23 THR 73 HG23 THR 73 0.221 5.365 9.469 528 H THR 74 HN THR 74 3.186 2.318 8.986 529 HA THR 74 HA THR 74 5.773 2.382 7.675 530 HB THR 74 HB THR 74 6.131 0.167 8.685 531 HG1 THR 74 HG1 THR 74 4.529 -0.861 9.785 532 HG21 THR 74 HG21 THR 74 6.055 0.860 11.045 533 HG22 THR 74 HG22 THR 74 4.995 2.200 10.609 534 HG23 THR 74 HG23 THR 74 6.652 2.156 10.009 535 H VAL 75 HN VAL 75 6.179 -0.213 6.791 536 HA VAL 75 HA VAL 75 4.765 -0.031 4.274 537 HB VAL 75 HB VAL 75 6.524 -2.364 4.777 538 HG11 VAL 75 HG11 VAL 75 7.378 -1.731 2.547 539 HG12 VAL 75 HG12 VAL 75 6.284 -0.349 2.553 540 HG13 VAL 75 HG13 VAL 75 5.633 -1.989 2.578 541 HG21 VAL 75 HG21 VAL 75 7.612 0.442 4.714 542 HG22 VAL 75 HG22 VAL 75 8.579 -1.013 4.464 543 HG23 VAL 75 HG23 VAL 75 7.776 -0.741 6.012 544 H ARG 76 HN ARG 76 5.085 -2.208 6.996 545 HA ARG 76 HA ARG 76 3.416 -4.245 6.023 546 HB2 ARG 76 HB2 ARG 76 5.100 -4.409 7.870 547 HB3 ARG 76 HB1 ARG 76 3.954 -3.576 8.910 548 HG2 ARG 76 HG2 ARG 76 2.753 -5.862 7.574 549 HG3 ARG 76 HG1 ARG 76 4.190 -6.325 8.480 550 HD2 ARG 76 HD2 ARG 76 2.231 -6.567 9.883 551 HD3 ARG 76 HD1 ARG 76 3.239 -5.236 10.481 552 HE ARG 76 HE ARG 76 0.966 -4.638 8.723 553 HH11 ARG 76 HH11 ARG 76 2.548 -4.398 11.846 554 HH12 ARG 76 HH12 ARG 76 1.399 -3.255 12.480 555 HH21 ARG 76 HH21 ARG 76 -0.550 -3.122 9.591 556 HH22 ARG 76 HH22 ARG 76 -0.340 -2.543 11.213 557 H ALA 77 HN ALA 77 2.799 -1.193 7.551 558 HA ALA 77 HA ALA 77 0.180 -1.589 8.459 559 HB1 ALA 77 HB1 ALA 77 1.373 0.925 7.277 560 HB2 ALA 77 HB2 ALA 77 1.474 0.429 8.966 561 HB3 ALA 77 HB3 ALA 77 -0.089 0.836 8.258 562 H LEU 78 HN LEU 78 1.446 -0.986 5.243 563 HA LEU 78 HA LEU 78 -1.078 -0.595 3.963 564 HB2 LEU 78 HB2 LEU 78 1.533 -0.278 3.234 565 HB3 LEU 78 HB1 LEU 78 1.150 -1.779 2.426 566 HG LEU 78 HG LEU 78 -0.487 0.715 2.061 567 HD11 LEU 78 HD11 LEU 78 1.740 1.269 1.411 568 HD12 LEU 78 HD12 LEU 78 0.810 0.959 -0.058 569 HD13 LEU 78 HD13 LEU 78 1.929 -0.260 0.557 570 HD21 LEU 78 HD21 LEU 78 -0.196 -1.802 0.421 571 HD22 LEU 78 HD22 LEU 78 -1.114 -0.377 -0.054 572 HD23 LEU 78 HD23 LEU 78 -1.613 -1.311 1.359 573 H LYS 79 HN LYS 79 1.144 -3.246 4.361 574 HA LYS 79 HA LYS 79 -0.032 -5.281 2.897 575 HB2 LYS 79 HB2 LYS 79 1.396 -5.700 5.514 576 HB3 LYS 79 HB1 LYS 79 1.409 -6.732 4.084 577 HG2 LYS 79 HG2 LYS 79 2.536 -3.946 4.062 578 HG3 LYS 79 HG1 LYS 79 3.506 -5.338 4.519 579 HD2 LYS 79 HD2 LYS 79 3.256 -6.313 2.376 580 HD3 LYS 79 HD1 LYS 79 1.976 -5.179 1.942 581 HE2 LYS 79 HE2 LYS 79 4.814 -4.370 2.527 582 HE3 LYS 79 HE1 LYS 79 4.207 -4.696 0.903 583 HZ1 LYS 79 HZ1 LYS 79 2.552 -2.926 1.273 584 HZ2 LYS 79 HZ2 LYS 79 4.141 -2.353 1.339 585 HZ3 LYS 79 HZ3 LYS 79 3.267 -2.585 2.772 586 H ASP 80 HN ASP 80 -0.411 -4.536 6.338 587 HA ASP 80 HA ASP 80 -2.244 -6.540 6.985 588 HB2 ASP 80 HB2 ASP 80 -1.009 -5.172 8.631 589 HB3 ASP 80 HB1 ASP 80 -1.971 -3.773 8.174 590 H PHE 81 HN PHE 81 -2.712 -3.266 5.849 591 HA PHE 81 HA PHE 81 -5.500 -3.137 6.167 592 HB2 PHE 81 HB2 PHE 81 -3.868 -1.206 5.822 593 HB3 PHE 81 HB1 PHE 81 -3.910 -1.603 4.105 594 HD1 PHE 81 HD1 PHE 81 -6.103 -0.724 6.961 595 HD2 PHE 81 HD2 PHE 81 -5.548 -0.684 2.748 596 HE1 PHE 81 HE1 PHE 81 -8.124 0.653 6.722 597 HE2 PHE 81 HE2 PHE 81 -7.578 0.693 2.494 598 HZ PHE 81 HZ PHE 81 -8.869 1.364 4.481 599 H MET 82 HN MET 82 -3.474 -4.385 3.613 600 HA MET 82 HA MET 82 -5.353 -4.525 1.525 601 HB2 MET 82 HB2 MET 82 -3.174 -6.530 2.019 602 HB3 MET 82 HB1 MET 82 -3.888 -6.078 0.477 603 HG2 MET 82 HG2 MET 82 -2.973 -3.778 0.817 604 HG3 MET 82 HG1 MET 82 -2.115 -4.399 2.227 605 HE1 MET 82 HE1 MET 82 -1.134 -4.992 -2.169 606 HE2 MET 82 HE2 MET 82 -1.791 -3.548 -1.395 607 HE3 MET 82 HE3 MET 82 -2.784 -5.002 -1.536 608 H LEU 83 HN LEU 83 -4.600 -6.828 4.112 609 HA LEU 83 HA LEU 83 -6.651 -8.643 3.227 610 HB2 LEU 83 HB2 LEU 83 -4.951 -8.606 5.729 611 HB3 LEU 83 HB1 LEU 83 -6.123 -9.856 5.377 612 HG LEU 83 HG LEU 83 -4.765 -10.331 3.263 613 HD11 LEU 83 HD11 LEU 83 -2.715 -8.691 4.728 614 HD12 LEU 83 HD12 LEU 83 -3.510 -8.246 3.218 615 HD13 LEU 83 HD13 LEU 83 -2.444 -9.649 3.272 616 HD21 LEU 83 HD21 LEU 83 -3.494 -10.792 5.965 617 HD22 LEU 83 HD22 LEU 83 -3.096 -11.669 4.488 618 HD23 LEU 83 HD23 LEU 83 -4.705 -11.818 5.194 619 H GLY 84 HN GLY 84 -6.233 -6.336 5.888 620 HA2 GLY 84 HA2 GLY 84 -9.136 -6.303 6.181 621 HA3 GLY 84 HA1 GLY 84 -8.200 -6.790 7.584 622 H SER 85 HN SER 85 -9.959 -4.465 7.140 623 HA SER 85 HA SER 85 -8.280 -2.126 7.122 624 HB2 SER 85 HB2 SER 85 -10.654 -2.178 6.326 625 HB3 SER 85 HB1 SER 85 -11.159 -2.429 7.998 626 HG SER 85 HG SER 85 -10.142 -0.415 8.490 627 H GLY 86 HN GLY 86 -7.224 -3.790 8.999 628 HA2 GLY 86 HA2 GLY 86 -6.460 -3.518 11.213 629 HA3 GLY 86 HA1 GLY 86 -7.848 -2.481 11.538 630 H ASP 87 HN ASP 87 -8.253 -5.487 9.874 631 HA ASP 87 HA ASP 87 -10.114 -6.346 11.915 632 HB2 ASP 87 HB2 ASP 87 -10.662 -6.490 9.480 633 HB3 ASP 87 HB1 ASP 87 -9.392 -7.697 9.303 634 H ALA 88 HN ALA 88 -8.364 -6.599 13.475 635 HA ALA 88 HA ALA 88 -7.483 -9.352 13.558 636 HB1 ALA 88 HB1 ALA 88 -5.612 -8.257 12.418 637 HB2 ALA 88 HB2 ALA 88 -5.145 -8.792 14.033 638 HB3 ALA 88 HB3 ALA 88 -5.489 -7.089 13.733 639 H GLY 89 HN GLY 89 -7.918 -10.065 15.530 640 HA2 GLY 89 HA2 GLY 89 -7.065 -8.980 17.916 641 HA3 GLY 89 HA1 GLY 89 -8.681 -8.333 17.651 642 H282 PNS 90 H28A PNS 44 -1.320 15.648 -4.141 643 H281 PNS 90 H28B PNS 44 -1.697 13.962 -3.782 644 H303 PNS 90 H30A PNS 44 -1.528 15.368 -6.537 645 H302 PNS 90 H30B PNS 44 -2.918 14.530 -7.228 646 H301 PNS 90 H30C PNS 44 -1.757 13.642 -6.242 647 H313 PNS 90 H31A PNS 44 -4.695 14.053 -4.038 648 H312 PNS 90 H31B PNS 44 -3.632 12.871 -4.799 649 H311 PNS 90 H31C PNS 44 -4.775 13.789 -5.779 650 H32 PNS 90 H32A PNS 44 -4.310 16.296 -6.226 651 H33 PNS 90 H33A PNS 44 -4.374 16.036 -3.415 652 H36 PNS 90 H36A PNS 44 -3.900 18.221 -3.764 653 H372 PNS 90 H37A PNS 44 -1.252 19.279 -4.061 654 H371 PNS 90 H37B PNS 44 -2.477 20.245 -4.880 655 H382 PNS 90 H38A PNS 44 -3.708 20.454 -2.767 656 H381 PNS 90 H38B PNS 44 -2.433 19.544 -1.953 657 H41 PNS 90 H41A PNS 44 -2.816 21.738 -0.797 658 H422 PNS 90 H42A PNS 44 -0.578 23.182 -0.543 659 H421 PNS 90 H42B PNS 44 -1.380 24.012 -1.877 660 H431 PNS 90 H43A PNS 44 -3.333 24.401 -0.484 661 H432 PNS 90 H43B PNS 44 -1.885 25.066 0.268 662 H44 PNS 90 H1 PNS 44 -3.395 22.124 1.163 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -24.522 -9.216 6.761 2 H2 ALA 1 HT2 ALA 1 -23.012 -9.852 6.342 3 H3 ALA 1 HT3 ALA 1 -23.375 -8.232 5.995 4 HA ALA 1 HA ALA 1 -23.482 -7.711 8.335 5 HB1 ALA 1 HB1 ALA 1 -22.865 -9.385 9.999 6 HB2 ALA 1 HB2 ALA 1 -22.728 -10.603 8.731 7 HB3 ALA 1 HB3 ALA 1 -24.296 -9.883 9.097 8 H MET 2 HN MET 2 -21.617 -7.851 5.976 9 HA MET 2 HA MET 2 -19.083 -7.867 7.469 10 HB2 MET 2 HB2 MET 2 -19.185 -9.589 5.709 11 HB3 MET 2 HB1 MET 2 -19.522 -8.343 4.516 12 HG2 MET 2 HG2 MET 2 -17.180 -9.110 4.508 13 HG3 MET 2 HG1 MET 2 -17.350 -7.381 4.812 14 HE1 MET 2 HE1 MET 2 -14.810 -7.393 5.609 15 HE2 MET 2 HE2 MET 2 -14.673 -9.141 5.418 16 HE3 MET 2 HE3 MET 2 -14.196 -8.382 6.936 17 H ALA 3 HN ALA 3 -17.722 -6.063 7.268 18 HA ALA 3 HA ALA 3 -18.295 -3.956 5.408 19 HB1 ALA 3 HB1 ALA 3 -18.782 -3.493 8.353 20 HB2 ALA 3 HB2 ALA 3 -19.997 -3.468 7.076 21 HB3 ALA 3 HB3 ALA 3 -18.735 -2.236 7.114 22 H LYS 4 HN LYS 4 -16.527 -2.753 5.057 23 HA LYS 4 HA LYS 4 -14.439 -1.894 5.165 24 HB2 LYS 4 HB2 LYS 4 -15.082 -1.078 7.391 25 HB3 LYS 4 HB1 LYS 4 -14.573 -2.605 8.099 26 HG2 LYS 4 HG2 LYS 4 -12.275 -2.173 7.414 27 HG3 LYS 4 HG1 LYS 4 -12.778 -0.645 6.686 28 HD2 LYS 4 HD2 LYS 4 -13.101 -1.335 9.610 29 HD3 LYS 4 HD1 LYS 4 -11.758 -0.400 8.948 30 HE2 LYS 4 HE2 LYS 4 -13.322 1.290 8.143 31 HE3 LYS 4 HE1 LYS 4 -14.675 0.353 8.775 32 HZ1 LYS 4 HZ1 LYS 4 -13.848 0.655 11.002 33 HZ2 LYS 4 HZ2 LYS 4 -14.006 2.175 10.258 34 HZ3 LYS 4 HZ3 LYS 4 -12.474 1.469 10.433 35 H GLY 5 HN GLY 5 -13.552 -3.439 3.815 36 HA2 GLY 5 HA2 GLY 5 -11.238 -4.620 4.434 37 HA3 GLY 5 HA1 GLY 5 -12.385 -5.831 4.980 38 H VAL 6 HN VAL 6 -10.377 -5.967 2.839 39 HA VAL 6 HA VAL 6 -12.177 -6.551 0.592 40 HB VAL 6 HB VAL 6 -9.213 -6.033 0.424 41 HG11 VAL 6 HG11 VAL 6 -10.065 -7.509 -1.331 42 HG12 VAL 6 HG12 VAL 6 -9.563 -5.951 -1.988 43 HG13 VAL 6 HG13 VAL 6 -11.277 -6.300 -1.759 44 HG21 VAL 6 HG21 VAL 6 -10.351 -3.987 1.032 45 HG22 VAL 6 HG22 VAL 6 -11.520 -4.224 -0.267 46 HG23 VAL 6 HG23 VAL 6 -9.828 -3.903 -0.651 47 H GLY 7 HN GLY 7 -8.876 -7.606 1.411 48 HA2 GLY 7 HA2 GLY 7 -8.345 -9.802 2.219 49 HA3 GLY 7 HA1 GLY 7 -9.871 -10.375 1.554 50 H VAL 8 HN VAL 8 -6.545 -9.877 0.992 51 HA VAL 8 HA VAL 8 -6.857 -10.526 -1.863 52 HB VAL 8 HB VAL 8 -4.882 -9.295 -2.381 53 HG11 VAL 8 HG11 VAL 8 -6.888 -7.933 -2.007 54 HG12 VAL 8 HG12 VAL 8 -5.402 -7.054 -1.663 55 HG13 VAL 8 HG13 VAL 8 -6.385 -7.676 -0.338 56 HG21 VAL 8 HG21 VAL 8 -3.439 -9.985 -0.570 57 HG22 VAL 8 HG22 VAL 8 -4.403 -9.066 0.591 58 HG23 VAL 8 HG23 VAL 8 -3.474 -8.219 -0.649 59 H SER 9 HN SER 9 -5.085 -11.829 -2.788 60 HA SER 9 HA SER 9 -4.363 -13.974 -1.001 61 HB2 SER 9 HB2 SER 9 -3.405 -14.976 -3.105 62 HB3 SER 9 HB1 SER 9 -5.124 -14.590 -3.205 63 HG SER 9 HG SER 9 -4.248 -13.777 -5.041 64 H ASN 10 HN ASN 10 -2.012 -14.859 -1.326 65 HA ASN 10 HA ASN 10 -0.209 -12.783 -0.502 66 HB2 ASN 10 HB2 ASN 10 0.338 -15.680 -1.200 67 HB3 ASN 10 HB1 ASN 10 1.503 -14.568 -0.495 68 HD21 ASN 10 HD21 ASN 10 1.359 -14.034 1.660 69 HD22 ASN 10 HD22 ASN 10 0.314 -14.860 2.760 70 H GLU 11 HN GLU 11 -1.131 -14.232 -3.441 71 HA GLU 11 HA GLU 11 1.019 -13.445 -5.087 72 HB2 GLU 11 HB2 GLU 11 -0.543 -14.959 -6.030 73 HB3 GLU 11 HB1 GLU 11 -1.913 -13.962 -5.567 74 HG2 GLU 11 HG2 GLU 11 -0.125 -12.562 -7.361 75 HG3 GLU 11 HG1 GLU 11 -0.728 -14.071 -8.058 76 H LYS 12 HN LYS 12 -1.940 -11.851 -4.049 77 HA LYS 12 HA LYS 12 -1.475 -9.396 -5.395 78 HB2 LYS 12 HB2 LYS 12 -3.163 -10.154 -3.011 79 HB3 LYS 12 HB1 LYS 12 -3.132 -8.527 -3.659 80 HG2 LYS 12 HG2 LYS 12 -3.882 -10.968 -5.259 81 HG3 LYS 12 HG1 LYS 12 -5.052 -9.928 -4.446 82 HD2 LYS 12 HD2 LYS 12 -4.304 -8.029 -5.806 83 HD3 LYS 12 HD1 LYS 12 -3.116 -9.065 -6.604 84 HE2 LYS 12 HE2 LYS 12 -6.113 -9.444 -6.679 85 HE3 LYS 12 HE1 LYS 12 -5.143 -8.744 -7.973 86 HZ1 LYS 12 HZ1 LYS 12 -5.264 -11.538 -7.049 87 HZ2 LYS 12 HZ2 LYS 12 -3.866 -10.974 -7.825 88 HZ3 LYS 12 HZ3 LYS 12 -5.362 -10.927 -8.628 89 H LEU 13 HN LEU 13 -0.634 -10.609 -2.207 90 HA LEU 13 HA LEU 13 0.622 -8.289 -1.216 91 HB2 LEU 13 HB2 LEU 13 0.078 -10.345 0.095 92 HB3 LEU 13 HB1 LEU 13 1.417 -11.164 -0.678 93 HG LEU 13 HG LEU 13 2.597 -8.890 0.327 94 HD11 LEU 13 HD11 LEU 13 1.903 -8.732 2.646 95 HD12 LEU 13 HD12 LEU 13 0.619 -9.902 2.356 96 HD13 LEU 13 HD13 LEU 13 0.570 -8.329 1.565 97 HD21 LEU 13 HD21 LEU 13 3.591 -10.412 1.964 98 HD22 LEU 13 HD22 LEU 13 3.526 -11.126 0.352 99 HD23 LEU 13 HD23 LEU 13 2.361 -11.620 1.584 100 H ASP 14 HN ASP 14 1.675 -10.692 -3.527 101 HA ASP 14 HA ASP 14 4.443 -9.954 -3.427 102 HB2 ASP 14 HB2 ASP 14 3.111 -12.130 -4.390 103 HB3 ASP 14 HB1 ASP 14 3.436 -11.280 -5.882 104 H ALA 15 HN ALA 15 1.605 -8.954 -5.082 105 HA ALA 15 HA ALA 15 2.987 -7.657 -7.255 106 HB1 ALA 15 HB1 ALA 15 0.769 -6.988 -8.002 107 HB2 ALA 15 HB2 ALA 15 0.071 -7.530 -6.475 108 HB3 ALA 15 HB3 ALA 15 0.774 -8.706 -7.584 109 H VAL 16 HN VAL 16 1.548 -6.741 -4.182 110 HA VAL 16 HA VAL 16 1.438 -3.983 -4.747 111 HB VAL 16 HB VAL 16 0.046 -4.812 -3.000 112 HG11 VAL 16 HG11 VAL 16 1.500 -6.668 -2.242 113 HG12 VAL 16 HG12 VAL 16 0.883 -5.696 -0.906 114 HG13 VAL 16 HG13 VAL 16 2.549 -5.490 -1.449 115 HG21 VAL 16 HG21 VAL 16 0.633 -3.247 -1.180 116 HG22 VAL 16 HG22 VAL 16 0.760 -2.517 -2.778 117 HG23 VAL 16 HG23 VAL 16 2.217 -3.025 -1.922 118 H MET 17 HN MET 17 3.899 -5.933 -3.098 119 HA MET 17 HA MET 17 5.348 -3.851 -1.955 120 HB2 MET 17 HB2 MET 17 6.424 -6.510 -2.946 121 HB3 MET 17 HB1 MET 17 7.207 -5.442 -1.802 122 HG2 MET 17 HG2 MET 17 5.425 -5.777 -0.201 123 HG3 MET 17 HG1 MET 17 4.566 -6.785 -1.358 124 HE1 MET 17 HE1 MET 17 6.950 -9.883 -1.656 125 HE2 MET 17 HE2 MET 17 6.966 -8.435 -2.660 126 HE3 MET 17 HE3 MET 17 5.429 -9.155 -2.185 127 H ARG 18 HN ARG 18 5.509 -5.118 -5.246 128 HA ARG 18 HA ARG 18 7.927 -3.683 -5.790 129 HB2 ARG 18 HB2 ARG 18 7.467 -4.347 -8.187 130 HB3 ARG 18 HB1 ARG 18 7.736 -5.651 -7.039 131 HG2 ARG 18 HG2 ARG 18 5.384 -6.117 -6.952 132 HG3 ARG 18 HG1 ARG 18 5.034 -4.697 -7.940 133 HD2 ARG 18 HD2 ARG 18 6.208 -5.672 -9.814 134 HD3 ARG 18 HD1 ARG 18 6.710 -7.038 -8.824 135 HE ARG 18 HE ARG 18 4.118 -7.349 -8.659 136 HH11 ARG 18 HH11 ARG 18 5.938 -6.319 -11.449 137 HH12 ARG 18 HH12 ARG 18 4.909 -7.124 -12.597 138 HH21 ARG 18 HH21 ARG 18 2.728 -8.414 -10.159 139 HH22 ARG 18 HH22 ARG 18 3.077 -8.315 -11.850 140 H VAL 19 HN VAL 19 4.545 -2.969 -5.979 141 HA VAL 19 HA VAL 19 4.868 -0.705 -7.721 142 HB VAL 19 HB VAL 19 2.632 -1.538 -5.846 143 HG11 VAL 19 HG11 VAL 19 2.791 0.874 -7.636 144 HG12 VAL 19 HG12 VAL 19 2.581 0.857 -5.890 145 HG13 VAL 19 HG13 VAL 19 1.301 0.259 -6.941 146 HG21 VAL 19 HG21 VAL 19 2.734 -1.393 -8.863 147 HG22 VAL 19 HG22 VAL 19 1.454 -2.086 -7.871 148 HG23 VAL 19 HG23 VAL 19 3.038 -2.858 -7.927 149 H VAL 20 HN VAL 20 4.896 -1.386 -4.342 150 HA VAL 20 HA VAL 20 5.165 1.280 -3.409 151 HB VAL 20 HB VAL 20 5.684 -1.456 -2.227 152 HG11 VAL 20 HG11 VAL 20 6.250 -0.404 -0.080 153 HG12 VAL 20 HG12 VAL 20 6.300 1.173 -0.876 154 HG13 VAL 20 HG13 VAL 20 7.464 -0.078 -1.320 155 HG21 VAL 20 HG21 VAL 20 3.823 0.801 -1.481 156 HG22 VAL 20 HG22 VAL 20 3.941 -0.748 -0.647 157 HG23 VAL 20 HG23 VAL 20 3.380 -0.687 -2.317 158 H SER 21 HN SER 21 7.425 -1.184 -4.502 159 HA SER 21 HA SER 21 9.766 0.078 -3.488 160 HB2 SER 21 HB2 SER 21 9.602 -2.356 -4.046 161 HB3 SER 21 HB1 SER 21 9.510 -1.940 -5.752 162 HG SER 21 HG SER 21 11.661 -0.959 -4.244 163 H GLU 22 HN GLU 22 7.784 0.669 -6.246 164 HA GLU 22 HA GLU 22 9.893 1.845 -7.816 165 HB2 GLU 22 HB2 GLU 22 6.947 1.441 -8.233 166 HB3 GLU 22 HB1 GLU 22 7.936 2.361 -9.371 167 HG2 GLU 22 HG2 GLU 22 8.283 -0.535 -8.625 168 HG3 GLU 22 HG1 GLU 22 7.658 0.093 -10.146 169 H GLU 23 HN GLU 23 6.944 2.939 -6.192 170 HA GLU 23 HA GLU 23 7.333 5.651 -7.036 171 HB2 GLU 23 HB2 GLU 23 5.375 4.618 -4.965 172 HB3 GLU 23 HB1 GLU 23 5.237 6.092 -5.900 173 HG2 GLU 23 HG2 GLU 23 5.257 3.345 -7.081 174 HG3 GLU 23 HG1 GLU 23 3.795 4.225 -6.656 175 H SER 24 HN SER 24 8.607 3.848 -4.503 176 HA SER 24 HA SER 24 8.893 6.177 -2.743 177 HB2 SER 24 HB2 SER 24 9.763 4.556 -1.105 178 HB3 SER 24 HB1 SER 24 8.154 4.118 -1.677 179 HG SER 24 HG SER 24 8.937 2.382 -2.601 180 H GLY 25 HN GLY 25 10.800 3.798 -4.519 181 HA2 GLY 25 HA2 GLY 25 12.941 4.326 -5.501 182 HA3 GLY 25 HA1 GLY 25 13.148 5.577 -4.280 183 H ILE 26 HN ILE 26 11.848 2.871 -2.857 184 HA ILE 26 HA ILE 26 14.428 2.105 -1.725 185 HB ILE 26 HB ILE 26 11.820 0.854 -0.944 186 HG12 ILE 26 HG12 ILE 26 12.835 3.424 0.292 187 HG13 ILE 26 HG11 ILE 26 11.590 3.389 -0.957 188 HG21 ILE 26 HG21 ILE 26 14.368 1.462 0.530 189 HG22 ILE 26 HG22 ILE 26 13.796 -0.119 -0.010 190 HG23 ILE 26 HG23 ILE 26 12.935 0.746 1.265 191 HD11 ILE 26 HD11 ILE 26 11.430 2.091 1.761 192 HD12 ILE 26 HD12 ILE 26 10.173 2.040 0.525 193 HD13 ILE 26 HD13 ILE 26 10.623 3.578 1.267 194 H ALA 27 HN ALA 27 15.490 0.601 -2.874 195 HA ALA 27 HA ALA 27 14.577 -1.172 -4.755 196 HB1 ALA 27 HB1 ALA 27 16.801 -1.662 -2.773 197 HB2 ALA 27 HB2 ALA 27 16.953 -0.744 -4.268 198 HB3 ALA 27 HB3 ALA 27 16.600 -2.471 -4.327 199 H LEU 28 HN LEU 28 13.863 -3.285 -4.781 200 HA LEU 28 HA LEU 28 11.963 -4.021 -2.899 201 HB2 LEU 28 HB2 LEU 28 12.026 -4.810 -5.221 202 HB3 LEU 28 HB1 LEU 28 13.473 -5.737 -4.882 203 HG LEU 28 HG LEU 28 12.074 -7.060 -3.217 204 HD11 LEU 28 HD11 LEU 28 10.193 -5.588 -2.944 205 HD12 LEU 28 HD12 LEU 28 9.638 -7.079 -3.704 206 HD13 LEU 28 HD13 LEU 28 9.862 -5.625 -4.675 207 HD21 LEU 28 HD21 LEU 28 11.114 -8.455 -5.005 208 HD22 LEU 28 HD22 LEU 28 12.772 -7.963 -5.344 209 HD23 LEU 28 HD23 LEU 28 11.431 -7.158 -6.160 210 H GLU 29 HN GLU 29 15.393 -4.720 -2.980 211 HA GLU 29 HA GLU 29 15.222 -6.810 -0.972 212 HB2 GLU 29 HB2 GLU 29 17.739 -5.441 -1.895 213 HB3 GLU 29 HB1 GLU 29 17.546 -7.066 -1.257 214 HG2 GLU 29 HG2 GLU 29 16.493 -7.817 -3.276 215 HG3 GLU 29 HG1 GLU 29 16.424 -6.168 -3.901 216 H GLU 30 HN GLU 30 15.185 -3.453 -0.913 217 HA GLU 30 HA GLU 30 16.391 -3.380 1.779 218 HB2 GLU 30 HB2 GLU 30 15.673 -1.004 0.051 219 HB3 GLU 30 HB1 GLU 30 16.592 -0.989 1.551 220 HG2 GLU 30 HG2 GLU 30 18.406 -2.197 0.417 221 HG3 GLU 30 HG1 GLU 30 17.473 -2.130 -1.077 222 H LEU 31 HN LEU 31 13.569 -3.545 0.099 223 HA LEU 31 HA LEU 31 11.889 -1.932 1.735 224 HB2 LEU 31 HB2 LEU 31 11.337 -2.627 -0.600 225 HB3 LEU 31 HB1 LEU 31 11.149 -4.278 -0.035 226 HG LEU 31 HG LEU 31 9.316 -3.476 1.469 227 HD11 LEU 31 HD11 LEU 31 8.317 -1.300 0.991 228 HD12 LEU 31 HD12 LEU 31 9.638 -0.939 -0.124 229 HD13 LEU 31 HD13 LEU 31 9.968 -1.136 1.595 230 HD21 LEU 31 HD21 LEU 31 9.000 -3.043 -1.489 231 HD22 LEU 31 HD22 LEU 31 7.674 -3.255 -0.346 232 HD23 LEU 31 HD23 LEU 31 8.821 -4.565 -0.624 233 H THR 32 HN THR 32 12.095 -2.431 3.851 234 HA THR 32 HA THR 32 11.330 -5.159 4.641 235 HB THR 32 HB THR 32 12.543 -4.841 6.719 236 HG1 THR 32 HG1 THR 32 13.630 -2.371 5.946 237 HG21 THR 32 HG21 THR 32 13.942 -5.627 4.897 238 HG22 THR 32 HG22 THR 32 14.868 -4.522 5.909 239 HG23 THR 32 HG23 THR 32 14.230 -3.967 4.357 240 H ASP 33 HN ASP 33 9.987 -5.214 6.647 241 HA ASP 33 HA ASP 33 7.878 -3.297 6.301 242 HB2 ASP 33 HB2 ASP 33 6.652 -4.605 7.985 243 HB3 ASP 33 HB1 ASP 33 7.291 -5.614 6.697 244 H ASP 34 HN ASP 34 10.701 -3.174 7.948 245 HA ASP 34 HA ASP 34 9.741 -1.610 10.198 246 HB2 ASP 34 HB2 ASP 34 12.567 -2.094 9.232 247 HB3 ASP 34 HB1 ASP 34 12.114 -1.332 10.752 248 H SER 35 HN SER 35 10.148 -1.018 6.971 249 HA SER 35 HA SER 35 11.362 1.616 7.179 250 HB2 SER 35 HB2 SER 35 10.019 0.267 4.821 251 HB3 SER 35 HB1 SER 35 10.968 1.750 4.757 252 HG SER 35 HG SER 35 12.337 -0.265 5.965 253 H ASN 36 HN ASN 36 10.343 3.556 6.557 254 HA ASN 36 HA ASN 36 7.478 3.560 7.266 255 HB2 ASN 36 HB2 ASN 36 9.143 4.359 9.040 256 HB3 ASN 36 HB1 ASN 36 9.492 5.699 7.968 257 HD21 ASN 36 HD21 ASN 36 7.202 4.377 10.234 258 HD22 ASN 36 HD22 ASN 36 6.146 5.741 10.246 259 H PHE 37 HN PHE 37 6.239 4.443 5.726 260 HA PHE 37 HA PHE 37 7.220 5.294 3.260 261 HB2 PHE 37 HB2 PHE 37 4.559 5.559 4.618 262 HB3 PHE 37 HB1 PHE 37 4.839 6.356 3.072 263 HD1 PHE 37 HD1 PHE 37 6.153 4.663 1.350 264 HD2 PHE 37 HD2 PHE 37 3.499 3.587 4.486 265 HE1 PHE 37 HE1 PHE 37 5.650 2.545 0.187 266 HE2 PHE 37 HE2 PHE 37 2.981 1.480 3.347 267 HZ PHE 37 HZ PHE 37 4.163 0.963 1.116 268 H ALA 38 HN ALA 38 5.879 7.269 5.897 269 HA ALA 38 HA ALA 38 6.334 9.748 4.601 270 HB1 ALA 38 HB1 ALA 38 5.812 10.751 6.741 271 HB2 ALA 38 HB2 ALA 38 5.998 9.185 7.538 272 HB3 ALA 38 HB3 ALA 38 4.689 9.439 6.383 273 H ASP 39 HN ASP 39 8.315 7.691 6.587 274 HA ASP 39 HA ASP 39 10.287 9.649 7.220 275 HB2 ASP 39 HB2 ASP 39 9.994 7.556 8.535 276 HB3 ASP 39 HB1 ASP 39 10.595 6.640 7.153 277 H MET 40 HN MET 40 9.671 7.583 4.534 278 HA MET 40 HA MET 40 12.361 7.776 3.501 279 HB2 MET 40 HB2 MET 40 9.855 6.417 2.596 280 HB3 MET 40 HB1 MET 40 11.203 6.610 1.478 281 HG2 MET 40 HG2 MET 40 11.499 5.380 4.191 282 HG3 MET 40 HG1 MET 40 11.106 4.438 2.749 283 HE1 MET 40 HE1 MET 40 13.665 3.815 4.588 284 HE2 MET 40 HE2 MET 40 14.862 3.508 3.332 285 HE3 MET 40 HE3 MET 40 13.217 2.906 3.145 286 H GLY 41 HN GLY 41 9.452 9.544 3.268 287 HA2 GLY 41 HA2 GLY 41 9.630 11.797 2.324 288 HA3 GLY 41 HA1 GLY 41 10.625 11.109 1.048 289 H ILE 42 HN ILE 42 7.964 9.180 1.943 290 HA ILE 42 HA ILE 42 6.706 9.435 -0.586 291 HB ILE 42 HB ILE 42 5.751 8.187 2.004 292 HG12 ILE 42 HG12 ILE 42 7.697 7.170 0.779 293 HG13 ILE 42 HG11 ILE 42 6.309 6.097 0.966 294 HG21 ILE 42 HG21 ILE 42 4.422 8.097 -0.702 295 HG22 ILE 42 HG22 ILE 42 3.798 8.884 0.751 296 HG23 ILE 42 HG23 ILE 42 3.965 7.128 0.701 297 HD11 ILE 42 HD11 ILE 42 7.057 7.626 -1.520 298 HD12 ILE 42 HD12 ILE 42 5.651 6.569 -1.345 299 HD13 ILE 42 HD13 ILE 42 7.283 5.894 -1.246 300 H ASP 43 HN ASP 43 5.781 11.248 -1.207 301 HA ASP 43 HA ASP 43 4.547 13.099 0.653 302 HB2 ASP 43 HB2 ASP 43 5.881 13.813 -1.351 303 HB3 ASP 43 HB1 ASP 43 4.614 13.157 -2.378 304 H SER 44 HN SER 44 2.327 13.942 0.192 305 HA SER 44 HA SER 44 0.292 12.060 0.120 306 HB2 SER 44 HB2 SER 44 -0.169 14.243 0.940 307 HB3 SER 44 HB1 SER 44 0.358 14.998 -0.563 308 H LEU 45 HN LEU 45 1.929 13.792 -2.444 309 HA LEU 45 HA LEU 45 0.345 13.020 -4.627 310 HB2 LEU 45 HB2 LEU 45 2.246 14.709 -4.570 311 HB3 LEU 45 HB1 LEU 45 3.357 13.354 -4.609 312 HG LEU 45 HG LEU 45 2.983 14.539 -6.792 313 HD11 LEU 45 HD11 LEU 45 3.934 12.294 -6.717 314 HD12 LEU 45 HD12 LEU 45 2.904 12.504 -8.134 315 HD13 LEU 45 HD13 LEU 45 2.312 11.600 -6.740 316 HD21 LEU 45 HD21 LEU 45 0.586 14.924 -6.582 317 HD22 LEU 45 HD22 LEU 45 0.294 13.187 -6.646 318 HD23 LEU 45 HD23 LEU 45 0.955 14.019 -8.051 319 H SER 46 HN SER 46 3.403 11.533 -3.528 320 HA SER 46 HA SER 46 3.348 9.380 -5.306 321 HB2 SER 46 HB2 SER 46 4.649 9.308 -2.592 322 HB3 SER 46 HB1 SER 46 5.192 8.544 -4.087 323 HG SER 46 HG SER 46 6.289 10.288 -4.441 324 H SER 47 HN SER 47 2.213 9.579 -1.948 325 HA SER 47 HA SER 47 1.636 6.825 -1.691 326 HB2 SER 47 HB2 SER 47 0.221 7.577 0.249 327 HB3 SER 47 HB1 SER 47 1.881 8.176 0.281 328 HG SER 47 HG SER 47 1.191 10.167 -0.327 329 H MET 48 HN MET 48 -0.151 9.518 -2.976 330 HA MET 48 HA MET 48 -2.691 8.193 -3.097 331 HB2 MET 48 HB2 MET 48 -2.212 10.720 -3.123 332 HB3 MET 48 HB1 MET 48 -1.799 10.507 -4.813 333 HG2 MET 48 HG2 MET 48 -4.091 11.293 -4.538 334 HG3 MET 48 HG1 MET 48 -4.040 9.697 -5.287 335 HE1 MET 48 HE1 MET 48 -6.612 9.382 -4.799 336 HE2 MET 48 HE2 MET 48 -6.688 10.973 -4.043 337 HE3 MET 48 HE3 MET 48 -7.345 9.564 -3.206 338 H VAL 49 HN VAL 49 0.128 8.467 -5.076 339 HA VAL 49 HA VAL 49 -1.148 7.551 -7.487 340 HB VAL 49 HB VAL 49 1.765 8.001 -6.768 341 HG11 VAL 49 HG11 VAL 49 2.344 7.678 -9.064 342 HG12 VAL 49 HG12 VAL 49 0.653 7.461 -9.519 343 HG13 VAL 49 HG13 VAL 49 1.459 6.248 -8.528 344 HG21 VAL 49 HG21 VAL 49 -0.114 9.569 -8.545 345 HG22 VAL 49 HG22 VAL 49 1.576 9.952 -8.221 346 HG23 VAL 49 HG23 VAL 49 0.389 10.035 -6.921 347 H ILE 50 HN ILE 50 0.913 6.124 -4.978 348 HA ILE 50 HA ILE 50 1.219 3.576 -6.016 349 HB ILE 50 HB ILE 50 0.734 4.309 -3.123 350 HG12 ILE 50 HG12 ILE 50 3.330 4.018 -4.656 351 HG13 ILE 50 HG11 ILE 50 2.616 5.548 -4.166 352 HG21 ILE 50 HG21 ILE 50 1.966 2.238 -2.631 353 HG22 ILE 50 HG22 ILE 50 2.034 1.882 -4.358 354 HG23 ILE 50 HG23 ILE 50 0.476 1.921 -3.529 355 HD11 ILE 50 HD11 ILE 50 2.912 4.965 -1.833 356 HD12 ILE 50 HD12 ILE 50 4.446 4.850 -2.700 357 HD13 ILE 50 HD13 ILE 50 3.551 3.387 -2.292 358 H GLY 51 HN GLY 51 -1.408 4.787 -3.899 359 HA2 GLY 51 HA2 GLY 51 -2.986 2.450 -4.008 360 HA3 GLY 51 HA1 GLY 51 -3.581 4.057 -3.616 361 H SER 52 HN SER 52 -2.625 5.102 -6.217 362 HA SER 52 HA SER 52 -4.903 4.611 -7.774 363 HB2 SER 52 HB2 SER 52 -2.357 6.098 -8.069 364 HB3 SER 52 HB1 SER 52 -3.335 5.890 -9.499 365 HG SER 52 HG SER 52 -3.937 7.235 -7.084 366 H ARG 53 HN ARG 53 -1.496 3.580 -8.066 367 HA ARG 53 HA ARG 53 -1.844 2.103 -10.443 368 HB2 ARG 53 HB2 ARG 53 0.182 1.762 -8.236 369 HB3 ARG 53 HB1 ARG 53 0.245 0.917 -9.775 370 HG2 ARG 53 HG2 ARG 53 0.208 3.276 -10.803 371 HG3 ARG 53 HG1 ARG 53 0.676 3.812 -9.190 372 HD2 ARG 53 HD2 ARG 53 2.777 3.436 -9.953 373 HD3 ARG 53 HD1 ARG 53 2.381 1.772 -9.520 374 HE ARG 53 HE ARG 53 1.555 1.814 -12.059 375 HH11 ARG 53 HH11 ARG 53 4.509 3.112 -10.652 376 HH12 ARG 53 HH12 ARG 53 5.494 2.638 -12.008 377 HH21 ARG 53 HH21 ARG 53 2.864 1.171 -13.809 378 HH22 ARG 53 HH22 ARG 53 4.571 1.518 -13.788 379 H PHE 54 HN PHE 54 -2.473 1.366 -7.091 380 HA PHE 54 HA PHE 54 -2.702 -1.419 -7.175 381 HB2 PHE 54 HB2 PHE 54 -4.287 0.682 -5.682 382 HB3 PHE 54 HB1 PHE 54 -4.604 -1.034 -5.496 383 HD1 PHE 54 HD1 PHE 54 -1.245 -1.081 -5.973 384 HD2 PHE 54 HD2 PHE 54 -4.110 0.297 -3.157 385 HE1 PHE 54 HE1 PHE 54 0.454 -1.200 -4.192 386 HE2 PHE 54 HE2 PHE 54 -2.425 0.174 -1.374 387 HZ PHE 54 HZ PHE 54 -0.140 -0.573 -1.893 388 H ARG 55 HN ARG 55 -4.904 1.111 -8.234 389 HA ARG 55 HA ARG 55 -6.975 -0.770 -8.902 390 HB2 ARG 55 HB2 ARG 55 -6.749 2.191 -9.464 391 HB3 ARG 55 HB1 ARG 55 -8.180 1.204 -9.741 392 HG2 ARG 55 HG2 ARG 55 -8.067 0.641 -7.270 393 HG3 ARG 55 HG1 ARG 55 -6.918 1.977 -7.128 394 HD2 ARG 55 HD2 ARG 55 -9.222 2.687 -6.636 395 HD3 ARG 55 HD1 ARG 55 -8.581 3.505 -8.062 396 HE ARG 55 HE ARG 55 -9.838 1.607 -9.297 397 HH11 ARG 55 HH11 ARG 55 -10.942 3.287 -6.414 398 HH12 ARG 55 HH12 ARG 55 -12.624 2.975 -6.738 399 HH21 ARG 55 HH21 ARG 55 -12.041 1.242 -9.712 400 HH22 ARG 55 HH22 ARG 55 -13.237 1.809 -8.588 401 H GLU 56 HN GLU 56 -4.408 0.910 -10.591 402 HA GLU 56 HA GLU 56 -5.594 0.370 -13.177 403 HB2 GLU 56 HB2 GLU 56 -3.040 1.748 -12.363 404 HB3 GLU 56 HB1 GLU 56 -3.530 1.524 -14.036 405 HG2 GLU 56 HG2 GLU 56 -5.012 3.082 -11.932 406 HG3 GLU 56 HG1 GLU 56 -4.075 3.748 -13.271 407 H ASP 57 HN ASP 57 -2.432 -0.259 -11.720 408 HA ASP 57 HA ASP 57 -1.661 -2.050 -13.787 409 HB2 ASP 57 HB2 ASP 57 -0.437 -1.435 -11.093 410 HB3 ASP 57 HB1 ASP 57 0.319 -2.456 -12.306 411 H LEU 58 HN LEU 58 -2.943 -2.462 -10.542 412 HA LEU 58 HA LEU 58 -2.739 -5.378 -10.808 413 HB2 LEU 58 HB2 LEU 58 -3.112 -3.527 -8.484 414 HB3 LEU 58 HB1 LEU 58 -3.677 -5.178 -8.354 415 HG LEU 58 HG LEU 58 -1.414 -6.015 -8.750 416 HD11 LEU 58 HD11 LEU 58 -0.529 -3.134 -8.727 417 HD12 LEU 58 HD12 LEU 58 -0.610 -4.154 -10.163 418 HD13 LEU 58 HD13 LEU 58 0.499 -4.564 -8.856 419 HD21 LEU 58 HD21 LEU 58 -0.396 -5.208 -6.641 420 HD22 LEU 58 HD22 LEU 58 -2.094 -5.653 -6.468 421 HD23 LEU 58 HD23 LEU 58 -1.634 -3.954 -6.559 422 H GLY 59 HN GLY 59 -5.166 -2.979 -9.751 423 HA2 GLY 59 HA2 GLY 59 -7.341 -2.999 -10.890 424 HA3 GLY 59 HA1 GLY 59 -7.229 -4.752 -10.914 425 H LEU 60 HN LEU 60 -6.319 -2.914 -8.089 426 HA LEU 60 HA LEU 60 -8.318 -4.298 -6.509 427 HB2 LEU 60 HB2 LEU 60 -6.323 -2.197 -5.656 428 HB3 LEU 60 HB1 LEU 60 -7.208 -3.277 -4.602 429 HG LEU 60 HG LEU 60 -5.116 -4.145 -6.597 430 HD11 LEU 60 HD11 LEU 60 -4.950 -3.869 -3.594 431 HD12 LEU 60 HD12 LEU 60 -4.149 -2.827 -4.770 432 HD13 LEU 60 HD13 LEU 60 -3.697 -4.528 -4.641 433 HD21 LEU 60 HD21 LEU 60 -6.438 -5.698 -4.378 434 HD22 LEU 60 HD22 LEU 60 -5.283 -6.305 -5.564 435 HD23 LEU 60 HD23 LEU 60 -6.893 -5.811 -6.076 436 H ASP 61 HN ASP 61 -10.393 -3.440 -6.441 437 HA ASP 61 HA ASP 61 -10.708 -0.592 -6.852 438 HB2 ASP 61 HB2 ASP 61 -13.097 -0.990 -6.945 439 HB3 ASP 61 HB1 ASP 61 -12.252 -2.123 -7.995 440 H LEU 62 HN LEU 62 -9.405 -0.336 -4.883 441 HA LEU 62 HA LEU 62 -10.377 -0.866 -2.283 442 HB2 LEU 62 HB2 LEU 62 -8.570 1.370 -3.199 443 HB3 LEU 62 HB1 LEU 62 -8.728 0.783 -1.558 444 HG LEU 62 HG LEU 62 -7.750 -0.992 -3.776 445 HD11 LEU 62 HD11 LEU 62 -6.107 0.796 -1.999 446 HD12 LEU 62 HD12 LEU 62 -6.352 1.003 -3.731 447 HD13 LEU 62 HD13 LEU 62 -5.482 -0.407 -3.124 448 HD21 LEU 62 HD21 LEU 62 -8.414 -2.119 -1.734 449 HD22 LEU 62 HD22 LEU 62 -7.425 -1.019 -0.777 450 HD23 LEU 62 HD23 LEU 62 -6.655 -2.152 -1.887 451 H GLY 63 HN GLY 63 -10.089 2.276 -3.865 452 HA2 GLY 63 HA2 GLY 63 -12.661 3.213 -3.571 453 HA3 GLY 63 HA1 GLY 63 -11.819 3.601 -2.074 454 HA PRO 64 HA PRO 64 -10.697 6.693 -5.406 455 HB2 PRO 64 HB2 PRO 64 -12.218 8.816 -4.726 456 HB3 PRO 64 HB1 PRO 64 -12.805 7.521 -5.797 457 HG2 PRO 64 HG2 PRO 64 -13.353 7.998 -2.903 458 HG3 PRO 64 HG1 PRO 64 -14.439 7.397 -4.165 459 HD2 PRO 64 HD2 PRO 64 -13.138 5.821 -2.287 460 HD3 PRO 64 HD1 PRO 64 -13.795 5.242 -3.829 461 H GLU 65 HN GLU 65 -11.254 7.196 -1.924 462 HA GLU 65 HA GLU 65 -9.022 9.100 -1.911 463 HB2 GLU 65 HB2 GLU 65 -11.396 8.808 -0.066 464 HB3 GLU 65 HB1 GLU 65 -9.960 9.706 0.409 465 HG2 GLU 65 HG2 GLU 65 -11.566 11.269 -0.365 466 HG3 GLU 65 HG1 GLU 65 -10.301 11.171 -1.583 467 H PHE 66 HN PHE 66 -7.931 6.838 -2.074 468 HA PHE 66 HA PHE 66 -7.317 5.994 0.676 469 HB2 PHE 66 HB2 PHE 66 -8.063 4.129 -0.756 470 HB3 PHE 66 HB1 PHE 66 -6.781 4.492 -1.908 471 HD1 PHE 66 HD2 PHE 66 -7.494 3.275 1.501 472 HD2 PHE 66 HD1 PHE 66 -4.580 3.681 -1.574 473 HE1 PHE 66 HE2 PHE 66 -6.000 1.747 2.716 474 HE2 PHE 66 HE1 PHE 66 -3.095 2.156 -0.366 475 HZ PHE 66 HZ PHE 66 -3.785 1.195 1.780 476 H SER 67 HN SER 67 -5.613 6.969 1.473 477 HA SER 67 HA SER 67 -3.343 7.529 -0.303 478 HB2 SER 67 HB2 SER 67 -4.275 9.385 1.896 479 HB3 SER 67 HB1 SER 67 -3.071 9.705 0.648 480 HG SER 67 HG SER 67 -4.782 9.519 -0.906 481 H LEU 68 HN LEU 68 -1.611 6.508 0.380 482 HA LEU 68 HA LEU 68 -1.370 5.243 2.886 483 HB2 LEU 68 HB2 LEU 68 0.791 5.993 0.924 484 HB3 LEU 68 HB1 LEU 68 0.978 4.872 2.255 485 HG LEU 68 HG LEU 68 -0.796 4.501 -0.153 486 HD11 LEU 68 HD11 LEU 68 0.788 2.565 -0.504 487 HD12 LEU 68 HD12 LEU 68 1.829 3.320 0.708 488 HD13 LEU 68 HD13 LEU 68 1.449 4.176 -0.789 489 HD21 LEU 68 HD21 LEU 68 -1.796 3.527 1.836 490 HD22 LEU 68 HD22 LEU 68 -0.288 2.697 2.205 491 HD23 LEU 68 HD23 LEU 68 -1.200 2.264 0.759 492 H PHE 69 HN PHE 69 -0.888 8.452 1.957 493 HA PHE 69 HA PHE 69 1.110 9.110 3.908 494 HB2 PHE 69 HB2 PHE 69 0.862 10.235 1.689 495 HB3 PHE 69 HB1 PHE 69 -0.666 10.911 2.241 496 HD1 PHE 69 HD1 PHE 69 2.854 10.673 3.424 497 HD2 PHE 69 HD2 PHE 69 -0.615 13.065 2.927 498 HE1 PHE 69 HE1 PHE 69 4.075 12.612 4.319 499 HE2 PHE 69 HE2 PHE 69 0.593 15.016 3.824 500 HZ PHE 69 HZ PHE 69 2.946 14.792 4.523 501 H ILE 70 HN ILE 70 -2.211 8.551 4.023 502 HA ILE 70 HA ILE 70 -2.523 10.412 6.296 503 HB ILE 70 HB ILE 70 -4.668 9.599 4.298 504 HG12 ILE 70 HG12 ILE 70 -3.463 12.289 4.993 505 HG13 ILE 70 HG11 ILE 70 -3.115 11.374 3.533 506 HG21 ILE 70 HG21 ILE 70 -4.937 11.305 6.773 507 HG22 ILE 70 HG22 ILE 70 -5.580 9.676 6.570 508 HG23 ILE 70 HG23 ILE 70 -6.193 10.999 5.577 509 HD11 ILE 70 HD11 ILE 70 -5.444 11.576 2.842 510 HD12 ILE 70 HD12 ILE 70 -4.700 13.156 3.087 511 HD13 ILE 70 HD13 ILE 70 -5.795 12.498 4.304 512 H ASP 71 HN ASP 71 -3.339 7.194 5.033 513 HA ASP 71 HA ASP 71 -4.360 6.547 7.731 514 HB2 ASP 71 HB2 ASP 71 -5.877 6.460 5.525 515 HB3 ASP 71 HB1 ASP 71 -5.157 4.854 5.421 516 H CYS 72 HN CYS 72 -1.650 6.333 6.315 517 HA CYS 72 HA CYS 72 -1.015 3.694 7.328 518 HB2 CYS 72 HB2 CYS 72 -0.336 4.523 4.491 519 HB3 CYS 72 HB1 CYS 72 0.219 3.055 5.291 520 HG CYS 72 HG CYS 72 -2.991 2.997 5.574 521 H THR 73 HN THR 73 1.305 3.449 7.660 522 HA THR 73 HA THR 73 2.783 5.985 7.586 523 HB THR 73 HB THR 73 3.560 5.593 9.899 524 HG1 THR 73 HG1 THR 73 2.043 3.966 11.029 525 HG21 THR 73 HG21 THR 73 0.570 5.666 9.502 526 HG22 THR 73 HG22 THR 73 1.665 7.047 9.635 527 HG23 THR 73 HG23 THR 73 1.365 6.022 11.041 528 H THR 74 HN THR 74 3.267 2.610 8.707 529 HA THR 74 HA THR 74 5.891 2.615 7.437 530 HB THR 74 HB THR 74 6.302 0.532 8.624 531 HG1 THR 74 HG1 THR 74 4.123 0.272 10.146 532 HG21 THR 74 HG21 THR 74 4.890 2.539 10.386 533 HG22 THR 74 HG22 THR 74 6.592 2.579 9.921 534 HG23 THR 74 HG23 THR 74 5.989 1.282 10.955 535 H VAL 75 HN VAL 75 6.393 0.244 6.475 536 HA VAL 75 HA VAL 75 4.729 -0.002 4.160 537 HB VAL 75 HB VAL 75 6.550 -2.231 4.675 538 HG11 VAL 75 HG11 VAL 75 7.341 -1.631 2.409 539 HG12 VAL 75 HG12 VAL 75 6.246 -0.248 2.436 540 HG13 VAL 75 HG13 VAL 75 5.598 -1.891 2.502 541 HG21 VAL 75 HG21 VAL 75 7.889 -0.661 5.824 542 HG22 VAL 75 HG22 VAL 75 7.620 0.569 4.587 543 HG23 VAL 75 HG23 VAL 75 8.585 -0.861 4.217 544 H ARG 76 HN ARG 76 5.452 -1.897 7.009 545 HA ARG 76 HA ARG 76 4.042 -4.190 6.527 546 HB2 ARG 76 HB2 ARG 76 5.505 -3.934 8.435 547 HB3 ARG 76 HB1 ARG 76 4.404 -2.761 9.151 548 HG2 ARG 76 HG2 ARG 76 2.771 -4.398 9.573 549 HG3 ARG 76 HG1 ARG 76 3.560 -5.572 8.514 550 HD2 ARG 76 HD2 ARG 76 3.950 -6.124 10.842 551 HD3 ARG 76 HD1 ARG 76 5.448 -5.658 10.044 552 HE ARG 76 HE ARG 76 3.965 -3.654 11.584 553 HH11 ARG 76 HH11 ARG 76 6.908 -5.492 11.067 554 HH12 ARG 76 HH12 ARG 76 7.731 -4.795 12.427 555 HH21 ARG 76 HH21 ARG 76 5.053 -2.734 13.388 556 HH22 ARG 76 HH22 ARG 76 6.683 -3.224 13.747 557 H ALA 77 HN ALA 77 2.876 -1.111 7.695 558 HA ALA 77 HA ALA 77 0.319 -1.805 8.529 559 HB1 ALA 77 HB1 ALA 77 1.385 0.400 8.868 560 HB2 ALA 77 HB2 ALA 77 -0.251 0.519 8.216 561 HB3 ALA 77 HB3 ALA 77 1.141 0.750 7.157 562 H LEU 78 HN LEU 78 1.576 -1.293 5.285 563 HA LEU 78 HA LEU 78 -0.992 -1.185 4.005 564 HB2 LEU 78 HB2 LEU 78 1.567 -0.567 3.274 565 HB3 LEU 78 HB1 LEU 78 1.317 -2.062 2.404 566 HG LEU 78 HG LEU 78 -0.539 0.302 2.200 567 HD11 LEU 78 HD11 LEU 78 0.628 0.690 0.026 568 HD12 LEU 78 HD12 LEU 78 1.867 -0.451 0.559 569 HD13 LEU 78 HD13 LEU 78 1.594 1.041 1.455 570 HD21 LEU 78 HD21 LEU 78 -1.206 -0.753 0.101 571 HD22 LEU 78 HD22 LEU 78 -1.543 -1.782 1.499 572 HD23 LEU 78 HD23 LEU 78 -0.157 -2.124 0.458 573 H LYS 79 HN LYS 79 1.540 -3.615 4.310 574 HA LYS 79 HA LYS 79 0.366 -5.707 2.901 575 HB2 LYS 79 HB2 LYS 79 1.724 -6.606 5.334 576 HB3 LYS 79 HB1 LYS 79 1.994 -7.019 3.661 577 HG2 LYS 79 HG2 LYS 79 3.456 -5.195 3.319 578 HG3 LYS 79 HG1 LYS 79 2.923 -4.388 4.783 579 HD2 LYS 79 HD2 LYS 79 4.863 -6.660 4.484 580 HD3 LYS 79 HD1 LYS 79 4.988 -5.170 5.413 581 HE2 LYS 79 HE2 LYS 79 4.685 -6.695 7.078 582 HE3 LYS 79 HE1 LYS 79 3.036 -6.146 6.803 583 HZ1 LYS 79 HZ1 LYS 79 3.218 -8.564 7.047 584 HZ2 LYS 79 HZ2 LYS 79 4.186 -8.639 5.660 585 HZ3 LYS 79 HZ3 LYS 79 2.576 -8.125 5.545 586 H ASP 80 HN ASP 80 0.437 -5.290 6.401 587 HA ASP 80 HA ASP 80 -1.365 -7.275 7.083 588 HB2 ASP 80 HB2 ASP 80 0.101 -6.006 8.653 589 HB3 ASP 80 HB1 ASP 80 -1.004 -4.642 8.517 590 H PHE 81 HN PHE 81 -2.012 -3.965 6.114 591 HA PHE 81 HA PHE 81 -4.731 -3.849 6.795 592 HB2 PHE 81 HB2 PHE 81 -3.227 -1.918 6.119 593 HB3 PHE 81 HB1 PHE 81 -3.472 -2.419 4.450 594 HD1 PHE 81 HD1 PHE 81 -5.327 -1.416 7.507 595 HD2 PHE 81 HD2 PHE 81 -5.286 -1.597 3.257 596 HE1 PHE 81 HE1 PHE 81 -7.387 -0.069 7.436 597 HE2 PHE 81 HE2 PHE 81 -7.345 -0.252 3.174 598 HZ PHE 81 HZ PHE 81 -8.400 0.512 5.266 599 H MET 82 HN MET 82 -3.088 -4.998 3.896 600 HA MET 82 HA MET 82 -5.234 -5.336 2.180 601 HB2 MET 82 HB2 MET 82 -2.773 -7.026 2.502 602 HB3 MET 82 HB1 MET 82 -3.933 -7.253 1.202 603 HG2 MET 82 HG2 MET 82 -3.476 -4.730 0.708 604 HG3 MET 82 HG1 MET 82 -2.019 -5.019 1.666 605 HE1 MET 82 HE1 MET 82 -1.445 -5.129 -2.416 606 HE2 MET 82 HE2 MET 82 -1.646 -3.980 -1.093 607 HE3 MET 82 HE3 MET 82 -3.066 -4.720 -1.846 608 H LEU 83 HN LEU 83 -4.000 -7.648 4.575 609 HA LEU 83 HA LEU 83 -6.005 -9.582 3.846 610 HB2 LEU 83 HB2 LEU 83 -3.940 -9.591 6.059 611 HB3 LEU 83 HB1 LEU 83 -5.014 -10.930 5.719 612 HG LEU 83 HG LEU 83 -3.960 -10.980 3.378 613 HD11 LEU 83 HD11 LEU 83 -1.720 -10.070 3.172 614 HD12 LEU 83 HD12 LEU 83 -1.863 -9.323 4.762 615 HD13 LEU 83 HD13 LEU 83 -2.901 -8.790 3.440 616 HD21 LEU 83 HD21 LEU 83 -2.181 -11.628 5.733 617 HD22 LEU 83 HD22 LEU 83 -2.085 -12.330 4.120 618 HD23 LEU 83 HD23 LEU 83 -3.486 -12.657 5.137 619 H GLY 84 HN GLY 84 -5.539 -7.224 6.405 620 HA2 GLY 84 HA2 GLY 84 -7.962 -6.553 7.069 621 HA3 GLY 84 HA1 GLY 84 -7.992 -8.195 7.692 622 H SER 85 HN SER 85 -6.608 -5.014 8.059 623 HA SER 85 HA SER 85 -5.006 -5.700 10.344 624 HB2 SER 85 HB2 SER 85 -4.707 -3.784 8.583 625 HB3 SER 85 HB1 SER 85 -5.792 -2.903 9.659 626 HG SER 85 HG SER 85 -3.377 -4.181 10.443 627 H GLY 86 HN GLY 86 -7.192 -6.689 11.284 628 HA2 GLY 86 HA2 GLY 86 -8.157 -4.670 13.203 629 HA3 GLY 86 HA1 GLY 86 -9.291 -5.777 12.437 630 H ASP 87 HN ASP 87 -9.816 -7.472 13.632 631 HA ASP 87 HA ASP 87 -8.208 -8.261 15.892 632 HB2 ASP 87 HB2 ASP 87 -10.742 -9.413 14.697 633 HB3 ASP 87 HB1 ASP 87 -9.942 -10.095 16.110 634 H ALA 88 HN ALA 88 -7.160 -10.295 16.137 635 HA ALA 88 HA ALA 88 -6.761 -11.845 13.713 636 HB1 ALA 88 HB1 ALA 88 -4.486 -10.713 15.345 637 HB2 ALA 88 HB2 ALA 88 -4.955 -10.178 13.732 638 HB3 ALA 88 HB3 ALA 88 -4.334 -11.809 13.976 639 H GLY 89 HN GLY 89 -4.862 -13.521 14.605 640 HA2 GLY 89 HA2 GLY 89 -4.692 -14.694 16.964 641 HA3 GLY 89 HA1 GLY 89 -6.372 -15.054 16.577 642 H282 PNS 90 H28A PNS 44 -1.431 15.761 -3.531 643 H281 PNS 90 H28B PNS 44 -1.746 14.036 -3.350 644 H303 PNS 90 H30A PNS 44 -1.362 14.548 -5.911 645 H302 PNS 90 H30B PNS 44 -2.910 14.200 -6.683 646 H301 PNS 90 H30C PNS 44 -2.310 13.155 -5.394 647 H313 PNS 90 H31A PNS 44 -4.372 13.458 -4.085 648 H312 PNS 90 H31B PNS 44 -5.040 14.484 -5.352 649 H311 PNS 90 H31C PNS 44 -4.949 15.079 -3.696 650 H32 PNS 90 H32A PNS 44 -2.249 16.954 -5.269 651 H33 PNS 90 H33A PNS 44 -3.702 17.368 -6.985 652 H36 PNS 90 H36A PNS 44 -5.221 17.738 -6.084 653 H372 PNS 90 H37A PNS 44 -7.108 18.199 -4.407 654 H371 PNS 90 H37B PNS 44 -5.844 19.052 -3.528 655 H382 PNS 90 H38A PNS 44 -7.080 20.674 -4.739 656 H381 PNS 90 H38B PNS 44 -5.518 20.503 -5.532 657 H41 PNS 90 H41A PNS 44 -7.743 17.957 -5.982 658 H422 PNS 90 H42A PNS 44 -9.018 18.956 -8.381 659 H421 PNS 90 H42B PNS 44 -7.809 17.700 -8.639 660 H431 PNS 90 H43A PNS 44 -9.946 16.652 -8.508 661 H432 PNS 90 H43B PNS 44 -10.332 17.502 -7.011 662 H44 PNS 90 H1 PNS 44 -9.854 14.801 -6.423 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 -18.015 3.170 -4.544 2 H2 ALA 1 HT2 ALA 1 -18.050 2.223 -5.946 3 H3 ALA 1 HT3 ALA 1 -16.684 2.195 -4.946 4 HA ALA 1 HA ALA 1 -19.392 1.208 -4.262 5 HB1 ALA 1 HB1 ALA 1 -16.802 -0.282 -4.686 6 HB2 ALA 1 HB2 ALA 1 -18.165 -0.247 -5.804 7 HB3 ALA 1 HB3 ALA 1 -18.346 -0.994 -4.217 8 H MET 2 HN MET 2 -19.231 -0.181 -2.234 9 HA MET 2 HA MET 2 -17.345 1.026 -0.319 10 HB2 MET 2 HB2 MET 2 -19.642 1.831 0.069 11 HB3 MET 2 HB1 MET 2 -20.202 0.170 0.198 12 HG2 MET 2 HG2 MET 2 -18.838 -0.158 2.180 13 HG3 MET 2 HG1 MET 2 -18.223 1.487 2.045 14 HE1 MET 2 HE1 MET 2 -20.524 1.645 5.219 15 HE2 MET 2 HE2 MET 2 -18.892 1.856 4.586 16 HE3 MET 2 HE3 MET 2 -19.588 0.239 4.706 17 H ALA 3 HN ALA 3 -15.974 -0.531 0.505 18 HA ALA 3 HA ALA 3 -16.958 -3.264 0.735 19 HB1 ALA 3 HB1 ALA 3 -14.975 -4.174 -0.292 20 HB2 ALA 3 HB2 ALA 3 -14.307 -2.559 -0.523 21 HB3 ALA 3 HB3 ALA 3 -15.745 -3.054 -1.417 22 H LYS 4 HN LYS 4 -16.258 -4.292 2.467 23 HA LYS 4 HA LYS 4 -14.071 -3.155 4.045 24 HB2 LYS 4 HB2 LYS 4 -16.186 -2.273 4.988 25 HB3 LYS 4 HB1 LYS 4 -16.755 -3.919 5.219 26 HG2 LYS 4 HG2 LYS 4 -14.968 -4.331 6.818 27 HG3 LYS 4 HG1 LYS 4 -14.341 -2.704 6.548 28 HD2 LYS 4 HD2 LYS 4 -16.395 -1.743 7.408 29 HD3 LYS 4 HD1 LYS 4 -17.080 -3.356 7.626 30 HE2 LYS 4 HE2 LYS 4 -14.583 -2.350 8.979 31 HE3 LYS 4 HE1 LYS 4 -16.188 -2.350 9.710 32 HZ1 LYS 4 HZ1 LYS 4 -14.848 -4.271 10.378 33 HZ2 LYS 4 HZ2 LYS 4 -14.758 -4.779 8.760 34 HZ3 LYS 4 HZ3 LYS 4 -16.256 -4.738 9.554 35 H GLY 5 HN GLY 5 -12.913 -4.929 3.150 36 HA2 GLY 5 HA2 GLY 5 -12.045 -6.981 4.334 37 HA3 GLY 5 HA1 GLY 5 -13.702 -7.562 4.221 38 H VAL 6 HN VAL 6 -10.978 -6.455 2.249 39 HA VAL 6 HA VAL 6 -12.052 -7.654 -0.144 40 HB VAL 6 HB VAL 6 -9.341 -6.426 0.331 41 HG11 VAL 6 HG11 VAL 6 -10.765 -7.133 -2.229 42 HG12 VAL 6 HG12 VAL 6 -9.307 -7.895 -1.592 43 HG13 VAL 6 HG13 VAL 6 -9.264 -6.214 -2.129 44 HG21 VAL 6 HG21 VAL 6 -11.849 -5.235 -0.843 45 HG22 VAL 6 HG22 VAL 6 -10.275 -4.439 -0.777 46 HG23 VAL 6 HG23 VAL 6 -11.134 -4.826 0.715 47 H GLY 7 HN GLY 7 -8.810 -8.037 1.285 48 HA2 GLY 7 HA2 GLY 7 -7.766 -10.048 1.926 49 HA3 GLY 7 HA1 GLY 7 -9.134 -10.937 1.268 50 H VAL 8 HN VAL 8 -5.950 -10.234 0.817 51 HA VAL 8 HA VAL 8 -6.134 -10.520 -2.103 52 HB VAL 8 HB VAL 8 -4.062 -9.410 -2.352 53 HG11 VAL 8 HG11 VAL 8 -4.385 -7.261 -1.331 54 HG12 VAL 8 HG12 VAL 8 -5.479 -7.959 -0.141 55 HG13 VAL 8 HG13 VAL 8 -5.935 -7.926 -1.843 56 HG21 VAL 8 HG21 VAL 8 -2.716 -8.695 -0.319 57 HG22 VAL 8 HG22 VAL 8 -2.657 -10.398 -0.755 58 HG23 VAL 8 HG23 VAL 8 -3.673 -9.865 0.591 59 H SER 9 HN SER 9 -4.566 -11.909 -3.137 60 HA SER 9 HA SER 9 -3.943 -14.298 -1.703 61 HB2 SER 9 HB2 SER 9 -2.856 -13.438 -4.394 62 HB3 SER 9 HB1 SER 9 -3.044 -15.084 -3.786 63 HG SER 9 HG SER 9 -5.013 -15.075 -4.494 64 H ASN 10 HN ASN 10 -1.634 -15.174 -1.756 65 HA ASN 10 HA ASN 10 0.064 -13.350 -0.353 66 HB2 ASN 10 HB2 ASN 10 0.049 -15.788 0.107 67 HB3 ASN 10 HB1 ASN 10 0.706 -16.083 -1.498 68 HD21 ASN 10 HD21 ASN 10 1.383 -14.991 1.719 69 HD22 ASN 10 HD22 ASN 10 3.106 -14.924 1.556 70 H GLU 11 HN GLU 11 -0.240 -14.510 -3.600 71 HA GLU 11 HA GLU 11 2.161 -13.460 -4.658 72 HB2 GLU 11 HB2 GLU 11 0.836 -15.112 -5.859 73 HB3 GLU 11 HB1 GLU 11 -0.502 -13.979 -5.998 74 HG2 GLU 11 HG2 GLU 11 1.081 -12.486 -7.283 75 HG3 GLU 11 HG1 GLU 11 2.200 -13.850 -7.303 76 H LYS 12 HN LYS 12 -1.025 -12.127 -4.070 77 HA LYS 12 HA LYS 12 -0.683 -9.691 -5.458 78 HB2 LYS 12 HB2 LYS 12 -2.501 -10.561 -3.242 79 HB3 LYS 12 HB1 LYS 12 -2.440 -8.870 -3.725 80 HG2 LYS 12 HG2 LYS 12 -2.832 -9.775 -6.117 81 HG3 LYS 12 HG1 LYS 12 -3.343 -11.254 -5.298 82 HD2 LYS 12 HD2 LYS 12 -5.092 -10.117 -4.160 83 HD3 LYS 12 HD1 LYS 12 -4.474 -8.539 -4.654 84 HE2 LYS 12 HE2 LYS 12 -6.356 -9.041 -6.024 85 HE3 LYS 12 HE1 LYS 12 -4.906 -9.191 -7.013 86 HZ1 LYS 12 HZ1 LYS 12 -6.513 -11.005 -7.369 87 HZ2 LYS 12 HZ2 LYS 12 -6.322 -11.483 -5.753 88 HZ3 LYS 12 HZ3 LYS 12 -5.013 -11.563 -6.824 89 H LEU 13 HN LEU 13 0.315 -10.804 -2.316 90 HA LEU 13 HA LEU 13 1.111 -8.308 -1.235 91 HB2 LEU 13 HB2 LEU 13 0.821 -10.531 -0.032 92 HB3 LEU 13 HB1 LEU 13 2.396 -10.980 -0.645 93 HG LEU 13 HG LEU 13 3.399 -9.107 0.565 94 HD11 LEU 13 HD11 LEU 13 1.604 -7.524 0.570 95 HD12 LEU 13 HD12 LEU 13 2.028 -7.906 2.241 96 HD13 LEU 13 HD13 LEU 13 0.588 -8.617 1.511 97 HD21 LEU 13 HD21 LEU 13 3.270 -11.266 1.668 98 HD22 LEU 13 HD22 LEU 13 1.661 -10.873 2.272 99 HD23 LEU 13 HD23 LEU 13 3.060 -9.964 2.843 100 H ASP 14 HN ASP 14 2.561 -10.416 -3.595 101 HA ASP 14 HA ASP 14 5.168 -9.168 -3.424 102 HB2 ASP 14 HB2 ASP 14 4.376 -11.583 -4.365 103 HB3 ASP 14 HB1 ASP 14 4.461 -10.700 -5.867 104 H ALA 15 HN ALA 15 2.215 -8.839 -5.184 105 HA ALA 15 HA ALA 15 3.321 -7.324 -7.360 106 HB1 ALA 15 HB1 ALA 15 0.423 -7.657 -6.574 107 HB2 ALA 15 HB2 ALA 15 1.312 -8.751 -7.632 108 HB3 ALA 15 HB3 ALA 15 1.032 -7.077 -8.125 109 H VAL 16 HN VAL 16 1.846 -6.646 -4.279 110 HA VAL 16 HA VAL 16 1.455 -3.873 -4.777 111 HB VAL 16 HB VAL 16 0.138 -4.853 -3.034 112 HG11 VAL 16 HG11 VAL 16 2.729 -5.544 -1.653 113 HG12 VAL 16 HG12 VAL 16 1.630 -6.688 -2.422 114 HG13 VAL 16 HG13 VAL 16 1.114 -5.791 -0.992 115 HG21 VAL 16 HG21 VAL 16 2.240 -3.044 -1.836 116 HG22 VAL 16 HG22 VAL 16 0.650 -3.369 -1.137 117 HG23 VAL 16 HG23 VAL 16 0.780 -2.525 -2.684 118 H MET 17 HN MET 17 4.001 -5.754 -3.197 119 HA MET 17 HA MET 17 5.431 -3.570 -2.175 120 HB2 MET 17 HB2 MET 17 6.428 -6.339 -2.912 121 HB3 MET 17 HB1 MET 17 7.340 -5.153 -2.003 122 HG2 MET 17 HG2 MET 17 5.663 -5.171 -0.248 123 HG3 MET 17 HG1 MET 17 4.732 -6.352 -1.160 124 HE1 MET 17 HE1 MET 17 8.956 -7.313 0.449 125 HE2 MET 17 HE2 MET 17 8.217 -5.721 0.634 126 HE3 MET 17 HE3 MET 17 8.644 -6.315 -0.970 127 H ARG 18 HN ARG 18 5.561 -5.158 -5.344 128 HA ARG 18 HA ARG 18 7.901 -3.835 -6.202 129 HB2 ARG 18 HB2 ARG 18 7.224 -4.431 -8.487 130 HB3 ARG 18 HB1 ARG 18 7.118 -5.799 -7.386 131 HG2 ARG 18 HG2 ARG 18 4.810 -5.761 -7.375 132 HG3 ARG 18 HG1 ARG 18 4.728 -4.113 -8.008 133 HD2 ARG 18 HD2 ARG 18 5.773 -6.509 -9.506 134 HD3 ARG 18 HD1 ARG 18 4.160 -5.823 -9.702 135 HE ARG 18 HE ARG 18 5.797 -3.706 -10.151 136 HH11 ARG 18 HH11 ARG 18 5.777 -6.966 -11.436 137 HH12 ARG 18 HH12 ARG 18 6.306 -6.473 -13.015 138 HH21 ARG 18 HH21 ARG 18 6.541 -3.066 -12.189 139 HH22 ARG 18 HH22 ARG 18 6.775 -4.257 -13.437 140 H VAL 19 HN VAL 19 4.490 -2.912 -6.218 141 HA VAL 19 HA VAL 19 4.882 -0.661 -7.956 142 HB VAL 19 HB VAL 19 2.612 -1.404 -6.090 143 HG11 VAL 19 HG11 VAL 19 2.764 0.897 -8.033 144 HG12 VAL 19 HG12 VAL 19 2.705 1.015 -6.276 145 HG13 VAL 19 HG13 VAL 19 1.320 0.382 -7.162 146 HG21 VAL 19 HG21 VAL 19 2.873 -2.840 -8.051 147 HG22 VAL 19 HG22 VAL 19 2.806 -1.423 -9.101 148 HG23 VAL 19 HG23 VAL 19 1.399 -1.880 -8.144 149 H VAL 20 HN VAL 20 4.645 -1.230 -4.509 150 HA VAL 20 HA VAL 20 4.889 1.395 -3.583 151 HB VAL 20 HB VAL 20 5.598 -1.294 -2.410 152 HG11 VAL 20 HG11 VAL 20 7.363 0.259 -1.646 153 HG12 VAL 20 HG12 VAL 20 6.297 -0.238 -0.331 154 HG13 VAL 20 HG13 VAL 20 6.117 1.361 -1.057 155 HG21 VAL 20 HG21 VAL 20 3.921 -0.564 -0.725 156 HG22 VAL 20 HG22 VAL 20 3.272 -0.651 -2.360 157 HG23 VAL 20 HG23 VAL 20 3.679 0.914 -1.657 158 H SER 21 HN SER 21 7.382 -0.997 -4.410 159 HA SER 21 HA SER 21 9.545 0.634 -3.616 160 HB2 SER 21 HB2 SER 21 9.299 -1.827 -5.233 161 HB3 SER 21 HB1 SER 21 10.849 -1.031 -5.074 162 HG SER 21 HG SER 21 10.820 -1.414 -2.919 163 H GLU 22 HN GLU 22 8.062 0.018 -6.750 164 HA GLU 22 HA GLU 22 9.867 1.525 -8.284 165 HB2 GLU 22 HB2 GLU 22 6.971 0.828 -8.822 166 HB3 GLU 22 HB1 GLU 22 8.042 1.566 -10.005 167 HG2 GLU 22 HG2 GLU 22 9.527 -0.372 -9.872 168 HG3 GLU 22 HG1 GLU 22 8.448 -1.120 -8.700 169 H GLU 23 HN GLU 23 7.129 2.531 -6.336 170 HA GLU 23 HA GLU 23 7.289 5.242 -7.387 171 HB2 GLU 23 HB2 GLU 23 5.478 3.901 -5.401 172 HB3 GLU 23 HB1 GLU 23 5.512 5.647 -5.552 173 HG2 GLU 23 HG2 GLU 23 4.880 3.694 -7.750 174 HG3 GLU 23 HG1 GLU 23 3.706 4.663 -6.862 175 H SER 24 HN SER 24 8.134 3.491 -4.441 176 HA SER 24 HA SER 24 8.722 5.825 -2.907 177 HB2 SER 24 HB2 SER 24 9.724 4.211 -1.308 178 HB3 SER 24 HB1 SER 24 8.094 3.768 -1.798 179 HG SER 24 HG SER 24 8.831 2.079 -2.835 180 H GLY 25 HN GLY 25 10.689 3.490 -4.701 181 HA2 GLY 25 HA2 GLY 25 12.771 4.173 -5.752 182 HA3 GLY 25 HA1 GLY 25 12.971 5.359 -4.467 183 H ILE 26 HN ILE 26 11.821 2.763 -2.933 184 HA ILE 26 HA ILE 26 14.484 1.898 -2.080 185 HB ILE 26 HB ILE 26 11.914 0.904 -0.880 186 HG12 ILE 26 HG12 ILE 26 13.241 3.444 0.078 187 HG13 ILE 26 HG11 ILE 26 11.934 3.484 -1.097 188 HG21 ILE 26 HG21 ILE 26 14.647 1.474 0.270 189 HG22 ILE 26 HG22 ILE 26 14.005 -0.111 -0.161 190 HG23 ILE 26 HG23 ILE 26 13.278 0.805 1.159 191 HD11 ILE 26 HD11 ILE 26 10.437 2.432 0.487 192 HD12 ILE 26 HD12 ILE 26 11.168 3.870 1.210 193 HD13 ILE 26 HD13 ILE 26 11.755 2.267 1.650 194 H ALA 27 HN ALA 27 15.313 0.151 -3.047 195 HA ALA 27 HA ALA 27 14.137 -1.542 -4.834 196 HB1 ALA 27 HB1 ALA 27 16.550 -1.448 -4.388 197 HB2 ALA 27 HB2 ALA 27 15.944 -3.105 -4.405 198 HB3 ALA 27 HB3 ALA 27 16.289 -2.310 -2.870 199 H LEU 28 HN LEU 28 13.064 -3.449 -4.833 200 HA LEU 28 HA LEU 28 11.178 -4.033 -2.892 201 HB2 LEU 28 HB2 LEU 28 10.939 -4.852 -5.125 202 HB3 LEU 28 HB1 LEU 28 12.450 -5.731 -5.039 203 HG LEU 28 HG LEU 28 11.319 -7.156 -3.231 204 HD11 LEU 28 HD11 LEU 28 8.889 -7.294 -3.371 205 HD12 LEU 28 HD12 LEU 28 8.871 -5.928 -4.481 206 HD13 LEU 28 HD13 LEU 28 9.405 -5.701 -2.816 207 HD21 LEU 28 HD21 LEU 28 10.321 -8.602 -4.914 208 HD22 LEU 28 HD22 LEU 28 11.847 -7.928 -5.487 209 HD23 LEU 28 HD23 LEU 28 10.319 -7.270 -6.071 210 H GLU 29 HN GLU 29 14.441 -5.286 -3.267 211 HA GLU 29 HA GLU 29 14.118 -7.425 -1.395 212 HB2 GLU 29 HB2 GLU 29 16.702 -6.220 -2.367 213 HB3 GLU 29 HB1 GLU 29 16.427 -7.847 -1.755 214 HG2 GLU 29 HG2 GLU 29 15.041 -6.843 -4.214 215 HG3 GLU 29 HG1 GLU 29 16.649 -7.568 -4.284 216 H GLU 30 HN GLU 30 14.428 -4.139 -1.005 217 HA GLU 30 HA GLU 30 15.760 -4.391 1.609 218 HB2 GLU 30 HB2 GLU 30 15.343 -1.831 0.079 219 HB3 GLU 30 HB1 GLU 30 16.417 -2.120 1.446 220 HG2 GLU 30 HG2 GLU 30 16.771 -2.966 -1.410 221 HG3 GLU 30 HG1 GLU 30 17.773 -1.888 -0.455 222 H LEU 31 HN LEU 31 12.809 -4.105 0.158 223 HA LEU 31 HA LEU 31 11.640 -2.123 1.862 224 HB2 LEU 31 HB2 LEU 31 10.805 -2.705 -0.434 225 HB3 LEU 31 HB1 LEU 31 10.234 -4.236 0.216 226 HG LEU 31 HG LEU 31 8.841 -2.902 1.843 227 HD11 LEU 31 HD11 LEU 31 9.994 -0.800 1.738 228 HD12 LEU 31 HD12 LEU 31 8.334 -0.583 1.179 229 HD13 LEU 31 HD13 LEU 31 9.658 -0.658 0.014 230 HD21 LEU 31 HD21 LEU 31 8.280 -2.574 -1.090 231 HD22 LEU 31 HD22 LEU 31 7.099 -2.435 0.211 232 HD23 LEU 31 HD23 LEU 31 7.881 -3.982 -0.107 233 H THR 32 HN THR 32 11.791 -2.614 3.960 234 HA THR 32 HA THR 32 10.767 -5.215 4.869 235 HB THR 32 HB THR 32 12.111 -4.859 6.913 236 HG1 THR 32 HG1 THR 32 13.376 -2.647 5.700 237 HG21 THR 32 HG21 THR 32 13.727 -4.512 4.360 238 HG22 THR 32 HG22 THR 32 13.240 -6.047 5.094 239 HG23 THR 32 HG23 THR 32 14.389 -4.996 5.920 240 H ASP 33 HN ASP 33 9.534 -5.170 6.926 241 HA ASP 33 HA ASP 33 7.580 -3.067 6.832 242 HB2 ASP 33 HB2 ASP 33 6.552 -4.331 8.756 243 HB3 ASP 33 HB1 ASP 33 6.703 -5.216 7.244 244 H ASP 34 HN ASP 34 10.525 -3.315 8.302 245 HA ASP 34 HA ASP 34 10.063 -1.833 10.700 246 HB2 ASP 34 HB2 ASP 34 12.557 -2.178 9.017 247 HB3 ASP 34 HB1 ASP 34 12.521 -1.416 10.606 248 H SER 35 HN SER 35 10.188 -1.038 7.392 249 HA SER 35 HA SER 35 11.275 1.622 7.687 250 HB2 SER 35 HB2 SER 35 11.587 0.192 5.643 251 HB3 SER 35 HB1 SER 35 9.876 0.421 5.288 252 HG SER 35 HG SER 35 11.957 2.065 4.824 253 H ASN 36 HN ASN 36 10.193 3.526 7.017 254 HA ASN 36 HA ASN 36 7.315 3.534 7.675 255 HB2 ASN 36 HB2 ASN 36 8.826 4.359 9.548 256 HB3 ASN 36 HB1 ASN 36 9.329 5.651 8.476 257 HD21 ASN 36 HD21 ASN 36 6.790 4.536 10.589 258 HD22 ASN 36 HD22 ASN 36 5.803 5.939 10.428 259 H PHE 37 HN PHE 37 6.156 4.426 6.061 260 HA PHE 37 HA PHE 37 7.280 5.227 3.641 261 HB2 PHE 37 HB2 PHE 37 4.545 5.533 4.838 262 HB3 PHE 37 HB1 PHE 37 4.917 6.306 3.298 263 HD1 PHE 37 HD1 PHE 37 6.423 4.548 1.777 264 HD2 PHE 37 HD2 PHE 37 3.371 3.559 4.573 265 HE1 PHE 37 HE1 PHE 37 6.029 2.438 0.593 266 HE2 PHE 37 HE2 PHE 37 2.972 1.433 3.393 267 HZ PHE 37 HZ PHE 37 4.300 0.875 1.395 268 H ALA 38 HN ALA 38 5.989 7.238 6.269 269 HA ALA 38 HA ALA 38 6.479 9.698 4.923 270 HB1 ALA 38 HB1 ALA 38 6.019 9.145 7.848 271 HB2 ALA 38 HB2 ALA 38 4.781 9.498 6.640 272 HB3 ALA 38 HB3 ALA 38 5.967 10.730 7.077 273 H ASP 39 HN ASP 39 8.355 7.666 7.080 274 HA ASP 39 HA ASP 39 10.388 9.562 7.687 275 HB2 ASP 39 HB2 ASP 39 10.131 7.544 9.048 276 HB3 ASP 39 HB1 ASP 39 10.488 6.530 7.653 277 H MET 40 HN MET 40 9.814 7.371 5.060 278 HA MET 40 HA MET 40 12.490 7.634 4.022 279 HB2 MET 40 HB2 MET 40 10.040 6.197 3.062 280 HB3 MET 40 HB1 MET 40 11.471 6.354 2.044 281 HG2 MET 40 HG2 MET 40 11.533 5.252 4.825 282 HG3 MET 40 HG1 MET 40 11.343 4.246 3.385 283 HE1 MET 40 HE1 MET 40 15.060 3.586 4.565 284 HE2 MET 40 HE2 MET 40 13.511 2.835 4.185 285 HE3 MET 40 HE3 MET 40 13.661 3.878 5.599 286 H GLY 41 HN GLY 41 9.560 9.333 3.744 287 HA2 GLY 41 HA2 GLY 41 9.621 11.574 2.831 288 HA3 GLY 41 HA1 GLY 41 10.799 11.014 1.653 289 H ILE 42 HN ILE 42 8.075 8.994 2.266 290 HA ILE 42 HA ILE 42 7.191 9.084 -0.420 291 HB ILE 42 HB ILE 42 5.890 8.003 2.085 292 HG12 ILE 42 HG12 ILE 42 7.965 6.937 1.249 293 HG13 ILE 42 HG11 ILE 42 6.573 5.857 1.234 294 HG21 ILE 42 HG21 ILE 42 4.912 7.831 -0.750 295 HG22 ILE 42 HG22 ILE 42 4.072 8.525 0.641 296 HG23 ILE 42 HG23 ILE 42 4.353 6.786 0.554 297 HD11 ILE 42 HD11 ILE 42 7.762 7.294 -1.131 298 HD12 ILE 42 HD12 ILE 42 6.318 6.283 -1.178 299 HD13 ILE 42 HD13 ILE 42 7.879 5.569 -0.773 300 H ASP 43 HN ASP 43 6.341 10.794 -1.329 301 HA ASP 43 HA ASP 43 5.122 12.938 0.159 302 HB2 ASP 43 HB2 ASP 43 6.589 13.242 -1.855 303 HB3 ASP 43 HB1 ASP 43 5.307 12.554 -2.841 304 H SER 44 HN SER 44 3.030 13.854 -0.387 305 HA SER 44 HA SER 44 0.876 12.119 -0.185 306 HB2 SER 44 HB2 SER 44 0.723 14.449 0.439 307 HB3 SER 44 HB1 SER 44 0.983 14.954 -1.232 308 H LEU 45 HN LEU 45 2.342 13.648 -3.003 309 HA LEU 45 HA LEU 45 0.451 12.841 -4.920 310 HB2 LEU 45 HB2 LEU 45 2.308 14.569 -5.164 311 HB3 LEU 45 HB1 LEU 45 3.422 13.234 -5.364 312 HG LEU 45 HG LEU 45 2.640 14.419 -7.465 313 HD11 LEU 45 HD11 LEU 45 2.234 11.438 -7.286 314 HD12 LEU 45 HD12 LEU 45 3.769 12.270 -7.533 315 HD13 LEU 45 HD13 LEU 45 2.512 12.358 -8.766 316 HD21 LEU 45 HD21 LEU 45 0.290 14.626 -6.890 317 HD22 LEU 45 HD22 LEU 45 0.118 12.870 -6.874 318 HD23 LEU 45 HD23 LEU 45 0.486 13.708 -8.381 319 H SER 46 HN SER 46 3.581 11.358 -4.023 320 HA SER 46 HA SER 46 3.391 9.100 -5.634 321 HB2 SER 46 HB2 SER 46 4.690 9.261 -2.903 322 HB3 SER 46 HB1 SER 46 5.089 8.133 -4.198 323 HG SER 46 HG SER 46 6.095 9.683 -5.287 324 H SER 47 HN SER 47 2.289 9.619 -2.316 325 HA SER 47 HA SER 47 1.429 7.030 -1.754 326 HB2 SER 47 HB2 SER 47 0.274 9.647 -0.773 327 HB3 SER 47 HB1 SER 47 0.027 8.068 -0.027 328 HG SER 47 HG SER 47 2.354 9.645 -0.142 329 H MET 48 HN MET 48 -0.176 9.672 -3.424 330 HA MET 48 HA MET 48 -2.736 8.375 -3.549 331 HB2 MET 48 HB2 MET 48 -2.274 10.878 -3.713 332 HB3 MET 48 HB1 MET 48 -1.753 10.573 -5.359 333 HG2 MET 48 HG2 MET 48 -4.072 11.345 -5.276 334 HG3 MET 48 HG1 MET 48 -3.946 9.709 -5.929 335 HE1 MET 48 HE1 MET 48 -6.718 10.948 -4.928 336 HE2 MET 48 HE2 MET 48 -7.369 9.562 -4.054 337 HE3 MET 48 HE3 MET 48 -6.529 9.322 -5.585 338 H VAL 49 HN VAL 49 0.105 8.610 -5.565 339 HA VAL 49 HA VAL 49 -1.060 7.506 -7.901 340 HB VAL 49 HB VAL 49 1.816 7.803 -6.978 341 HG11 VAL 49 HG11 VAL 49 2.504 7.159 -9.239 342 HG12 VAL 49 HG12 VAL 49 0.831 6.766 -9.640 343 HG13 VAL 49 HG13 VAL 49 1.686 5.837 -8.408 344 HG21 VAL 49 HG21 VAL 49 0.246 9.196 -9.161 345 HG22 VAL 49 HG22 VAL 49 1.928 9.504 -8.735 346 HG23 VAL 49 HG23 VAL 49 0.647 9.879 -7.583 347 H ILE 50 HN ILE 50 0.984 6.135 -5.305 348 HA ILE 50 HA ILE 50 1.031 3.494 -6.084 349 HB ILE 50 HB ILE 50 0.705 4.518 -3.261 350 HG12 ILE 50 HG12 ILE 50 3.221 3.886 -4.812 351 HG13 ILE 50 HG11 ILE 50 2.613 5.511 -4.521 352 HG21 ILE 50 HG21 ILE 50 0.277 2.125 -3.456 353 HG22 ILE 50 HG22 ILE 50 1.793 2.424 -2.606 354 HG23 ILE 50 HG23 ILE 50 1.815 1.909 -4.293 355 HD11 ILE 50 HD11 ILE 50 3.415 3.577 -2.362 356 HD12 ILE 50 HD12 ILE 50 2.949 5.266 -2.157 357 HD13 ILE 50 HD13 ILE 50 4.440 4.861 -3.005 358 H GLY 51 HN GLY 51 -1.370 5.050 -3.958 359 HA2 GLY 51 HA2 GLY 51 -3.089 2.847 -3.706 360 HA3 GLY 51 HA1 GLY 51 -3.551 4.527 -3.473 361 H SER 52 HN SER 52 -2.898 5.337 -6.179 362 HA SER 52 HA SER 52 -5.345 4.585 -7.451 363 HB2 SER 52 HB2 SER 52 -3.769 6.769 -7.719 364 HB3 SER 52 HB1 SER 52 -3.267 5.847 -9.141 365 HG SER 52 HG SER 52 -5.219 6.028 -10.009 366 H ARG 53 HN ARG 53 -1.916 3.838 -8.080 367 HA ARG 53 HA ARG 53 -2.389 2.288 -10.385 368 HB2 ARG 53 HB2 ARG 53 -0.128 1.932 -8.410 369 HB3 ARG 53 HB1 ARG 53 -0.163 1.345 -10.064 370 HG2 ARG 53 HG2 ARG 53 -0.447 3.879 -10.638 371 HG3 ARG 53 HG1 ARG 53 0.239 4.103 -9.032 372 HD2 ARG 53 HD2 ARG 53 2.232 3.934 -10.062 373 HD3 ARG 53 HD1 ARG 53 1.882 2.206 -10.038 374 HE ARG 53 HE ARG 53 0.771 2.867 -12.356 375 HH11 ARG 53 HH11 ARG 53 3.862 3.843 -11.000 376 HH12 ARG 53 HH12 ARG 53 4.662 3.887 -12.538 377 HH21 ARG 53 HH21 ARG 53 1.811 2.979 -14.382 378 HH22 ARG 53 HH22 ARG 53 3.492 3.434 -14.460 379 H PHE 54 HN PHE 54 -2.462 1.550 -6.967 380 HA PHE 54 HA PHE 54 -2.704 -1.213 -6.967 381 HB2 PHE 54 HB2 PHE 54 -4.135 0.931 -5.391 382 HB3 PHE 54 HB1 PHE 54 -4.513 -0.768 -5.166 383 HD1 PHE 54 HD1 PHE 54 -1.179 -0.849 -5.924 384 HD2 PHE 54 HD2 PHE 54 -3.815 0.435 -2.850 385 HE1 PHE 54 HE1 PHE 54 0.642 -1.041 -4.280 386 HE2 PHE 54 HE2 PHE 54 -2.015 0.224 -1.200 387 HZ PHE 54 HZ PHE 54 0.227 -0.515 -1.913 388 H ARG 55 HN ARG 55 -5.135 1.247 -7.719 389 HA ARG 55 HA ARG 55 -7.199 -0.767 -7.973 390 HB2 ARG 55 HB2 ARG 55 -7.545 2.154 -8.619 391 HB3 ARG 55 HB1 ARG 55 -8.735 1.005 -8.034 392 HG2 ARG 55 HG2 ARG 55 -7.738 0.994 -5.846 393 HG3 ARG 55 HG1 ARG 55 -6.402 1.993 -6.414 394 HD2 ARG 55 HD2 ARG 55 -9.299 2.817 -6.320 395 HD3 ARG 55 HD1 ARG 55 -8.047 3.316 -5.182 396 HE ARG 55 HE ARG 55 -6.983 4.512 -6.999 397 HH11 ARG 55 HH11 ARG 55 -10.255 3.415 -7.518 398 HH12 ARG 55 HH12 ARG 55 -10.578 4.543 -8.805 399 HH21 ARG 55 HH21 ARG 55 -7.368 6.001 -8.712 400 HH22 ARG 55 HH22 ARG 55 -8.920 6.012 -9.493 401 H GLU 56 HN GLU 56 -5.312 1.358 -10.072 402 HA GLU 56 HA GLU 56 -7.005 0.729 -12.340 403 HB2 GLU 56 HB2 GLU 56 -4.616 2.572 -12.135 404 HB3 GLU 56 HB1 GLU 56 -5.710 2.453 -13.512 405 HG2 GLU 56 HG2 GLU 56 -7.568 3.171 -12.082 406 HG3 GLU 56 HG1 GLU 56 -6.459 3.312 -10.723 407 H ASP 57 HN ASP 57 -3.581 0.386 -11.448 408 HA ASP 57 HA ASP 57 -2.985 -1.102 -13.840 409 HB2 ASP 57 HB2 ASP 57 -1.359 -0.465 -11.381 410 HB3 ASP 57 HB1 ASP 57 -0.749 -1.479 -12.680 411 H LEU 58 HN LEU 58 -3.113 -1.878 -10.374 412 HA LEU 58 HA LEU 58 -2.671 -4.692 -10.897 413 HB2 LEU 58 HB2 LEU 58 -2.494 -2.893 -8.648 414 HB3 LEU 58 HB1 LEU 58 -3.482 -4.263 -8.175 415 HG LEU 58 HG LEU 58 -1.570 -5.754 -8.923 416 HD11 LEU 58 HD11 LEU 58 0.668 -4.679 -8.987 417 HD12 LEU 58 HD12 LEU 58 -0.135 -3.110 -9.070 418 HD13 LEU 58 HD13 LEU 58 -0.345 -4.279 -10.372 419 HD21 LEU 58 HD21 LEU 58 -0.249 -5.324 -6.900 420 HD22 LEU 58 HD22 LEU 58 -1.984 -5.275 -6.584 421 HD23 LEU 58 HD23 LEU 58 -1.065 -3.771 -6.710 422 H GLY 59 HN GLY 59 -5.304 -2.875 -9.281 423 HA2 GLY 59 HA2 GLY 59 -7.597 -3.405 -10.190 424 HA3 GLY 59 HA1 GLY 59 -7.121 -5.089 -10.020 425 H LEU 60 HN LEU 60 -6.111 -2.792 -7.630 426 HA LEU 60 HA LEU 60 -7.862 -4.092 -5.665 427 HB2 LEU 60 HB2 LEU 60 -5.519 -2.297 -5.101 428 HB3 LEU 60 HB1 LEU 60 -6.302 -3.415 -4.011 429 HG LEU 60 HG LEU 60 -4.724 -4.283 -6.420 430 HD11 LEU 60 HD11 LEU 60 -2.928 -4.779 -4.816 431 HD12 LEU 60 HD12 LEU 60 -3.869 -4.004 -3.538 432 HD13 LEU 60 HD13 LEU 60 -3.288 -3.054 -4.904 433 HD21 LEU 60 HD21 LEU 60 -5.715 -5.764 -3.981 434 HD22 LEU 60 HD22 LEU 60 -4.733 -6.445 -5.278 435 HD23 LEU 60 HD23 LEU 60 -6.371 -5.891 -5.614 436 H ASP 61 HN ASP 61 -9.760 -2.806 -5.857 437 HA ASP 61 HA ASP 61 -9.357 0.085 -5.549 438 HB2 ASP 61 HB2 ASP 61 -10.738 -0.727 -7.496 439 HB3 ASP 61 HB1 ASP 61 -11.939 -1.282 -6.325 440 H LEU 62 HN LEU 62 -8.835 -0.222 -3.349 441 HA LEU 62 HA LEU 62 -10.734 -1.145 -1.446 442 HB2 LEU 62 HB2 LEU 62 -8.453 0.791 -1.076 443 HB3 LEU 62 HB1 LEU 62 -9.260 -0.108 0.195 444 HG LEU 62 HG LEU 62 -7.555 -1.291 -2.002 445 HD11 LEU 62 HD11 LEU 62 -5.984 -1.760 -0.221 446 HD12 LEU 62 HD12 LEU 62 -7.060 -1.004 0.953 447 HD13 LEU 62 HD13 LEU 62 -6.313 -0.027 -0.308 448 HD21 LEU 62 HD21 LEU 62 -8.901 -2.597 0.363 449 HD22 LEU 62 HD22 LEU 62 -7.778 -3.381 -0.748 450 HD23 LEU 62 HD23 LEU 62 -9.342 -2.813 -1.334 451 H GLY 63 HN GLY 63 -10.002 1.873 -2.978 452 HA2 GLY 63 HA2 GLY 63 -12.499 2.974 -2.778 453 HA3 GLY 63 HA1 GLY 63 -11.612 3.574 -1.382 454 HA PRO 64 HA PRO 64 -10.473 5.820 -5.382 455 HB2 PRO 64 HB2 PRO 64 -12.206 7.865 -5.494 456 HB3 PRO 64 HB1 PRO 64 -12.630 6.250 -6.093 457 HG2 PRO 64 HG2 PRO 64 -13.368 7.577 -3.523 458 HG3 PRO 64 HG1 PRO 64 -14.357 6.551 -4.571 459 HD2 PRO 64 HD2 PRO 64 -13.063 5.712 -2.257 460 HD3 PRO 64 HD1 PRO 64 -13.608 4.646 -3.563 461 H GLU 65 HN GLU 65 -10.875 6.688 -2.125 462 HA GLU 65 HA GLU 65 -9.173 9.056 -2.474 463 HB2 GLU 65 HB2 GLU 65 -11.640 9.560 -2.157 464 HB3 GLU 65 HB1 GLU 65 -11.492 8.876 -0.542 465 HG2 GLU 65 HG2 GLU 65 -10.076 10.627 0.170 466 HG3 GLU 65 HG1 GLU 65 -9.831 11.201 -1.481 467 H PHE 66 HN PHE 66 -8.537 6.330 -1.721 468 HA PHE 66 HA PHE 66 -7.759 6.564 1.090 469 HB2 PHE 66 HB2 PHE 66 -8.740 4.428 0.229 470 HB3 PHE 66 HB1 PHE 66 -7.353 4.262 -0.839 471 HD1 PHE 66 HD2 PHE 66 -8.463 4.198 2.674 472 HD2 PHE 66 HD1 PHE 66 -5.264 3.491 -0.042 473 HE1 PHE 66 HE2 PHE 66 -7.235 2.999 4.433 474 HE2 PHE 66 HE1 PHE 66 -4.037 2.284 1.708 475 HZ PHE 66 HZ PHE 66 -5.015 2.039 3.955 476 H SER 67 HN SER 67 -5.802 7.389 1.600 477 HA SER 67 HA SER 67 -3.694 7.197 -0.442 478 HB2 SER 67 HB2 SER 67 -4.696 9.504 -0.313 479 HB3 SER 67 HB1 SER 67 -4.121 9.601 1.350 480 HG SER 67 HG SER 67 -2.781 10.149 -0.851 481 H LEU 68 HN LEU 68 -1.801 6.467 0.241 482 HA LEU 68 HA LEU 68 -1.481 5.283 2.749 483 HB2 LEU 68 HB2 LEU 68 0.697 6.223 0.886 484 HB3 LEU 68 HB1 LEU 68 0.881 5.056 2.175 485 HG LEU 68 HG LEU 68 -0.651 4.719 -0.392 486 HD11 LEU 68 HD11 LEU 68 0.956 2.762 -0.547 487 HD12 LEU 68 HD12 LEU 68 1.839 3.522 0.782 488 HD13 LEU 68 HD13 LEU 68 1.644 4.377 -0.752 489 HD21 LEU 68 HD21 LEU 68 -0.488 2.869 1.980 490 HD22 LEU 68 HD22 LEU 68 -1.179 2.463 0.408 491 HD23 LEU 68 HD23 LEU 68 -1.927 3.710 1.408 492 H PHE 69 HN PHE 69 -0.500 8.430 1.539 493 HA PHE 69 HA PHE 69 1.233 9.152 3.620 494 HB2 PHE 69 HB2 PHE 69 1.069 10.245 1.377 495 HB3 PHE 69 HB1 PHE 69 -0.445 10.985 1.883 496 HD1 PHE 69 HD1 PHE 69 2.779 10.559 3.702 497 HD2 PHE 69 HD2 PHE 69 -0.062 13.233 2.013 498 HE1 PHE 69 HE1 PHE 69 4.032 12.464 4.629 499 HE2 PHE 69 HE2 PHE 69 1.180 15.146 2.946 500 HZ PHE 69 HZ PHE 69 3.231 14.764 4.256 501 H ILE 70 HN ILE 70 -2.124 8.742 3.688 502 HA ILE 70 HA ILE 70 -2.398 10.669 5.904 503 HB ILE 70 HB ILE 70 -4.591 9.624 4.070 504 HG12 ILE 70 HG12 ILE 70 -3.519 12.410 4.571 505 HG13 ILE 70 HG11 ILE 70 -3.223 11.453 3.129 506 HG21 ILE 70 HG21 ILE 70 -5.409 9.734 6.361 507 HG22 ILE 70 HG22 ILE 70 -6.138 10.988 5.358 508 HG23 ILE 70 HG23 ILE 70 -4.850 11.403 6.489 509 HD11 ILE 70 HD11 ILE 70 -5.613 11.500 2.610 510 HD12 ILE 70 HD12 ILE 70 -4.920 13.117 2.708 511 HD13 ILE 70 HD13 ILE 70 -5.898 12.495 4.040 512 H ASP 71 HN ASP 71 -3.127 7.335 4.885 513 HA ASP 71 HA ASP 71 -3.662 6.747 7.718 514 HB2 ASP 71 HB2 ASP 71 -5.412 6.252 5.394 515 HB3 ASP 71 HB1 ASP 71 -5.313 4.989 6.616 516 H CYS 72 HN CYS 72 -1.401 6.210 5.798 517 HA CYS 72 HA CYS 72 -0.936 3.520 6.811 518 HB2 CYS 72 HB2 CYS 72 -0.565 4.284 3.906 519 HB3 CYS 72 HB1 CYS 72 0.099 2.824 4.635 520 HG CYS 72 HG CYS 72 -3.020 2.770 5.411 521 H THR 73 HN THR 73 0.664 4.004 8.181 522 HA THR 73 HA THR 73 2.506 6.155 7.480 523 HB THR 73 HB THR 73 3.206 5.902 9.893 524 HG1 THR 73 HG1 THR 73 1.262 4.711 10.998 525 HG21 THR 73 HG21 THR 73 0.283 6.433 9.319 526 HG22 THR 73 HG22 THR 73 1.592 7.607 9.209 527 HG23 THR 73 HG23 THR 73 1.140 6.933 10.776 528 H THR 74 HN THR 74 2.771 2.795 8.738 529 HA THR 74 HA THR 74 5.534 2.740 7.769 530 HB THR 74 HB THR 74 5.783 0.636 8.976 531 HG1 THR 74 HG1 THR 74 3.552 0.423 10.369 532 HG21 THR 74 HG21 THR 74 4.352 2.704 10.654 533 HG22 THR 74 HG22 THR 74 6.068 2.719 10.249 534 HG23 THR 74 HG23 THR 74 5.413 1.436 11.269 535 H VAL 75 HN VAL 75 6.023 0.262 6.948 536 HA VAL 75 HA VAL 75 4.567 0.141 4.454 537 HB VAL 75 HB VAL 75 6.390 -2.078 5.073 538 HG11 VAL 75 HG11 VAL 75 7.269 -1.508 2.853 539 HG12 VAL 75 HG12 VAL 75 6.200 -0.106 2.810 540 HG13 VAL 75 HG13 VAL 75 5.518 -1.734 2.852 541 HG21 VAL 75 HG21 VAL 75 7.589 -0.432 6.293 542 HG22 VAL 75 HG22 VAL 75 7.404 0.746 4.992 543 HG23 VAL 75 HG23 VAL 75 8.412 -0.683 4.753 544 H ARG 76 HN ARG 76 5.006 -1.853 7.330 545 HA ARG 76 HA ARG 76 3.495 -4.047 6.511 546 HB2 ARG 76 HB2 ARG 76 4.929 -4.129 8.487 547 HB3 ARG 76 HB1 ARG 76 3.875 -2.981 9.310 548 HG2 ARG 76 HG2 ARG 76 3.111 -4.970 10.166 549 HG3 ARG 76 HG1 ARG 76 2.036 -4.733 8.789 550 HD2 ARG 76 HD2 ARG 76 3.655 -6.186 7.463 551 HD3 ARG 76 HD1 ARG 76 4.362 -6.616 9.023 552 HE ARG 76 HE ARG 76 1.493 -7.020 8.504 553 HH11 ARG 76 HH11 ARG 76 4.621 -8.275 9.447 554 HH12 ARG 76 HH12 ARG 76 4.005 -9.849 9.848 555 HH21 ARG 76 HH21 ARG 76 0.665 -9.057 9.082 556 HH22 ARG 76 HH22 ARG 76 1.768 -10.306 9.619 557 H ALA 77 HN ALA 77 2.557 -0.913 7.720 558 HA ALA 77 HA ALA 77 -0.093 -1.427 8.439 559 HB1 ALA 77 HB1 ALA 77 1.056 0.705 8.866 560 HB2 ALA 77 HB2 ALA 77 -0.500 0.937 8.070 561 HB3 ALA 77 HB3 ALA 77 0.995 1.074 7.142 562 H LEU 78 HN LEU 78 1.397 -0.992 5.297 563 HA LEU 78 HA LEU 78 -1.110 -1.007 3.850 564 HB2 LEU 78 HB2 LEU 78 1.453 -0.221 3.290 565 HB3 LEU 78 HB1 LEU 78 1.362 -1.742 2.435 566 HG LEU 78 HG LEU 78 -0.535 0.562 2.042 567 HD11 LEU 78 HD11 LEU 78 1.837 -0.331 0.409 568 HD12 LEU 78 HD12 LEU 78 1.744 1.132 1.388 569 HD13 LEU 78 HD13 LEU 78 0.709 0.951 -0.033 570 HD21 LEU 78 HD21 LEU 78 -1.159 -0.603 -0.008 571 HD22 LEU 78 HD22 LEU 78 -1.531 -1.564 1.431 572 HD23 LEU 78 HD23 LEU 78 -0.118 -1.954 0.442 573 H LYS 79 HN LYS 79 1.603 -3.186 4.378 574 HA LYS 79 HA LYS 79 0.825 -5.355 2.861 575 HB2 LYS 79 HB2 LYS 79 2.193 -5.576 5.542 576 HB3 LYS 79 HB1 LYS 79 2.331 -6.680 4.176 577 HG2 LYS 79 HG2 LYS 79 3.230 -3.823 4.023 578 HG3 LYS 79 HG1 LYS 79 4.281 -5.105 4.618 579 HD2 LYS 79 HD2 LYS 79 3.811 -6.314 2.445 580 HD3 LYS 79 HD1 LYS 79 3.041 -4.827 1.888 581 HE2 LYS 79 HE2 LYS 79 5.287 -4.823 1.088 582 HE3 LYS 79 HE1 LYS 79 5.177 -3.626 2.387 583 HZ1 LYS 79 HZ1 LYS 79 7.183 -5.002 2.551 584 HZ2 LYS 79 HZ2 LYS 79 6.235 -6.397 2.683 585 HZ3 LYS 79 HZ3 LYS 79 6.178 -5.224 3.894 586 H ASP 80 HN ASP 80 0.269 -4.837 6.311 587 HA ASP 80 HA ASP 80 -1.146 -7.282 6.633 588 HB2 ASP 80 HB2 ASP 80 0.259 -5.907 8.328 589 HB3 ASP 80 HB1 ASP 80 -1.233 -5.012 8.595 590 H PHE 81 HN PHE 81 -2.041 -4.125 5.686 591 HA PHE 81 HA PHE 81 -4.750 -4.182 6.563 592 HB2 PHE 81 HB2 PHE 81 -3.547 -2.070 6.089 593 HB3 PHE 81 HB1 PHE 81 -3.465 -2.511 4.383 594 HD1 PHE 81 HD1 PHE 81 -5.925 -1.977 7.129 595 HD2 PHE 81 HD2 PHE 81 -5.123 -1.789 2.952 596 HE1 PHE 81 HE1 PHE 81 -8.114 -0.915 6.764 597 HE2 PHE 81 HE2 PHE 81 -7.310 -0.726 2.577 598 HZ PHE 81 HZ PHE 81 -8.808 -0.286 4.485 599 H MET 82 HN MET 82 -3.076 -4.856 3.538 600 HA MET 82 HA MET 82 -5.456 -5.317 2.061 601 HB2 MET 82 HB2 MET 82 -2.552 -5.933 1.498 602 HB3 MET 82 HB1 MET 82 -3.829 -6.225 0.306 603 HG2 MET 82 HG2 MET 82 -4.297 -3.604 1.137 604 HG3 MET 82 HG1 MET 82 -2.532 -3.717 1.126 605 HE1 MET 82 HE1 MET 82 -1.722 -4.642 -2.537 606 HE2 MET 82 HE2 MET 82 -1.830 -5.684 -1.119 607 HE3 MET 82 HE3 MET 82 -1.078 -4.096 -0.990 608 H LEU 83 HN LEU 83 -3.282 -7.505 3.821 609 HA LEU 83 HA LEU 83 -4.796 -9.801 3.020 610 HB2 LEU 83 HB2 LEU 83 -2.704 -9.364 5.151 611 HB3 LEU 83 HB1 LEU 83 -3.513 -10.905 4.951 612 HG LEU 83 HG LEU 83 -2.633 -10.912 2.567 613 HD11 LEU 83 HD11 LEU 83 -0.940 -8.666 3.619 614 HD12 LEU 83 HD12 LEU 83 -2.135 -8.570 2.327 615 HD13 LEU 83 HD13 LEU 83 -0.673 -9.529 2.103 616 HD21 LEU 83 HD21 LEU 83 -0.616 -10.935 4.816 617 HD22 LEU 83 HD22 LEU 83 -0.385 -11.665 3.226 618 HD23 LEU 83 HD23 LEU 83 -1.621 -12.297 4.316 619 H GLY 84 HN GLY 84 -4.657 -7.741 5.899 620 HA2 GLY 84 HA2 GLY 84 -7.005 -9.186 6.961 621 HA3 GLY 84 HA1 GLY 84 -5.852 -8.297 7.943 622 H SER 85 HN SER 85 -8.299 -7.875 5.417 623 HA SER 85 HA SER 85 -8.476 -5.039 5.994 624 HB2 SER 85 HB2 SER 85 -10.121 -6.693 4.066 625 HB3 SER 85 HB1 SER 85 -9.962 -4.938 4.095 626 HG SER 85 HG SER 85 -7.527 -5.727 3.924 627 H GLY 86 HN GLY 86 -9.207 -6.781 8.125 628 HA2 GLY 86 HA2 GLY 86 -12.133 -6.616 8.219 629 HA3 GLY 86 HA1 GLY 86 -11.115 -7.505 9.342 630 H ASP 87 HN ASP 87 -9.273 -5.257 9.676 631 HA ASP 87 HA ASP 87 -10.958 -3.621 11.450 632 HB2 ASP 87 HB2 ASP 87 -8.950 -5.060 12.317 633 HB3 ASP 87 HB1 ASP 87 -7.958 -3.772 11.645 634 H ALA 88 HN ALA 88 -9.121 -1.511 11.832 635 HA ALA 88 HA ALA 88 -8.845 -0.375 9.141 636 HB1 ALA 88 HB1 ALA 88 -10.347 0.982 11.375 637 HB2 ALA 88 HB2 ALA 88 -11.061 0.270 9.927 638 HB3 ALA 88 HB3 ALA 88 -9.995 1.669 9.790 639 H GLY 89 HN GLY 89 -8.060 -0.238 12.579 640 HA2 GLY 89 HA2 GLY 89 -5.446 0.401 12.425 641 HA3 GLY 89 HA1 GLY 89 -6.220 1.963 12.196 642 H282 PNS 90 H28A PNS 44 -1.506 15.084 -3.888 643 H281 PNS 90 H28B PNS 44 -1.937 13.471 -3.317 644 H303 PNS 90 H30A PNS 44 -3.108 16.424 -5.151 645 H302 PNS 90 H30B PNS 44 -4.245 16.272 -3.810 646 H301 PNS 90 H30C PNS 44 -4.744 15.838 -5.446 647 H313 PNS 90 H31A PNS 44 -2.590 12.807 -5.640 648 H312 PNS 90 H31B PNS 44 -2.116 14.413 -6.192 649 H311 PNS 90 H31C PNS 44 -3.730 13.800 -6.547 650 H32 PNS 90 H32A PNS 44 -4.285 12.512 -3.914 651 H33 PNS 90 H33A PNS 44 -4.247 14.477 -2.263 652 H36 PNS 90 H36A PNS 44 -6.997 13.827 -3.232 653 H372 PNS 90 H37A PNS 44 -8.416 14.864 -5.300 654 H371 PNS 90 H37B PNS 44 -8.350 13.145 -5.677 655 H382 PNS 90 H38A PNS 44 -9.363 12.641 -3.500 656 H381 PNS 90 H38B PNS 44 -9.448 14.367 -3.149 657 H41 PNS 90 H41A PNS 44 -11.725 13.221 -2.910 658 H422 PNS 90 H42A PNS 44 -13.577 14.500 -4.414 659 H421 PNS 90 H42B PNS 44 -13.292 13.016 -5.324 660 H431 PNS 90 H43A PNS 44 -14.180 13.210 -2.452 661 H432 PNS 90 H43B PNS 44 -13.835 11.710 -3.309 662 H44 PNS 90 H1 PNS 44 -16.600 11.962 -3.065 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 -18.435 -9.901 11.277 2 H2 ALA 1 HT2 ALA 1 -19.997 -10.486 10.975 3 H3 ALA 1 HT3 ALA 1 -19.787 -8.967 11.701 4 HA ALA 1 HA ALA 1 -19.004 -9.717 8.944 5 HB1 ALA 1 HB1 ALA 1 -20.778 -8.246 8.225 6 HB2 ALA 1 HB2 ALA 1 -21.166 -7.846 9.897 7 HB3 ALA 1 HB3 ALA 1 -21.434 -9.484 9.298 8 H MET 2 HN MET 2 -18.075 -8.060 7.713 9 HA MET 2 HA MET 2 -17.186 -5.689 9.211 10 HB2 MET 2 HB2 MET 2 -15.331 -7.337 9.068 11 HB3 MET 2 HB1 MET 2 -15.471 -7.320 7.315 12 HG2 MET 2 HG2 MET 2 -13.613 -5.956 8.072 13 HG3 MET 2 HG1 MET 2 -14.839 -4.975 7.269 14 HE1 MET 2 HE1 MET 2 -13.603 -2.848 8.301 15 HE2 MET 2 HE2 MET 2 -12.461 -3.857 9.189 16 HE3 MET 2 HE3 MET 2 -13.361 -2.593 10.029 17 H ALA 3 HN ALA 3 -17.593 -3.782 8.092 18 HA ALA 3 HA ALA 3 -19.025 -4.063 5.621 19 HB1 ALA 3 HB1 ALA 3 -19.783 -2.504 7.351 20 HB2 ALA 3 HB2 ALA 3 -19.473 -1.684 5.820 21 HB3 ALA 3 HB3 ALA 3 -18.302 -1.571 7.135 22 H LYS 4 HN LYS 4 -15.840 -3.406 6.485 23 HA LYS 4 HA LYS 4 -15.216 -2.819 3.684 24 HB2 LYS 4 HB2 LYS 4 -15.227 -0.660 4.982 25 HB3 LYS 4 HB1 LYS 4 -13.907 -1.303 5.948 26 HG2 LYS 4 HG2 LYS 4 -12.557 -1.519 3.882 27 HG3 LYS 4 HG1 LYS 4 -13.872 -0.753 2.988 28 HD2 LYS 4 HD2 LYS 4 -13.666 1.210 4.514 29 HD3 LYS 4 HD1 LYS 4 -12.240 0.449 5.217 30 HE2 LYS 4 HE2 LYS 4 -11.534 2.050 3.572 31 HE3 LYS 4 HE1 LYS 4 -11.200 0.429 2.964 32 HZ1 LYS 4 HZ1 LYS 4 -13.615 1.999 2.241 33 HZ2 LYS 4 HZ2 LYS 4 -13.090 0.546 1.537 34 HZ3 LYS 4 HZ3 LYS 4 -12.199 1.967 1.311 35 H GLY 5 HN GLY 5 -14.206 -4.639 3.162 36 HA2 GLY 5 HA2 GLY 5 -11.637 -5.148 4.396 37 HA3 GLY 5 HA1 GLY 5 -12.815 -6.439 4.595 38 H VAL 6 HN VAL 6 -10.260 -5.639 2.831 39 HA VAL 6 HA VAL 6 -11.284 -6.325 0.214 40 HB VAL 6 HB VAL 6 -8.426 -5.926 1.065 41 HG11 VAL 6 HG11 VAL 6 -9.697 -5.983 -1.666 42 HG12 VAL 6 HG12 VAL 6 -8.597 -7.187 -0.998 43 HG13 VAL 6 HG13 VAL 6 -8.020 -5.557 -1.339 44 HG21 VAL 6 HG21 VAL 6 -8.633 -3.679 0.120 45 HG22 VAL 6 HG22 VAL 6 -9.750 -3.915 1.464 46 HG23 VAL 6 HG23 VAL 6 -10.342 -3.972 -0.197 47 H GLY 7 HN GLY 7 -8.308 -7.617 1.620 48 HA2 GLY 7 HA2 GLY 7 -7.874 -9.872 2.208 49 HA3 GLY 7 HA1 GLY 7 -9.407 -10.331 1.474 50 H VAL 8 HN VAL 8 -6.042 -9.755 0.951 51 HA VAL 8 HA VAL 8 -6.384 -10.459 -1.882 52 HB VAL 8 HB VAL 8 -4.465 -9.229 -2.491 53 HG11 VAL 8 HG11 VAL 8 -4.861 -6.963 -1.649 54 HG12 VAL 8 HG12 VAL 8 -5.905 -7.625 -0.395 55 HG13 VAL 8 HG13 VAL 8 -6.354 -7.791 -2.092 56 HG21 VAL 8 HG21 VAL 8 -2.860 -8.270 -0.983 57 HG22 VAL 8 HG22 VAL 8 -3.019 -9.994 -0.646 58 HG23 VAL 8 HG23 VAL 8 -3.790 -8.812 0.414 59 H SER 9 HN SER 9 -4.800 -11.870 -2.813 60 HA SER 9 HA SER 9 -3.958 -13.929 -0.982 61 HB2 SER 9 HB2 SER 9 -4.975 -14.339 -3.287 62 HB3 SER 9 HB1 SER 9 -3.439 -13.797 -3.963 63 HG SER 9 HG SER 9 -4.084 -16.211 -3.095 64 H ASN 10 HN ASN 10 -1.667 -14.882 -1.547 65 HA ASN 10 HA ASN 10 0.199 -12.959 -0.617 66 HB2 ASN 10 HB2 ASN 10 0.606 -15.192 0.063 67 HB3 ASN 10 HB1 ASN 10 0.454 -15.806 -1.579 68 HD21 ASN 10 HD21 ASN 10 2.540 -14.122 0.667 69 HD22 ASN 10 HD22 ASN 10 3.996 -14.306 -0.252 70 H GLU 11 HN GLU 11 -0.772 -14.068 -3.708 71 HA GLU 11 HA GLU 11 1.473 -13.231 -5.206 72 HB2 GLU 11 HB2 GLU 11 -0.103 -14.809 -6.125 73 HB3 GLU 11 HB1 GLU 11 -1.416 -13.649 -5.983 74 HG2 GLU 11 HG2 GLU 11 -0.193 -12.208 -7.625 75 HG3 GLU 11 HG1 GLU 11 0.959 -13.532 -7.814 76 H LYS 12 HN LYS 12 -1.636 -11.662 -4.461 77 HA LYS 12 HA LYS 12 -0.854 -9.233 -5.740 78 HB2 LYS 12 HB2 LYS 12 -3.160 -9.898 -3.930 79 HB3 LYS 12 HB1 LYS 12 -2.869 -8.279 -4.564 80 HG2 LYS 12 HG2 LYS 12 -2.822 -9.335 -6.875 81 HG3 LYS 12 HG1 LYS 12 -3.506 -10.773 -6.127 82 HD2 LYS 12 HD2 LYS 12 -5.472 -9.577 -5.471 83 HD3 LYS 12 HD1 LYS 12 -4.756 -8.032 -5.958 84 HE2 LYS 12 HE2 LYS 12 -4.611 -8.934 -8.285 85 HE3 LYS 12 HE1 LYS 12 -5.523 -10.338 -7.743 86 HZ1 LYS 12 HZ1 LYS 12 -7.357 -8.881 -7.159 87 HZ2 LYS 12 HZ2 LYS 12 -6.950 -8.715 -8.797 88 HZ3 LYS 12 HZ3 LYS 12 -6.477 -7.528 -7.686 89 H LEU 13 HN LEU 13 -0.362 -10.616 -2.640 90 HA LEU 13 HA LEU 13 0.450 -8.199 -1.331 91 HB2 LEU 13 HB2 LEU 13 -0.185 -10.355 -0.193 92 HB3 LEU 13 HB1 LEU 13 1.346 -11.026 -0.719 93 HG LEU 13 HG LEU 13 2.122 -8.712 0.532 94 HD11 LEU 13 HD11 LEU 13 -0.117 -8.286 1.354 95 HD12 LEU 13 HD12 LEU 13 0.960 -8.697 2.690 96 HD13 LEU 13 HD13 LEU 13 -0.178 -9.895 2.072 97 HD21 LEU 13 HD21 LEU 13 1.845 -11.478 1.688 98 HD22 LEU 13 HD22 LEU 13 2.874 -10.197 2.332 99 HD23 LEU 13 HD23 LEU 13 3.196 -10.869 0.730 100 H ASP 14 HN ASP 14 1.952 -10.443 -3.532 101 HA ASP 14 HA ASP 14 4.625 -9.507 -2.983 102 HB2 ASP 14 HB2 ASP 14 3.637 -11.805 -4.074 103 HB3 ASP 14 HB1 ASP 14 4.140 -10.950 -5.513 104 H ALA 15 HN ALA 15 2.023 -8.785 -5.088 105 HA ALA 15 HA ALA 15 3.582 -7.440 -7.101 106 HB1 ALA 15 HB1 ALA 15 0.596 -7.328 -6.700 107 HB2 ALA 15 HB2 ALA 15 1.418 -8.631 -7.556 108 HB3 ALA 15 HB3 ALA 15 1.491 -6.977 -8.179 109 H VAL 16 HN VAL 16 1.811 -6.559 -4.227 110 HA VAL 16 HA VAL 16 1.652 -3.798 -4.774 111 HB VAL 16 HB VAL 16 0.159 -4.597 -3.142 112 HG11 VAL 16 HG11 VAL 16 1.349 -6.600 -2.463 113 HG12 VAL 16 HG12 VAL 16 0.878 -5.664 -1.041 114 HG13 VAL 16 HG13 VAL 16 2.551 -5.626 -1.611 115 HG21 VAL 16 HG21 VAL 16 2.333 -3.059 -1.718 116 HG22 VAL 16 HG22 VAL 16 0.659 -3.212 -1.178 117 HG23 VAL 16 HG23 VAL 16 1.027 -2.368 -2.681 118 H MET 17 HN MET 17 4.030 -5.761 -3.043 119 HA MET 17 HA MET 17 5.463 -3.707 -1.819 120 HB2 MET 17 HB2 MET 17 6.732 -6.233 -2.893 121 HB3 MET 17 HB1 MET 17 7.244 -5.261 -1.530 122 HG2 MET 17 HG2 MET 17 5.092 -5.891 -0.407 123 HG3 MET 17 HG1 MET 17 4.869 -7.055 -1.710 124 HE1 MET 17 HE1 MET 17 4.742 -8.284 1.052 125 HE2 MET 17 HE2 MET 17 5.920 -9.598 0.975 126 HE3 MET 17 HE3 MET 17 4.868 -9.269 -0.404 127 H ARG 18 HN ARG 18 5.616 -4.928 -5.104 128 HA ARG 18 HA ARG 18 8.071 -3.550 -5.655 129 HB2 ARG 18 HB2 ARG 18 7.808 -4.406 -7.932 130 HB3 ARG 18 HB1 ARG 18 7.725 -5.670 -6.714 131 HG2 ARG 18 HG2 ARG 18 5.201 -5.439 -6.883 132 HG3 ARG 18 HG1 ARG 18 5.514 -4.493 -8.338 133 HD2 ARG 18 HD2 ARG 18 5.112 -6.776 -8.975 134 HD3 ARG 18 HD1 ARG 18 6.821 -6.413 -9.218 135 HE ARG 18 HE ARG 18 5.910 -7.781 -6.771 136 HH11 ARG 18 HH11 ARG 18 7.851 -7.731 -9.685 137 HH12 ARG 18 HH12 ARG 18 8.781 -9.125 -9.241 138 HH21 ARG 18 HH21 ARG 18 7.116 -9.634 -6.187 139 HH22 ARG 18 HH22 ARG 18 8.378 -10.200 -7.247 140 H VAL 19 HN VAL 19 4.644 -2.902 -6.083 141 HA VAL 19 HA VAL 19 5.042 -0.675 -7.842 142 HB VAL 19 HB VAL 19 2.736 -1.428 -6.022 143 HG11 VAL 19 HG11 VAL 19 2.942 0.879 -7.944 144 HG12 VAL 19 HG12 VAL 19 2.736 0.977 -6.199 145 HG13 VAL 19 HG13 VAL 19 1.445 0.322 -7.208 146 HG21 VAL 19 HG21 VAL 19 2.999 -1.457 -9.030 147 HG22 VAL 19 HG22 VAL 19 1.601 -1.988 -8.095 148 HG23 VAL 19 HG23 VAL 19 3.127 -2.870 -7.982 149 H VAL 20 HN VAL 20 4.927 -1.263 -4.442 150 HA VAL 20 HA VAL 20 5.193 1.411 -3.539 151 HB VAL 20 HB VAL 20 5.729 -1.308 -2.323 152 HG11 VAL 20 HG11 VAL 20 6.147 1.318 -0.897 153 HG12 VAL 20 HG12 VAL 20 7.445 0.265 -1.458 154 HG13 VAL 20 HG13 VAL 20 6.325 -0.300 -0.216 155 HG21 VAL 20 HG21 VAL 20 3.934 -0.583 -0.769 156 HG22 VAL 20 HG22 VAL 20 3.406 -0.628 -2.450 157 HG23 VAL 20 HG23 VAL 20 3.784 0.916 -1.685 158 H SER 21 HN SER 21 7.481 -1.074 -4.569 159 HA SER 21 HA SER 21 9.802 0.220 -3.662 160 HB2 SER 21 HB2 SER 21 9.170 -2.046 -5.534 161 HB3 SER 21 HB1 SER 21 10.804 -1.481 -5.319 162 HG SER 21 HG SER 21 9.066 -2.431 -3.301 163 H GLU 22 HN GLU 22 7.840 0.613 -6.520 164 HA GLU 22 HA GLU 22 10.024 1.722 -8.047 165 HB2 GLU 22 HB2 GLU 22 7.098 1.357 -8.705 166 HB3 GLU 22 HB1 GLU 22 8.300 1.991 -9.830 167 HG2 GLU 22 HG2 GLU 22 9.560 -0.146 -9.575 168 HG3 GLU 22 HG1 GLU 22 8.220 -0.759 -8.610 169 H GLU 23 HN GLU 23 7.141 2.809 -6.384 170 HA GLU 23 HA GLU 23 7.259 5.475 -7.373 171 HB2 GLU 23 HB2 GLU 23 5.690 4.092 -5.215 172 HB3 GLU 23 HB1 GLU 23 5.494 5.805 -5.556 173 HG2 GLU 23 HG2 GLU 23 5.166 3.613 -7.572 174 HG3 GLU 23 HG1 GLU 23 3.839 4.344 -6.670 175 H SER 24 HN SER 24 8.306 3.870 -4.411 176 HA SER 24 HA SER 24 8.989 6.354 -3.125 177 HB2 SER 24 HB2 SER 24 9.942 4.885 -1.384 178 HB3 SER 24 HB1 SER 24 8.276 4.487 -1.766 179 HG SER 24 HG SER 24 8.888 2.623 -2.619 180 H GLY 25 HN GLY 25 10.738 3.664 -4.616 181 HA2 GLY 25 HA2 GLY 25 12.712 4.188 -5.970 182 HA3 GLY 25 HA1 GLY 25 13.118 5.415 -4.776 183 H ILE 26 HN ILE 26 12.019 2.967 -2.943 184 HA ILE 26 HA ILE 26 14.673 2.146 -2.214 185 HB ILE 26 HB ILE 26 12.204 0.705 -1.281 186 HG12 ILE 26 HG12 ILE 26 13.257 3.245 0.003 187 HG13 ILE 26 HG11 ILE 26 11.849 3.200 -1.055 188 HG21 ILE 26 HG21 ILE 26 13.525 0.446 0.768 189 HG22 ILE 26 HG22 ILE 26 14.838 1.363 0.023 190 HG23 ILE 26 HG23 ILE 26 14.358 -0.197 -0.651 191 HD11 ILE 26 HD11 ILE 26 10.700 1.744 0.507 192 HD12 ILE 26 HD12 ILE 26 11.285 3.179 1.356 193 HD13 ILE 26 HD13 ILE 26 12.141 1.649 1.514 194 H ALA 27 HN ALA 27 15.698 0.260 -2.650 195 HA ALA 27 HA ALA 27 14.834 -1.390 -4.786 196 HB1 ALA 27 HB1 ALA 27 16.961 -1.850 -2.692 197 HB2 ALA 27 HB2 ALA 27 17.198 -1.122 -4.282 198 HB3 ALA 27 HB3 ALA 27 16.739 -2.821 -4.148 199 H LEU 28 HN LEU 28 13.855 -3.365 -4.771 200 HA LEU 28 HA LEU 28 11.937 -3.897 -2.841 201 HB2 LEU 28 HB2 LEU 28 11.748 -4.735 -5.077 202 HB3 LEU 28 HB1 LEU 28 13.207 -5.684 -4.907 203 HG LEU 28 HG LEU 28 12.026 -7.090 -3.214 204 HD11 LEU 28 HD11 LEU 28 10.298 -5.636 -2.451 205 HD12 LEU 28 HD12 LEU 28 9.527 -6.993 -3.271 206 HD13 LEU 28 HD13 LEU 28 9.669 -5.437 -4.085 207 HD21 LEU 28 HD21 LEU 28 10.722 -8.320 -4.877 208 HD22 LEU 28 HD22 LEU 28 12.277 -7.790 -5.524 209 HD23 LEU 28 HD23 LEU 28 10.801 -6.928 -5.959 210 H GLU 29 HN GLU 29 15.260 -4.987 -2.998 211 HA GLU 29 HA GLU 29 14.912 -7.089 -1.060 212 HB2 GLU 29 HB2 GLU 29 17.533 -5.860 -1.897 213 HB3 GLU 29 HB1 GLU 29 17.239 -7.481 -1.293 214 HG2 GLU 29 HG2 GLU 29 16.111 -8.085 -3.360 215 HG3 GLU 29 HG1 GLU 29 16.287 -6.434 -3.954 216 H GLU 30 HN GLU 30 15.069 -3.764 -0.827 217 HA GLU 30 HA GLU 30 16.207 -3.906 1.890 218 HB2 GLU 30 HB2 GLU 30 15.700 -1.445 0.209 219 HB3 GLU 30 HB1 GLU 30 16.509 -1.492 1.771 220 HG2 GLU 30 HG2 GLU 30 18.315 -2.838 0.728 221 HG3 GLU 30 HG1 GLU 30 17.514 -2.607 -0.825 222 H LEU 31 HN LEU 31 13.345 -3.918 0.279 223 HA LEU 31 HA LEU 31 11.841 -2.144 1.946 224 HB2 LEU 31 HB2 LEU 31 11.208 -2.755 -0.402 225 HB3 LEU 31 HB1 LEU 31 10.822 -4.369 0.168 226 HG LEU 31 HG LEU 31 9.092 -3.378 1.665 227 HD11 LEU 31 HD11 LEU 31 8.401 -1.062 1.277 228 HD12 LEU 31 HD12 LEU 31 9.762 -0.844 0.172 229 HD13 LEU 31 HD13 LEU 31 10.058 -1.150 1.882 230 HD21 LEU 31 HD21 LEU 31 7.490 -2.930 -0.104 231 HD22 LEU 31 HD22 LEU 31 8.529 -4.289 -0.542 232 HD23 LEU 31 HD23 LEU 31 8.804 -2.701 -1.258 233 H THR 32 HN THR 32 12.053 -2.697 4.044 234 HA THR 32 HA THR 32 11.004 -5.339 4.811 235 HB THR 32 HB THR 32 12.362 -5.326 6.771 236 HG1 THR 32 HG1 THR 32 13.066 -3.542 7.687 237 HG21 THR 32 HG21 THR 32 13.641 -5.912 4.790 238 HG22 THR 32 HG22 THR 32 14.662 -5.034 5.928 239 HG23 THR 32 HG23 THR 32 14.023 -4.214 4.500 240 H ASP 33 HN ASP 33 9.857 -5.268 6.969 241 HA ASP 33 HA ASP 33 7.858 -3.226 6.851 242 HB2 ASP 33 HB2 ASP 33 6.999 -4.361 8.943 243 HB3 ASP 33 HB1 ASP 33 7.117 -5.378 7.513 244 H ASP 34 HN ASP 34 10.915 -3.168 8.109 245 HA ASP 34 HA ASP 34 10.466 -1.583 10.452 246 HB2 ASP 34 HB2 ASP 34 12.955 -1.724 8.730 247 HB3 ASP 34 HB1 ASP 34 12.861 -1.128 10.383 248 H SER 35 HN SER 35 10.485 -0.996 7.077 249 HA SER 35 HA SER 35 11.401 1.729 7.181 250 HB2 SER 35 HB2 SER 35 9.925 0.303 4.955 251 HB3 SER 35 HB1 SER 35 10.868 1.784 4.811 252 HG SER 35 HG SER 35 12.388 -0.114 5.936 253 H ASN 36 HN ASN 36 10.222 3.570 6.645 254 HA ASN 36 HA ASN 36 7.346 3.416 7.300 255 HB2 ASN 36 HB2 ASN 36 8.810 4.224 9.207 256 HB3 ASN 36 HB1 ASN 36 9.272 5.574 8.192 257 HD21 ASN 36 HD21 ASN 36 6.774 4.314 10.265 258 HD22 ASN 36 HD22 ASN 36 5.742 5.683 10.144 259 H PHE 37 HN PHE 37 6.110 4.428 5.811 260 HA PHE 37 HA PHE 37 7.166 5.328 3.394 261 HB2 PHE 37 HB2 PHE 37 4.486 5.463 4.681 262 HB3 PHE 37 HB1 PHE 37 4.776 6.492 3.280 263 HD1 PHE 37 HD1 PHE 37 6.009 5.252 1.307 264 HD2 PHE 37 HD2 PHE 37 3.613 3.354 4.260 265 HE1 PHE 37 HE1 PHE 37 5.635 3.380 -0.218 266 HE2 PHE 37 HE2 PHE 37 3.228 1.460 2.734 267 HZ PHE 37 HZ PHE 37 4.239 1.473 0.488 268 H ALA 38 HN ALA 38 5.822 7.266 6.063 269 HA ALA 38 HA ALA 38 6.357 9.741 4.764 270 HB1 ALA 38 HB1 ALA 38 5.791 10.720 6.976 271 HB2 ALA 38 HB2 ALA 38 5.676 9.080 7.623 272 HB3 ALA 38 HB3 ALA 38 4.577 9.606 6.345 273 H ASP 39 HN ASP 39 8.121 7.707 6.980 274 HA ASP 39 HA ASP 39 10.169 9.567 7.671 275 HB2 ASP 39 HB2 ASP 39 9.752 7.572 9.027 276 HB3 ASP 39 HB1 ASP 39 10.156 6.536 7.663 277 H MET 40 HN MET 40 9.609 7.437 5.007 278 HA MET 40 HA MET 40 12.290 7.463 3.995 279 HB2 MET 40 HB2 MET 40 9.992 5.988 3.503 280 HB3 MET 40 HB1 MET 40 10.171 6.940 2.042 281 HG2 MET 40 HG2 MET 40 12.300 5.165 3.216 282 HG3 MET 40 HG1 MET 40 11.224 4.729 1.895 283 HE1 MET 40 HE1 MET 40 12.335 7.215 -0.923 284 HE2 MET 40 HE2 MET 40 11.071 7.502 0.273 285 HE3 MET 40 HE3 MET 40 11.233 5.913 -0.475 286 H GLY 41 HN GLY 41 9.597 9.588 3.818 287 HA2 GLY 41 HA2 GLY 41 9.934 11.852 2.964 288 HA3 GLY 41 HA1 GLY 41 11.005 11.171 1.742 289 H ILE 42 HN ILE 42 8.284 9.284 2.326 290 HA ILE 42 HA ILE 42 7.174 9.819 -0.264 291 HB ILE 42 HB ILE 42 6.193 8.097 2.021 292 HG12 ILE 42 HG12 ILE 42 8.343 7.507 0.894 293 HG13 ILE 42 HG11 ILE 42 7.104 6.258 0.801 294 HG21 ILE 42 HG21 ILE 42 4.287 8.746 0.719 295 HG22 ILE 42 HG22 ILE 42 4.686 7.066 0.355 296 HG23 ILE 42 HG23 ILE 42 5.124 8.344 -0.783 297 HD11 ILE 42 HD11 ILE 42 7.822 8.202 -1.387 298 HD12 ILE 42 HD12 ILE 42 6.593 6.941 -1.485 299 HD13 ILE 42 HD13 ILE 42 8.291 6.504 -1.305 300 H ASP 43 HN ASP 43 5.983 11.567 -0.652 301 HA ASP 43 HA ASP 43 4.361 12.700 1.518 302 HB2 ASP 43 HB2 ASP 43 5.950 14.089 0.026 303 HB3 ASP 43 HB1 ASP 43 4.733 13.884 -1.226 304 H SER 44 HN SER 44 2.321 13.872 0.119 305 HA SER 44 HA SER 44 0.572 11.652 -0.045 306 HB2 SER 44 HB2 SER 44 -0.229 13.715 0.855 307 HB3 SER 44 HB1 SER 44 0.149 14.581 -0.636 308 H LEU 45 HN LEU 45 2.238 13.582 -2.430 309 HA LEU 45 HA LEU 45 0.703 13.054 -4.691 310 HB2 LEU 45 HB2 LEU 45 2.661 14.657 -4.481 311 HB3 LEU 45 HB1 LEU 45 3.725 13.272 -4.629 312 HG LEU 45 HG LEU 45 3.398 14.642 -6.710 313 HD11 LEU 45 HD11 LEU 45 4.281 12.390 -6.842 314 HD12 LEU 45 HD12 LEU 45 3.214 12.710 -8.208 315 HD13 LEU 45 HD13 LEU 45 2.648 11.728 -6.858 316 HD21 LEU 45 HD21 LEU 45 1.360 14.264 -8.014 317 HD22 LEU 45 HD22 LEU 45 1.022 15.095 -6.498 318 HD23 LEU 45 HD23 LEU 45 0.662 13.376 -6.660 319 H SER 46 HN SER 46 3.647 11.274 -3.653 320 HA SER 46 HA SER 46 3.280 9.231 -5.571 321 HB2 SER 46 HB2 SER 46 5.459 9.777 -4.464 322 HB3 SER 46 HB1 SER 46 4.841 9.046 -2.986 323 HG SER 46 HG SER 46 4.838 7.600 -5.408 324 H SER 47 HN SER 47 2.348 9.530 -2.187 325 HA SER 47 HA SER 47 1.533 6.915 -1.705 326 HB2 SER 47 HB2 SER 47 0.371 9.481 -0.602 327 HB3 SER 47 HB1 SER 47 0.140 7.873 0.089 328 HG SER 47 HG SER 47 2.443 9.480 0.017 329 H MET 48 HN MET 48 -0.177 9.559 -3.267 330 HA MET 48 HA MET 48 -2.699 8.211 -3.342 331 HB2 MET 48 HB2 MET 48 -2.357 10.733 -3.464 332 HB3 MET 48 HB1 MET 48 -1.716 10.512 -5.072 333 HG2 MET 48 HG2 MET 48 -4.572 9.898 -4.254 334 HG3 MET 48 HG1 MET 48 -4.026 11.352 -5.065 335 HE1 MET 48 HE1 MET 48 -1.893 10.281 -7.156 336 HE2 MET 48 HE2 MET 48 -3.148 11.460 -7.541 337 HE3 MET 48 HE3 MET 48 -2.927 10.048 -8.568 338 H VAL 49 HN VAL 49 -0.015 8.728 -5.518 339 HA VAL 49 HA VAL 49 -1.158 7.611 -7.828 340 HB VAL 49 HB VAL 49 1.745 7.945 -7.017 341 HG11 VAL 49 HG11 VAL 49 1.375 6.098 -8.679 342 HG12 VAL 49 HG12 VAL 49 2.396 7.415 -9.250 343 HG13 VAL 49 HG13 VAL 49 0.715 7.305 -9.779 344 HG21 VAL 49 HG21 VAL 49 0.578 10.063 -7.357 345 HG22 VAL 49 HG22 VAL 49 -0.019 9.511 -8.920 346 HG23 VAL 49 HG23 VAL 49 1.705 9.782 -8.681 347 H ILE 50 HN ILE 50 0.901 6.158 -5.298 348 HA ILE 50 HA ILE 50 1.119 3.589 -6.276 349 HB ILE 50 HB ILE 50 0.698 4.378 -3.388 350 HG12 ILE 50 HG12 ILE 50 3.284 4.000 -4.922 351 HG13 ILE 50 HG11 ILE 50 2.580 5.566 -4.523 352 HG21 ILE 50 HG21 ILE 50 1.943 1.916 -4.605 353 HG22 ILE 50 HG22 ILE 50 0.393 1.999 -3.769 354 HG23 ILE 50 HG23 ILE 50 1.890 2.298 -2.881 355 HD11 ILE 50 HD11 ILE 50 3.477 3.499 -2.529 356 HD12 ILE 50 HD12 ILE 50 2.835 5.098 -2.160 357 HD13 ILE 50 HD13 ILE 50 4.380 4.941 -2.995 358 H GLY 51 HN GLY 51 -1.449 4.881 -4.155 359 HA2 GLY 51 HA2 GLY 51 -3.043 2.563 -4.102 360 HA3 GLY 51 HA1 GLY 51 -3.610 4.195 -3.792 361 H SER 52 HN SER 52 -2.861 5.200 -6.402 362 HA SER 52 HA SER 52 -5.136 4.575 -7.907 363 HB2 SER 52 HB2 SER 52 -2.780 6.259 -8.117 364 HB3 SER 52 HB1 SER 52 -3.339 5.704 -9.686 365 HG SER 52 HG SER 52 -4.567 7.372 -7.805 366 H ARG 53 HN ARG 53 -1.733 3.584 -8.260 367 HA ARG 53 HA ARG 53 -2.124 2.001 -10.569 368 HB2 ARG 53 HB2 ARG 53 0.001 1.672 -8.453 369 HB3 ARG 53 HB1 ARG 53 0.046 1.032 -10.092 370 HG2 ARG 53 HG2 ARG 53 -0.113 3.403 -10.898 371 HG3 ARG 53 HG1 ARG 53 0.167 3.897 -9.230 372 HD2 ARG 53 HD2 ARG 53 2.348 3.810 -9.794 373 HD3 ARG 53 HD1 ARG 53 2.133 2.065 -9.606 374 HE ARG 53 HE ARG 53 1.432 2.385 -12.158 375 HH11 ARG 53 HH11 ARG 53 4.134 3.788 -10.433 376 HH12 ARG 53 HH12 ARG 53 5.242 3.571 -11.752 377 HH21 ARG 53 HH21 ARG 53 2.864 2.127 -13.889 378 HH22 ARG 53 HH22 ARG 53 4.509 2.671 -13.742 379 H PHE 54 HN PHE 54 -2.548 1.378 -7.152 380 HA PHE 54 HA PHE 54 -2.811 -1.415 -7.187 381 HB2 PHE 54 HB2 PHE 54 -4.226 0.710 -5.572 382 HB3 PHE 54 HB1 PHE 54 -4.545 -0.996 -5.351 383 HD1 PHE 54 HD1 PHE 54 -1.140 -0.887 -6.078 384 HD2 PHE 54 HD2 PHE 54 -3.935 0.149 -3.035 385 HE1 PHE 54 HE1 PHE 54 0.647 -0.977 -4.393 386 HE2 PHE 54 HE2 PHE 54 -2.146 0.044 -1.356 387 HZ PHE 54 HZ PHE 54 0.149 -0.523 -2.036 388 H ARG 55 HN ARG 55 -5.055 1.158 -8.082 389 HA ARG 55 HA ARG 55 -7.244 -0.666 -8.478 390 HB2 ARG 55 HB2 ARG 55 -7.161 2.154 -9.529 391 HB3 ARG 55 HB1 ARG 55 -8.554 1.210 -9.021 392 HG2 ARG 55 HG2 ARG 55 -7.183 1.337 -6.705 393 HG3 ARG 55 HG1 ARG 55 -6.692 2.855 -7.461 394 HD2 ARG 55 HD2 ARG 55 -9.425 1.952 -6.646 395 HD3 ARG 55 HD1 ARG 55 -8.602 3.473 -6.303 396 HE ARG 55 HE ARG 55 -9.120 3.113 -9.096 397 HH11 ARG 55 HH11 ARG 55 -10.476 4.261 -6.077 398 HH12 ARG 55 HH12 ARG 55 -11.764 5.139 -6.849 399 HH21 ARG 55 HH21 ARG 55 -10.798 4.275 -10.113 400 HH22 ARG 55 HH22 ARG 55 -11.942 5.153 -9.136 401 H GLU 56 HN GLU 56 -4.773 0.860 -10.431 402 HA GLU 56 HA GLU 56 -6.095 0.294 -12.922 403 HB2 GLU 56 HB2 GLU 56 -3.259 1.193 -12.386 404 HB3 GLU 56 HB1 GLU 56 -4.032 1.147 -13.965 405 HG2 GLU 56 HG2 GLU 56 -5.686 2.788 -13.166 406 HG3 GLU 56 HG1 GLU 56 -4.824 2.874 -11.630 407 H ASP 57 HN ASP 57 -3.222 -0.937 -11.247 408 HA ASP 57 HA ASP 57 -2.897 -2.991 -13.294 409 HB2 ASP 57 HB2 ASP 57 -1.201 -1.943 -11.075 410 HB3 ASP 57 HB1 ASP 57 -0.896 -3.572 -11.670 411 H LEU 58 HN LEU 58 -3.429 -2.850 -9.784 412 HA LEU 58 HA LEU 58 -3.585 -5.758 -9.699 413 HB2 LEU 58 HB2 LEU 58 -3.399 -3.612 -7.612 414 HB3 LEU 58 HB1 LEU 58 -3.969 -5.207 -7.164 415 HG LEU 58 HG LEU 58 -1.856 -6.187 -7.952 416 HD11 LEU 58 HD11 LEU 58 -1.340 -4.508 -9.673 417 HD12 LEU 58 HD12 LEU 58 0.015 -4.796 -8.580 418 HD13 LEU 58 HD13 LEU 58 -0.973 -3.344 -8.399 419 HD21 LEU 58 HD21 LEU 58 -1.504 -3.912 -6.006 420 HD22 LEU 58 HD22 LEU 58 -0.413 -5.288 -6.192 421 HD23 LEU 58 HD23 LEU 58 -2.059 -5.541 -5.614 422 H GLY 59 HN GLY 59 -5.703 -3.136 -9.990 423 HA2 GLY 59 HA2 GLY 59 -7.994 -3.114 -10.256 424 HA3 GLY 59 HA1 GLY 59 -7.968 -4.865 -10.104 425 H LEU 60 HN LEU 60 -6.721 -2.660 -7.676 426 HA LEU 60 HA LEU 60 -8.559 -3.811 -5.736 427 HB2 LEU 60 HB2 LEU 60 -6.292 -1.860 -5.375 428 HB3 LEU 60 HB1 LEU 60 -7.181 -2.635 -4.082 429 HG LEU 60 HG LEU 60 -5.472 -4.085 -6.102 430 HD11 LEU 60 HD11 LEU 60 -3.892 -4.389 -4.272 431 HD12 LEU 60 HD12 LEU 60 -4.908 -3.408 -3.217 432 HD13 LEU 60 HD13 LEU 60 -4.133 -2.676 -4.621 433 HD21 LEU 60 HD21 LEU 60 -6.854 -5.032 -3.594 434 HD22 LEU 60 HD22 LEU 60 -5.745 -5.986 -4.573 435 HD23 LEU 60 HD23 LEU 60 -7.285 -5.458 -5.251 436 H ASP 61 HN ASP 61 -10.505 -2.821 -5.386 437 HA ASP 61 HA ASP 61 -10.682 0.050 -5.840 438 HB2 ASP 61 HB2 ASP 61 -13.104 -0.202 -5.747 439 HB3 ASP 61 HB1 ASP 61 -12.414 -1.330 -6.909 440 H LEU 62 HN LEU 62 -9.376 0.500 -4.052 441 HA LEU 62 HA LEU 62 -10.132 -0.164 -1.380 442 HB2 LEU 62 HB2 LEU 62 -8.305 2.003 -2.397 443 HB3 LEU 62 HB1 LEU 62 -8.359 1.395 -0.753 444 HG LEU 62 HG LEU 62 -7.654 -0.364 -3.092 445 HD11 LEU 62 HD11 LEU 62 -5.315 0.012 -2.517 446 HD12 LEU 62 HD12 LEU 62 -5.800 1.227 -1.332 447 HD13 LEU 62 HD13 LEU 62 -6.094 1.501 -3.049 448 HD21 LEU 62 HD21 LEU 62 -6.607 -1.736 -1.364 449 HD22 LEU 62 HD22 LEU 62 -8.323 -1.498 -1.028 450 HD23 LEU 62 HD23 LEU 62 -7.113 -0.581 -0.131 451 H GLY 63 HN GLY 63 -10.864 2.348 -3.596 452 HA2 GLY 63 HA2 GLY 63 -13.082 3.455 -2.825 453 HA3 GLY 63 HA1 GLY 63 -12.045 4.030 -1.527 454 HA PRO 64 HA PRO 64 -11.469 6.877 -5.198 455 HB2 PRO 64 HB2 PRO 64 -13.239 8.824 -4.743 456 HB3 PRO 64 HB1 PRO 64 -13.724 7.315 -5.542 457 HG2 PRO 64 HG2 PRO 64 -14.108 8.169 -2.704 458 HG3 PRO 64 HG1 PRO 64 -15.234 7.318 -3.771 459 HD2 PRO 64 HD2 PRO 64 -13.629 6.124 -1.843 460 HD3 PRO 64 HD1 PRO 64 -14.359 5.286 -3.226 461 H GLU 65 HN GLU 65 -11.389 6.973 -1.856 462 HA GLU 65 HA GLU 65 -9.934 9.522 -1.810 463 HB2 GLU 65 HB2 GLU 65 -12.426 9.614 -1.111 464 HB3 GLU 65 HB1 GLU 65 -11.915 8.737 0.328 465 HG2 GLU 65 HG2 GLU 65 -10.536 10.558 1.028 466 HG3 GLU 65 HG1 GLU 65 -10.788 11.411 -0.500 467 H PHE 66 HN PHE 66 -8.711 7.112 -1.897 468 HA PHE 66 HA PHE 66 -7.841 6.608 0.873 469 HB2 PHE 66 HB2 PHE 66 -8.733 4.614 -0.250 470 HB3 PHE 66 HB1 PHE 66 -7.566 4.806 -1.552 471 HD1 PHE 66 HD2 PHE 66 -7.998 3.941 1.998 472 HD2 PHE 66 HD1 PHE 66 -5.319 4.045 -1.311 473 HE1 PHE 66 HE2 PHE 66 -6.422 2.524 3.232 474 HE2 PHE 66 HE1 PHE 66 -3.741 2.613 -0.075 475 HZ PHE 66 HZ PHE 66 -4.286 1.858 2.203 476 H SER 67 HN SER 67 -5.832 7.128 1.463 477 HA SER 67 HA SER 67 -3.761 7.402 -0.575 478 HB2 SER 67 HB2 SER 67 -4.706 9.685 -0.203 479 HB3 SER 67 HB1 SER 67 -4.305 9.543 1.510 480 HG SER 67 HG SER 67 -2.767 10.474 -0.353 481 H LEU 68 HN LEU 68 -1.892 6.509 0.064 482 HA LEU 68 HA LEU 68 -1.622 5.114 2.480 483 HB2 LEU 68 HB2 LEU 68 0.542 6.136 0.646 484 HB3 LEU 68 HB1 LEU 68 0.779 4.954 1.912 485 HG LEU 68 HG LEU 68 -0.792 4.619 -0.628 486 HD11 LEU 68 HD11 LEU 68 0.855 2.766 -0.922 487 HD12 LEU 68 HD12 LEU 68 1.706 3.374 0.499 488 HD13 LEU 68 HD13 LEU 68 1.562 4.380 -0.947 489 HD21 LEU 68 HD21 LEU 68 -0.518 2.721 1.693 490 HD22 LEU 68 HD22 LEU 68 -1.273 2.359 0.141 491 HD23 LEU 68 HD23 LEU 68 -1.991 3.561 1.212 492 H PHE 69 HN PHE 69 -0.687 8.331 1.527 493 HA PHE 69 HA PHE 69 1.183 8.918 3.512 494 HB2 PHE 69 HB2 PHE 69 0.771 10.202 1.414 495 HB3 PHE 69 HB1 PHE 69 -0.721 10.821 2.116 496 HD1 PHE 69 HD1 PHE 69 2.851 10.499 3.147 497 HD2 PHE 69 HD2 PHE 69 -0.609 12.951 2.870 498 HE1 PHE 69 HE1 PHE 69 4.109 12.375 4.118 499 HE2 PHE 69 HE2 PHE 69 0.640 14.834 3.848 500 HZ PHE 69 HZ PHE 69 3.007 14.545 4.468 501 H ILE 70 HN ILE 70 -2.148 8.397 3.836 502 HA ILE 70 HA ILE 70 -2.209 9.922 6.365 503 HB ILE 70 HB ILE 70 -4.537 9.460 4.463 504 HG12 ILE 70 HG12 ILE 70 -3.150 11.993 5.374 505 HG13 ILE 70 HG11 ILE 70 -3.003 11.267 3.780 506 HG21 ILE 70 HG21 ILE 70 -5.259 9.253 6.786 507 HG22 ILE 70 HG22 ILE 70 -5.891 10.722 6.040 508 HG23 ILE 70 HG23 ILE 70 -4.529 10.817 7.155 509 HD11 ILE 70 HD11 ILE 70 -5.543 12.370 4.961 510 HD12 ILE 70 HD12 ILE 70 -5.363 11.667 3.354 511 HD13 ILE 70 HD13 ILE 70 -4.526 13.166 3.760 512 H ASP 71 HN ASP 71 -3.176 6.950 4.689 513 HA ASP 71 HA ASP 71 -4.125 5.907 7.287 514 HB2 ASP 71 HB2 ASP 71 -5.785 6.227 5.334 515 HB3 ASP 71 HB1 ASP 71 -5.017 4.807 4.628 516 H CYS 72 HN CYS 72 -1.432 5.733 5.608 517 HA CYS 72 HA CYS 72 -0.859 3.047 6.557 518 HB2 CYS 72 HB2 CYS 72 -0.465 3.817 3.651 519 HB3 CYS 72 HB1 CYS 72 0.225 2.384 4.406 520 HG CYS 72 HG CYS 72 -2.979 2.350 5.013 521 H THR 73 HN THR 73 0.713 3.638 7.937 522 HA THR 73 HA THR 73 2.489 5.836 7.195 523 HB THR 73 HB THR 73 3.204 5.686 9.608 524 HG1 THR 73 HG1 THR 73 1.624 4.454 10.922 525 HG21 THR 73 HG21 THR 73 0.263 6.078 9.018 526 HG22 THR 73 HG22 THR 73 1.526 7.304 8.919 527 HG23 THR 73 HG23 THR 73 1.076 6.622 10.483 528 H THR 74 HN THR 74 2.894 2.536 8.584 529 HA THR 74 HA THR 74 5.637 2.551 7.574 530 HB THR 74 HB THR 74 5.913 0.423 8.779 531 HG1 THR 74 HG1 THR 74 4.041 -0.028 10.289 532 HG21 THR 74 HG21 THR 74 5.651 1.312 11.081 533 HG22 THR 74 HG22 THR 74 4.721 2.657 10.420 534 HG23 THR 74 HG23 THR 74 6.415 2.459 9.980 535 H VAL 75 HN VAL 75 6.202 0.034 6.805 536 HA VAL 75 HA VAL 75 4.784 -0.154 4.307 537 HB VAL 75 HB VAL 75 6.589 -2.368 5.045 538 HG11 VAL 75 HG11 VAL 75 7.422 -1.973 2.770 539 HG12 VAL 75 HG12 VAL 75 6.354 -0.578 2.636 540 HG13 VAL 75 HG13 VAL 75 5.671 -2.194 2.819 541 HG21 VAL 75 HG21 VAL 75 7.582 0.450 4.742 542 HG22 VAL 75 HG22 VAL 75 8.597 -0.986 4.608 543 HG23 VAL 75 HG23 VAL 75 7.781 -0.625 6.129 544 H ARG 76 HN ARG 76 5.177 -2.107 7.199 545 HA ARG 76 HA ARG 76 3.643 -4.306 6.396 546 HB2 ARG 76 HB2 ARG 76 5.226 -4.141 8.359 547 HB3 ARG 76 HB1 ARG 76 3.928 -3.334 9.236 548 HG2 ARG 76 HG2 ARG 76 3.731 -5.552 9.883 549 HG3 ARG 76 HG1 ARG 76 2.533 -5.396 8.598 550 HD2 ARG 76 HD2 ARG 76 4.253 -6.274 7.001 551 HD3 ARG 76 HD1 ARG 76 5.277 -6.613 8.399 552 HE ARG 76 HE ARG 76 2.590 -7.768 8.331 553 HH11 ARG 76 HH11 ARG 76 6.068 -8.226 8.144 554 HH12 ARG 76 HH12 ARG 76 5.956 -9.957 8.214 555 HH21 ARG 76 HH21 ARG 76 2.463 -10.021 8.417 556 HH22 ARG 76 HH22 ARG 76 3.917 -10.975 8.380 557 H ALA 77 HN ALA 77 2.777 -1.162 7.598 558 HA ALA 77 HA ALA 77 0.140 -1.673 8.428 559 HB1 ALA 77 HB1 ALA 77 -0.236 0.703 8.173 560 HB2 ALA 77 HB2 ALA 77 1.217 0.859 7.189 561 HB3 ALA 77 HB3 ALA 77 1.347 0.426 8.895 562 H LEU 78 HN LEU 78 1.568 -1.160 5.279 563 HA LEU 78 HA LEU 78 -0.929 -0.952 3.876 564 HB2 LEU 78 HB2 LEU 78 1.673 -0.395 3.263 565 HB3 LEU 78 HB1 LEU 78 1.456 -1.910 2.424 566 HG LEU 78 HG LEU 78 -0.357 0.455 2.034 567 HD11 LEU 78 HD11 LEU 78 2.156 -0.327 0.571 568 HD12 LEU 78 HD12 LEU 78 1.836 1.179 1.430 569 HD13 LEU 78 HD13 LEU 78 0.964 0.810 -0.057 570 HD21 LEU 78 HD21 LEU 78 -1.333 -1.612 1.300 571 HD22 LEU 78 HD22 LEU 78 0.137 -2.038 0.420 572 HD23 LEU 78 HD23 LEU 78 -0.837 -0.668 -0.105 573 H LYS 79 HN LYS 79 1.556 -3.433 4.272 574 HA LYS 79 HA LYS 79 0.481 -5.557 2.888 575 HB2 LYS 79 HB2 LYS 79 1.825 -5.831 5.576 576 HB3 LYS 79 HB1 LYS 79 1.796 -7.005 4.257 577 HG2 LYS 79 HG2 LYS 79 3.077 -4.279 3.994 578 HG3 LYS 79 HG1 LYS 79 3.992 -5.663 4.594 579 HD2 LYS 79 HD2 LYS 79 3.345 -6.843 2.457 580 HD3 LYS 79 HD1 LYS 79 2.677 -5.309 1.894 581 HE2 LYS 79 HE2 LYS 79 4.860 -5.397 1.006 582 HE3 LYS 79 HE1 LYS 79 4.947 -4.299 2.389 583 HZ1 LYS 79 HZ1 LYS 79 5.715 -6.302 3.704 584 HZ2 LYS 79 HZ2 LYS 79 6.806 -5.716 2.551 585 HZ3 LYS 79 HZ3 LYS 79 5.906 -7.107 2.226 586 H ASP 80 HN ASP 80 -0.026 -4.767 6.300 587 HA ASP 80 HA ASP 80 -1.813 -6.856 6.872 588 HB2 ASP 80 HB2 ASP 80 -0.589 -5.632 8.607 589 HB3 ASP 80 HB1 ASP 80 -1.490 -4.169 8.224 590 H PHE 81 HN PHE 81 -2.331 -3.582 5.759 591 HA PHE 81 HA PHE 81 -5.094 -3.435 6.221 592 HB2 PHE 81 HB2 PHE 81 -3.628 -1.473 5.784 593 HB3 PHE 81 HB1 PHE 81 -3.512 -1.975 4.097 594 HD1 PHE 81 HD1 PHE 81 -5.812 -0.754 6.707 595 HD2 PHE 81 HD2 PHE 81 -5.239 -1.488 2.551 596 HE1 PHE 81 HE1 PHE 81 -7.868 0.495 6.206 597 HE2 PHE 81 HE2 PHE 81 -7.297 -0.240 2.042 598 HZ PHE 81 HZ PHE 81 -8.618 0.753 3.875 599 H MET 82 HN MET 82 -3.245 -4.686 3.511 600 HA MET 82 HA MET 82 -5.317 -4.785 1.603 601 HB2 MET 82 HB2 MET 82 -3.049 -6.740 1.780 602 HB3 MET 82 HB1 MET 82 -3.903 -6.202 0.339 603 HG2 MET 82 HG2 MET 82 -3.007 -3.904 0.747 604 HG3 MET 82 HG1 MET 82 -2.035 -4.592 2.054 605 HE1 MET 82 HE1 MET 82 -2.944 -4.963 -1.717 606 HE2 MET 82 HE2 MET 82 -1.329 -4.884 -2.427 607 HE3 MET 82 HE3 MET 82 -1.961 -3.506 -1.519 608 H LEU 83 HN LEU 83 -4.258 -7.116 4.041 609 HA LEU 83 HA LEU 83 -6.331 -8.990 3.335 610 HB2 LEU 83 HB2 LEU 83 -4.465 -8.852 5.716 611 HB3 LEU 83 HB1 LEU 83 -5.617 -10.145 5.462 612 HG LEU 83 HG LEU 83 -4.396 -10.630 3.282 613 HD11 LEU 83 HD11 LEU 83 -3.238 -8.515 3.025 614 HD12 LEU 83 HD12 LEU 83 -2.097 -9.859 3.090 615 HD13 LEU 83 HD13 LEU 83 -2.324 -8.823 4.501 616 HD21 LEU 83 HD21 LEU 83 -2.876 -10.948 5.875 617 HD22 LEU 83 HD22 LEU 83 -2.551 -11.838 4.387 618 HD23 LEU 83 HD23 LEU 83 -4.086 -12.063 5.229 619 H GLY 84 HN GLY 84 -5.787 -6.505 5.748 620 HA2 GLY 84 HA2 GLY 84 -7.566 -5.113 6.495 621 HA3 GLY 84 HA1 GLY 84 -8.698 -6.397 6.103 622 H SER 85 HN SER 85 -8.649 -8.319 7.505 623 HA SER 85 HA SER 85 -7.627 -7.872 10.190 624 HB2 SER 85 HB2 SER 85 -10.595 -8.099 9.640 625 HB3 SER 85 HB1 SER 85 -9.837 -8.084 11.234 626 HG SER 85 HG SER 85 -9.009 -5.999 9.718 627 H GLY 86 HN GLY 86 -6.449 -9.906 9.369 628 HA2 GLY 86 HA2 GLY 86 -8.148 -12.232 9.949 629 HA3 GLY 86 HA1 GLY 86 -7.020 -12.256 8.602 630 H ASP 87 HN ASP 87 -5.965 -14.027 9.485 631 HA ASP 87 HA ASP 87 -4.790 -14.055 12.065 632 HB2 ASP 87 HB2 ASP 87 -3.882 -15.596 9.621 633 HB3 ASP 87 HB1 ASP 87 -3.608 -16.027 11.307 634 H ALA 88 HN ALA 88 -3.754 -13.015 8.916 635 HA ALA 88 HA ALA 88 -2.138 -11.603 8.211 636 HB1 ALA 88 HB1 ALA 88 -1.417 -11.231 11.115 637 HB2 ALA 88 HB2 ALA 88 -2.590 -10.266 10.213 638 HB3 ALA 88 HB3 ALA 88 -0.884 -10.233 9.762 639 H GLY 89 HN GLY 89 -1.631 -14.535 9.492 640 HA2 GLY 89 HA2 GLY 89 0.121 -15.831 8.385 641 HA3 GLY 89 HA1 GLY 89 1.202 -14.477 8.682 642 H282 PNS 90 H28A PNS 44 -1.526 13.518 -3.522 643 H281 PNS 90 H28B PNS 44 -3.268 13.395 -3.295 644 H303 PNS 90 H30A PNS 44 -2.992 12.973 -5.852 645 H302 PNS 90 H30B PNS 44 -1.306 13.486 -5.784 646 H301 PNS 90 H30C PNS 44 -2.435 14.306 -6.864 647 H313 PNS 90 H31A PNS 44 -4.759 14.342 -4.891 648 H312 PNS 90 H31B PNS 44 -4.285 15.766 -5.819 649 H311 PNS 90 H31C PNS 44 -4.382 15.851 -4.060 650 H32 PNS 90 H32A PNS 44 -2.153 16.808 -4.220 651 H33 PNS 90 H33A PNS 44 -0.298 16.027 -3.560 652 H36 PNS 90 H36A PNS 44 0.229 16.972 -6.101 653 H372 PNS 90 H37A PNS 44 0.371 17.015 -8.586 654 H371 PNS 90 H37B PNS 44 -1.226 17.752 -8.543 655 H382 PNS 90 H38A PNS 44 0.354 19.486 -8.909 656 H381 PNS 90 H38B PNS 44 -0.245 19.651 -7.260 657 H41 PNS 90 H41A PNS 44 1.930 20.951 -7.901 658 H422 PNS 90 H42A PNS 44 3.924 20.004 -6.100 659 H421 PNS 90 H42B PNS 44 4.453 19.901 -7.777 660 H431 PNS 90 H43A PNS 44 5.195 21.986 -6.823 661 H432 PNS 90 H43B PNS 44 3.551 22.374 -6.320 662 H44 PNS 90 H1 PNS 44 4.258 23.996 -8.492 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 -26.708 -11.404 8.575 2 H2 ALA 1 HT2 ALA 1 -25.456 -10.967 9.634 3 H3 ALA 1 HT3 ALA 1 -25.359 -12.419 8.766 4 HA ALA 1 HA ALA 1 -25.168 -11.249 6.699 5 HB1 ALA 1 HB1 ALA 1 -25.329 -8.755 8.403 6 HB2 ALA 1 HB2 ALA 1 -26.568 -9.326 7.287 7 HB3 ALA 1 HB3 ALA 1 -25.001 -8.800 6.670 8 H MET 2 HN MET 2 -23.135 -9.761 6.160 9 HA MET 2 HA MET 2 -21.038 -10.189 8.142 10 HB2 MET 2 HB2 MET 2 -19.549 -11.219 6.445 11 HB3 MET 2 HB1 MET 2 -20.951 -12.217 6.809 12 HG2 MET 2 HG2 MET 2 -22.032 -11.470 4.758 13 HG3 MET 2 HG1 MET 2 -20.659 -10.422 4.404 14 HE1 MET 2 HE1 MET 2 -20.416 -13.295 1.709 15 HE2 MET 2 HE2 MET 2 -20.598 -11.560 1.969 16 HE3 MET 2 HE3 MET 2 -21.908 -12.656 2.401 17 H ALA 3 HN ALA 3 -19.191 -8.852 7.847 18 HA ALA 3 HA ALA 3 -19.315 -6.902 5.672 19 HB1 ALA 3 HB1 ALA 3 -18.770 -5.090 7.200 20 HB2 ALA 3 HB2 ALA 3 -18.830 -6.204 8.567 21 HB3 ALA 3 HB3 ALA 3 -20.296 -5.850 7.653 22 H LYS 4 HN LYS 4 -17.439 -6.544 4.759 23 HA LYS 4 HA LYS 4 -14.928 -7.104 6.088 24 HB2 LYS 4 HB2 LYS 4 -15.681 -9.278 5.107 25 HB3 LYS 4 HB1 LYS 4 -15.708 -8.516 3.527 26 HG2 LYS 4 HG2 LYS 4 -13.696 -9.775 3.713 27 HG3 LYS 4 HG1 LYS 4 -13.278 -8.062 3.763 28 HD2 LYS 4 HD2 LYS 4 -13.037 -8.155 6.170 29 HD3 LYS 4 HD1 LYS 4 -13.577 -9.834 6.191 30 HE2 LYS 4 HE2 LYS 4 -11.152 -9.709 6.390 31 HE3 LYS 4 HE1 LYS 4 -11.615 -10.482 4.874 32 HZ1 LYS 4 HZ1 LYS 4 -11.130 -8.485 3.687 33 HZ2 LYS 4 HZ2 LYS 4 -9.790 -8.840 4.661 34 HZ3 LYS 4 HZ3 LYS 4 -10.870 -7.615 5.122 35 H GLY 5 HN GLY 5 -13.231 -5.959 5.169 36 HA2 GLY 5 HA2 GLY 5 -13.968 -3.863 3.308 37 HA3 GLY 5 HA1 GLY 5 -12.414 -4.058 4.109 38 H VAL 6 HN VAL 6 -10.782 -5.166 3.097 39 HA VAL 6 HA VAL 6 -11.367 -6.045 0.357 40 HB VAL 6 HB VAL 6 -8.590 -5.407 1.291 41 HG11 VAL 6 HG11 VAL 6 -9.925 -5.261 -1.408 42 HG12 VAL 6 HG12 VAL 6 -8.849 -6.540 -0.848 43 HG13 VAL 6 HG13 VAL 6 -8.229 -4.906 -1.073 44 HG21 VAL 6 HG21 VAL 6 -9.890 -3.439 1.871 45 HG22 VAL 6 HG22 VAL 6 -10.593 -3.406 0.254 46 HG23 VAL 6 HG23 VAL 6 -8.868 -3.105 0.472 47 H GLY 7 HN GLY 7 -8.301 -7.045 1.065 48 HA2 GLY 7 HA2 GLY 7 -7.787 -9.123 2.343 49 HA3 GLY 7 HA1 GLY 7 -9.312 -9.741 1.718 50 H VAL 8 HN VAL 8 -5.994 -9.555 1.191 51 HA VAL 8 HA VAL 8 -6.327 -10.095 -1.676 52 HB VAL 8 HB VAL 8 -4.261 -9.071 -2.173 53 HG11 VAL 8 HG11 VAL 8 -5.587 -7.415 -0.041 54 HG12 VAL 8 HG12 VAL 8 -5.982 -7.441 -1.758 55 HG13 VAL 8 HG13 VAL 8 -4.422 -6.818 -1.220 56 HG21 VAL 8 HG21 VAL 8 -2.862 -10.021 -0.461 57 HG22 VAL 8 HG22 VAL 8 -3.669 -9.060 0.783 58 HG23 VAL 8 HG23 VAL 8 -2.681 -8.269 -0.444 59 H SER 9 HN SER 9 -4.812 -11.588 -2.650 60 HA SER 9 HA SER 9 -4.190 -13.810 -0.910 61 HB2 SER 9 HB2 SER 9 -3.714 -13.554 -3.886 62 HB3 SER 9 HB1 SER 9 -3.811 -15.037 -2.938 63 HG SER 9 HG SER 9 -5.751 -14.303 -4.185 64 H ASN 10 HN ASN 10 -1.969 -14.934 -1.566 65 HA ASN 10 HA ASN 10 0.046 -13.231 -0.534 66 HB2 ASN 10 HB2 ASN 10 0.054 -15.645 -0.136 67 HB3 ASN 10 HB1 ASN 10 0.289 -15.945 -1.854 68 HD21 ASN 10 HD21 ASN 10 1.758 -14.817 1.090 69 HD22 ASN 10 HD22 ASN 10 3.399 -14.873 0.537 70 H GLU 11 HN GLU 11 -0.815 -14.243 -3.769 71 HA GLU 11 HA GLU 11 1.499 -13.341 -5.102 72 HB2 GLU 11 HB2 GLU 11 -1.221 -13.199 -6.370 73 HB3 GLU 11 HB1 GLU 11 0.309 -13.662 -7.090 74 HG2 GLU 11 HG2 GLU 11 -0.789 -15.680 -6.991 75 HG3 GLU 11 HG1 GLU 11 0.147 -15.712 -5.496 76 H LYS 12 HN LYS 12 -1.468 -11.811 -4.112 77 HA LYS 12 HA LYS 12 -1.089 -9.332 -5.427 78 HB2 LYS 12 HB2 LYS 12 -2.714 -10.171 -3.029 79 HB3 LYS 12 HB1 LYS 12 -2.723 -8.522 -3.640 80 HG2 LYS 12 HG2 LYS 12 -3.392 -10.882 -5.387 81 HG3 LYS 12 HG1 LYS 12 -4.608 -10.065 -4.397 82 HD2 LYS 12 HD2 LYS 12 -4.156 -7.967 -5.537 83 HD3 LYS 12 HD1 LYS 12 -2.867 -8.731 -6.479 84 HE2 LYS 12 HE2 LYS 12 -5.746 -9.638 -6.544 85 HE3 LYS 12 HE1 LYS 12 -5.074 -8.460 -7.676 86 HZ1 LYS 12 HZ1 LYS 12 -3.472 -10.117 -8.395 87 HZ2 LYS 12 HZ2 LYS 12 -5.051 -10.699 -8.596 88 HZ3 LYS 12 HZ3 LYS 12 -4.103 -11.248 -7.300 89 H LEU 13 HN LEU 13 -0.074 -10.634 -2.347 90 HA LEU 13 HA LEU 13 0.981 -8.236 -1.266 91 HB2 LEU 13 HB2 LEU 13 0.485 -10.460 -0.095 92 HB3 LEU 13 HB1 LEU 13 2.037 -11.011 -0.690 93 HG LEU 13 HG LEU 13 3.061 -9.041 0.497 94 HD11 LEU 13 HD11 LEU 13 1.067 -7.676 0.694 95 HD12 LEU 13 HD12 LEU 13 1.729 -8.025 2.292 96 HD13 LEU 13 HD13 LEU 13 0.309 -8.898 1.714 97 HD21 LEU 13 HD21 LEU 13 1.593 -11.090 2.150 98 HD22 LEU 13 HD22 LEU 13 2.962 -10.122 2.696 99 HD23 LEU 13 HD23 LEU 13 3.176 -11.294 1.396 100 H ASP 14 HN ASP 14 2.191 -10.515 -3.608 101 HA ASP 14 HA ASP 14 4.900 -9.522 -3.482 102 HB2 ASP 14 HB2 ASP 14 3.663 -11.829 -4.497 103 HB3 ASP 14 HB1 ASP 14 4.228 -10.970 -5.919 104 H ALA 15 HN ALA 15 1.980 -8.869 -5.225 105 HA ALA 15 HA ALA 15 3.264 -7.522 -7.426 106 HB1 ALA 15 HB1 ALA 15 1.022 -7.091 -8.217 107 HB2 ALA 15 HB2 ALA 15 0.352 -7.552 -6.654 108 HB3 ALA 15 HB3 ALA 15 1.131 -8.766 -7.668 109 H VAL 16 HN VAL 16 1.919 -6.655 -4.344 110 HA VAL 16 HA VAL 16 1.649 -3.879 -4.912 111 HB VAL 16 HB VAL 16 0.334 -4.713 -3.123 112 HG11 VAL 16 HG11 VAL 16 1.744 -6.642 -2.541 113 HG12 VAL 16 HG12 VAL 16 1.245 -5.730 -1.116 114 HG13 VAL 16 HG13 VAL 16 2.883 -5.555 -1.748 115 HG21 VAL 16 HG21 VAL 16 1.003 -3.269 -1.253 116 HG22 VAL 16 HG22 VAL 16 1.146 -2.449 -2.807 117 HG23 VAL 16 HG23 VAL 16 2.589 -3.059 -1.995 118 H MET 17 HN MET 17 4.195 -5.821 -3.405 119 HA MET 17 HA MET 17 5.718 -3.643 -2.461 120 HB2 MET 17 HB2 MET 17 6.596 -6.462 -3.135 121 HB3 MET 17 HB1 MET 17 7.553 -5.295 -2.251 122 HG2 MET 17 HG2 MET 17 5.811 -5.214 -0.516 123 HG3 MET 17 HG1 MET 17 4.937 -6.466 -1.389 124 HE1 MET 17 HE1 MET 17 9.069 -7.079 0.580 125 HE2 MET 17 HE2 MET 17 8.190 -5.550 0.562 126 HE3 MET 17 HE3 MET 17 8.872 -6.195 -0.932 127 H ARG 18 HN ARG 18 5.461 -5.077 -5.624 128 HA ARG 18 HA ARG 18 7.948 -4.026 -6.570 129 HB2 ARG 18 HB2 ARG 18 7.357 -4.832 -8.714 130 HB3 ARG 18 HB1 ARG 18 6.826 -6.035 -7.549 131 HG2 ARG 18 HG2 ARG 18 4.546 -5.136 -7.710 132 HG3 ARG 18 HG1 ARG 18 5.102 -4.009 -8.951 133 HD2 ARG 18 HD2 ARG 18 5.806 -5.911 -10.333 134 HD3 ARG 18 HD1 ARG 18 5.213 -7.013 -9.094 135 HE ARG 18 HE ARG 18 3.378 -5.123 -10.404 136 HH11 ARG 18 HH11 ARG 18 4.300 -8.383 -9.544 137 HH12 ARG 18 HH12 ARG 18 2.863 -9.101 -10.218 138 HH21 ARG 18 HH21 ARG 18 1.472 -6.061 -11.305 139 HH22 ARG 18 HH22 ARG 18 1.289 -7.789 -11.232 140 H VAL 19 HN VAL 19 4.702 -2.876 -6.307 141 HA VAL 19 HA VAL 19 5.101 -0.646 -8.111 142 HB VAL 19 HB VAL 19 2.845 -1.363 -6.221 143 HG11 VAL 19 HG11 VAL 19 1.555 0.426 -7.261 144 HG12 VAL 19 HG12 VAL 19 2.964 0.899 -8.208 145 HG13 VAL 19 HG13 VAL 19 2.986 1.069 -6.455 146 HG21 VAL 19 HG21 VAL 19 3.018 -1.416 -9.237 147 HG22 VAL 19 HG22 VAL 19 1.618 -1.870 -8.271 148 HG23 VAL 19 HG23 VAL 19 3.097 -2.826 -8.179 149 H VAL 20 HN VAL 20 4.986 -1.313 -4.685 150 HA VAL 20 HA VAL 20 5.426 1.323 -3.757 151 HB VAL 20 HB VAL 20 5.933 -1.418 -2.551 152 HG11 VAL 20 HG11 VAL 20 6.425 1.221 -1.165 153 HG12 VAL 20 HG12 VAL 20 7.681 0.111 -1.711 154 HG13 VAL 20 HG13 VAL 20 6.554 -0.386 -0.448 155 HG21 VAL 20 HG21 VAL 20 3.611 -0.749 -2.615 156 HG22 VAL 20 HG22 VAL 20 4.001 0.815 -1.910 157 HG23 VAL 20 HG23 VAL 20 4.179 -0.652 -0.948 158 H SER 21 HN SER 21 7.514 -1.196 -5.008 159 HA SER 21 HA SER 21 9.988 -0.182 -4.177 160 HB2 SER 21 HB2 SER 21 9.630 -2.484 -5.128 161 HB3 SER 21 HB1 SER 21 9.430 -1.764 -6.719 162 HG SER 21 HG SER 21 11.736 -1.205 -5.203 163 H GLU 22 HN GLU 22 7.840 0.921 -6.704 164 HA GLU 22 HA GLU 22 9.961 2.322 -8.086 165 HB2 GLU 22 HB2 GLU 22 7.001 2.121 -8.581 166 HB3 GLU 22 HB1 GLU 22 8.056 3.159 -9.529 167 HG2 GLU 22 HG2 GLU 22 9.403 1.090 -10.051 168 HG3 GLU 22 HG1 GLU 22 8.074 0.165 -9.355 169 H GLU 23 HN GLU 23 6.997 3.123 -6.353 170 HA GLU 23 HA GLU 23 7.334 5.922 -6.730 171 HB2 GLU 23 HB2 GLU 23 5.450 4.391 -4.922 172 HB3 GLU 23 HB1 GLU 23 5.334 6.108 -5.249 173 HG2 GLU 23 HG2 GLU 23 5.085 3.903 -7.280 174 HG3 GLU 23 HG1 GLU 23 3.755 4.829 -6.589 175 H SER 24 HN SER 24 8.160 3.688 -4.170 176 HA SER 24 HA SER 24 8.837 5.873 -2.368 177 HB2 SER 24 HB2 SER 24 9.076 2.885 -1.976 178 HB3 SER 24 HB1 SER 24 9.268 4.125 -0.729 179 HG SER 24 HG SER 24 6.966 4.608 -1.862 180 H GLY 25 HN GLY 25 10.400 3.608 -4.524 181 HA2 GLY 25 HA2 GLY 25 12.529 4.070 -5.498 182 HA3 GLY 25 HA1 GLY 25 12.866 5.151 -4.154 183 H ILE 26 HN ILE 26 11.644 2.257 -2.972 184 HA ILE 26 HA ILE 26 14.351 1.408 -2.254 185 HB ILE 26 HB ILE 26 11.886 0.152 -1.108 186 HG12 ILE 26 HG12 ILE 26 13.147 2.651 0.045 187 HG13 ILE 26 HG11 ILE 26 11.691 2.684 -0.949 188 HG21 ILE 26 HG21 ILE 26 14.085 -0.813 -0.629 189 HG22 ILE 26 HG22 ILE 26 13.331 -0.172 0.831 190 HG23 ILE 26 HG23 ILE 26 14.616 0.733 0.032 191 HD11 ILE 26 HD11 ILE 26 12.039 1.269 1.691 192 HD12 ILE 26 HD12 ILE 26 10.571 1.254 0.715 193 HD13 ILE 26 HD13 ILE 26 11.151 2.768 1.418 194 H ALA 27 HN ALA 27 15.215 -0.427 -3.050 195 HA ALA 27 HA ALA 27 14.016 -1.879 -5.136 196 HB1 ALA 27 HB1 ALA 27 15.909 -3.421 -4.873 197 HB2 ALA 27 HB2 ALA 27 16.300 -2.675 -3.323 198 HB3 ALA 27 HB3 ALA 27 16.440 -1.740 -4.811 199 H LEU 28 HN LEU 28 13.091 -3.928 -5.195 200 HA LEU 28 HA LEU 28 11.236 -4.560 -3.234 201 HB2 LEU 28 HB2 LEU 28 11.097 -5.345 -5.528 202 HB3 LEU 28 HB1 LEU 28 12.543 -6.310 -5.323 203 HG LEU 28 HG LEU 28 11.231 -7.625 -3.570 204 HD11 LEU 28 HD11 LEU 28 9.395 -6.127 -3.183 205 HD12 LEU 28 HD12 LEU 28 8.770 -7.605 -3.917 206 HD13 LEU 28 HD13 LEU 28 8.963 -6.147 -4.891 207 HD21 LEU 28 HD21 LEU 28 10.172 -9.008 -5.282 208 HD22 LEU 28 HD22 LEU 28 11.788 -8.493 -5.771 209 HD23 LEU 28 HD23 LEU 28 10.366 -7.703 -6.453 210 H GLU 29 HN GLU 29 14.566 -5.577 -3.548 211 HA GLU 29 HA GLU 29 14.326 -7.668 -1.557 212 HB2 GLU 29 HB2 GLU 29 16.888 -6.540 -2.658 213 HB3 GLU 29 HB1 GLU 29 16.582 -8.156 -2.041 214 HG2 GLU 29 HG2 GLU 29 15.323 -8.746 -3.992 215 HG3 GLU 29 HG1 GLU 29 15.342 -7.076 -4.564 216 H GLU 30 HN GLU 30 14.637 -4.341 -1.432 217 HA GLU 30 HA GLU 30 16.014 -4.490 1.176 218 HB2 GLU 30 HB2 GLU 30 15.777 -2.065 -0.606 219 HB3 GLU 30 HB1 GLU 30 16.752 -2.223 0.849 220 HG2 GLU 30 HG2 GLU 30 18.113 -3.938 -0.353 221 HG3 GLU 30 HG1 GLU 30 17.201 -3.543 -1.811 222 H LEU 31 HN LEU 31 13.150 -4.130 -0.362 223 HA LEU 31 HA LEU 31 11.915 -2.113 1.230 224 HB2 LEU 31 HB2 LEU 31 11.244 -3.393 -1.080 225 HB3 LEU 31 HB1 LEU 31 10.248 -4.280 0.058 226 HG LEU 31 HG LEU 31 10.043 -1.478 -0.875 227 HD11 LEU 31 HD11 LEU 31 7.668 -1.995 -0.827 228 HD12 LEU 31 HD12 LEU 31 8.010 -3.543 -0.056 229 HD13 LEU 31 HD13 LEU 31 8.564 -3.238 -1.701 230 HD21 LEU 31 HD21 LEU 31 8.704 -0.841 1.087 231 HD22 LEU 31 HD22 LEU 31 10.407 -1.098 1.467 232 HD23 LEU 31 HD23 LEU 31 9.215 -2.328 1.888 233 H THR 32 HN THR 32 12.117 -2.504 3.356 234 HA THR 32 HA THR 32 11.266 -5.114 4.368 235 HB THR 32 HB THR 32 12.355 -4.424 6.487 236 HG1 THR 32 HG1 THR 32 13.716 -2.290 5.366 237 HG21 THR 32 HG21 THR 32 13.755 -5.676 4.957 238 HG22 THR 32 HG22 THR 32 14.727 -4.383 5.652 239 HG23 THR 32 HG23 THR 32 14.102 -4.226 4.009 240 H ASP 33 HN ASP 33 9.821 -5.162 6.238 241 HA ASP 33 HA ASP 33 7.610 -3.428 5.725 242 HB2 ASP 33 HB2 ASP 33 8.059 -5.718 7.603 243 HB3 ASP 33 HB1 ASP 33 6.611 -4.726 7.720 244 H ASP 34 HN ASP 34 10.293 -3.072 7.616 245 HA ASP 34 HA ASP 34 8.918 -1.821 9.865 246 HB2 ASP 34 HB2 ASP 34 11.864 -2.417 9.517 247 HB3 ASP 34 HB1 ASP 34 11.071 -1.897 11.006 248 H SER 35 HN SER 35 10.384 -0.871 6.950 249 HA SER 35 HA SER 35 11.287 1.711 7.926 250 HB2 SER 35 HB2 SER 35 12.293 0.565 5.907 251 HB3 SER 35 HB1 SER 35 10.808 0.937 5.036 252 HG SER 35 HG SER 35 11.992 2.676 4.608 253 H ASN 36 HN ASN 36 10.412 3.716 7.091 254 HA ASN 36 HA ASN 36 7.480 3.572 7.418 255 HB2 ASN 36 HB2 ASN 36 8.849 4.378 9.402 256 HB3 ASN 36 HB1 ASN 36 9.309 5.756 8.424 257 HD21 ASN 36 HD21 ASN 36 6.724 4.332 10.288 258 HD22 ASN 36 HD22 ASN 36 5.668 5.689 10.182 259 H PHE 37 HN PHE 37 6.315 4.525 5.872 260 HA PHE 37 HA PHE 37 7.405 5.630 3.554 261 HB2 PHE 37 HB2 PHE 37 4.661 5.686 4.765 262 HB3 PHE 37 HB1 PHE 37 4.999 6.639 3.324 263 HD1 PHE 37 HD1 PHE 37 6.563 5.118 1.631 264 HD2 PHE 37 HD2 PHE 37 3.533 3.733 4.271 265 HE1 PHE 37 HE1 PHE 37 6.232 3.165 0.204 266 HE2 PHE 37 HE2 PHE 37 3.194 1.751 2.843 267 HZ PHE 37 HZ PHE 37 4.548 1.467 0.808 268 H ALA 38 HN ALA 38 5.912 7.305 6.323 269 HA ALA 38 HA ALA 38 6.302 9.907 5.267 270 HB1 ALA 38 HB1 ALA 38 5.854 8.993 8.097 271 HB2 ALA 38 HB2 ALA 38 4.619 9.469 6.930 272 HB3 ALA 38 HB3 ALA 38 5.766 10.665 7.539 273 H ASP 39 HN ASP 39 8.303 7.769 7.187 274 HA ASP 39 HA ASP 39 10.176 9.720 8.061 275 HB2 ASP 39 HB2 ASP 39 9.968 7.476 9.100 276 HB3 ASP 39 HB1 ASP 39 10.612 6.755 7.628 277 H MET 40 HN MET 40 9.775 7.920 5.122 278 HA MET 40 HA MET 40 12.470 8.584 4.222 279 HB2 MET 40 HB2 MET 40 10.283 7.005 2.866 280 HB3 MET 40 HB1 MET 40 11.898 7.252 2.217 281 HG2 MET 40 HG2 MET 40 12.778 6.162 4.317 282 HG3 MET 40 HG1 MET 40 11.113 5.709 4.669 283 HE1 MET 40 HE1 MET 40 13.524 4.258 1.017 284 HE2 MET 40 HE2 MET 40 14.161 5.313 2.281 285 HE3 MET 40 HE3 MET 40 12.928 5.909 1.170 286 H GLY 41 HN GLY 41 9.435 9.987 4.163 287 HA2 GLY 41 HA2 GLY 41 9.163 12.228 3.346 288 HA3 GLY 41 HA1 GLY 41 10.422 11.915 2.163 289 H ILE 42 HN ILE 42 7.890 9.587 2.603 290 HA ILE 42 HA ILE 42 6.967 9.882 -0.073 291 HB ILE 42 HB ILE 42 5.830 8.333 2.268 292 HG12 ILE 42 HG12 ILE 42 8.052 7.654 1.378 293 HG13 ILE 42 HG11 ILE 42 6.816 6.414 1.200 294 HG21 ILE 42 HG21 ILE 42 4.933 8.401 -0.606 295 HG22 ILE 42 HG22 ILE 42 3.981 8.760 0.840 296 HG23 ILE 42 HG23 ILE 42 4.515 7.110 0.521 297 HD11 ILE 42 HD11 ILE 42 7.804 8.262 -0.964 298 HD12 ILE 42 HD12 ILE 42 6.558 7.026 -1.154 299 HD13 ILE 42 HD13 ILE 42 8.215 6.557 -0.773 300 H ASP 43 HN ASP 43 5.919 11.680 -0.649 301 HA ASP 43 HA ASP 43 4.224 13.143 1.180 302 HB2 ASP 43 HB2 ASP 43 4.738 13.493 -1.783 303 HB3 ASP 43 HB1 ASP 43 3.702 14.552 -0.839 304 H SER 44 HN SER 44 2.072 13.906 0.188 305 HA SER 44 HA SER 44 0.225 11.812 0.187 306 HB2 SER 44 HB2 SER 44 -1.317 13.662 -0.697 307 HB3 SER 44 HB1 SER 44 -0.466 14.008 0.819 308 H LEU 45 HN LEU 45 1.687 13.637 -2.443 309 HA LEU 45 HA LEU 45 0.092 12.723 -4.548 310 HB2 LEU 45 HB2 LEU 45 1.809 14.636 -4.512 311 HB3 LEU 45 HB1 LEU 45 3.033 13.407 -4.778 312 HG LEU 45 HG LEU 45 2.284 14.698 -6.808 313 HD11 LEU 45 HD11 LEU 45 1.992 11.705 -6.869 314 HD12 LEU 45 HD12 LEU 45 3.488 12.621 -7.038 315 HD13 LEU 45 HD13 LEU 45 2.238 12.737 -8.278 316 HD21 LEU 45 HD21 LEU 45 -0.208 13.037 -6.464 317 HD22 LEU 45 HD22 LEU 45 0.195 14.003 -7.883 318 HD23 LEU 45 HD23 LEU 45 -0.093 14.790 -6.332 319 H SER 46 HN SER 46 3.343 11.560 -3.603 320 HA SER 46 HA SER 46 3.431 9.439 -5.423 321 HB2 SER 46 HB2 SER 46 4.822 9.482 -2.742 322 HB3 SER 46 HB1 SER 46 5.364 8.712 -4.237 323 HG SER 46 HG SER 46 5.812 10.687 -5.096 324 H SER 47 HN SER 47 2.411 9.501 -2.031 325 HA SER 47 HA SER 47 2.028 6.714 -1.808 326 HB2 SER 47 HB2 SER 47 0.688 7.324 0.220 327 HB3 SER 47 HB1 SER 47 2.306 8.030 0.174 328 HG SER 47 HG SER 47 1.480 9.976 -0.132 329 H MET 48 HN MET 48 -0.036 9.308 -2.913 330 HA MET 48 HA MET 48 -2.440 7.770 -2.939 331 HB2 MET 48 HB2 MET 48 -2.314 10.290 -2.923 332 HB3 MET 48 HB1 MET 48 -1.712 10.236 -4.560 333 HG2 MET 48 HG2 MET 48 -4.477 9.295 -3.746 334 HG3 MET 48 HG1 MET 48 -4.090 10.888 -4.367 335 HE1 MET 48 HE1 MET 48 -6.066 10.413 -6.109 336 HE2 MET 48 HE2 MET 48 -6.262 8.747 -5.569 337 HE3 MET 48 HE3 MET 48 -6.040 9.097 -7.283 338 H VAL 49 HN VAL 49 0.097 8.545 -5.227 339 HA VAL 49 HA VAL 49 -1.021 7.423 -7.539 340 HB VAL 49 HB VAL 49 1.832 7.891 -6.652 341 HG11 VAL 49 HG11 VAL 49 0.942 6.809 -9.328 342 HG12 VAL 49 HG12 VAL 49 1.855 5.929 -8.103 343 HG13 VAL 49 HG13 VAL 49 2.577 7.320 -8.909 344 HG21 VAL 49 HG21 VAL 49 0.169 9.154 -8.843 345 HG22 VAL 49 HG22 VAL 49 1.801 9.623 -8.367 346 HG23 VAL 49 HG23 VAL 49 0.457 9.853 -7.248 347 H ILE 50 HN ILE 50 1.071 6.016 -5.029 348 HA ILE 50 HA ILE 50 1.381 3.474 -6.027 349 HB ILE 50 HB ILE 50 0.891 4.090 -3.115 350 HG12 ILE 50 HG12 ILE 50 3.471 4.212 -4.700 351 HG13 ILE 50 HG11 ILE 50 2.591 5.601 -4.072 352 HG21 ILE 50 HG21 ILE 50 0.905 1.716 -3.736 353 HG22 ILE 50 HG22 ILE 50 2.272 2.139 -2.708 354 HG23 ILE 50 HG23 ILE 50 2.507 1.917 -4.442 355 HD11 ILE 50 HD11 ILE 50 2.986 4.788 -1.793 356 HD12 ILE 50 HD12 ILE 50 4.484 5.096 -2.674 357 HD13 ILE 50 HD13 ILE 50 3.912 3.442 -2.452 358 H GLY 51 HN GLY 51 -1.196 4.532 -3.785 359 HA2 GLY 51 HA2 GLY 51 -2.653 2.118 -3.861 360 HA3 GLY 51 HA1 GLY 51 -3.297 3.679 -3.374 361 H SER 52 HN SER 52 -2.705 4.922 -5.957 362 HA SER 52 HA SER 52 -5.058 4.237 -7.378 363 HB2 SER 52 HB2 SER 52 -3.296 6.372 -7.406 364 HB3 SER 52 HB1 SER 52 -3.040 5.622 -8.983 365 HG SER 52 HG SER 52 -4.743 7.224 -8.918 366 H ARG 53 HN ARG 53 -1.613 3.524 -7.920 367 HA ARG 53 HA ARG 53 -1.924 2.146 -10.361 368 HB2 ARG 53 HB2 ARG 53 0.199 1.704 -8.260 369 HB3 ARG 53 HB1 ARG 53 0.276 1.189 -9.941 370 HG2 ARG 53 HG2 ARG 53 -0.049 3.705 -10.458 371 HG3 ARG 53 HG1 ARG 53 0.484 3.930 -8.791 372 HD2 ARG 53 HD2 ARG 53 2.561 3.881 -9.641 373 HD3 ARG 53 HD1 ARG 53 2.306 2.135 -9.727 374 HE ARG 53 HE ARG 53 1.392 3.594 -12.051 375 HH11 ARG 53 HH11 ARG 53 4.019 1.847 -10.540 376 HH12 ARG 53 HH12 ARG 53 4.895 1.596 -12.015 377 HH21 ARG 53 HH21 ARG 53 2.553 3.295 -14.015 378 HH22 ARG 53 HH22 ARG 53 4.060 2.422 -13.998 379 H PHE 54 HN PHE 54 -2.397 1.190 -7.042 380 HA PHE 54 HA PHE 54 -2.501 -1.602 -7.276 381 HB2 PHE 54 HB2 PHE 54 -4.159 0.315 -5.618 382 HB3 PHE 54 HB1 PHE 54 -4.295 -1.428 -5.486 383 HD1 PHE 54 HD1 PHE 54 -1.027 -0.991 -6.194 384 HD2 PHE 54 HD2 PHE 54 -3.779 -0.243 -3.045 385 HE1 PHE 54 HE1 PHE 54 0.829 -0.997 -4.574 386 HE2 PHE 54 HE2 PHE 54 -1.935 -0.261 -1.418 387 HZ PHE 54 HZ PHE 54 0.278 -0.632 -2.079 388 H ARG 55 HN ARG 55 -4.867 0.887 -8.038 389 HA ARG 55 HA ARG 55 -6.935 -1.012 -8.680 390 HB2 ARG 55 HB2 ARG 55 -6.880 1.937 -9.320 391 HB3 ARG 55 HB1 ARG 55 -8.291 0.903 -9.145 392 HG2 ARG 55 HG2 ARG 55 -7.332 0.583 -6.705 393 HG3 ARG 55 HG1 ARG 55 -6.562 2.129 -7.061 394 HD2 ARG 55 HD2 ARG 55 -9.515 1.607 -7.352 395 HD3 ARG 55 HD1 ARG 55 -8.777 2.326 -5.925 396 HE ARG 55 HE ARG 55 -7.921 3.938 -7.897 397 HH11 ARG 55 HH11 ARG 55 -11.129 2.716 -7.099 398 HH12 ARG 55 HH12 ARG 55 -11.934 4.145 -7.676 399 HH21 ARG 55 HH21 ARG 55 -8.996 5.801 -8.651 400 HH22 ARG 55 HH22 ARG 55 -10.729 5.911 -8.543 401 H GLU 56 HN GLU 56 -4.412 0.659 -10.322 402 HA GLU 56 HA GLU 56 -5.462 0.428 -12.966 403 HB2 GLU 56 HB2 GLU 56 -2.638 0.903 -12.001 404 HB3 GLU 56 HB1 GLU 56 -3.170 1.063 -13.668 405 HG2 GLU 56 HG2 GLU 56 -4.256 2.683 -11.377 406 HG3 GLU 56 HG1 GLU 56 -2.962 3.210 -12.456 407 H ASP 57 HN ASP 57 -2.696 -1.216 -11.419 408 HA ASP 57 HA ASP 57 -2.678 -3.142 -13.608 409 HB2 ASP 57 HB2 ASP 57 -0.544 -2.176 -12.919 410 HB3 ASP 57 HB1 ASP 57 -0.770 -2.781 -11.283 411 H LEU 58 HN LEU 58 -3.171 -3.099 -10.118 412 HA LEU 58 HA LEU 58 -3.355 -5.999 -10.053 413 HB2 LEU 58 HB2 LEU 58 -3.309 -3.873 -7.927 414 HB3 LEU 58 HB1 LEU 58 -3.773 -5.520 -7.547 415 HG LEU 58 HG LEU 58 -1.568 -6.326 -8.248 416 HD11 LEU 58 HD11 LEU 58 0.217 -4.762 -8.797 417 HD12 LEU 58 HD12 LEU 58 -0.931 -3.425 -8.745 418 HD13 LEU 58 HD13 LEU 58 -1.090 -4.677 -9.977 419 HD21 LEU 58 HD21 LEU 58 -1.399 -3.996 -6.345 420 HD22 LEU 58 HD22 LEU 58 -0.260 -5.336 -6.459 421 HD23 LEU 58 HD23 LEU 58 -1.914 -5.632 -5.926 422 H GLY 59 HN GLY 59 -5.447 -3.267 -10.125 423 HA2 GLY 59 HA2 GLY 59 -7.740 -3.182 -10.369 424 HA3 GLY 59 HA1 GLY 59 -7.780 -4.935 -10.284 425 H LEU 60 HN LEU 60 -6.273 -3.010 -7.792 426 HA LEU 60 HA LEU 60 -8.115 -4.124 -5.843 427 HB2 LEU 60 HB2 LEU 60 -5.761 -2.299 -5.420 428 HB3 LEU 60 HB1 LEU 60 -6.622 -3.186 -4.180 429 HG LEU 60 HG LEU 60 -5.048 -4.482 -6.402 430 HD11 LEU 60 HD11 LEU 60 -3.410 -4.976 -4.610 431 HD12 LEU 60 HD12 LEU 60 -4.319 -3.915 -3.530 432 HD13 LEU 60 HD13 LEU 60 -3.547 -3.258 -4.972 433 HD21 LEU 60 HD21 LEU 60 -6.217 -5.612 -3.862 434 HD22 LEU 60 HD22 LEU 60 -5.348 -6.501 -5.115 435 HD23 LEU 60 HD23 LEU 60 -6.923 -5.792 -5.468 436 H ASP 61 HN ASP 61 -10.051 -2.998 -6.022 437 HA ASP 61 HA ASP 61 -9.964 -0.103 -6.079 438 HB2 ASP 61 HB2 ASP 61 -11.643 -1.387 -7.463 439 HB3 ASP 61 HB1 ASP 61 -12.433 -1.845 -5.952 440 H LEU 62 HN LEU 62 -8.921 0.055 -4.092 441 HA LEU 62 HA LEU 62 -9.996 -0.874 -1.634 442 HB2 LEU 62 HB2 LEU 62 -8.085 1.381 -2.196 443 HB3 LEU 62 HB1 LEU 62 -8.284 0.564 -0.656 444 HG LEU 62 HG LEU 62 -7.403 -0.926 -3.111 445 HD11 LEU 62 HD11 LEU 62 -5.106 -0.529 -2.453 446 HD12 LEU 62 HD12 LEU 62 -5.646 0.524 -1.145 447 HD13 LEU 62 HD13 LEU 62 -5.914 0.993 -2.823 448 HD21 LEU 62 HD21 LEU 62 -8.111 -2.244 -1.176 449 HD22 LEU 62 HD22 LEU 62 -6.972 -1.364 -0.156 450 HD23 LEU 62 HD23 LEU 62 -6.376 -2.400 -1.454 451 H GLY 63 HN GLY 63 -9.698 2.357 -3.033 452 HA2 GLY 63 HA2 GLY 63 -12.296 3.227 -2.450 453 HA3 GLY 63 HA1 GLY 63 -11.214 3.732 -1.158 454 HA PRO 64 HA PRO 64 -10.749 6.312 -5.141 455 HB2 PRO 64 HB2 PRO 64 -12.645 8.235 -4.922 456 HB3 PRO 64 HB1 PRO 64 -12.918 6.693 -5.751 457 HG2 PRO 64 HG2 PRO 64 -13.759 7.554 -3.028 458 HG3 PRO 64 HG1 PRO 64 -14.624 6.554 -4.204 459 HD2 PRO 64 HD2 PRO 64 -13.258 5.587 -2.016 460 HD3 PRO 64 HD1 PRO 64 -13.619 4.644 -3.474 461 H GLU 65 HN GLU 65 -10.968 6.868 -1.830 462 HA GLU 65 HA GLU 65 -9.460 9.390 -2.084 463 HB2 GLU 65 HB2 GLU 65 -11.228 8.559 0.230 464 HB3 GLU 65 HB1 GLU 65 -10.401 10.105 0.034 465 HG2 GLU 65 HG2 GLU 65 -11.764 10.616 -1.899 466 HG3 GLU 65 HG1 GLU 65 -12.583 9.061 -1.761 467 H PHE 66 HN PHE 66 -8.573 6.527 -1.953 468 HA PHE 66 HA PHE 66 -7.403 6.210 0.658 469 HB2 PHE 66 HB2 PHE 66 -8.149 4.246 -0.565 470 HB3 PHE 66 HB1 PHE 66 -7.072 4.632 -1.900 471 HD1 PHE 66 HD2 PHE 66 -7.187 3.553 1.621 472 HD2 PHE 66 HD1 PHE 66 -4.812 3.952 -1.881 473 HE1 PHE 66 HE2 PHE 66 -5.432 2.187 2.660 474 HE2 PHE 66 HE1 PHE 66 -3.054 2.588 -0.849 475 HZ PHE 66 HZ PHE 66 -3.359 1.671 1.390 476 H SER 67 HN SER 67 -5.522 7.037 1.309 477 HA SER 67 HA SER 67 -3.375 7.371 -0.663 478 HB2 SER 67 HB2 SER 67 -4.423 9.599 -0.416 479 HB3 SER 67 HB1 SER 67 -4.165 9.529 1.329 480 HG SER 67 HG SER 67 -2.460 10.278 -0.611 481 H LEU 68 HN LEU 68 -1.553 6.446 0.078 482 HA LEU 68 HA LEU 68 -1.418 5.164 2.568 483 HB2 LEU 68 HB2 LEU 68 0.838 5.973 0.745 484 HB3 LEU 68 HB1 LEU 68 0.992 4.874 2.098 485 HG LEU 68 HG LEU 68 -0.646 4.415 -0.389 486 HD11 LEU 68 HD11 LEU 68 1.678 4.205 -0.860 487 HD12 LEU 68 HD12 LEU 68 1.016 2.574 -0.687 488 HD13 LEU 68 HD13 LEU 68 1.952 3.295 0.628 489 HD21 LEU 68 HD21 LEU 68 -1.008 2.179 0.530 490 HD22 LEU 68 HD22 LEU 68 -1.692 3.425 1.575 491 HD23 LEU 68 HD23 LEU 68 -0.166 2.652 2.007 492 H PHE 69 HN PHE 69 -0.688 8.411 1.668 493 HA PHE 69 HA PHE 69 1.089 9.012 3.804 494 HB2 PHE 69 HB2 PHE 69 0.918 10.284 1.662 495 HB3 PHE 69 HB1 PHE 69 -0.655 10.882 2.169 496 HD1 PHE 69 HD1 PHE 69 2.567 10.543 4.017 497 HD2 PHE 69 HD2 PHE 69 -0.462 13.113 2.507 498 HE1 PHE 69 HE1 PHE 69 3.665 12.461 5.099 499 HE2 PHE 69 HE2 PHE 69 0.621 15.044 3.589 500 HZ PHE 69 HZ PHE 69 2.690 14.716 4.889 501 H ILE 70 HN ILE 70 -2.248 8.450 3.650 502 HA ILE 70 HA ILE 70 -2.625 9.813 6.243 503 HB ILE 70 HB ILE 70 -4.704 9.524 4.040 504 HG12 ILE 70 HG12 ILE 70 -3.398 11.969 5.267 505 HG13 ILE 70 HG11 ILE 70 -3.114 11.349 3.646 506 HG21 ILE 70 HG21 ILE 70 -5.706 9.173 6.239 507 HG22 ILE 70 HG22 ILE 70 -6.239 10.692 5.520 508 HG23 ILE 70 HG23 ILE 70 -5.024 10.702 6.797 509 HD11 ILE 70 HD11 ILE 70 -5.448 11.806 3.067 510 HD12 ILE 70 HD12 ILE 70 -4.590 13.260 3.573 511 HD13 ILE 70 HD13 ILE 70 -5.712 12.467 4.681 512 H ASP 71 HN ASP 71 -3.419 7.022 4.222 513 HA ASP 71 HA ASP 71 -4.942 5.817 6.392 514 HB2 ASP 71 HB2 ASP 71 -4.543 4.943 3.517 515 HB3 ASP 71 HB1 ASP 71 -5.560 4.129 4.690 516 H CYS 72 HN CYS 72 -1.801 6.000 5.928 517 HA CYS 72 HA CYS 72 -1.212 3.433 7.052 518 HB2 CYS 72 HB2 CYS 72 -0.251 4.100 4.259 519 HB3 CYS 72 HB1 CYS 72 0.496 2.869 5.271 520 HG CYS 72 HG CYS 72 -2.747 2.334 5.108 521 H THR 73 HN THR 73 1.188 3.269 7.484 522 HA THR 73 HA THR 73 2.497 5.896 7.584 523 HB THR 73 HB THR 73 3.121 5.553 9.935 524 HG1 THR 73 HG1 THR 73 1.530 3.711 10.828 525 HG21 THR 73 HG21 THR 73 0.813 5.714 10.945 526 HG22 THR 73 HG22 THR 73 0.174 5.360 9.333 527 HG23 THR 73 HG23 THR 73 1.124 6.823 9.604 528 H THR 74 HN THR 74 3.202 2.629 8.860 529 HA THR 74 HA THR 74 5.825 2.681 7.639 530 HB THR 74 HB THR 74 6.141 0.478 8.678 531 HG1 THR 74 HG1 THR 74 4.289 -0.139 10.167 532 HG21 THR 74 HG21 THR 74 5.903 1.158 11.046 533 HG22 THR 74 HG22 THR 74 4.928 2.533 10.527 534 HG23 THR 74 HG23 THR 74 6.621 2.418 10.044 535 H VAL 75 HN VAL 75 6.280 0.154 6.697 536 HA VAL 75 HA VAL 75 4.730 0.253 4.275 537 HB VAL 75 HB VAL 75 7.223 -1.194 5.059 538 HG11 VAL 75 HG11 VAL 75 7.250 -2.369 2.945 539 HG12 VAL 75 HG12 VAL 75 5.673 -1.697 2.531 540 HG13 VAL 75 HG13 VAL 75 5.821 -2.830 3.872 541 HG21 VAL 75 HG21 VAL 75 6.474 0.648 2.789 542 HG22 VAL 75 HG22 VAL 75 8.084 -0.029 3.067 543 HG23 VAL 75 HG23 VAL 75 7.387 1.096 4.234 544 H ARG 76 HN ARG 76 5.359 -1.909 6.937 545 HA ARG 76 HA ARG 76 3.743 -4.065 6.213 546 HB2 ARG 76 HB2 ARG 76 5.361 -4.155 8.015 547 HB3 ARG 76 HB1 ARG 76 4.444 -2.964 8.930 548 HG2 ARG 76 HG2 ARG 76 2.609 -4.503 9.142 549 HG3 ARG 76 HG1 ARG 76 3.456 -5.703 8.162 550 HD2 ARG 76 HD2 ARG 76 4.192 -4.673 10.887 551 HD3 ARG 76 HD1 ARG 76 3.765 -6.321 10.434 552 HE ARG 76 HE ARG 76 5.897 -6.174 9.022 553 HH11 ARG 76 HH11 ARG 76 5.465 -4.724 12.179 554 HH12 ARG 76 HH12 ARG 76 7.172 -4.583 12.485 555 HH21 ARG 76 HH21 ARG 76 8.151 -5.998 9.439 556 HH22 ARG 76 HH22 ARG 76 8.702 -5.282 10.923 557 H ALA 77 HN ALA 77 2.945 -0.963 7.654 558 HA ALA 77 HA ALA 77 0.321 -1.450 8.460 559 HB1 ALA 77 HB1 ALA 77 1.499 0.642 8.928 560 HB2 ALA 77 HB2 ALA 77 -0.059 0.948 8.162 561 HB3 ALA 77 HB3 ALA 77 1.427 1.073 7.220 562 H LEU 78 HN LEU 78 1.675 -0.971 5.264 563 HA LEU 78 HA LEU 78 -0.804 -0.702 3.874 564 HB2 LEU 78 HB2 LEU 78 1.789 -0.361 3.229 565 HB3 LEU 78 HB1 LEU 78 1.533 -1.931 2.524 566 HG LEU 78 HG LEU 78 -0.150 0.475 1.870 567 HD11 LEU 78 HD11 LEU 78 2.391 -0.539 0.616 568 HD12 LEU 78 HD12 LEU 78 2.057 1.072 1.249 569 HD13 LEU 78 HD13 LEU 78 1.252 0.519 -0.220 570 HD21 LEU 78 HD21 LEU 78 0.278 -2.163 0.478 571 HD22 LEU 78 HD22 LEU 78 -0.634 -0.807 -0.172 572 HD23 LEU 78 HD23 LEU 78 -1.196 -1.624 1.289 573 H LYS 79 HN LYS 79 1.445 -3.341 4.469 574 HA LYS 79 HA LYS 79 0.212 -5.490 3.243 575 HB2 LYS 79 HB2 LYS 79 1.499 -5.744 5.959 576 HB3 LYS 79 HB1 LYS 79 1.498 -6.899 4.624 577 HG2 LYS 79 HG2 LYS 79 2.848 -4.213 4.399 578 HG3 LYS 79 HG1 LYS 79 3.702 -5.584 5.101 579 HD2 LYS 79 HD2 LYS 79 3.687 -6.745 3.077 580 HD3 LYS 79 HD1 LYS 79 2.367 -5.772 2.415 581 HE2 LYS 79 HE2 LYS 79 5.108 -4.706 3.063 582 HE3 LYS 79 HE1 LYS 79 4.610 -5.232 1.447 583 HZ1 LYS 79 HZ1 LYS 79 4.369 -2.876 1.620 584 HZ2 LYS 79 HZ2 LYS 79 3.476 -3.005 3.051 585 HZ3 LYS 79 HZ3 LYS 79 2.816 -3.552 1.589 586 H ASP 80 HN ASP 80 -0.146 -4.493 6.624 587 HA ASP 80 HA ASP 80 -2.151 -6.198 7.444 588 HB2 ASP 80 HB2 ASP 80 -1.037 -4.787 9.029 589 HB3 ASP 80 HB1 ASP 80 -1.581 -3.330 8.207 590 H PHE 81 HN PHE 81 -2.542 -3.041 5.922 591 HA PHE 81 HA PHE 81 -5.333 -2.890 6.121 592 HB2 PHE 81 HB2 PHE 81 -3.856 -0.956 5.633 593 HB3 PHE 81 HB1 PHE 81 -3.556 -1.615 4.024 594 HD1 PHE 81 HD1 PHE 81 -6.100 -0.134 6.229 595 HD2 PHE 81 HD2 PHE 81 -5.144 -1.367 2.274 596 HE1 PHE 81 HE1 PHE 81 -8.099 1.025 5.393 597 HE2 PHE 81 HE2 PHE 81 -7.148 -0.211 1.425 598 HZ PHE 81 HZ PHE 81 -8.631 0.984 2.988 599 H MET 82 HN MET 82 -3.264 -4.368 3.700 600 HA MET 82 HA MET 82 -5.158 -4.458 1.609 601 HB2 MET 82 HB2 MET 82 -2.849 -6.345 2.017 602 HB3 MET 82 HB1 MET 82 -3.669 -5.992 0.503 603 HG2 MET 82 HG2 MET 82 -2.907 -3.638 0.691 604 HG3 MET 82 HG1 MET 82 -1.975 -4.101 2.117 605 HE1 MET 82 HE1 MET 82 -1.844 -3.504 -1.574 606 HE2 MET 82 HE2 MET 82 -2.629 -5.084 -1.621 607 HE3 MET 82 HE3 MET 82 -0.998 -4.895 -2.264 608 H LEU 83 HN LEU 83 -4.257 -6.892 4.035 609 HA LEU 83 HA LEU 83 -6.288 -8.678 2.998 610 HB2 LEU 83 HB2 LEU 83 -4.380 -9.003 5.324 611 HB3 LEU 83 HB1 LEU 83 -5.496 -10.236 4.786 612 HG LEU 83 HG LEU 83 -4.252 -10.110 2.525 613 HD11 LEU 83 HD11 LEU 83 -2.220 -8.769 4.295 614 HD12 LEU 83 HD12 LEU 83 -3.056 -8.040 2.924 615 HD13 LEU 83 HD13 LEU 83 -1.929 -9.372 2.664 616 HD21 LEU 83 HD21 LEU 83 -2.522 -11.666 3.274 617 HD22 LEU 83 HD22 LEU 83 -4.061 -12.023 4.060 618 HD23 LEU 83 HD23 LEU 83 -2.794 -11.177 4.948 619 H GLY 84 HN GLY 84 -5.714 -6.684 5.840 620 HA2 GLY 84 HA2 GLY 84 -8.030 -5.791 6.565 621 HA3 GLY 84 HA1 GLY 84 -8.335 -7.490 6.898 622 H SER 85 HN SER 85 -7.785 -4.788 8.421 623 HA SER 85 HA SER 85 -5.550 -5.340 10.116 624 HB2 SER 85 HB2 SER 85 -7.818 -3.396 10.574 625 HB3 SER 85 HB1 SER 85 -6.177 -3.300 11.213 626 HG SER 85 HG SER 85 -5.417 -3.005 9.087 627 H GLY 86 HN GLY 86 -7.181 -7.578 10.233 628 HA2 GLY 86 HA2 GLY 86 -8.353 -7.385 12.941 629 HA3 GLY 86 HA1 GLY 86 -9.073 -8.363 11.671 630 H ASP 87 HN ASP 87 -5.626 -8.112 12.227 631 HA ASP 87 HA ASP 87 -5.615 -10.948 13.025 632 HB2 ASP 87 HB2 ASP 87 -4.402 -10.204 10.883 633 HB3 ASP 87 HB1 ASP 87 -3.250 -9.409 11.952 634 H ALA 88 HN ALA 88 -5.581 -11.012 15.192 635 HA ALA 88 HA ALA 88 -4.751 -10.945 17.286 636 HB1 ALA 88 HB1 ALA 88 -2.533 -10.135 17.764 637 HB2 ALA 88 HB2 ALA 88 -2.449 -9.331 16.196 638 HB3 ALA 88 HB3 ALA 88 -2.505 -11.092 16.283 639 H GLY 89 HN GLY 89 -4.919 -9.652 19.061 640 HA2 GLY 89 HA2 GLY 89 -5.287 -6.775 18.623 641 HA3 GLY 89 HA1 GLY 89 -6.575 -7.680 19.408 642 H282 PNS 90 H28A PNS 44 -1.419 15.520 -3.768 643 H281 PNS 90 H28B PNS 44 -1.368 13.990 -2.882 644 H303 PNS 90 H30A PNS 44 -4.194 13.657 -5.222 645 H302 PNS 90 H30B PNS 44 -2.630 12.996 -4.740 646 H301 PNS 90 H30C PNS 44 -2.715 14.559 -5.551 647 H313 PNS 90 H31A PNS 44 -5.005 13.427 -2.829 648 H312 PNS 90 H31B PNS 44 -4.060 14.159 -1.533 649 H311 PNS 90 H31C PNS 44 -3.434 12.755 -2.396 650 H32 PNS 90 H32A PNS 44 -4.279 16.325 -2.648 651 H33 PNS 90 H33A PNS 44 -3.768 17.752 -4.292 652 H36 PNS 90 H36A PNS 44 -5.390 17.514 -5.101 653 H372 PNS 90 H37A PNS 44 -7.200 16.006 -6.534 654 H371 PNS 90 H37B PNS 44 -8.011 16.414 -5.022 655 H382 PNS 90 H38A PNS 44 -8.581 18.047 -6.696 656 H381 PNS 90 H38B PNS 44 -7.583 18.802 -5.458 657 H41 PNS 90 H41A PNS 44 -5.724 16.805 -7.345 658 H422 PNS 90 H42A PNS 44 -5.184 17.970 -9.738 659 H421 PNS 90 H42B PNS 44 -4.288 18.952 -8.579 660 H431 PNS 90 H43A PNS 44 -3.075 17.014 -7.809 661 H432 PNS 90 H43B PNS 44 -2.920 17.145 -9.561 662 H44 PNS 90 H1 PNS 44 -4.783 15.134 -10.102 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 -19.375 1.040 11.714 2 H2 ALA 1 HT2 ALA 1 -18.920 2.509 11.002 3 H3 ALA 1 HT3 ALA 1 -18.822 2.317 12.683 4 HA ALA 1 HA ALA 1 -16.640 2.173 11.649 5 HB1 ALA 1 HB1 ALA 1 -17.132 0.926 13.720 6 HB2 ALA 1 HB2 ALA 1 -15.940 0.102 12.712 7 HB3 ALA 1 HB3 ALA 1 -17.609 -0.467 12.749 8 H MET 2 HN MET 2 -15.234 0.190 10.694 9 HA MET 2 HA MET 2 -16.566 -0.486 8.157 10 HB2 MET 2 HB2 MET 2 -14.337 -0.693 7.180 11 HB3 MET 2 HB1 MET 2 -14.542 0.890 7.914 12 HG2 MET 2 HG2 MET 2 -13.282 0.081 9.891 13 HG3 MET 2 HG1 MET 2 -13.006 -1.443 9.049 14 HE1 MET 2 HE1 MET 2 -12.594 -0.489 6.081 15 HE2 MET 2 HE2 MET 2 -11.504 -1.657 6.828 16 HE3 MET 2 HE3 MET 2 -10.848 -0.256 5.981 17 H ALA 3 HN ALA 3 -16.289 -2.623 7.292 18 HA ALA 3 HA ALA 3 -15.201 -4.659 9.027 19 HB1 ALA 3 HB1 ALA 3 -18.138 -4.629 8.347 20 HB2 ALA 3 HB2 ALA 3 -17.434 -4.374 9.945 21 HB3 ALA 3 HB3 ALA 3 -17.272 -5.940 9.151 22 H LYS 4 HN LYS 4 -14.455 -6.306 7.927 23 HA LYS 4 HA LYS 4 -13.917 -7.737 6.246 24 HB2 LYS 4 HB2 LYS 4 -16.404 -8.025 6.043 25 HB3 LYS 4 HB1 LYS 4 -16.402 -6.755 4.830 26 HG2 LYS 4 HG2 LYS 4 -14.961 -8.111 3.408 27 HG3 LYS 4 HG1 LYS 4 -14.962 -9.393 4.622 28 HD2 LYS 4 HD2 LYS 4 -16.556 -9.952 2.922 29 HD3 LYS 4 HD1 LYS 4 -17.441 -9.511 4.381 30 HE2 LYS 4 HE2 LYS 4 -17.821 -7.272 3.471 31 HE3 LYS 4 HE1 LYS 4 -16.942 -7.718 2.011 32 HZ1 LYS 4 HZ1 LYS 4 -18.612 -9.490 1.667 33 HZ2 LYS 4 HZ2 LYS 4 -19.268 -7.925 1.591 34 HZ3 LYS 4 HZ3 LYS 4 -19.494 -8.874 2.978 35 H GLY 5 HN GLY 5 -13.069 -7.766 4.024 36 HA2 GLY 5 HA2 GLY 5 -12.868 -5.195 2.685 37 HA3 GLY 5 HA1 GLY 5 -11.366 -5.879 3.293 38 H VAL 6 HN VAL 6 -10.461 -6.199 1.276 39 HA VAL 6 HA VAL 6 -11.828 -7.855 -0.671 40 HB VAL 6 HB VAL 6 -9.016 -6.761 -0.718 41 HG11 VAL 6 HG11 VAL 6 -10.681 -7.990 -2.904 42 HG12 VAL 6 HG12 VAL 6 -9.262 -8.706 -2.143 43 HG13 VAL 6 HG13 VAL 6 -9.094 -7.249 -3.123 44 HG21 VAL 6 HG21 VAL 6 -10.636 -4.959 -0.688 45 HG22 VAL 6 HG22 VAL 6 -11.540 -5.721 -1.997 46 HG23 VAL 6 HG23 VAL 6 -9.916 -5.094 -2.292 47 H GLY 7 HN GLY 7 -8.616 -8.056 0.858 48 HA2 GLY 7 HA2 GLY 7 -7.669 -9.945 1.906 49 HA3 GLY 7 HA1 GLY 7 -9.005 -10.920 1.298 50 H VAL 8 HN VAL 8 -5.786 -10.010 0.823 51 HA VAL 8 HA VAL 8 -5.872 -10.788 -2.006 52 HB VAL 8 HB VAL 8 -3.844 -9.619 -2.387 53 HG11 VAL 8 HG11 VAL 8 -5.772 -8.156 -2.223 54 HG12 VAL 8 HG12 VAL 8 -4.307 -7.344 -1.675 55 HG13 VAL 8 HG13 VAL 8 -5.477 -7.935 -0.499 56 HG21 VAL 8 HG21 VAL 8 -2.506 -8.590 -0.606 57 HG22 VAL 8 HG22 VAL 8 -2.580 -10.345 -0.469 58 HG23 VAL 8 HG23 VAL 8 -3.556 -9.335 0.600 59 H SER 9 HN SER 9 -4.226 -12.209 -2.819 60 HA SER 9 HA SER 9 -3.456 -14.271 -0.952 61 HB2 SER 9 HB2 SER 9 -2.939 -14.048 -3.932 62 HB3 SER 9 HB1 SER 9 -2.720 -15.493 -2.945 63 HG SER 9 HG SER 9 -4.833 -14.967 -4.231 64 H ASN 10 HN ASN 10 -1.114 -15.166 -1.350 65 HA ASN 10 HA ASN 10 0.732 -13.247 -0.421 66 HB2 ASN 10 HB2 ASN 10 0.815 -15.777 -0.130 67 HB3 ASN 10 HB1 ASN 10 1.389 -15.872 -1.787 68 HD21 ASN 10 HD21 ASN 10 2.658 -16.707 0.677 69 HD22 ASN 10 HD22 ASN 10 4.169 -15.858 0.765 70 H GLU 11 HN GLU 11 0.010 -14.588 -3.560 71 HA GLU 11 HA GLU 11 2.015 -13.422 -5.112 72 HB2 GLU 11 HB2 GLU 11 0.611 -15.102 -6.048 73 HB3 GLU 11 HB1 GLU 11 -0.846 -14.191 -5.690 74 HG2 GLU 11 HG2 GLU 11 -0.007 -12.466 -7.335 75 HG3 GLU 11 HG1 GLU 11 1.220 -13.650 -7.792 76 H LYS 12 HN LYS 12 -1.123 -12.149 -4.099 77 HA LYS 12 HA LYS 12 -0.911 -9.697 -5.523 78 HB2 LYS 12 HB2 LYS 12 -2.571 -10.528 -3.149 79 HB3 LYS 12 HB1 LYS 12 -2.688 -8.933 -3.885 80 HG2 LYS 12 HG2 LYS 12 -3.065 -11.462 -5.470 81 HG3 LYS 12 HG1 LYS 12 -4.397 -10.695 -4.607 82 HD2 LYS 12 HD2 LYS 12 -4.042 -8.635 -5.883 83 HD3 LYS 12 HD1 LYS 12 -2.694 -9.382 -6.740 84 HE2 LYS 12 HE2 LYS 12 -5.559 -10.335 -6.804 85 HE3 LYS 12 HE1 LYS 12 -4.773 -9.391 -8.064 86 HZ1 LYS 12 HZ1 LYS 12 -3.249 -11.206 -8.463 87 HZ2 LYS 12 HZ2 LYS 12 -4.843 -11.770 -8.574 88 HZ3 LYS 12 HZ3 LYS 12 -3.925 -12.102 -7.193 89 H LEU 13 HN LEU 13 0.129 -10.809 -2.389 90 HA LEU 13 HA LEU 13 0.937 -8.281 -1.371 91 HB2 LEU 13 HB2 LEU 13 0.622 -10.340 -0.002 92 HB3 LEU 13 HB1 LEU 13 2.071 -11.016 -0.711 93 HG LEU 13 HG LEU 13 3.396 -9.204 0.279 94 HD11 LEU 13 HD11 LEU 13 2.362 -7.724 1.950 95 HD12 LEU 13 HD12 LEU 13 0.777 -8.355 1.494 96 HD13 LEU 13 HD13 LEU 13 1.737 -7.451 0.322 97 HD21 LEU 13 HD21 LEU 13 3.175 -9.874 2.632 98 HD22 LEU 13 HD22 LEU 13 3.159 -11.256 1.536 99 HD23 LEU 13 HD23 LEU 13 1.651 -10.675 2.244 100 H ASP 14 HN ASP 14 2.369 -10.535 -3.603 101 HA ASP 14 HA ASP 14 4.976 -9.325 -3.480 102 HB2 ASP 14 HB2 ASP 14 3.966 -11.724 -4.490 103 HB3 ASP 14 HB1 ASP 14 4.425 -10.822 -5.927 104 H ALA 15 HN ALA 15 2.049 -8.912 -5.288 105 HA ALA 15 HA ALA 15 3.261 -7.393 -7.418 106 HB1 ALA 15 HB1 ALA 15 0.349 -7.785 -6.725 107 HB2 ALA 15 HB2 ALA 15 1.285 -8.773 -7.846 108 HB3 ALA 15 HB3 ALA 15 0.968 -7.072 -8.215 109 H VAL 16 HN VAL 16 1.765 -6.729 -4.355 110 HA VAL 16 HA VAL 16 1.315 -3.963 -4.896 111 HB VAL 16 HB VAL 16 -0.062 -4.957 -3.221 112 HG11 VAL 16 HG11 VAL 16 1.450 -6.738 -2.460 113 HG12 VAL 16 HG12 VAL 16 0.807 -5.819 -1.099 114 HG13 VAL 16 HG13 VAL 16 2.459 -5.539 -1.651 115 HG21 VAL 16 HG21 VAL 16 0.305 -3.412 -1.346 116 HG22 VAL 16 HG22 VAL 16 0.503 -2.610 -2.906 117 HG23 VAL 16 HG23 VAL 16 1.923 -3.064 -1.961 118 H MET 17 HN MET 17 3.796 -5.737 -3.105 119 HA MET 17 HA MET 17 5.104 -3.494 -2.063 120 HB2 MET 17 HB2 MET 17 6.258 -6.223 -2.698 121 HB3 MET 17 HB1 MET 17 7.030 -4.997 -1.717 122 HG2 MET 17 HG2 MET 17 5.093 -5.091 -0.170 123 HG3 MET 17 HG1 MET 17 4.491 -6.451 -1.110 124 HE1 MET 17 HE1 MET 17 7.247 -9.159 -0.535 125 HE2 MET 17 HE2 MET 17 7.115 -8.019 -1.876 126 HE3 MET 17 HE3 MET 17 5.671 -8.815 -1.248 127 H ARG 18 HN ARG 18 5.386 -5.022 -5.240 128 HA ARG 18 HA ARG 18 7.746 -3.608 -5.942 129 HB2 ARG 18 HB2 ARG 18 7.137 -4.150 -8.306 130 HB3 ARG 18 HB1 ARG 18 7.291 -5.536 -7.239 131 HG2 ARG 18 HG2 ARG 18 5.058 -5.975 -7.268 132 HG3 ARG 18 HG1 ARG 18 4.613 -4.318 -7.680 133 HD2 ARG 18 HD2 ARG 18 6.055 -6.208 -9.525 134 HD3 ARG 18 HD1 ARG 18 4.310 -5.940 -9.539 135 HE ARG 18 HE ARG 18 5.883 -3.534 -9.778 136 HH11 ARG 18 HH11 ARG 18 4.478 -6.185 -11.591 137 HH12 ARG 18 HH12 ARG 18 4.241 -5.227 -13.024 138 HH21 ARG 18 HH21 ARG 18 5.627 -2.308 -11.647 139 HH22 ARG 18 HH22 ARG 18 4.919 -3.034 -13.066 140 H VAL 19 HN VAL 19 4.293 -2.895 -6.224 141 HA VAL 19 HA VAL 19 4.590 -0.570 -7.825 142 HB VAL 19 HB VAL 19 2.406 -1.495 -5.943 143 HG11 VAL 19 HG11 VAL 19 2.503 1.039 -7.566 144 HG12 VAL 19 HG12 VAL 19 2.344 0.890 -5.820 145 HG13 VAL 19 HG13 VAL 19 1.031 0.358 -6.872 146 HG21 VAL 19 HG21 VAL 19 2.756 -2.663 -8.116 147 HG22 VAL 19 HG22 VAL 19 2.434 -1.137 -8.944 148 HG23 VAL 19 HG23 VAL 19 1.178 -1.895 -7.971 149 H VAL 20 HN VAL 20 4.460 -1.161 -4.382 150 HA VAL 20 HA VAL 20 4.745 1.495 -3.504 151 HB VAL 20 HB VAL 20 5.319 -1.207 -2.287 152 HG11 VAL 20 HG11 VAL 20 5.893 1.429 -0.927 153 HG12 VAL 20 HG12 VAL 20 7.107 0.270 -1.465 154 HG13 VAL 20 HG13 VAL 20 5.973 -0.170 -0.186 155 HG21 VAL 20 HG21 VAL 20 3.645 -0.349 -0.621 156 HG22 VAL 20 HG22 VAL 20 3.029 -0.573 -2.258 157 HG23 VAL 20 HG23 VAL 20 3.415 1.046 -1.673 158 H SER 21 HN SER 21 7.119 -0.953 -4.427 159 HA SER 21 HA SER 21 9.347 0.508 -3.405 160 HB2 SER 21 HB2 SER 21 8.954 -2.087 -4.122 161 HB3 SER 21 HB1 SER 21 9.882 -1.501 -5.501 162 HG SER 21 HG SER 21 11.555 -1.036 -4.198 163 H GLU 22 HN GLU 22 7.530 0.525 -6.337 164 HA GLU 22 HA GLU 22 9.572 1.679 -7.975 165 HB2 GLU 22 HB2 GLU 22 6.628 1.189 -8.329 166 HB3 GLU 22 HB1 GLU 22 7.582 2.052 -9.540 167 HG2 GLU 22 HG2 GLU 22 9.033 0.108 -9.787 168 HG3 GLU 22 HG1 GLU 22 8.110 -0.746 -8.549 169 H GLU 23 HN GLU 23 6.721 2.874 -6.268 170 HA GLU 23 HA GLU 23 7.168 5.556 -7.269 171 HB2 GLU 23 HB2 GLU 23 5.114 4.550 -5.277 172 HB3 GLU 23 HB1 GLU 23 5.115 6.135 -6.019 173 HG2 GLU 23 HG2 GLU 23 4.754 3.507 -7.414 174 HG3 GLU 23 HG1 GLU 23 3.512 4.717 -7.136 175 H SER 24 HN SER 24 8.332 3.736 -4.695 176 HA SER 24 HA SER 24 8.812 6.099 -3.041 177 HB2 SER 24 HB2 SER 24 9.791 4.479 -1.425 178 HB3 SER 24 HB1 SER 24 8.105 4.149 -1.807 179 HG SER 24 HG SER 24 8.649 2.354 -2.778 180 H GLY 25 HN GLY 25 10.517 3.609 -4.876 181 HA2 GLY 25 HA2 GLY 25 12.529 4.054 -6.114 182 HA3 GLY 25 HA1 GLY 25 12.861 5.394 -5.019 183 H ILE 26 HN ILE 26 11.982 2.054 -4.217 184 HA ILE 26 HA ILE 26 14.625 1.725 -2.950 185 HB ILE 26 HB ILE 26 12.144 0.480 -1.800 186 HG12 ILE 26 HG12 ILE 26 13.242 3.132 -0.840 187 HG13 ILE 26 HG11 ILE 26 11.883 3.010 -1.954 188 HG21 ILE 26 HG21 ILE 26 13.477 0.493 0.275 189 HG22 ILE 26 HG22 ILE 26 14.804 1.258 -0.604 190 HG23 ILE 26 HG23 ILE 26 14.285 -0.372 -1.035 191 HD11 ILE 26 HD11 ILE 26 10.616 1.777 -0.265 192 HD12 ILE 26 HD12 ILE 26 11.156 3.339 0.354 193 HD13 ILE 26 HD13 ILE 26 11.994 1.864 0.835 194 H ALA 27 HN ALA 27 15.182 -0.533 -2.601 195 HA ALA 27 HA ALA 27 14.397 -2.272 -4.781 196 HB1 ALA 27 HB1 ALA 27 16.738 -2.201 -4.094 197 HB2 ALA 27 HB2 ALA 27 16.071 -3.815 -3.825 198 HB3 ALA 27 HB3 ALA 27 16.287 -2.710 -2.467 199 H LEU 28 HN LEU 28 13.268 -4.166 -4.607 200 HA LEU 28 HA LEU 28 11.156 -4.240 -2.752 201 HB2 LEU 28 HB2 LEU 28 10.908 -5.202 -4.930 202 HB3 LEU 28 HB1 LEU 28 12.277 -6.265 -4.685 203 HG LEU 28 HG LEU 28 10.903 -7.406 -2.872 204 HD11 LEU 28 HD11 LEU 28 8.455 -7.176 -3.117 205 HD12 LEU 28 HD12 LEU 28 8.724 -5.789 -4.172 206 HD13 LEU 28 HD13 LEU 28 9.236 -5.726 -2.484 207 HD21 LEU 28 HD21 LEU 28 9.918 -7.508 -5.718 208 HD22 LEU 28 HD22 LEU 28 9.667 -8.749 -4.491 209 HD23 LEU 28 HD23 LEU 28 11.297 -8.391 -5.061 210 H GLU 29 HN GLU 29 14.303 -5.781 -2.778 211 HA GLU 29 HA GLU 29 13.687 -7.707 -0.749 212 HB2 GLU 29 HB2 GLU 29 16.412 -6.773 -1.622 213 HB3 GLU 29 HB1 GLU 29 15.991 -8.294 -0.840 214 HG2 GLU 29 HG2 GLU 29 14.965 -7.473 -3.537 215 HG3 GLU 29 HG1 GLU 29 16.408 -8.464 -3.303 216 H GLU 30 HN GLU 30 14.257 -4.419 -0.690 217 HA GLU 30 HA GLU 30 15.412 -4.500 2.013 218 HB2 GLU 30 HB2 GLU 30 15.249 -2.124 0.155 219 HB3 GLU 30 HB1 GLU 30 16.108 -2.219 1.687 220 HG2 GLU 30 HG2 GLU 30 16.807 -3.571 -0.901 221 HG3 GLU 30 HG1 GLU 30 17.714 -2.334 -0.044 222 H LEU 31 HN LEU 31 12.537 -4.229 0.446 223 HA LEU 31 HA LEU 31 11.402 -2.193 2.157 224 HB2 LEU 31 HB2 LEU 31 10.685 -2.564 -0.220 225 HB3 LEU 31 HB1 LEU 31 9.990 -4.099 0.279 226 HG LEU 31 HG LEU 31 8.561 -2.791 1.907 227 HD11 LEU 31 HD11 LEU 31 9.937 -0.772 1.934 228 HD12 LEU 31 HD12 LEU 31 8.268 -0.422 1.479 229 HD13 LEU 31 HD13 LEU 31 9.528 -0.478 0.245 230 HD21 LEU 31 HD21 LEU 31 8.251 -2.309 -1.047 231 HD22 LEU 31 HD22 LEU 31 6.980 -2.069 0.150 232 HD23 LEU 31 HD23 LEU 31 7.632 -3.683 -0.136 233 H THR 32 HN THR 32 11.483 -2.919 4.234 234 HA THR 32 HA THR 32 10.003 -5.404 4.842 235 HB THR 32 HB THR 32 11.351 -5.692 6.798 236 HG1 THR 32 HG1 THR 32 12.345 -4.082 7.767 237 HG21 THR 32 HG21 THR 32 12.498 -6.393 4.764 238 HG22 THR 32 HG22 THR 32 13.653 -5.767 5.938 239 HG23 THR 32 HG23 THR 32 13.168 -4.772 4.562 240 H ASP 33 HN ASP 33 8.932 -5.254 7.102 241 HA ASP 33 HA ASP 33 7.281 -2.912 7.071 242 HB2 ASP 33 HB2 ASP 33 6.245 -3.960 9.132 243 HB3 ASP 33 HB1 ASP 33 6.155 -4.893 7.645 244 H ASP 34 HN ASP 34 10.287 -3.423 8.286 245 HA ASP 34 HA ASP 34 10.154 -1.903 10.701 246 HB2 ASP 34 HB2 ASP 34 12.538 -2.350 8.887 247 HB3 ASP 34 HB1 ASP 34 12.588 -1.808 10.564 248 H SER 35 HN SER 35 10.096 -1.138 7.385 249 HA SER 35 HA SER 35 11.357 1.458 7.592 250 HB2 SER 35 HB2 SER 35 9.736 0.290 5.319 251 HB3 SER 35 HB1 SER 35 10.851 1.653 5.226 252 HG SER 35 HG SER 35 12.199 -0.361 6.269 253 H ASN 36 HN ASN 36 10.333 3.412 7.002 254 HA ASN 36 HA ASN 36 7.480 3.564 7.745 255 HB2 ASN 36 HB2 ASN 36 9.087 4.309 9.592 256 HB3 ASN 36 HB1 ASN 36 9.615 5.568 8.497 257 HD21 ASN 36 HD21 ASN 36 6.817 4.472 10.411 258 HD22 ASN 36 HD22 ASN 36 6.027 5.997 10.381 259 H PHE 37 HN PHE 37 6.353 4.499 6.070 260 HA PHE 37 HA PHE 37 7.669 5.226 3.726 261 HB2 PHE 37 HB2 PHE 37 4.860 5.847 4.617 262 HB3 PHE 37 HB1 PHE 37 5.471 6.309 3.046 263 HD1 PHE 37 HD1 PHE 37 7.065 3.968 2.281 264 HD2 PHE 37 HD2 PHE 37 3.283 4.220 4.226 265 HE1 PHE 37 HE1 PHE 37 6.473 1.735 1.421 266 HE2 PHE 37 HE2 PHE 37 2.687 2.003 3.368 267 HZ PHE 37 HZ PHE 37 4.332 0.775 1.875 268 H ALA 38 HN ALA 38 6.473 7.233 6.381 269 HA ALA 38 HA ALA 38 6.821 9.726 5.079 270 HB1 ALA 38 HB1 ALA 38 6.601 10.720 7.279 271 HB2 ALA 38 HB2 ALA 38 6.843 9.146 8.036 272 HB3 ALA 38 HB3 ALA 38 5.400 9.446 7.064 273 H ASP 39 HN ASP 39 8.954 7.558 6.732 274 HA ASP 39 HA ASP 39 11.061 9.390 7.299 275 HB2 ASP 39 HB2 ASP 39 10.805 7.144 8.380 276 HB3 ASP 39 HB1 ASP 39 11.258 6.400 6.849 277 H MET 40 HN MET 40 10.115 7.549 4.514 278 HA MET 40 HA MET 40 12.572 8.063 3.065 279 HB2 MET 40 HB2 MET 40 9.972 6.738 2.303 280 HB3 MET 40 HB1 MET 40 11.176 7.144 1.096 281 HG2 MET 40 HG2 MET 40 11.427 4.849 1.686 282 HG3 MET 40 HG1 MET 40 12.817 5.745 2.286 283 HE1 MET 40 HE1 MET 40 13.467 3.655 3.797 284 HE2 MET 40 HE2 MET 40 12.058 2.774 3.203 285 HE3 MET 40 HE3 MET 40 12.358 2.892 4.937 286 H GLY 41 HN GLY 41 9.859 9.786 3.836 287 HA2 GLY 41 HA2 GLY 41 9.293 11.977 3.186 288 HA3 GLY 41 HA1 GLY 41 10.536 11.888 1.939 289 H ILE 42 HN ILE 42 8.010 9.475 2.266 290 HA ILE 42 HA ILE 42 7.109 9.869 -0.392 291 HB ILE 42 HB ILE 42 5.958 8.244 1.865 292 HG12 ILE 42 HG12 ILE 42 7.485 7.757 -0.659 293 HG13 ILE 42 HG11 ILE 42 7.759 7.141 0.958 294 HG21 ILE 42 HG21 ILE 42 4.038 9.059 0.647 295 HG22 ILE 42 HG22 ILE 42 4.302 7.357 0.275 296 HG23 ILE 42 HG23 ILE 42 4.773 8.594 -0.889 297 HD11 ILE 42 HD11 ILE 42 5.750 6.241 -1.082 298 HD12 ILE 42 HD12 ILE 42 5.641 5.759 0.603 299 HD13 ILE 42 HD13 ILE 42 7.053 5.300 -0.356 300 H ASP 43 HN ASP 43 6.121 11.661 -1.019 301 HA ASP 43 HA ASP 43 4.580 13.287 0.804 302 HB2 ASP 43 HB2 ASP 43 5.992 14.335 -0.920 303 HB3 ASP 43 HB1 ASP 43 5.034 13.574 -2.186 304 H SER 44 HN SER 44 2.392 14.072 0.175 305 HA SER 44 HA SER 44 0.476 12.100 0.083 306 HB2 SER 44 HB2 SER 44 0.001 14.359 0.799 307 HB3 SER 44 HB1 SER 44 0.298 14.976 -0.825 308 H LEU 45 HN LEU 45 1.856 13.967 -2.590 309 HA LEU 45 HA LEU 45 0.217 13.026 -4.657 310 HB2 LEU 45 HB2 LEU 45 1.903 14.934 -4.699 311 HB3 LEU 45 HB1 LEU 45 3.157 13.726 -4.876 312 HG LEU 45 HG LEU 45 2.419 14.924 -6.978 313 HD11 LEU 45 HD11 LEU 45 2.536 12.929 -8.376 314 HD12 LEU 45 HD12 LEU 45 2.239 11.919 -6.961 315 HD13 LEU 45 HD13 LEU 45 3.715 12.876 -7.065 316 HD21 LEU 45 HD21 LEU 45 0.026 14.915 -6.564 317 HD22 LEU 45 HD22 LEU 45 0.001 13.152 -6.636 318 HD23 LEU 45 HD23 LEU 45 0.396 14.091 -8.077 319 H SER 46 HN SER 46 3.437 11.839 -3.658 320 HA SER 46 HA SER 46 3.562 9.706 -5.478 321 HB2 SER 46 HB2 SER 46 4.893 9.687 -2.774 322 HB3 SER 46 HB1 SER 46 5.497 9.034 -4.297 323 HG SER 46 HG SER 46 6.285 10.930 -4.783 324 H SER 47 HN SER 47 2.410 9.810 -2.128 325 HA SER 47 HA SER 47 2.071 7.002 -1.908 326 HB2 SER 47 HB2 SER 47 0.753 7.559 0.127 327 HB3 SER 47 HB1 SER 47 2.328 8.349 0.080 328 HG SER 47 HG SER 47 1.374 10.260 -0.362 329 H MET 48 HN MET 48 0.014 9.603 -3.020 330 HA MET 48 HA MET 48 -2.421 8.106 -3.087 331 HB2 MET 48 HB2 MET 48 -2.182 10.630 -3.162 332 HB3 MET 48 HB1 MET 48 -1.697 10.454 -4.840 333 HG2 MET 48 HG2 MET 48 -4.060 11.026 -4.656 334 HG3 MET 48 HG1 MET 48 -3.837 9.431 -5.376 335 HE1 MET 48 HE1 MET 48 -6.380 8.866 -4.951 336 HE2 MET 48 HE2 MET 48 -6.630 10.453 -4.223 337 HE3 MET 48 HE3 MET 48 -7.168 9.003 -3.377 338 H VAL 49 HN VAL 49 0.235 8.658 -5.275 339 HA VAL 49 HA VAL 49 -0.937 7.621 -7.631 340 HB VAL 49 HB VAL 49 1.927 8.016 -6.726 341 HG11 VAL 49 HG11 VAL 49 2.621 7.528 -9.038 342 HG12 VAL 49 HG12 VAL 49 0.995 6.930 -9.377 343 HG13 VAL 49 HG13 VAL 49 2.008 6.115 -8.182 344 HG21 VAL 49 HG21 VAL 49 1.946 9.780 -8.388 345 HG22 VAL 49 HG22 VAL 49 0.588 10.015 -7.287 346 HG23 VAL 49 HG23 VAL 49 0.314 9.358 -8.903 347 H ILE 50 HN ILE 50 0.871 6.181 -4.981 348 HA ILE 50 HA ILE 50 1.216 3.623 -6.013 349 HB ILE 50 HB ILE 50 0.741 4.391 -3.132 350 HG12 ILE 50 HG12 ILE 50 3.350 4.050 -4.613 351 HG13 ILE 50 HG11 ILE 50 2.582 5.607 -4.343 352 HG21 ILE 50 HG21 ILE 50 1.987 2.351 -2.601 353 HG22 ILE 50 HG22 ILE 50 2.088 1.963 -4.318 354 HG23 ILE 50 HG23 ILE 50 0.521 1.985 -3.511 355 HD11 ILE 50 HD11 ILE 50 4.389 5.117 -2.756 356 HD12 ILE 50 HD12 ILE 50 3.466 3.733 -2.172 357 HD13 ILE 50 HD13 ILE 50 2.831 5.363 -1.968 358 H GLY 51 HN GLY 51 -1.411 4.869 -3.950 359 HA2 GLY 51 HA2 GLY 51 -2.995 2.536 -4.022 360 HA3 GLY 51 HA1 GLY 51 -3.574 4.148 -3.634 361 H SER 52 HN SER 52 -2.719 5.249 -6.220 362 HA SER 52 HA SER 52 -4.936 4.786 -7.828 363 HB2 SER 52 HB2 SER 52 -2.386 6.193 -7.993 364 HB3 SER 52 HB1 SER 52 -2.979 5.683 -9.559 365 HG SER 52 HG SER 52 -4.974 6.760 -9.000 366 H ARG 53 HN ARG 53 -1.609 3.522 -8.082 367 HA ARG 53 HA ARG 53 -2.088 1.963 -10.381 368 HB2 ARG 53 HB2 ARG 53 0.005 1.694 -8.234 369 HB3 ARG 53 HB1 ARG 53 -0.037 0.685 -9.670 370 HG2 ARG 53 HG2 ARG 53 -0.012 2.915 -10.952 371 HG3 ARG 53 HG1 ARG 53 0.562 3.601 -9.429 372 HD2 ARG 53 HD2 ARG 53 2.604 3.006 -10.224 373 HD3 ARG 53 HD1 ARG 53 2.121 1.432 -9.593 374 HE ARG 53 HE ARG 53 1.175 1.509 -12.197 375 HH11 ARG 53 HH11 ARG 53 4.271 1.744 -10.593 376 HH12 ARG 53 HH12 ARG 53 5.132 0.882 -11.825 377 HH21 ARG 53 HH21 ARG 53 2.272 0.324 -13.806 378 HH22 ARG 53 HH22 ARG 53 3.993 0.082 -13.675 379 H PHE 54 HN PHE 54 -2.592 1.373 -6.983 380 HA PHE 54 HA PHE 54 -2.951 -1.390 -6.971 381 HB2 PHE 54 HB2 PHE 54 -4.405 0.816 -5.490 382 HB3 PHE 54 HB1 PHE 54 -4.750 -0.883 -5.218 383 HD1 PHE 54 HD1 PHE 54 -1.460 -1.160 -5.817 384 HD2 PHE 54 HD2 PHE 54 -4.052 0.669 -2.984 385 HE1 PHE 54 HE1 PHE 54 0.326 -1.243 -4.128 386 HE2 PHE 54 HE2 PHE 54 -2.281 0.575 -1.293 387 HZ PHE 54 HZ PHE 54 -0.085 -0.381 -1.860 388 H ARG 55 HN ARG 55 -5.127 1.198 -8.000 389 HA ARG 55 HA ARG 55 -7.279 -0.686 -8.450 390 HB2 ARG 55 HB2 ARG 55 -7.190 2.296 -8.946 391 HB3 ARG 55 HB1 ARG 55 -8.623 1.276 -9.029 392 HG2 ARG 55 HG2 ARG 55 -8.081 0.691 -6.582 393 HG3 ARG 55 HG1 ARG 55 -7.029 2.108 -6.635 394 HD2 ARG 55 HD2 ARG 55 -9.108 2.851 -5.789 395 HD3 ARG 55 HD1 ARG 55 -9.029 3.403 -7.463 396 HE ARG 55 HE ARG 55 -10.459 0.925 -6.774 397 HH11 ARG 55 HH11 ARG 55 -10.414 4.116 -8.180 398 HH12 ARG 55 HH12 ARG 55 -12.035 4.022 -8.784 399 HH21 ARG 55 HH21 ARG 55 -12.586 0.769 -7.558 400 HH22 ARG 55 HH22 ARG 55 -13.285 2.118 -8.425 401 H GLU 56 HN GLU 56 -4.954 1.140 -10.345 402 HA GLU 56 HA GLU 56 -6.374 0.599 -12.812 403 HB2 GLU 56 HB2 GLU 56 -3.705 1.949 -12.354 404 HB3 GLU 56 HB1 GLU 56 -4.561 1.877 -13.889 405 HG2 GLU 56 HG2 GLU 56 -5.478 3.277 -11.386 406 HG3 GLU 56 HG1 GLU 56 -4.849 4.035 -12.847 407 H ASP 57 HN ASP 57 -3.148 -0.130 -11.514 408 HA ASP 57 HA ASP 57 -2.491 -1.855 -13.699 409 HB2 ASP 57 HB2 ASP 57 -1.128 -1.331 -11.053 410 HB3 ASP 57 HB1 ASP 57 -0.484 -2.426 -12.266 411 H LEU 58 HN LEU 58 -3.177 -2.417 -10.258 412 HA LEU 58 HA LEU 58 -3.078 -5.291 -10.682 413 HB2 LEU 58 HB2 LEU 58 -3.111 -3.482 -8.317 414 HB3 LEU 58 HB1 LEU 58 -3.760 -5.095 -8.105 415 HG LEU 58 HG LEU 58 -1.611 -6.058 -8.833 416 HD11 LEU 58 HD11 LEU 58 0.364 -4.670 -9.050 417 HD12 LEU 58 HD12 LEU 58 -0.619 -3.215 -8.856 418 HD13 LEU 58 HD13 LEU 58 -0.837 -4.242 -10.270 419 HD21 LEU 58 HD21 LEU 58 -0.341 -5.475 -6.837 420 HD22 LEU 58 HD22 LEU 58 -2.051 -5.697 -6.468 421 HD23 LEU 58 HD23 LEU 58 -1.376 -4.070 -6.582 422 H GLY 59 HN GLY 59 -5.479 -2.802 -10.096 423 HA2 GLY 59 HA2 GLY 59 -7.771 -2.966 -10.545 424 HA3 GLY 59 HA1 GLY 59 -7.572 -4.701 -10.763 425 H LEU 60 HN LEU 60 -6.451 -2.931 -7.967 426 HA LEU 60 HA LEU 60 -8.112 -4.562 -6.221 427 HB2 LEU 60 HB2 LEU 60 -6.152 -2.398 -5.468 428 HB3 LEU 60 HB1 LEU 60 -6.794 -3.649 -4.429 429 HG LEU 60 HG LEU 60 -4.920 -4.122 -6.745 430 HD11 LEU 60 HD11 LEU 60 -3.846 -2.901 -4.918 431 HD12 LEU 60 HD12 LEU 60 -3.234 -4.551 -5.029 432 HD13 LEU 60 HD13 LEU 60 -4.391 -4.124 -3.769 433 HD21 LEU 60 HD21 LEU 60 -4.722 -6.379 -5.835 434 HD22 LEU 60 HD22 LEU 60 -6.386 -6.021 -6.304 435 HD23 LEU 60 HD23 LEU 60 -5.922 -5.990 -4.603 436 H ASP 61 HN ASP 61 -9.602 -3.657 -4.711 437 HA ASP 61 HA ASP 61 -10.335 -0.854 -5.250 438 HB2 ASP 61 HB2 ASP 61 -12.019 -3.237 -4.659 439 HB3 ASP 61 HB1 ASP 61 -12.527 -1.698 -3.962 440 H LEU 62 HN LEU 62 -9.567 0.448 -3.785 441 HA LEU 62 HA LEU 62 -9.583 -0.410 -0.965 442 HB2 LEU 62 HB2 LEU 62 -7.373 0.582 -2.605 443 HB3 LEU 62 HB1 LEU 62 -7.597 1.526 -1.148 444 HG LEU 62 HG LEU 62 -5.951 -0.158 -0.705 445 HD11 LEU 62 HD11 LEU 62 -8.575 -0.942 0.553 446 HD12 LEU 62 HD12 LEU 62 -7.487 0.324 1.116 447 HD13 LEU 62 HD13 LEU 62 -6.975 -1.363 1.161 448 HD21 LEU 62 HD21 LEU 62 -7.979 -2.224 -1.552 449 HD22 LEU 62 HD22 LEU 62 -6.354 -2.534 -0.944 450 HD23 LEU 62 HD23 LEU 62 -6.575 -1.728 -2.496 451 H GLY 63 HN GLY 63 -11.099 1.402 -3.067 452 HA2 GLY 63 HA2 GLY 63 -12.615 3.184 -2.664 453 HA3 GLY 63 HA1 GLY 63 -11.806 3.470 -1.132 454 HA PRO 64 HA PRO 64 -10.177 6.454 -4.346 455 HB2 PRO 64 HB2 PRO 64 -11.923 8.474 -4.333 456 HB3 PRO 64 HB1 PRO 64 -12.224 7.004 -5.282 457 HG2 PRO 64 HG2 PRO 64 -13.372 7.831 -2.659 458 HG3 PRO 64 HG1 PRO 64 -14.164 7.019 -4.019 459 HD2 PRO 64 HD2 PRO 64 -13.173 5.772 -1.716 460 HD3 PRO 64 HD1 PRO 64 -13.571 4.962 -3.244 461 H GLU 65 HN GLU 65 -10.921 6.352 -1.141 462 HA GLU 65 HA GLU 65 -9.810 8.999 -0.513 463 HB2 GLU 65 HB2 GLU 65 -11.368 7.097 1.251 464 HB3 GLU 65 HB1 GLU 65 -10.836 8.715 1.693 465 HG2 GLU 65 HG2 GLU 65 -12.291 9.703 0.063 466 HG3 GLU 65 HG1 GLU 65 -12.741 8.114 -0.556 467 H PHE 66 HN PHE 66 -8.494 6.249 -1.121 468 HA PHE 66 HA PHE 66 -7.121 5.787 1.408 469 HB2 PHE 66 HB2 PHE 66 -8.059 3.869 0.080 470 HB3 PHE 66 HB1 PHE 66 -6.898 4.242 -1.187 471 HD1 PHE 66 HD2 PHE 66 -7.252 3.111 2.293 472 HD2 PHE 66 HD1 PHE 66 -4.653 3.505 -1.058 473 HE1 PHE 66 HE2 PHE 66 -5.606 1.671 3.399 474 HE2 PHE 66 HE1 PHE 66 -3.007 2.056 0.046 475 HZ PHE 66 HZ PHE 66 -3.445 1.146 2.240 476 H SER 67 HN SER 67 -5.422 6.995 1.789 477 HA SER 67 HA SER 67 -3.426 7.356 -0.332 478 HB2 SER 67 HB2 SER 67 -4.157 9.530 1.650 479 HB3 SER 67 HB1 SER 67 -3.094 9.660 0.246 480 HG SER 67 HG SER 67 -4.972 9.202 -1.059 481 H LEU 68 HN LEU 68 -1.400 6.847 0.334 482 HA LEU 68 HA LEU 68 -1.142 5.499 2.805 483 HB2 LEU 68 HB2 LEU 68 1.025 6.336 0.888 484 HB3 LEU 68 HB1 LEU 68 1.197 5.160 2.176 485 HG LEU 68 HG LEU 68 -0.476 4.916 -0.320 486 HD11 LEU 68 HD11 LEU 68 1.765 4.361 -0.791 487 HD12 LEU 68 HD12 LEU 68 0.929 2.821 -0.536 488 HD13 LEU 68 HD13 LEU 68 1.950 3.494 0.732 489 HD21 LEU 68 HD21 LEU 68 -1.662 4.066 1.674 490 HD22 LEU 68 HD22 LEU 68 -0.303 2.976 1.969 491 HD23 LEU 68 HD23 LEU 68 -1.262 2.823 0.496 492 H PHE 69 HN PHE 69 0.128 8.618 1.683 493 HA PHE 69 HA PHE 69 1.650 9.181 3.995 494 HB2 PHE 69 HB2 PHE 69 1.997 10.307 1.849 495 HB3 PHE 69 HB1 PHE 69 0.402 11.042 1.946 496 HD1 PHE 69 HD1 PHE 69 3.261 10.708 4.298 497 HD2 PHE 69 HD2 PHE 69 0.552 13.300 2.296 498 HE1 PHE 69 HE1 PHE 69 4.260 12.645 5.458 499 HE2 PHE 69 HE2 PHE 69 1.533 15.245 3.449 500 HZ PHE 69 HZ PHE 69 3.361 14.944 5.006 501 H ILE 70 HN ILE 70 -1.640 8.796 3.739 502 HA ILE 70 HA ILE 70 -2.166 10.770 5.867 503 HB ILE 70 HB ILE 70 -4.102 9.787 3.740 504 HG12 ILE 70 HG12 ILE 70 -3.007 12.541 4.369 505 HG13 ILE 70 HG11 ILE 70 -2.550 11.548 2.993 506 HG21 ILE 70 HG21 ILE 70 -4.654 11.621 6.070 507 HG22 ILE 70 HG22 ILE 70 -5.226 9.960 5.906 508 HG23 ILE 70 HG23 ILE 70 -5.777 11.198 4.777 509 HD11 ILE 70 HD11 ILE 70 -4.783 11.713 2.081 510 HD12 ILE 70 HD12 ILE 70 -4.139 13.326 2.392 511 HD13 ILE 70 HD13 ILE 70 -5.319 12.618 3.496 512 H ASP 71 HN ASP 71 -2.802 7.448 4.752 513 HA ASP 71 HA ASP 71 -3.899 6.888 7.433 514 HB2 ASP 71 HB2 ASP 71 -5.633 7.018 5.602 515 HB3 ASP 71 HB1 ASP 71 -4.884 5.602 4.875 516 H CYS 72 HN CYS 72 -1.233 6.330 5.741 517 HA CYS 72 HA CYS 72 -0.853 3.689 6.898 518 HB2 CYS 72 HB2 CYS 72 -0.442 4.189 3.940 519 HB3 CYS 72 HB1 CYS 72 0.063 2.740 4.802 520 HG CYS 72 HG CYS 72 -3.101 3.155 5.435 521 H THR 73 HN THR 73 0.639 4.609 8.267 522 HA THR 73 HA THR 73 2.670 6.396 7.231 523 HB THR 73 HB THR 73 3.427 6.294 9.695 524 HG1 THR 73 HG1 THR 73 2.048 5.298 11.105 525 HG21 THR 73 HG21 THR 73 2.192 8.184 8.823 526 HG22 THR 73 HG22 THR 73 1.508 7.746 10.391 527 HG23 THR 73 HG23 THR 73 0.680 7.282 8.903 528 H THR 74 HN THR 74 2.487 3.039 8.280 529 HA THR 74 HA THR 74 5.347 2.776 7.658 530 HB THR 74 HB THR 74 5.329 0.690 8.945 531 HG1 THR 74 HG1 THR 74 3.424 0.158 10.143 532 HG21 THR 74 HG21 THR 74 5.857 2.776 10.114 533 HG22 THR 74 HG22 THR 74 5.031 1.637 11.179 534 HG23 THR 74 HG23 THR 74 4.148 2.996 10.487 535 H VAL 75 HN VAL 75 5.770 0.351 6.909 536 HA VAL 75 HA VAL 75 4.397 0.155 4.380 537 HB VAL 75 HB VAL 75 6.189 -2.053 5.141 538 HG11 VAL 75 HG11 VAL 75 5.402 -1.726 2.864 539 HG12 VAL 75 HG12 VAL 75 7.158 -1.580 2.955 540 HG13 VAL 75 HG13 VAL 75 6.159 -0.134 2.822 541 HG21 VAL 75 HG21 VAL 75 8.228 -0.644 4.870 542 HG22 VAL 75 HG22 VAL 75 7.346 -0.386 6.375 543 HG23 VAL 75 HG23 VAL 75 7.199 0.778 5.057 544 H ARG 76 HN ARG 76 4.780 -1.843 7.298 545 HA ARG 76 HA ARG 76 3.272 -4.048 6.505 546 HB2 ARG 76 HB2 ARG 76 4.671 -3.919 8.555 547 HB3 ARG 76 HB1 ARG 76 3.432 -2.916 9.300 548 HG2 ARG 76 HG2 ARG 76 2.935 -5.019 10.123 549 HG3 ARG 76 HG1 ARG 76 1.857 -4.889 8.729 550 HD2 ARG 76 HD2 ARG 76 3.520 -6.125 7.376 551 HD3 ARG 76 HD1 ARG 76 4.503 -6.330 8.828 552 HE ARG 76 HE ARG 76 1.740 -7.323 8.808 553 HH11 ARG 76 HH11 ARG 76 5.185 -7.987 8.939 554 HH12 ARG 76 HH12 ARG 76 4.970 -9.654 9.368 555 HH21 ARG 76 HH21 ARG 76 1.446 -9.484 9.341 556 HH22 ARG 76 HH22 ARG 76 2.830 -10.516 9.604 557 H ALA 77 HN ALA 77 2.298 -0.926 7.764 558 HA ALA 77 HA ALA 77 -0.373 -1.390 8.366 559 HB1 ALA 77 HB1 ALA 77 -0.708 0.992 7.992 560 HB2 ALA 77 HB2 ALA 77 0.832 1.082 7.136 561 HB3 ALA 77 HB3 ALA 77 0.801 0.703 8.858 562 H LEU 78 HN LEU 78 1.225 -1.056 5.279 563 HA LEU 78 HA LEU 78 -1.257 -0.946 3.791 564 HB2 LEU 78 HB2 LEU 78 0.666 0.294 3.026 565 HB3 LEU 78 HB1 LEU 78 1.652 -1.135 3.056 566 HG LEU 78 HG LEU 78 0.785 -1.967 1.101 567 HD11 LEU 78 HD11 LEU 78 -1.457 0.014 0.998 568 HD12 LEU 78 HD12 LEU 78 -1.645 -1.514 1.859 569 HD13 LEU 78 HD13 LEU 78 -1.288 -1.513 0.125 570 HD21 LEU 78 HD21 LEU 78 0.738 1.033 0.867 571 HD22 LEU 78 HD22 LEU 78 0.864 -0.078 -0.492 572 HD23 LEU 78 HD23 LEU 78 2.154 -0.007 0.713 573 H LYS 79 HN LYS 79 1.508 -3.056 4.175 574 HA LYS 79 HA LYS 79 0.753 -5.132 2.485 575 HB2 LYS 79 HB2 LYS 79 2.298 -5.423 5.043 576 HB3 LYS 79 HB1 LYS 79 2.431 -6.469 3.621 577 HG2 LYS 79 HG2 LYS 79 3.054 -3.968 2.588 578 HG3 LYS 79 HG1 LYS 79 3.697 -3.884 4.218 579 HD2 LYS 79 HD2 LYS 79 5.008 -5.962 3.798 580 HD3 LYS 79 HD1 LYS 79 4.392 -5.967 2.140 581 HE2 LYS 79 HE2 LYS 79 5.488 -3.959 1.620 582 HE3 LYS 79 HE1 LYS 79 5.835 -3.613 3.323 583 HZ1 LYS 79 HZ1 LYS 79 7.011 -5.819 1.683 584 HZ2 LYS 79 HZ2 LYS 79 7.343 -5.550 3.321 585 HZ3 LYS 79 HZ3 LYS 79 7.817 -4.411 2.169 586 H ASP 80 HN ASP 80 0.484 -5.028 6.025 587 HA ASP 80 HA ASP 80 -0.675 -7.606 6.207 588 HB2 ASP 80 HB2 ASP 80 0.662 -6.319 7.961 589 HB3 ASP 80 HB1 ASP 80 -0.831 -5.454 8.306 590 H PHE 81 HN PHE 81 -1.923 -4.440 5.781 591 HA PHE 81 HA PHE 81 -4.575 -4.824 6.693 592 HB2 PHE 81 HB2 PHE 81 -3.516 -2.601 6.380 593 HB3 PHE 81 HB1 PHE 81 -3.500 -2.868 4.640 594 HD1 PHE 81 HD1 PHE 81 -5.881 -2.812 7.504 595 HD2 PHE 81 HD2 PHE 81 -5.197 -1.989 3.386 596 HE1 PHE 81 HE1 PHE 81 -8.116 -1.787 7.349 597 HE2 PHE 81 HE2 PHE 81 -7.432 -0.969 3.215 598 HZ PHE 81 HZ PHE 81 -8.891 -0.867 5.199 599 H MET 82 HN MET 82 -2.903 -5.628 3.776 600 HA MET 82 HA MET 82 -5.246 -5.865 2.123 601 HB2 MET 82 HB2 MET 82 -2.562 -7.088 1.583 602 HB3 MET 82 HB1 MET 82 -3.773 -6.571 0.418 603 HG2 MET 82 HG2 MET 82 -3.357 -4.262 0.910 604 HG3 MET 82 HG1 MET 82 -2.286 -4.704 2.241 605 HE1 MET 82 HE1 MET 82 -2.362 -3.654 -1.461 606 HE2 MET 82 HE2 MET 82 -2.920 -5.328 -1.517 607 HE3 MET 82 HE3 MET 82 -1.364 -4.888 -2.233 608 H LEU 83 HN LEU 83 -3.171 -8.035 3.959 609 HA LEU 83 HA LEU 83 -4.614 -10.378 3.147 610 HB2 LEU 83 HB2 LEU 83 -2.569 -9.933 5.334 611 HB3 LEU 83 HB1 LEU 83 -3.271 -11.496 4.972 612 HG LEU 83 HG LEU 83 -2.297 -11.253 2.633 613 HD11 LEU 83 HD11 LEU 83 -1.925 -8.852 2.655 614 HD12 LEU 83 HD12 LEU 83 -0.424 -9.729 2.354 615 HD13 LEU 83 HD13 LEU 83 -0.739 -9.042 3.948 616 HD21 LEU 83 HD21 LEU 83 -1.276 -12.717 4.310 617 HD22 LEU 83 HD22 LEU 83 -0.356 -11.352 4.947 618 HD23 LEU 83 HD23 LEU 83 -0.047 -11.940 3.312 619 H GLY 84 HN GLY 84 -4.451 -8.380 6.070 620 HA2 GLY 84 HA2 GLY 84 -6.919 -8.059 6.786 621 HA3 GLY 84 HA1 GLY 84 -6.820 -9.786 7.079 622 H SER 85 HN SER 85 -5.803 -6.628 8.127 623 HA SER 85 HA SER 85 -4.340 -7.569 10.422 624 HB2 SER 85 HB2 SER 85 -5.429 -4.827 9.756 625 HB3 SER 85 HB1 SER 85 -4.330 -5.207 11.079 626 HG SER 85 HG SER 85 -3.016 -6.171 9.209 627 H GLY 86 HN GLY 86 -6.756 -8.810 10.434 628 HA2 GLY 86 HA2 GLY 86 -7.854 -8.117 12.978 629 HA3 GLY 86 HA1 GLY 86 -8.948 -7.703 11.661 630 H ASP 87 HN ASP 87 -6.752 -10.423 12.296 631 HA ASP 87 HA ASP 87 -8.605 -12.263 11.104 632 HB2 ASP 87 HB2 ASP 87 -6.894 -13.972 11.611 633 HB3 ASP 87 HB1 ASP 87 -6.214 -12.584 10.773 634 H ALA 88 HN ALA 88 -7.442 -11.596 14.381 635 HA ALA 88 HA ALA 88 -9.213 -13.616 15.495 636 HB1 ALA 88 HB1 ALA 88 -6.987 -13.241 16.468 637 HB2 ALA 88 HB2 ALA 88 -8.276 -12.967 17.640 638 HB3 ALA 88 HB3 ALA 88 -7.462 -11.596 16.889 639 H GLY 89 HN GLY 89 -8.912 -10.114 15.335 640 HA2 GLY 89 HA2 GLY 89 -11.772 -9.823 15.565 641 HA3 GLY 89 HA1 GLY 89 -10.880 -9.171 16.936 642 H282 PNS 90 H28A PNS 44 -2.164 15.577 -3.441 643 H281 PNS 90 H28B PNS 44 -2.139 13.833 -3.176 644 H303 PNS 90 H30A PNS 44 -2.627 13.225 -5.440 645 H302 PNS 90 H30B PNS 44 -2.451 14.936 -5.833 646 H301 PNS 90 H30C PNS 44 -3.888 14.054 -6.352 647 H313 PNS 90 H31A PNS 44 -5.571 13.285 -4.590 648 H312 PNS 90 H31B PNS 44 -5.256 13.672 -2.899 649 H311 PNS 90 H31C PNS 44 -4.248 12.492 -3.736 650 H32 PNS 90 H32A PNS 44 -5.268 15.995 -3.573 651 H33 PNS 90 H33A PNS 44 -3.689 17.416 -3.720 652 H36 PNS 90 H36A PNS 44 -4.814 17.526 -6.280 653 H372 PNS 90 H37A PNS 44 -6.172 16.039 -8.293 654 H371 PNS 90 H37B PNS 44 -7.261 17.149 -7.464 655 H382 PNS 90 H38A PNS 44 -4.691 17.945 -8.820 656 H381 PNS 90 H38B PNS 44 -6.291 18.078 -9.542 657 H41 PNS 90 H41A PNS 44 -4.928 20.262 -9.537 658 H422 PNS 90 H42A PNS 44 -6.417 22.106 -7.939 659 H421 PNS 90 H42B PNS 44 -4.726 22.009 -7.449 660 H431 PNS 90 H43A PNS 44 -4.045 22.552 -9.738 661 H432 PNS 90 H43B PNS 44 -5.052 23.813 -9.033 662 H44 PNS 90 H1 PNS 44 -7.341 23.149 -10.428 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 -16.717 -10.903 14.816 2 H2 ALA 1 HT2 ALA 1 -17.680 -11.826 13.775 3 H3 ALA 1 HT3 ALA 1 -17.874 -11.969 15.446 4 HA ALA 1 HA ALA 1 -19.638 -10.661 14.398 5 HB1 ALA 1 HB1 ALA 1 -19.568 -8.820 15.991 6 HB2 ALA 1 HB2 ALA 1 -17.850 -9.107 16.268 7 HB3 ALA 1 HB3 ALA 1 -19.036 -10.320 16.750 8 H MET 2 HN MET 2 -17.334 -8.076 14.910 9 HA MET 2 HA MET 2 -17.935 -6.976 12.322 10 HB2 MET 2 HB2 MET 2 -15.981 -6.035 14.432 11 HB3 MET 2 HB1 MET 2 -16.407 -5.141 12.979 12 HG2 MET 2 HG2 MET 2 -17.697 -4.150 14.619 13 HG3 MET 2 HG1 MET 2 -18.815 -5.271 13.848 14 HE1 MET 2 HE1 MET 2 -15.924 -5.914 16.510 15 HE2 MET 2 HE2 MET 2 -16.874 -5.829 17.994 16 HE3 MET 2 HE3 MET 2 -16.703 -4.403 16.970 17 H ALA 3 HN ALA 3 -16.976 -7.997 10.581 18 HA ALA 3 HA ALA 3 -14.062 -8.326 10.739 19 HB1 ALA 3 HB1 ALA 3 -14.236 -10.142 9.131 20 HB2 ALA 3 HB2 ALA 3 -15.993 -9.987 9.125 21 HB3 ALA 3 HB3 ALA 3 -15.158 -10.508 10.589 22 H LYS 4 HN LYS 4 -12.992 -7.135 9.386 23 HA LYS 4 HA LYS 4 -14.281 -6.009 7.032 24 HB2 LYS 4 HB2 LYS 4 -14.819 -4.495 8.903 25 HB3 LYS 4 HB1 LYS 4 -13.103 -4.305 9.227 26 HG2 LYS 4 HG2 LYS 4 -12.770 -3.157 7.151 27 HG3 LYS 4 HG1 LYS 4 -14.426 -3.513 6.641 28 HD2 LYS 4 HD2 LYS 4 -15.321 -2.144 8.404 29 HD3 LYS 4 HD1 LYS 4 -13.716 -1.898 9.087 30 HE2 LYS 4 HE2 LYS 4 -13.043 -0.660 7.103 31 HE3 LYS 4 HE1 LYS 4 -14.619 -0.951 6.372 32 HZ1 LYS 4 HZ1 LYS 4 -15.675 0.410 7.940 33 HZ2 LYS 4 HZ2 LYS 4 -14.286 1.273 7.495 34 HZ3 LYS 4 HZ3 LYS 4 -14.331 0.435 8.967 35 H GLY 5 HN GLY 5 -12.945 -6.299 5.433 36 HA2 GLY 5 HA2 GLY 5 -10.351 -5.217 5.326 37 HA3 GLY 5 HA1 GLY 5 -10.226 -6.944 5.634 38 H VAL 6 HN VAL 6 -9.226 -5.751 3.300 39 HA VAL 6 HA VAL 6 -11.118 -6.013 1.164 40 HB VAL 6 HB VAL 6 -8.104 -5.952 1.021 41 HG11 VAL 6 HG11 VAL 6 -8.465 -5.212 -1.300 42 HG12 VAL 6 HG12 VAL 6 -10.198 -5.472 -1.097 43 HG13 VAL 6 HG13 VAL 6 -9.083 -6.837 -1.009 44 HG21 VAL 6 HG21 VAL 6 -8.965 -3.955 2.112 45 HG22 VAL 6 HG22 VAL 6 -10.100 -3.704 0.784 46 HG23 VAL 6 HG23 VAL 6 -8.365 -3.571 0.498 47 H GLY 7 HN GLY 7 -8.138 -7.859 1.833 48 HA2 GLY 7 HA2 GLY 7 -8.101 -10.237 2.054 49 HA3 GLY 7 HA1 GLY 7 -9.606 -10.313 1.152 50 H VAL 8 HN VAL 8 -6.154 -10.089 0.951 51 HA VAL 8 HA VAL 8 -6.345 -10.388 -1.967 52 HB VAL 8 HB VAL 8 -4.341 -9.186 -2.310 53 HG11 VAL 8 HG11 VAL 8 -6.169 -7.696 -1.902 54 HG12 VAL 8 HG12 VAL 8 -4.713 -7.012 -1.180 55 HG13 VAL 8 HG13 VAL 8 -5.921 -7.790 -0.160 56 HG21 VAL 8 HG21 VAL 8 -3.880 -9.254 0.672 57 HG22 VAL 8 HG22 VAL 8 -2.876 -8.400 -0.502 58 HG23 VAL 8 HG23 VAL 8 -2.990 -10.158 -0.553 59 H SER 9 HN SER 9 -4.742 -11.740 -2.952 60 HA SER 9 HA SER 9 -3.964 -13.986 -1.332 61 HB2 SER 9 HB2 SER 9 -3.047 -14.821 -3.540 62 HB3 SER 9 HB1 SER 9 -4.774 -14.449 -3.556 63 HG SER 9 HG SER 9 -4.118 -13.374 -5.298 64 H ASN 10 HN ASN 10 -1.647 -14.840 -1.705 65 HA ASN 10 HA ASN 10 0.246 -12.922 -0.840 66 HB2 ASN 10 HB2 ASN 10 1.889 -14.819 -1.302 67 HB3 ASN 10 HB1 ASN 10 0.623 -15.135 -0.126 68 HD21 ASN 10 HD21 ASN 10 0.607 -17.308 -0.332 69 HD22 ASN 10 HD22 ASN 10 0.107 -18.140 -1.771 70 H GLU 11 HN GLU 11 -0.908 -13.853 -3.886 71 HA GLU 11 HA GLU 11 1.243 -13.034 -5.535 72 HB2 GLU 11 HB2 GLU 11 -0.482 -14.364 -6.519 73 HB3 GLU 11 HB1 GLU 11 -1.743 -13.297 -5.921 74 HG2 GLU 11 HG2 GLU 11 -1.578 -12.952 -8.260 75 HG3 GLU 11 HG1 GLU 11 -0.812 -11.549 -7.510 76 H LYS 12 HN LYS 12 -1.649 -11.391 -4.322 77 HA LYS 12 HA LYS 12 -1.016 -8.861 -5.439 78 HB2 LYS 12 HB2 LYS 12 -3.004 -9.925 -3.590 79 HB3 LYS 12 HB1 LYS 12 -2.493 -8.294 -3.178 80 HG2 LYS 12 HG2 LYS 12 -4.250 -7.860 -4.590 81 HG3 LYS 12 HG1 LYS 12 -2.900 -7.841 -5.724 82 HD2 LYS 12 HD2 LYS 12 -3.385 -10.225 -6.251 83 HD3 LYS 12 HD1 LYS 12 -4.807 -10.114 -5.206 84 HE2 LYS 12 HE2 LYS 12 -5.621 -9.771 -7.375 85 HE3 LYS 12 HE1 LYS 12 -5.536 -8.170 -6.651 86 HZ1 LYS 12 HZ1 LYS 12 -4.669 -7.977 -8.815 87 HZ2 LYS 12 HZ2 LYS 12 -3.701 -9.361 -8.649 88 HZ3 LYS 12 HZ3 LYS 12 -3.321 -7.952 -7.790 89 H LEU 13 HN LEU 13 -0.224 -10.482 -2.452 90 HA LEU 13 HA LEU 13 0.937 -8.252 -1.139 91 HB2 LEU 13 HB2 LEU 13 0.218 -10.509 -0.155 92 HB3 LEU 13 HB1 LEU 13 1.767 -11.119 -0.699 93 HG LEU 13 HG LEU 13 2.850 -9.320 0.676 94 HD11 LEU 13 HD11 LEU 13 0.946 -7.809 0.817 95 HD12 LEU 13 HD12 LEU 13 1.513 -8.268 2.422 96 HD13 LEU 13 HD13 LEU 13 0.058 -9.010 1.755 97 HD21 LEU 13 HD21 LEU 13 2.506 -10.477 2.810 98 HD22 LEU 13 HD22 LEU 13 2.732 -11.603 1.472 99 HD23 LEU 13 HD23 LEU 13 1.116 -11.314 2.117 100 H ASP 14 HN ASP 14 2.149 -10.480 -3.559 101 HA ASP 14 HA ASP 14 4.894 -9.621 -3.214 102 HB2 ASP 14 HB2 ASP 14 3.660 -11.841 -4.349 103 HB3 ASP 14 HB1 ASP 14 4.249 -10.959 -5.742 104 H ALA 15 HN ALA 15 2.103 -8.761 -5.090 105 HA ALA 15 HA ALA 15 3.605 -7.327 -7.091 106 HB1 ALA 15 HB1 ALA 15 0.633 -7.319 -6.591 107 HB2 ALA 15 HB2 ALA 15 1.477 -8.481 -7.610 108 HB3 ALA 15 HB3 ALA 15 1.456 -6.769 -8.051 109 H VAL 16 HN VAL 16 1.923 -6.572 -4.114 110 HA VAL 16 HA VAL 16 1.728 -3.792 -4.523 111 HB VAL 16 HB VAL 16 0.414 -4.748 -2.766 112 HG11 VAL 16 HG11 VAL 16 1.362 -5.713 -0.745 113 HG12 VAL 16 HG12 VAL 16 2.996 -5.445 -1.355 114 HG13 VAL 16 HG13 VAL 16 1.933 -6.597 -2.161 115 HG21 VAL 16 HG21 VAL 16 0.990 -3.248 -0.897 116 HG22 VAL 16 HG22 VAL 16 1.101 -2.432 -2.457 117 HG23 VAL 16 HG23 VAL 16 2.571 -2.958 -1.631 118 H MET 17 HN MET 17 4.262 -5.795 -3.127 119 HA MET 17 HA MET 17 5.744 -3.686 -2.000 120 HB2 MET 17 HB2 MET 17 6.818 -6.358 -2.936 121 HB3 MET 17 HB1 MET 17 7.530 -5.293 -1.741 122 HG2 MET 17 HG2 MET 17 5.540 -5.641 -0.311 123 HG3 MET 17 HG1 MET 17 4.971 -6.824 -1.484 124 HE1 MET 17 HE1 MET 17 4.835 -8.879 0.128 125 HE2 MET 17 HE2 MET 17 5.150 -7.738 1.436 126 HE3 MET 17 HE3 MET 17 6.066 -9.243 1.338 127 H ARG 18 HN ARG 18 5.593 -4.983 -5.243 128 HA ARG 18 HA ARG 18 8.018 -3.658 -6.031 129 HB2 ARG 18 HB2 ARG 18 7.662 -4.520 -8.226 130 HB3 ARG 18 HB1 ARG 18 7.406 -5.798 -7.051 131 HG2 ARG 18 HG2 ARG 18 5.035 -5.613 -7.299 132 HG3 ARG 18 HG1 ARG 18 5.218 -4.221 -8.372 133 HD2 ARG 18 HD2 ARG 18 6.193 -7.028 -8.890 134 HD3 ARG 18 HD1 ARG 18 4.816 -6.242 -9.668 135 HE ARG 18 HE ARG 18 7.006 -4.609 -10.114 136 HH11 ARG 18 HH11 ARG 18 6.093 -7.909 -10.892 137 HH12 ARG 18 HH12 ARG 18 7.037 -7.960 -12.348 138 HH21 ARG 18 HH21 ARG 18 8.259 -4.677 -12.006 139 HH22 ARG 18 HH22 ARG 18 8.276 -6.119 -12.979 140 H VAL 19 HN VAL 19 4.649 -2.863 -5.929 141 HA VAL 19 HA VAL 19 4.970 -0.628 -7.734 142 HB VAL 19 HB VAL 19 2.736 -1.392 -5.833 143 HG11 VAL 19 HG11 VAL 19 2.917 0.929 -7.741 144 HG12 VAL 19 HG12 VAL 19 2.739 1.007 -5.991 145 HG13 VAL 19 HG13 VAL 19 1.424 0.381 -6.987 146 HG21 VAL 19 HG21 VAL 19 2.821 -1.359 -8.846 147 HG22 VAL 19 HG22 VAL 19 1.548 -2.017 -7.818 148 HG23 VAL 19 HG23 VAL 19 3.134 -2.790 -7.865 149 H VAL 20 HN VAL 20 5.262 -1.373 -4.403 150 HA VAL 20 HA VAL 20 5.504 1.330 -3.483 151 HB VAL 20 HB VAL 20 6.055 -1.376 -2.247 152 HG11 VAL 20 HG11 VAL 20 6.531 1.302 -0.924 153 HG12 VAL 20 HG12 VAL 20 7.790 0.168 -1.412 154 HG13 VAL 20 HG13 VAL 20 6.641 -0.281 -0.152 155 HG21 VAL 20 HG21 VAL 20 3.722 -0.650 -2.395 156 HG22 VAL 20 HG22 VAL 20 4.130 0.859 -1.577 157 HG23 VAL 20 HG23 VAL 20 4.262 -0.672 -0.715 158 H SER 21 HN SER 21 7.720 -1.195 -4.598 159 HA SER 21 HA SER 21 10.114 0.016 -3.738 160 HB2 SER 21 HB2 SER 21 11.204 -1.419 -5.455 161 HB3 SER 21 HB1 SER 21 10.063 -2.343 -4.477 162 HG SER 21 HG SER 21 9.872 -1.496 -7.161 163 H GLU 22 HN GLU 22 8.466 0.098 -6.855 164 HA GLU 22 HA GLU 22 10.230 1.748 -8.233 165 HB2 GLU 22 HB2 GLU 22 7.221 1.603 -8.573 166 HB3 GLU 22 HB1 GLU 22 8.374 2.182 -9.773 167 HG2 GLU 22 HG2 GLU 22 7.928 -0.615 -8.796 168 HG3 GLU 22 HG1 GLU 22 7.800 0.013 -10.439 169 H GLU 23 HN GLU 23 7.300 2.659 -6.453 170 HA GLU 23 HA GLU 23 7.570 5.419 -7.065 171 HB2 GLU 23 HB2 GLU 23 5.852 3.940 -5.061 172 HB3 GLU 23 HB1 GLU 23 5.678 5.654 -5.421 173 HG2 GLU 23 HG2 GLU 23 5.439 3.447 -7.449 174 HG3 GLU 23 HG1 GLU 23 4.075 4.174 -6.609 175 H SER 24 HN SER 24 8.243 3.533 -4.102 176 HA SER 24 HA SER 24 8.944 5.853 -2.563 177 HB2 SER 24 HB2 SER 24 9.598 2.958 -2.004 178 HB3 SER 24 HB1 SER 24 9.589 4.283 -0.842 179 HG SER 24 HG SER 24 7.441 2.955 -2.059 180 H GLY 25 HN GLY 25 10.771 3.426 -4.376 181 HA2 GLY 25 HA2 GLY 25 12.892 4.045 -5.377 182 HA3 GLY 25 HA1 GLY 25 13.154 5.144 -4.029 183 H ILE 26 HN ILE 26 11.897 2.493 -2.635 184 HA ILE 26 HA ILE 26 14.533 1.467 -1.913 185 HB ILE 26 HB ILE 26 11.941 0.503 -0.713 186 HG12 ILE 26 HG12 ILE 26 13.512 2.876 0.346 187 HG13 ILE 26 HG11 ILE 26 12.062 3.042 -0.641 188 HG21 ILE 26 HG21 ILE 26 13.373 0.104 1.254 189 HG22 ILE 26 HG22 ILE 26 14.757 0.724 0.350 190 HG23 ILE 26 HG23 ILE 26 13.946 -0.749 -0.181 191 HD11 ILE 26 HD11 ILE 26 11.561 3.286 1.723 192 HD12 ILE 26 HD12 ILE 26 12.249 1.695 2.048 193 HD13 ILE 26 HD13 ILE 26 10.783 1.840 1.077 194 H ALA 27 HN ALA 27 15.296 -0.323 -2.824 195 HA ALA 27 HA ALA 27 14.062 -1.784 -4.831 196 HB1 ALA 27 HB1 ALA 27 16.241 -2.719 -2.965 197 HB2 ALA 27 HB2 ALA 27 16.486 -1.732 -4.404 198 HB3 ALA 27 HB3 ALA 27 15.879 -3.380 -4.560 199 H LEU 28 HN LEU 28 13.020 -3.735 -4.948 200 HA LEU 28 HA LEU 28 11.206 -4.467 -2.970 201 HB2 LEU 28 HB2 LEU 28 10.918 -5.095 -5.280 202 HB3 LEU 28 HB1 LEU 28 12.387 -6.043 -5.260 203 HG LEU 28 HG LEU 28 11.274 -7.608 -3.645 204 HD11 LEU 28 HD11 LEU 28 8.894 -5.881 -4.279 205 HD12 LEU 28 HD12 LEU 28 9.553 -6.274 -2.689 206 HD13 LEU 28 HD13 LEU 28 8.758 -7.523 -3.652 207 HD21 LEU 28 HD21 LEU 28 11.442 -8.140 -5.994 208 HD22 LEU 28 HD22 LEU 28 9.995 -7.193 -6.336 209 HD23 LEU 28 HD23 LEU 28 9.872 -8.664 -5.375 210 H GLU 29 HN GLU 29 14.473 -5.624 -3.593 211 HA GLU 29 HA GLU 29 14.375 -7.775 -1.716 212 HB2 GLU 29 HB2 GLU 29 16.815 -6.399 -2.833 213 HB3 GLU 29 HB1 GLU 29 16.732 -7.996 -2.098 214 HG2 GLU 29 HG2 GLU 29 15.297 -7.203 -4.610 215 HG3 GLU 29 HG1 GLU 29 16.840 -8.067 -4.561 216 H GLU 30 HN GLU 30 14.548 -4.469 -1.336 217 HA GLU 30 HA GLU 30 15.901 -4.730 1.274 218 HB2 GLU 30 HB2 GLU 30 15.641 -2.220 -0.389 219 HB3 GLU 30 HB1 GLU 30 16.604 -2.436 1.072 220 HG2 GLU 30 HG2 GLU 30 17.937 -4.149 -0.244 221 HG3 GLU 30 HG1 GLU 30 17.105 -3.530 -1.670 222 H LEU 31 HN LEU 31 12.972 -4.573 -0.059 223 HA LEU 31 HA LEU 31 11.814 -2.447 1.469 224 HB2 LEU 31 HB2 LEU 31 10.996 -3.978 -0.699 225 HB3 LEU 31 HB1 LEU 31 9.969 -4.568 0.599 226 HG LEU 31 HG LEU 31 10.045 -1.893 -0.705 227 HD11 LEU 31 HD11 LEU 31 7.618 -2.136 -0.515 228 HD12 LEU 31 HD12 LEU 31 7.843 -3.653 0.354 229 HD13 LEU 31 HD13 LEU 31 8.357 -3.518 -1.326 230 HD21 LEU 31 HD21 LEU 31 10.509 -1.320 1.605 231 HD22 LEU 31 HD22 LEU 31 9.167 -2.327 2.149 232 HD23 LEU 31 HD23 LEU 31 8.852 -0.878 1.191 233 H THR 32 HN THR 32 12.169 -2.736 3.595 234 HA THR 32 HA THR 32 11.299 -5.266 4.800 235 HB THR 32 HB THR 32 12.616 -4.620 6.760 236 HG1 THR 32 HG1 THR 32 13.989 -2.534 5.752 237 HG21 THR 32 HG21 THR 32 14.908 -4.558 5.731 238 HG22 THR 32 HG22 THR 32 14.142 -4.373 4.150 239 HG23 THR 32 HG23 THR 32 13.879 -5.839 5.098 240 H ASP 33 HN ASP 33 10.017 -5.120 6.792 241 HA ASP 33 HA ASP 33 7.963 -3.141 6.446 242 HB2 ASP 33 HB2 ASP 33 8.275 -5.445 8.355 243 HB3 ASP 33 HB1 ASP 33 6.927 -4.318 8.456 244 H ASP 34 HN ASP 34 10.845 -3.083 7.954 245 HA ASP 34 HA ASP 34 10.106 -1.424 10.205 246 HB2 ASP 34 HB2 ASP 34 12.747 -2.299 9.045 247 HB3 ASP 34 HB1 ASP 34 12.636 -1.137 10.367 248 H SER 35 HN SER 35 10.397 -0.990 6.934 249 HA SER 35 HA SER 35 11.495 1.694 6.981 250 HB2 SER 35 HB2 SER 35 10.053 0.211 4.767 251 HB3 SER 35 HB1 SER 35 10.937 1.725 4.582 252 HG SER 35 HG SER 35 12.167 -0.602 5.619 253 H ASN 36 HN ASN 36 10.349 3.589 6.473 254 HA ASN 36 HA ASN 36 7.498 3.440 7.212 255 HB2 ASN 36 HB2 ASN 36 9.060 4.219 9.060 256 HB3 ASN 36 HB1 ASN 36 9.443 5.594 8.049 257 HD21 ASN 36 HD21 ASN 36 7.026 4.185 10.146 258 HD22 ASN 36 HD22 ASN 36 5.971 5.553 10.141 259 H PHE 37 HN PHE 37 6.239 4.347 5.708 260 HA PHE 37 HA PHE 37 7.200 5.425 3.321 261 HB2 PHE 37 HB2 PHE 37 4.512 5.416 4.653 262 HB3 PHE 37 HB1 PHE 37 4.761 6.350 3.177 263 HD1 PHE 37 HD1 PHE 37 5.701 5.104 1.131 264 HD2 PHE 37 HD2 PHE 37 4.130 3.153 4.567 265 HE1 PHE 37 HE1 PHE 37 5.349 3.057 -0.197 266 HE2 PHE 37 HE2 PHE 37 3.777 1.120 3.260 267 HZ PHE 37 HZ PHE 37 4.583 1.078 0.797 268 H ALA 38 HN ALA 38 5.876 7.101 6.174 269 HA ALA 38 HA ALA 38 6.175 9.698 5.046 270 HB1 ALA 38 HB1 ALA 38 4.552 9.281 6.780 271 HB2 ALA 38 HB2 ALA 38 5.714 10.492 7.327 272 HB3 ALA 38 HB3 ALA 38 5.829 8.830 7.906 273 H ASP 39 HN ASP 39 8.247 7.602 6.943 274 HA ASP 39 HA ASP 39 10.151 9.602 7.657 275 HB2 ASP 39 HB2 ASP 39 9.945 7.461 8.874 276 HB3 ASP 39 HB1 ASP 39 10.517 6.606 7.447 277 H MET 40 HN MET 40 9.675 7.539 4.929 278 HA MET 40 HA MET 40 12.318 7.973 3.863 279 HB2 MET 40 HB2 MET 40 9.892 6.515 2.885 280 HB3 MET 40 HB1 MET 40 11.251 6.823 1.808 281 HG2 MET 40 HG2 MET 40 11.591 5.527 4.483 282 HG3 MET 40 HG1 MET 40 11.233 4.600 3.026 283 HE1 MET 40 HE1 MET 40 13.809 4.304 5.023 284 HE2 MET 40 HE2 MET 40 15.075 3.982 3.839 285 HE3 MET 40 HE3 MET 40 13.496 3.213 3.673 286 H GLY 41 HN GLY 41 9.282 9.572 3.690 287 HA2 GLY 41 HA2 GLY 41 9.247 11.865 2.900 288 HA3 GLY 41 HA1 GLY 41 10.480 11.432 1.722 289 H ILE 42 HN ILE 42 7.665 9.453 2.316 290 HA ILE 42 HA ILE 42 6.799 9.736 -0.410 291 HB ILE 42 HB ILE 42 5.602 8.259 1.945 292 HG12 ILE 42 HG12 ILE 42 7.798 7.495 1.047 293 HG13 ILE 42 HG11 ILE 42 6.515 6.290 0.921 294 HG21 ILE 42 HG21 ILE 42 4.721 8.315 -0.929 295 HG22 ILE 42 HG22 ILE 42 3.785 8.779 0.496 296 HG23 ILE 42 HG23 ILE 42 4.220 7.088 0.236 297 HD11 ILE 42 HD11 ILE 42 7.542 8.043 -1.302 298 HD12 ILE 42 HD12 ILE 42 6.245 6.856 -1.446 299 HD13 ILE 42 HD13 ILE 42 7.886 6.328 -1.074 300 H ASP 43 HN ASP 43 5.855 11.605 -0.971 301 HA ASP 43 HA ASP 43 4.180 13.124 0.828 302 HB2 ASP 43 HB2 ASP 43 4.735 13.394 -2.139 303 HB3 ASP 43 HB1 ASP 43 3.698 14.493 -1.245 304 H SER 44 HN SER 44 1.934 13.834 -0.115 305 HA SER 44 HA SER 44 0.366 11.468 -0.346 306 HB2 SER 44 HB2 SER 44 -1.563 12.941 -0.530 307 HB3 SER 44 HB1 SER 44 -0.496 13.529 0.743 308 H LEU 45 HN LEU 45 1.910 13.591 -2.566 309 HA LEU 45 HA LEU 45 0.625 13.024 -4.966 310 HB2 LEU 45 HB2 LEU 45 2.549 14.605 -4.640 311 HB3 LEU 45 HB1 LEU 45 3.616 13.223 -4.463 312 HG LEU 45 HG LEU 45 3.624 14.444 -6.693 313 HD11 LEU 45 HD11 LEU 45 3.122 11.473 -6.700 314 HD12 LEU 45 HD12 LEU 45 4.669 12.268 -6.405 315 HD13 LEU 45 HD13 LEU 45 3.899 12.393 -7.988 316 HD21 LEU 45 HD21 LEU 45 1.202 14.671 -6.931 317 HD22 LEU 45 HD22 LEU 45 1.053 12.918 -7.053 318 HD23 LEU 45 HD23 LEU 45 1.915 13.819 -8.301 319 H SER 46 HN SER 46 3.456 11.299 -3.626 320 HA SER 46 HA SER 46 3.274 9.143 -5.418 321 HB2 SER 46 HB2 SER 46 4.518 9.045 -2.665 322 HB3 SER 46 HB1 SER 46 4.966 8.102 -4.089 323 HG SER 46 HG SER 46 6.162 9.700 -4.749 324 H SER 47 HN SER 47 2.016 9.634 -2.168 325 HA SER 47 HA SER 47 1.111 7.052 -1.637 326 HB2 SER 47 HB2 SER 47 -0.075 9.693 -0.768 327 HB3 SER 47 HB1 SER 47 -0.417 8.131 -0.027 328 HG SER 47 HG SER 47 1.981 9.622 -0.020 329 H MET 48 HN MET 48 -0.457 9.718 -3.348 330 HA MET 48 HA MET 48 -2.968 8.383 -3.655 331 HB2 MET 48 HB2 MET 48 -2.536 10.896 -3.795 332 HB3 MET 48 HB1 MET 48 -1.883 10.597 -5.397 333 HG2 MET 48 HG2 MET 48 -4.181 11.354 -5.549 334 HG3 MET 48 HG1 MET 48 -4.044 9.687 -6.108 335 HE1 MET 48 HE1 MET 48 -5.260 12.061 -3.206 336 HE2 MET 48 HE2 MET 48 -4.047 11.049 -2.421 337 HE3 MET 48 HE3 MET 48 -5.747 10.886 -1.984 338 H VAL 49 HN VAL 49 -0.085 8.804 -5.594 339 HA VAL 49 HA VAL 49 -1.048 7.620 -7.963 340 HB VAL 49 HB VAL 49 1.775 7.938 -6.893 341 HG11 VAL 49 HG11 VAL 49 1.520 6.022 -8.506 342 HG12 VAL 49 HG12 VAL 49 2.645 7.282 -8.998 343 HG13 VAL 49 HG13 VAL 49 1.042 7.204 -9.723 344 HG21 VAL 49 HG21 VAL 49 1.934 9.698 -8.632 345 HG22 VAL 49 HG22 VAL 49 0.694 10.055 -7.434 346 HG23 VAL 49 HG23 VAL 49 0.233 9.446 -9.023 347 H ILE 50 HN ILE 50 0.918 6.213 -5.296 348 HA ILE 50 HA ILE 50 1.050 3.598 -6.185 349 HB ILE 50 HB ILE 50 0.773 4.571 -3.335 350 HG12 ILE 50 HG12 ILE 50 3.220 3.842 -4.962 351 HG13 ILE 50 HG11 ILE 50 2.716 5.482 -4.566 352 HG21 ILE 50 HG21 ILE 50 1.766 2.418 -2.697 353 HG22 ILE 50 HG22 ILE 50 1.709 1.901 -4.383 354 HG23 ILE 50 HG23 ILE 50 0.212 2.206 -3.504 355 HD11 ILE 50 HD11 ILE 50 4.523 4.730 -3.126 356 HD12 ILE 50 HD12 ILE 50 3.541 3.366 -2.586 357 HD13 ILE 50 HD13 ILE 50 3.050 5.016 -2.202 358 H GLY 51 HN GLY 51 -1.412 5.006 -4.009 359 HA2 GLY 51 HA2 GLY 51 -3.049 2.737 -3.822 360 HA3 GLY 51 HA1 GLY 51 -3.592 4.394 -3.591 361 H SER 52 HN SER 52 -3.012 5.343 -6.212 362 HA SER 52 HA SER 52 -5.265 4.496 -7.670 363 HB2 SER 52 HB2 SER 52 -3.716 6.650 -7.925 364 HB3 SER 52 HB1 SER 52 -2.958 5.649 -9.170 365 HG SER 52 HG SER 52 -4.675 5.795 -10.389 366 H ARG 53 HN ARG 53 -1.833 3.645 -8.016 367 HA ARG 53 HA ARG 53 -2.167 1.997 -10.275 368 HB2 ARG 53 HB2 ARG 53 -0.037 1.796 -8.147 369 HB3 ARG 53 HB1 ARG 53 0.023 1.058 -9.740 370 HG2 ARG 53 HG2 ARG 53 -0.221 3.436 -10.638 371 HG3 ARG 53 HG1 ARG 53 0.211 3.949 -9.005 372 HD2 ARG 53 HD2 ARG 53 2.353 3.777 -9.740 373 HD3 ARG 53 HD1 ARG 53 2.106 2.036 -9.535 374 HE ARG 53 HE ARG 53 1.212 2.313 -12.011 375 HH11 ARG 53 HH11 ARG 53 4.053 3.766 -10.535 376 HH12 ARG 53 HH12 ARG 53 4.982 3.713 -12.001 377 HH21 ARG 53 HH21 ARG 53 2.423 2.239 -13.911 378 HH22 ARG 53 HH22 ARG 53 4.059 2.824 -13.937 379 H PHE 54 HN PHE 54 -2.573 1.385 -6.854 380 HA PHE 54 HA PHE 54 -2.727 -1.409 -6.905 381 HB2 PHE 54 HB2 PHE 54 -4.253 0.670 -5.329 382 HB3 PHE 54 HB1 PHE 54 -4.518 -1.051 -5.104 383 HD1 PHE 54 HD1 PHE 54 -1.251 -0.888 -5.917 384 HD2 PHE 54 HD2 PHE 54 -3.824 0.183 -2.694 385 HE1 PHE 54 HE1 PHE 54 0.655 -0.950 -4.374 386 HE2 PHE 54 HE2 PHE 54 -1.907 0.107 -1.149 387 HZ PHE 54 HZ PHE 54 0.167 -0.479 -1.804 388 H ARG 55 HN ARG 55 -5.079 1.071 -7.795 389 HA ARG 55 HA ARG 55 -7.171 -0.854 -8.289 390 HB2 ARG 55 HB2 ARG 55 -7.195 2.054 -9.124 391 HB3 ARG 55 HB1 ARG 55 -8.562 1.006 -8.799 392 HG2 ARG 55 HG2 ARG 55 -8.108 1.020 -6.452 393 HG3 ARG 55 HG1 ARG 55 -6.585 1.877 -6.702 394 HD2 ARG 55 HD2 ARG 55 -9.333 2.958 -7.336 395 HD3 ARG 55 HD1 ARG 55 -8.382 3.364 -5.905 396 HE ARG 55 HE ARG 55 -6.805 3.936 -8.125 397 HH11 ARG 55 HH11 ARG 55 -9.833 5.051 -6.758 398 HH12 ARG 55 HH12 ARG 55 -9.678 6.657 -7.393 399 HH21 ARG 55 HH21 ARG 55 -6.588 6.080 -8.952 400 HH22 ARG 55 HH22 ARG 55 -7.849 7.236 -8.639 401 H GLU 56 HN GLU 56 -4.849 1.004 -10.191 402 HA GLU 56 HA GLU 56 -6.192 0.308 -12.660 403 HB2 GLU 56 HB2 GLU 56 -3.743 2.000 -12.140 404 HB3 GLU 56 HB1 GLU 56 -4.502 1.784 -13.713 405 HG2 GLU 56 HG2 GLU 56 -6.558 2.793 -12.873 406 HG3 GLU 56 HG1 GLU 56 -5.819 2.994 -11.288 407 H ASP 57 HN ASP 57 -3.015 -0.223 -11.173 408 HA ASP 57 HA ASP 57 -2.138 -1.900 -13.350 409 HB2 ASP 57 HB2 ASP 57 -0.891 -1.033 -10.754 410 HB3 ASP 57 HB1 ASP 57 -0.167 -2.312 -11.716 411 H LEU 58 HN LEU 58 -3.051 -2.389 -9.952 412 HA LEU 58 HA LEU 58 -2.625 -5.270 -10.264 413 HB2 LEU 58 HB2 LEU 58 -2.791 -3.421 -7.938 414 HB3 LEU 58 HB1 LEU 58 -3.321 -5.073 -7.693 415 HG LEU 58 HG LEU 58 -1.108 -5.880 -8.445 416 HD11 LEU 58 HD11 LEU 58 -0.336 -2.971 -8.427 417 HD12 LEU 58 HD12 LEU 58 -0.494 -3.981 -9.862 418 HD13 LEU 58 HD13 LEU 58 0.747 -4.343 -8.663 419 HD21 LEU 58 HD21 LEU 58 -1.036 -3.903 -6.175 420 HD22 LEU 58 HD22 LEU 58 0.098 -5.230 -6.438 421 HD23 LEU 58 HD23 LEU 58 -1.593 -5.573 -6.079 422 H GLY 59 HN GLY 59 -5.230 -3.005 -9.996 423 HA2 GLY 59 HA2 GLY 59 -7.465 -3.441 -10.519 424 HA3 GLY 59 HA1 GLY 59 -7.117 -5.162 -10.474 425 H LEU 60 HN LEU 60 -6.305 -2.955 -7.869 426 HA LEU 60 HA LEU 60 -7.986 -4.496 -6.071 427 HB2 LEU 60 HB2 LEU 60 -6.038 -2.250 -5.580 428 HB3 LEU 60 HB1 LEU 60 -6.949 -3.045 -4.314 429 HG LEU 60 HG LEU 60 -4.901 -4.354 -6.105 430 HD11 LEU 60 HD11 LEU 60 -4.821 -3.573 -3.187 431 HD12 LEU 60 HD12 LEU 60 -3.858 -2.881 -4.492 432 HD13 LEU 60 HD13 LEU 60 -3.601 -4.556 -4.002 433 HD21 LEU 60 HD21 LEU 60 -6.408 -5.498 -3.755 434 HD22 LEU 60 HD22 LEU 60 -5.223 -6.332 -4.761 435 HD23 LEU 60 HD23 LEU 60 -6.768 -5.840 -5.447 436 H ASP 61 HN ASP 61 -10.029 -3.891 -5.609 437 HA ASP 61 HA ASP 61 -11.000 -1.299 -6.427 438 HB2 ASP 61 HB2 ASP 61 -12.254 -3.525 -6.663 439 HB3 ASP 61 HB1 ASP 61 -12.554 -3.410 -4.930 440 H LEU 62 HN LEU 62 -9.724 -0.037 -4.978 441 HA LEU 62 HA LEU 62 -10.257 -0.263 -2.138 442 HB2 LEU 62 HB2 LEU 62 -8.525 1.635 -3.712 443 HB3 LEU 62 HB1 LEU 62 -8.640 1.623 -1.963 444 HG LEU 62 HG LEU 62 -7.584 -0.622 -3.683 445 HD11 LEU 62 HD11 LEU 62 -6.104 1.307 -3.635 446 HD12 LEU 62 HD12 LEU 62 -5.426 -0.025 -2.697 447 HD13 LEU 62 HD13 LEU 62 -6.185 1.339 -1.874 448 HD21 LEU 62 HD21 LEU 62 -7.687 -0.326 -0.683 449 HD22 LEU 62 HD22 LEU 62 -6.899 -1.632 -1.568 450 HD23 LEU 62 HD23 LEU 62 -8.653 -1.448 -1.646 451 H GLY 63 HN GLY 63 -9.848 2.874 -3.572 452 HA2 GLY 63 HA2 GLY 63 -12.337 3.838 -4.023 453 HA3 GLY 63 HA1 GLY 63 -12.184 3.885 -2.271 454 HA PRO 64 HA PRO 64 -9.998 7.540 -4.250 455 HB2 PRO 64 HB2 PRO 64 -11.843 9.492 -4.065 456 HB3 PRO 64 HB1 PRO 64 -11.777 8.364 -5.431 457 HG2 PRO 64 HG2 PRO 64 -13.601 8.386 -3.081 458 HG3 PRO 64 HG1 PRO 64 -13.949 7.956 -4.762 459 HD2 PRO 64 HD2 PRO 64 -13.480 6.153 -2.699 460 HD3 PRO 64 HD1 PRO 64 -13.354 5.790 -4.429 461 H GLU 65 HN GLU 65 -11.575 6.920 -1.299 462 HA GLU 65 HA GLU 65 -10.574 9.296 0.039 463 HB2 GLU 65 HB2 GLU 65 -12.148 6.916 1.009 464 HB3 GLU 65 HB1 GLU 65 -11.526 8.136 2.106 465 HG2 GLU 65 HG2 GLU 65 -13.824 8.598 1.657 466 HG3 GLU 65 HG1 GLU 65 -12.844 9.842 0.885 467 H PHE 66 HN PHE 66 -9.104 6.565 -0.950 468 HA PHE 66 HA PHE 66 -7.671 6.085 1.548 469 HB2 PHE 66 HB2 PHE 66 -8.612 4.151 0.314 470 HB3 PHE 66 HB1 PHE 66 -7.579 4.544 -1.051 471 HD1 PHE 66 HD2 PHE 66 -7.572 3.363 2.452 472 HD2 PHE 66 HD1 PHE 66 -5.319 3.905 -1.119 473 HE1 PHE 66 HE2 PHE 66 -5.765 1.988 3.385 474 HE2 PHE 66 HE1 PHE 66 -3.515 2.527 -0.195 475 HZ PHE 66 HZ PHE 66 -3.727 1.561 2.059 476 H SER 67 HN SER 67 -5.790 7.020 1.909 477 HA SER 67 HA SER 67 -3.914 7.369 -0.318 478 HB2 SER 67 HB2 SER 67 -5.078 9.544 0.014 479 HB3 SER 67 HB1 SER 67 -4.547 9.545 1.695 480 HG SER 67 HG SER 67 -3.263 10.643 -0.160 481 H LEU 68 HN LEU 68 -1.987 6.567 0.218 482 HA LEU 68 HA LEU 68 -1.495 5.242 2.616 483 HB2 LEU 68 HB2 LEU 68 0.495 6.326 0.636 484 HB3 LEU 68 HB1 LEU 68 0.889 5.212 1.924 485 HG LEU 68 HG LEU 68 -0.749 4.700 -0.537 486 HD11 LEU 68 HD11 LEU 68 1.630 4.455 -0.801 487 HD12 LEU 68 HD12 LEU 68 0.897 2.849 -0.747 488 HD13 LEU 68 HD13 LEU 68 1.730 3.488 0.672 489 HD21 LEU 68 HD21 LEU 68 -1.228 2.486 0.372 490 HD22 LEU 68 HD22 LEU 68 -1.954 3.754 1.361 491 HD23 LEU 68 HD23 LEU 68 -0.480 2.950 1.900 492 H PHE 69 HN PHE 69 -0.979 8.556 1.775 493 HA PHE 69 HA PHE 69 1.091 9.133 3.611 494 HB2 PHE 69 HB2 PHE 69 0.467 10.448 1.543 495 HB3 PHE 69 HB1 PHE 69 -0.910 11.083 2.436 496 HD1 PHE 69 HD1 PHE 69 2.325 10.487 4.068 497 HD2 PHE 69 HD2 PHE 69 -0.200 13.337 2.179 498 HE1 PHE 69 HE1 PHE 69 3.738 12.307 4.942 499 HE2 PHE 69 HE2 PHE 69 1.199 15.165 3.054 500 HZ PHE 69 HZ PHE 69 3.168 14.647 4.437 501 H ILE 70 HN ILE 70 -2.270 8.638 4.014 502 HA ILE 70 HA ILE 70 -2.080 9.745 6.742 503 HB ILE 70 HB ILE 70 -4.529 9.831 4.941 504 HG12 ILE 70 HG12 ILE 70 -2.813 12.025 6.131 505 HG13 ILE 70 HG11 ILE 70 -2.893 11.571 4.435 506 HG21 ILE 70 HG21 ILE 70 -5.167 9.308 7.226 507 HG22 ILE 70 HG22 ILE 70 -5.659 10.943 6.786 508 HG23 ILE 70 HG23 ILE 70 -4.249 10.696 7.815 509 HD11 ILE 70 HD11 ILE 70 -5.160 12.730 6.039 510 HD12 ILE 70 HD12 ILE 70 -5.221 12.281 4.334 511 HD13 ILE 70 HD13 ILE 70 -4.168 13.592 4.865 512 H ASP 71 HN ASP 71 -3.343 7.234 4.625 513 HA ASP 71 HA ASP 71 -4.654 5.880 6.840 514 HB2 ASP 71 HB2 ASP 71 -4.532 5.228 3.881 515 HB3 ASP 71 HB1 ASP 71 -5.412 4.291 5.074 516 H CYS 72 HN CYS 72 -1.563 6.051 6.077 517 HA CYS 72 HA CYS 72 -0.955 3.395 6.988 518 HB2 CYS 72 HB2 CYS 72 -0.147 4.285 4.212 519 HB3 CYS 72 HB1 CYS 72 0.598 2.935 5.063 520 HG CYS 72 HG CYS 72 -2.657 2.528 5.084 521 H THR 73 HN THR 73 1.285 3.190 7.562 522 HA THR 73 HA THR 73 2.711 5.758 7.718 523 HB THR 73 HB THR 73 3.331 5.196 10.048 524 HG1 THR 73 HG1 THR 73 1.326 3.287 10.309 525 HG21 THR 73 HG21 THR 73 0.384 5.253 9.420 526 HG22 THR 73 HG22 THR 73 1.440 6.638 9.716 527 HG23 THR 73 HG23 THR 73 1.051 5.526 11.032 528 H THR 74 HN THR 74 3.433 2.482 8.934 529 HA THR 74 HA THR 74 5.985 2.511 7.576 530 HB THR 74 HB THR 74 6.353 0.312 8.598 531 HG1 THR 74 HG1 THR 74 4.460 -0.146 10.222 532 HG21 THR 74 HG21 THR 74 6.861 2.287 9.928 533 HG22 THR 74 HG22 THR 74 6.243 1.006 10.970 534 HG23 THR 74 HG23 THR 74 5.197 2.350 10.512 535 H VAL 75 HN VAL 75 6.302 -0.119 6.732 536 HA VAL 75 HA VAL 75 4.810 0.021 4.246 537 HB VAL 75 HB VAL 75 6.607 -2.287 4.771 538 HG11 VAL 75 HG11 VAL 75 5.562 -2.060 2.615 539 HG12 VAL 75 HG12 VAL 75 7.301 -1.796 2.454 540 HG13 VAL 75 HG13 VAL 75 6.199 -0.422 2.446 541 HG21 VAL 75 HG21 VAL 75 7.876 -0.506 5.807 542 HG22 VAL 75 HG22 VAL 75 7.648 0.517 4.388 543 HG23 VAL 75 HG23 VAL 75 8.617 -0.953 4.271 544 H ARG 76 HN ARG 76 5.269 -2.081 6.991 545 HA ARG 76 HA ARG 76 3.542 -4.145 6.311 546 HB2 ARG 76 HB2 ARG 76 5.111 -4.369 8.119 547 HB3 ARG 76 HB1 ARG 76 4.341 -3.061 9.006 548 HG2 ARG 76 HG2 ARG 76 2.475 -4.343 9.511 549 HG3 ARG 76 HG1 ARG 76 2.841 -5.541 8.267 550 HD2 ARG 76 HD2 ARG 76 4.408 -5.041 10.780 551 HD3 ARG 76 HD1 ARG 76 3.351 -6.414 10.475 552 HE ARG 76 HE ARG 76 5.195 -6.381 8.420 553 HH11 ARG 76 HH11 ARG 76 5.289 -6.778 11.911 554 HH12 ARG 76 HH12 ARG 76 6.750 -7.725 11.879 555 HH21 ARG 76 HH21 ARG 76 7.087 -7.607 8.371 556 HH22 ARG 76 HH22 ARG 76 7.769 -8.208 9.859 557 H ALA 77 HN ALA 77 2.914 -0.997 7.729 558 HA ALA 77 HA ALA 77 0.280 -1.312 8.538 559 HB1 ALA 77 HB1 ALA 77 1.527 1.101 7.226 560 HB2 ALA 77 HB2 ALA 77 1.535 0.729 8.949 561 HB3 ALA 77 HB3 ALA 77 0.014 1.093 8.131 562 H LEU 78 HN LEU 78 1.598 -0.895 5.309 563 HA LEU 78 HA LEU 78 -0.931 -0.655 3.984 564 HB2 LEU 78 HB2 LEU 78 1.643 -0.155 3.275 565 HB3 LEU 78 HB1 LEU 78 1.398 -1.699 2.493 566 HG LEU 78 HG LEU 78 -0.440 0.639 2.067 567 HD11 LEU 78 HD11 LEU 78 0.849 1.010 -0.029 568 HD12 LEU 78 HD12 LEU 78 2.059 -0.130 0.561 569 HD13 LEU 78 HD13 LEU 78 1.759 1.369 1.436 570 HD21 LEU 78 HD21 LEU 78 0.095 -1.867 0.483 571 HD22 LEU 78 HD22 LEU 78 -0.940 -0.538 -0.030 572 HD23 LEU 78 HD23 LEU 78 -1.366 -1.485 1.396 573 H LYS 79 HN LYS 79 1.491 -3.210 4.292 574 HA LYS 79 HA LYS 79 0.303 -5.366 3.057 575 HB2 LYS 79 HB2 LYS 79 1.665 -5.584 5.728 576 HB3 LYS 79 HB1 LYS 79 1.668 -6.751 4.414 577 HG2 LYS 79 HG2 LYS 79 2.895 -4.049 4.042 578 HG3 LYS 79 HG1 LYS 79 3.787 -5.317 4.874 579 HD2 LYS 79 HD2 LYS 79 3.407 -6.768 2.871 580 HD3 LYS 79 HD1 LYS 79 2.709 -5.363 2.062 581 HE2 LYS 79 HE2 LYS 79 5.040 -5.608 1.426 582 HE3 LYS 79 HE1 LYS 79 4.822 -4.142 2.393 583 HZ1 LYS 79 HZ1 LYS 79 5.770 -5.203 4.285 584 HZ2 LYS 79 HZ2 LYS 79 6.808 -5.518 2.986 585 HZ3 LYS 79 HZ3 LYS 79 5.756 -6.726 3.538 586 H ASP 80 HN ASP 80 0.029 -4.469 6.469 587 HA ASP 80 HA ASP 80 -1.821 -6.301 7.359 588 HB2 ASP 80 HB2 ASP 80 -0.614 -4.715 8.794 589 HB3 ASP 80 HB1 ASP 80 -1.575 -3.390 8.154 590 H PHE 81 HN PHE 81 -2.455 -3.216 5.781 591 HA PHE 81 HA PHE 81 -5.238 -3.184 6.215 592 HB2 PHE 81 HB2 PHE 81 -4.039 -1.144 5.653 593 HB3 PHE 81 HB1 PHE 81 -3.605 -1.802 4.078 594 HD1 PHE 81 HD1 PHE 81 -6.457 -0.681 6.153 595 HD2 PHE 81 HD2 PHE 81 -5.060 -1.628 2.246 596 HE1 PHE 81 HE1 PHE 81 -8.505 0.283 5.191 597 HE2 PHE 81 HE2 PHE 81 -7.107 -0.666 1.276 598 HZ PHE 81 HZ PHE 81 -8.877 0.210 2.769 599 H MET 82 HN MET 82 -3.282 -4.513 3.627 600 HA MET 82 HA MET 82 -5.240 -4.792 1.659 601 HB2 MET 82 HB2 MET 82 -3.036 -6.788 2.072 602 HB3 MET 82 HB1 MET 82 -3.777 -6.288 0.559 603 HG2 MET 82 HG2 MET 82 -2.816 -4.015 0.912 604 HG3 MET 82 HG1 MET 82 -1.954 -4.658 2.310 605 HE1 MET 82 HE1 MET 82 -1.609 -3.673 -1.189 606 HE2 MET 82 HE2 MET 82 -2.568 -5.117 -1.531 607 HE3 MET 82 HE3 MET 82 -0.886 -5.025 -2.062 608 H LEU 83 HN LEU 83 -4.196 -7.175 4.088 609 HA LEU 83 HA LEU 83 -6.393 -8.906 3.357 610 HB2 LEU 83 HB2 LEU 83 -4.329 -9.149 5.561 611 HB3 LEU 83 HB1 LEU 83 -5.531 -10.366 5.199 612 HG LEU 83 HG LEU 83 -4.456 -10.497 2.868 613 HD11 LEU 83 HD11 LEU 83 -3.181 -8.442 2.946 614 HD12 LEU 83 HD12 LEU 83 -2.105 -9.827 2.752 615 HD13 LEU 83 HD13 LEU 83 -2.258 -9.044 4.325 616 HD21 LEU 83 HD21 LEU 83 -2.688 -12.010 3.640 617 HD22 LEU 83 HD22 LEU 83 -4.176 -12.260 4.553 618 HD23 LEU 83 HD23 LEU 83 -2.840 -11.361 5.274 619 H GLY 84 HN GLY 84 -5.537 -6.609 5.842 620 HA2 GLY 84 HA2 GLY 84 -6.911 -5.456 7.319 621 HA3 GLY 84 HA1 GLY 84 -8.290 -6.193 6.512 622 H SER 85 HN SER 85 -9.417 -6.683 8.352 623 HA SER 85 HA SER 85 -8.176 -8.579 10.207 624 HB2 SER 85 HB2 SER 85 -10.753 -7.008 10.481 625 HB3 SER 85 HB1 SER 85 -9.974 -7.973 11.734 626 HG SER 85 HG SER 85 -8.120 -6.356 10.932 627 H GLY 86 HN GLY 86 -8.893 -9.430 7.622 628 HA2 GLY 86 HA2 GLY 86 -11.393 -10.928 8.067 629 HA3 GLY 86 HA1 GLY 86 -10.774 -10.470 6.490 630 H ASP 87 HN ASP 87 -8.718 -11.761 9.013 631 HA ASP 87 HA ASP 87 -7.591 -13.775 7.449 632 HB2 ASP 87 HB2 ASP 87 -7.867 -13.761 10.464 633 HB3 ASP 87 HB1 ASP 87 -6.713 -14.708 9.531 634 H ALA 88 HN ALA 88 -9.796 -14.246 10.184 635 HA ALA 88 HA ALA 88 -11.234 -16.307 8.705 636 HB1 ALA 88 HB1 ALA 88 -10.053 -16.797 11.444 637 HB2 ALA 88 HB2 ALA 88 -9.497 -17.530 9.938 638 HB3 ALA 88 HB3 ALA 88 -11.107 -17.898 10.556 639 H GLY 89 HN GLY 89 -12.830 -14.648 8.669 640 HA2 GLY 89 HA2 GLY 89 -14.638 -14.728 10.874 641 HA3 GLY 89 HA1 GLY 89 -13.805 -13.180 10.781 642 H282 PNS 90 H28A PNS 44 -0.643 14.521 -3.668 643 H281 PNS 90 H28B PNS 44 -2.370 14.162 -3.650 644 H303 PNS 90 H30A PNS 44 -0.484 14.124 -6.026 645 H302 PNS 90 H30B PNS 44 -1.584 14.903 -7.163 646 H301 PNS 90 H30C PNS 44 -2.194 13.687 -6.042 647 H313 PNS 90 H31A PNS 44 -3.313 16.532 -6.299 648 H312 PNS 90 H31B PNS 44 -3.441 16.794 -4.558 649 H311 PNS 90 H31C PNS 44 -3.888 15.236 -5.254 650 H32 PNS 90 H32A PNS 44 -1.012 17.509 -4.559 651 H33 PNS 90 H33A PNS 44 1.055 16.344 -5.888 652 H36 PNS 90 H36A PNS 44 -2.442 18.438 -6.217 653 H372 PNS 90 H37A PNS 44 -1.330 19.790 -8.240 654 H371 PNS 90 H37B PNS 44 -1.734 18.261 -9.012 655 H382 PNS 90 H38A PNS 44 -3.482 19.939 -9.359 656 H381 PNS 90 H38B PNS 44 -4.073 18.555 -8.445 657 H41 PNS 90 H41A PNS 44 -5.580 20.650 -8.378 658 H422 PNS 90 H42A PNS 44 -5.761 21.367 -5.633 659 H421 PNS 90 H42B PNS 44 -5.246 22.740 -6.614 660 H431 PNS 90 H43A PNS 44 -7.725 21.093 -7.095 661 H432 PNS 90 H43B PNS 44 -7.234 22.532 -7.988 662 H44 PNS 90 H1 PNS 44 -7.530 24.254 -5.782 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 -14.383 2.833 8.809 2 H2 ALA 1 HT2 ALA 1 -14.123 1.360 9.608 3 H3 ALA 1 HT3 ALA 1 -14.397 2.773 10.505 4 HA ALA 1 HA ALA 1 -16.360 1.393 10.473 5 HB1 ALA 1 HB1 ALA 1 -16.602 3.828 10.555 6 HB2 ALA 1 HB2 ALA 1 -17.941 3.071 9.695 7 HB3 ALA 1 HB3 ALA 1 -16.657 3.879 8.794 8 H MET 2 HN MET 2 -15.560 2.566 7.200 9 HA MET 2 HA MET 2 -16.952 0.242 6.084 10 HB2 MET 2 HB2 MET 2 -15.854 2.757 4.806 11 HB3 MET 2 HB1 MET 2 -16.410 1.383 3.862 12 HG2 MET 2 HG2 MET 2 -18.179 2.935 3.913 13 HG3 MET 2 HG1 MET 2 -18.631 1.621 4.994 14 HE1 MET 2 HE1 MET 2 -20.544 3.138 6.063 15 HE2 MET 2 HE2 MET 2 -20.097 4.427 4.945 16 HE3 MET 2 HE3 MET 2 -20.261 4.770 6.667 17 H ALA 3 HN ALA 3 -15.841 -1.402 5.051 18 HA ALA 3 HA ALA 3 -14.155 -2.693 4.288 19 HB1 ALA 3 HB1 ALA 3 -12.424 -0.228 4.308 20 HB2 ALA 3 HB2 ALA 3 -13.442 -0.748 2.966 21 HB3 ALA 3 HB3 ALA 3 -12.089 -1.753 3.485 22 H LYS 4 HN LYS 4 -12.948 -4.123 5.301 23 HA LYS 4 HA LYS 4 -11.365 -3.385 7.629 24 HB2 LYS 4 HB2 LYS 4 -13.713 -3.847 8.425 25 HB3 LYS 4 HB1 LYS 4 -13.530 -5.485 7.819 26 HG2 LYS 4 HG2 LYS 4 -11.696 -5.855 9.394 27 HG3 LYS 4 HG1 LYS 4 -11.889 -4.206 9.999 28 HD2 LYS 4 HD2 LYS 4 -14.243 -4.769 10.576 29 HD3 LYS 4 HD1 LYS 4 -13.914 -6.436 10.112 30 HE2 LYS 4 HE2 LYS 4 -12.171 -6.560 11.842 31 HE3 LYS 4 HE1 LYS 4 -12.532 -4.901 12.316 32 HZ1 LYS 4 HZ1 LYS 4 -14.832 -5.650 12.799 33 HZ2 LYS 4 HZ2 LYS 4 -13.658 -6.373 13.794 34 HZ3 LYS 4 HZ3 LYS 4 -14.337 -7.249 12.511 35 H GLY 5 HN GLY 5 -9.699 -3.996 6.153 36 HA2 GLY 5 HA2 GLY 5 -8.144 -5.599 5.455 37 HA3 GLY 5 HA1 GLY 5 -9.285 -6.862 5.908 38 H VAL 6 HN VAL 6 -7.720 -5.826 3.342 39 HA VAL 6 HA VAL 6 -9.823 -5.447 1.436 40 HB VAL 6 HB VAL 6 -6.929 -6.145 0.969 41 HG11 VAL 6 HG11 VAL 6 -8.972 -5.025 -0.945 42 HG12 VAL 6 HG12 VAL 6 -8.375 -6.684 -0.951 43 HG13 VAL 6 HG13 VAL 6 -7.276 -5.351 -1.305 44 HG21 VAL 6 HG21 VAL 6 -6.607 -3.773 0.556 45 HG22 VAL 6 HG22 VAL 6 -7.247 -4.028 2.180 46 HG23 VAL 6 HG23 VAL 6 -8.312 -3.469 0.891 47 H GLY 7 HN GLY 7 -7.465 -8.100 1.795 48 HA2 GLY 7 HA2 GLY 7 -8.202 -10.400 1.919 49 HA3 GLY 7 HA1 GLY 7 -9.571 -9.966 0.902 50 H VAL 8 HN VAL 8 -6.058 -10.302 0.948 51 HA VAL 8 HA VAL 8 -6.156 -10.767 -1.960 52 HB VAL 8 HB VAL 8 -4.146 -9.597 -2.331 53 HG11 VAL 8 HG11 VAL 8 -5.655 -8.018 -0.261 54 HG12 VAL 8 HG12 VAL 8 -6.008 -8.095 -1.989 55 HG13 VAL 8 HG13 VAL 8 -4.507 -7.361 -1.424 56 HG21 VAL 8 HG21 VAL 8 -2.731 -10.422 -0.612 57 HG22 VAL 8 HG22 VAL 8 -3.712 -9.669 0.649 58 HG23 VAL 8 HG23 VAL 8 -2.767 -8.665 -0.449 59 H SER 9 HN SER 9 -4.493 -12.193 -2.796 60 HA SER 9 HA SER 9 -3.591 -14.185 -0.879 61 HB2 SER 9 HB2 SER 9 -2.807 -15.360 -2.982 62 HB3 SER 9 HB1 SER 9 -4.546 -15.079 -2.903 63 HG SER 9 HG SER 9 -4.248 -14.175 -4.783 64 H ASN 10 HN ASN 10 -1.198 -15.022 -1.743 65 HA ASN 10 HA ASN 10 0.553 -12.950 -0.885 66 HB2 ASN 10 HB2 ASN 10 1.148 -15.664 -2.093 67 HB3 ASN 10 HB1 ASN 10 2.373 -14.567 -1.473 68 HD21 ASN 10 HD21 ASN 10 3.064 -15.963 0.091 69 HD22 ASN 10 HD22 ASN 10 2.128 -16.332 1.496 70 H GLU 11 HN GLU 11 -0.624 -14.027 -3.907 71 HA GLU 11 HA GLU 11 1.281 -13.028 -5.681 72 HB2 GLU 11 HB2 GLU 11 -0.419 -14.416 -6.557 73 HB3 GLU 11 HB1 GLU 11 -1.694 -13.475 -5.809 74 HG2 GLU 11 HG2 GLU 11 -0.133 -11.960 -7.736 75 HG3 GLU 11 HG1 GLU 11 -0.948 -13.355 -8.440 76 H LYS 12 HN LYS 12 -1.478 -11.470 -4.161 77 HA LYS 12 HA LYS 12 -0.998 -8.958 -5.430 78 HB2 LYS 12 HB2 LYS 12 -2.913 -10.036 -3.495 79 HB3 LYS 12 HB1 LYS 12 -2.558 -8.311 -3.341 80 HG2 LYS 12 HG2 LYS 12 -3.269 -7.828 -5.474 81 HG3 LYS 12 HG1 LYS 12 -3.086 -9.490 -6.020 82 HD2 LYS 12 HD2 LYS 12 -5.008 -10.085 -4.525 83 HD3 LYS 12 HD1 LYS 12 -5.241 -8.346 -4.260 84 HE2 LYS 12 HE2 LYS 12 -6.664 -9.103 -6.061 85 HE3 LYS 12 HE1 LYS 12 -5.408 -8.019 -6.664 86 HZ1 LYS 12 HZ1 LYS 12 -5.466 -10.978 -6.904 87 HZ2 LYS 12 HZ2 LYS 12 -4.130 -10.018 -7.325 88 HZ3 LYS 12 HZ3 LYS 12 -5.595 -9.841 -8.157 89 H LEU 13 HN LEU 13 0.103 -10.524 -2.547 90 HA LEU 13 HA LEU 13 1.163 -8.166 -1.322 91 HB2 LEU 13 HB2 LEU 13 0.658 -10.363 -0.169 92 HB3 LEU 13 HB1 LEU 13 2.121 -11.002 -0.881 93 HG LEU 13 HG LEU 13 3.432 -9.297 0.286 94 HD11 LEU 13 HD11 LEU 13 2.349 -7.932 2.035 95 HD12 LEU 13 HD12 LEU 13 0.772 -8.499 1.471 96 HD13 LEU 13 HD13 LEU 13 1.797 -7.529 0.412 97 HD21 LEU 13 HD21 LEU 13 3.091 -11.465 1.334 98 HD22 LEU 13 HD22 LEU 13 1.612 -10.882 2.095 99 HD23 LEU 13 HD23 LEU 13 3.169 -10.186 2.546 100 H ASP 14 HN ASP 14 2.382 -10.465 -3.734 101 HA ASP 14 HA ASP 14 5.042 -9.424 -3.664 102 HB2 ASP 14 HB2 ASP 14 3.498 -11.367 -5.340 103 HB3 ASP 14 HB1 ASP 14 4.952 -10.672 -5.991 104 H ALA 15 HN ALA 15 2.047 -8.701 -5.270 105 HA ALA 15 HA ALA 15 3.265 -7.154 -7.367 106 HB1 ALA 15 HB1 ALA 15 1.090 -8.450 -7.599 107 HB2 ALA 15 HB2 ALA 15 1.089 -6.796 -8.211 108 HB3 ALA 15 HB3 ALA 15 0.341 -7.158 -6.658 109 H VAL 16 HN VAL 16 1.802 -6.526 -4.229 110 HA VAL 16 HA VAL 16 1.503 -3.741 -4.611 111 HB VAL 16 HB VAL 16 0.281 -4.761 -2.821 112 HG11 VAL 16 HG11 VAL 16 2.940 -5.384 -1.528 113 HG12 VAL 16 HG12 VAL 16 1.838 -6.565 -2.239 114 HG13 VAL 16 HG13 VAL 16 1.351 -5.650 -0.811 115 HG21 VAL 16 HG21 VAL 16 0.911 -2.421 -2.541 116 HG22 VAL 16 HG22 VAL 16 2.410 -2.909 -1.744 117 HG23 VAL 16 HG23 VAL 16 0.852 -3.241 -0.977 118 H MET 17 HN MET 17 4.097 -5.679 -3.229 119 HA MET 17 HA MET 17 5.611 -3.536 -2.252 120 HB2 MET 17 HB2 MET 17 6.541 -6.287 -3.128 121 HB3 MET 17 HB1 MET 17 7.500 -5.140 -2.219 122 HG2 MET 17 HG2 MET 17 5.952 -5.227 -0.375 123 HG3 MET 17 HG1 MET 17 4.910 -6.314 -1.286 124 HE1 MET 17 HE1 MET 17 9.186 -7.533 -0.022 125 HE2 MET 17 HE2 MET 17 8.542 -5.910 0.236 126 HE3 MET 17 HE3 MET 17 8.833 -6.495 -1.402 127 H ARG 18 HN ARG 18 5.511 -5.026 -5.471 128 HA ARG 18 HA ARG 18 7.837 -3.778 -6.472 129 HB2 ARG 18 HB2 ARG 18 7.117 -4.384 -8.659 130 HB3 ARG 18 HB1 ARG 18 6.616 -5.685 -7.587 131 HG2 ARG 18 HG2 ARG 18 4.367 -4.899 -7.593 132 HG3 ARG 18 HG1 ARG 18 4.818 -3.450 -8.488 133 HD2 ARG 18 HD2 ARG 18 5.087 -6.274 -9.501 134 HD3 ARG 18 HD1 ARG 18 3.761 -5.184 -9.906 135 HE ARG 18 HE ARG 18 6.575 -4.593 -10.577 136 HH11 ARG 18 HH11 ARG 18 3.172 -4.644 -11.415 137 HH12 ARG 18 HH12 ARG 18 3.428 -4.025 -13.016 138 HH21 ARG 18 HH21 ARG 18 6.916 -3.775 -12.659 139 HH22 ARG 18 HH22 ARG 18 5.562 -3.530 -13.727 140 H VAL 19 HN VAL 19 4.522 -2.725 -6.123 141 HA VAL 19 HA VAL 19 4.815 -0.418 -7.808 142 HB VAL 19 HB VAL 19 2.626 -1.295 -5.891 143 HG11 VAL 19 HG11 VAL 19 2.765 1.160 -7.620 144 HG12 VAL 19 HG12 VAL 19 2.604 1.094 -5.869 145 HG13 VAL 19 HG13 VAL 19 1.283 0.538 -6.899 146 HG21 VAL 19 HG21 VAL 19 2.675 -1.078 -8.903 147 HG22 VAL 19 HG22 VAL 19 1.370 -1.719 -7.910 148 HG23 VAL 19 HG23 VAL 19 2.907 -2.570 -7.993 149 H VAL 20 HN VAL 20 4.854 -1.182 -4.407 150 HA VAL 20 HA VAL 20 5.105 1.459 -3.437 151 HB VAL 20 HB VAL 20 5.750 -1.258 -2.283 152 HG11 VAL 20 HG11 VAL 20 6.369 -0.195 -0.164 153 HG12 VAL 20 HG12 VAL 20 6.266 1.396 -0.922 154 HG13 VAL 20 HG13 VAL 20 7.496 0.247 -1.448 155 HG21 VAL 20 HG21 VAL 20 4.015 -0.561 -0.649 156 HG22 VAL 20 HG22 VAL 20 3.422 -0.625 -2.307 157 HG23 VAL 20 HG23 VAL 20 3.796 0.931 -1.565 158 H SER 21 HN SER 21 7.495 -1.001 -4.354 159 HA SER 21 HA SER 21 9.761 0.369 -3.448 160 HB2 SER 21 HB2 SER 21 9.302 -1.752 -5.451 161 HB3 SER 21 HB1 SER 21 10.911 -1.096 -5.232 162 HG SER 21 HG SER 21 10.899 -1.814 -3.141 163 H GLU 22 HN GLU 22 8.150 0.388 -6.563 164 HA GLU 22 HA GLU 22 9.923 1.991 -7.984 165 HB2 GLU 22 HB2 GLU 22 6.925 1.739 -8.162 166 HB3 GLU 22 HB1 GLU 22 7.886 2.653 -9.321 167 HG2 GLU 22 HG2 GLU 22 9.099 0.625 -9.922 168 HG3 GLU 22 HG1 GLU 22 8.150 -0.296 -8.754 169 H GLU 23 HN GLU 23 7.019 3.028 -6.207 170 HA GLU 23 HA GLU 23 7.513 5.774 -6.823 171 HB2 GLU 23 HB2 GLU 23 5.519 4.609 -4.860 172 HB3 GLU 23 HB1 GLU 23 5.445 6.199 -5.601 173 HG2 GLU 23 HG2 GLU 23 5.336 3.592 -7.087 174 HG3 GLU 23 HG1 GLU 23 3.926 4.541 -6.631 175 H SER 24 HN SER 24 8.302 3.712 -4.129 176 HA SER 24 HA SER 24 8.953 5.909 -2.363 177 HB2 SER 24 HB2 SER 24 9.839 4.153 -0.883 178 HB3 SER 24 HB1 SER 24 8.211 3.770 -1.421 179 HG SER 24 HG SER 24 8.960 2.162 -2.634 180 H GLY 25 HN GLY 25 10.696 3.602 -4.393 181 HA2 GLY 25 HA2 GLY 25 12.742 4.164 -5.527 182 HA3 GLY 25 HA1 GLY 25 13.051 5.381 -4.288 183 H ILE 26 HN ILE 26 11.901 2.393 -3.139 184 HA ILE 26 HA ILE 26 14.608 1.678 -2.223 185 HB ILE 26 HB ILE 26 12.115 0.689 -0.895 186 HG12 ILE 26 HG12 ILE 26 13.447 3.265 -0.050 187 HG13 ILE 26 HG11 ILE 26 12.069 3.254 -1.151 188 HG21 ILE 26 HG21 ILE 26 13.589 0.714 1.091 189 HG22 ILE 26 HG22 ILE 26 14.903 1.294 0.067 190 HG23 ILE 26 HG23 ILE 26 14.199 -0.297 -0.219 191 HD11 ILE 26 HD11 ILE 26 11.376 3.674 1.145 192 HD12 ILE 26 HD12 ILE 26 12.104 2.149 1.653 193 HD13 ILE 26 HD13 ILE 26 10.720 2.143 0.561 194 H ALA 27 HN ALA 27 15.387 -0.164 -3.038 195 HA ALA 27 HA ALA 27 14.213 -1.769 -4.923 196 HB1 ALA 27 HB1 ALA 27 15.997 -3.363 -4.487 197 HB2 ALA 27 HB2 ALA 27 16.315 -2.608 -2.926 198 HB3 ALA 27 HB3 ALA 27 16.618 -1.715 -4.415 199 H LEU 28 HN LEU 28 13.158 -3.693 -4.981 200 HA LEU 28 HA LEU 28 11.198 -4.286 -3.100 201 HB2 LEU 28 HB2 LEU 28 11.057 -5.009 -5.394 202 HB3 LEU 28 HB1 LEU 28 12.502 -5.981 -5.235 203 HG LEU 28 HG LEU 28 11.127 -7.334 -3.500 204 HD11 LEU 28 HD11 LEU 28 8.892 -6.050 -5.064 205 HD12 LEU 28 HD12 LEU 28 9.256 -5.729 -3.370 206 HD13 LEU 28 HD13 LEU 28 8.731 -7.337 -3.870 207 HD21 LEU 28 HD21 LEU 28 10.528 -7.405 -6.455 208 HD22 LEU 28 HD22 LEU 28 10.208 -8.716 -5.319 209 HD23 LEU 28 HD23 LEU 28 11.867 -8.209 -5.634 210 H GLU 29 HN GLU 29 14.466 -5.531 -3.431 211 HA GLU 29 HA GLU 29 14.126 -7.694 -1.589 212 HB2 GLU 29 HB2 GLU 29 16.723 -6.453 -2.482 213 HB3 GLU 29 HB1 GLU 29 16.454 -8.083 -1.882 214 HG2 GLU 29 HG2 GLU 29 15.113 -7.110 -4.371 215 HG3 GLU 29 HG1 GLU 29 16.752 -7.767 -4.406 216 H GLU 30 HN GLU 30 14.409 -4.401 -1.161 217 HA GLU 30 HA GLU 30 15.661 -4.692 1.493 218 HB2 GLU 30 HB2 GLU 30 15.365 -2.181 -0.155 219 HB3 GLU 30 HB1 GLU 30 16.178 -2.336 1.394 220 HG2 GLU 30 HG2 GLU 30 17.077 -3.816 -1.051 221 HG3 GLU 30 HG1 GLU 30 17.641 -2.200 -0.643 222 H LEU 31 HN LEU 31 12.715 -4.357 0.006 223 HA LEU 31 HA LEU 31 11.568 -2.391 1.729 224 HB2 LEU 31 HB2 LEU 31 10.631 -2.990 -0.519 225 HB3 LEU 31 HB1 LEU 31 10.103 -4.523 0.163 226 HG LEU 31 HG LEU 31 8.745 -3.240 1.828 227 HD11 LEU 31 HD11 LEU 31 9.943 -1.155 1.797 228 HD12 LEU 31 HD12 LEU 31 8.267 -0.875 1.317 229 HD13 LEU 31 HD13 LEU 31 9.546 -0.909 0.099 230 HD21 LEU 31 HD21 LEU 31 6.986 -2.589 0.225 231 HD22 LEU 31 HD22 LEU 31 7.667 -4.181 -0.110 232 HD23 LEU 31 HD23 LEU 31 8.141 -2.795 -1.089 233 H THR 32 HN THR 32 11.822 -2.847 3.807 234 HA THR 32 HA THR 32 10.825 -5.412 4.833 235 HB THR 32 HB THR 32 12.138 -4.882 6.866 236 HG1 THR 32 HG1 THR 32 13.436 -2.741 5.633 237 HG21 THR 32 HG21 THR 32 13.333 -6.128 5.147 238 HG22 THR 32 HG22 THR 32 14.429 -4.957 5.877 239 HG23 THR 32 HG23 THR 32 13.728 -4.633 4.291 240 H ASP 33 HN ASP 33 9.619 -5.245 6.939 241 HA ASP 33 HA ASP 33 7.567 -3.265 6.658 242 HB2 ASP 33 HB2 ASP 33 8.016 -5.510 8.606 243 HB3 ASP 33 HB1 ASP 33 6.712 -4.348 8.829 244 H ASP 34 HN ASP 34 10.545 -3.181 7.979 245 HA ASP 34 HA ASP 34 10.000 -1.727 10.404 246 HB2 ASP 34 HB2 ASP 34 12.600 -2.166 8.918 247 HB3 ASP 34 HB1 ASP 34 12.448 -1.522 10.552 248 H SER 35 HN SER 35 10.474 -0.945 7.063 249 HA SER 35 HA SER 35 11.497 1.721 7.604 250 HB2 SER 35 HB2 SER 35 10.549 0.606 4.946 251 HB3 SER 35 HB1 SER 35 11.588 2.003 5.211 252 HG SER 35 HG SER 35 12.583 -0.202 6.418 253 H ASN 36 HN ASN 36 10.485 3.645 6.979 254 HA ASN 36 HA ASN 36 7.585 3.518 7.555 255 HB2 ASN 36 HB2 ASN 36 9.109 4.415 9.380 256 HB3 ASN 36 HB1 ASN 36 9.518 5.728 8.301 257 HD21 ASN 36 HD21 ASN 36 6.938 4.418 10.331 258 HD22 ASN 36 HD22 ASN 36 5.984 5.843 10.271 259 H PHE 37 HN PHE 37 6.258 4.557 6.155 260 HA PHE 37 HA PHE 37 7.139 5.370 3.623 261 HB2 PHE 37 HB2 PHE 37 4.561 5.641 5.115 262 HB3 PHE 37 HB1 PHE 37 4.768 6.499 3.587 263 HD1 PHE 37 HD1 PHE 37 5.358 5.161 1.521 264 HD2 PHE 37 HD2 PHE 37 4.127 3.379 5.176 265 HE1 PHE 37 HE1 PHE 37 4.765 3.096 0.309 266 HE2 PHE 37 HE2 PHE 37 3.533 1.329 3.988 267 HZ PHE 37 HZ PHE 37 4.043 1.181 1.449 268 H ALA 38 HN ALA 38 6.188 7.346 6.439 269 HA ALA 38 HA ALA 38 6.566 9.828 5.073 270 HB1 ALA 38 HB1 ALA 38 6.340 10.845 7.297 271 HB2 ALA 38 HB2 ALA 38 6.356 9.235 8.016 272 HB3 ALA 38 HB3 ALA 38 5.046 9.704 6.932 273 H ASP 39 HN ASP 39 8.628 7.751 7.001 274 HA ASP 39 HA ASP 39 10.717 9.642 7.417 275 HB2 ASP 39 HB2 ASP 39 10.613 7.652 8.817 276 HB3 ASP 39 HB1 ASP 39 10.756 6.607 7.406 277 H MET 40 HN MET 40 9.828 7.521 4.837 278 HA MET 40 HA MET 40 12.411 7.665 3.563 279 HB2 MET 40 HB2 MET 40 9.823 6.341 2.866 280 HB3 MET 40 HB1 MET 40 11.124 6.457 1.682 281 HG2 MET 40 HG2 MET 40 11.460 5.315 4.429 282 HG3 MET 40 HG1 MET 40 11.075 4.339 3.010 283 HE1 MET 40 HE1 MET 40 13.605 3.849 4.944 284 HE2 MET 40 HE2 MET 40 14.864 3.513 3.757 285 HE3 MET 40 HE3 MET 40 13.252 2.831 3.543 286 H GLY 41 HN GLY 41 9.521 9.479 3.509 287 HA2 GLY 41 HA2 GLY 41 9.582 11.704 2.567 288 HA3 GLY 41 HA1 GLY 41 10.670 11.100 1.325 289 H ILE 42 HN ILE 42 7.826 9.287 2.223 290 HA ILE 42 HA ILE 42 6.794 9.462 -0.444 291 HB ILE 42 HB ILE 42 5.600 8.268 2.070 292 HG12 ILE 42 HG12 ILE 42 7.701 7.258 1.196 293 HG13 ILE 42 HG11 ILE 42 6.328 6.153 1.168 294 HG21 ILE 42 HG21 ILE 42 4.024 7.120 0.609 295 HG22 ILE 42 HG22 ILE 42 4.670 7.990 -0.783 296 HG23 ILE 42 HG23 ILE 42 3.834 8.869 0.497 297 HD11 ILE 42 HD11 ILE 42 7.462 7.665 -1.176 298 HD12 ILE 42 HD12 ILE 42 6.061 6.595 -1.230 299 HD13 ILE 42 HD13 ILE 42 7.655 5.944 -0.844 300 H ASP 43 HN ASP 43 5.874 11.263 -1.135 301 HA ASP 43 HA ASP 43 4.609 13.136 0.692 302 HB2 ASP 43 HB2 ASP 43 5.015 13.229 -2.308 303 HB3 ASP 43 HB1 ASP 43 4.297 14.525 -1.362 304 H SER 44 HN SER 44 2.559 14.215 -0.288 305 HA SER 44 HA SER 44 0.424 12.379 -0.298 306 HB2 SER 44 HB2 SER 44 0.043 14.613 0.454 307 HB3 SER 44 HB1 SER 44 0.594 15.294 -1.075 308 H LEU 45 HN LEU 45 2.408 13.734 -2.794 309 HA LEU 45 HA LEU 45 0.770 13.169 -5.028 310 HB2 LEU 45 HB2 LEU 45 2.806 14.707 -4.908 311 HB3 LEU 45 HB1 LEU 45 3.797 13.265 -4.975 312 HG LEU 45 HG LEU 45 3.532 14.533 -7.134 313 HD11 LEU 45 HD11 LEU 45 2.621 11.661 -7.173 314 HD12 LEU 45 HD12 LEU 45 4.296 12.211 -7.084 315 HD13 LEU 45 HD13 LEU 45 3.330 12.555 -8.517 316 HD21 LEU 45 HD21 LEU 45 1.480 14.208 -8.409 317 HD22 LEU 45 HD22 LEU 45 1.178 15.098 -6.917 318 HD23 LEU 45 HD23 LEU 45 0.747 13.392 -7.028 319 H SER 46 HN SER 46 3.683 11.441 -3.851 320 HA SER 46 HA SER 46 3.389 9.297 -5.653 321 HB2 SER 46 HB2 SER 46 5.014 8.187 -3.898 322 HB3 SER 46 HB1 SER 46 5.560 9.524 -4.913 323 HG SER 46 HG SER 46 6.004 10.477 -3.103 324 H SER 47 HN SER 47 2.372 9.641 -2.280 325 HA SER 47 HA SER 47 1.597 6.959 -1.926 326 HB2 SER 47 HB2 SER 47 0.238 7.840 -0.026 327 HB3 SER 47 HB1 SER 47 1.907 8.409 -0.019 328 HG SER 47 HG SER 47 1.267 10.391 -0.528 329 H MET 48 HN MET 48 0.011 9.678 -3.405 330 HA MET 48 HA MET 48 -2.601 8.501 -3.507 331 HB2 MET 48 HB2 MET 48 -2.067 10.974 -3.624 332 HB3 MET 48 HB1 MET 48 -1.485 10.698 -5.253 333 HG2 MET 48 HG2 MET 48 -3.741 11.566 -5.324 334 HG3 MET 48 HG1 MET 48 -3.710 9.903 -5.911 335 HE1 MET 48 HE1 MET 48 -5.240 11.131 -1.737 336 HE2 MET 48 HE2 MET 48 -4.696 12.289 -2.955 337 HE3 MET 48 HE3 MET 48 -3.540 11.191 -2.201 338 H VAL 49 HN VAL 49 0.223 8.649 -5.535 339 HA VAL 49 HA VAL 49 -1.058 7.712 -7.909 340 HB VAL 49 HB VAL 49 1.860 7.979 -7.117 341 HG11 VAL 49 HG11 VAL 49 2.533 7.441 -9.311 342 HG12 VAL 49 HG12 VAL 49 0.875 7.435 -9.905 343 HG13 VAL 49 HG13 VAL 49 1.425 6.158 -8.824 344 HG21 VAL 49 HG21 VAL 49 0.652 10.097 -7.429 345 HG22 VAL 49 HG22 VAL 49 0.148 9.577 -9.036 346 HG23 VAL 49 HG23 VAL 49 1.854 9.856 -8.695 347 H ILE 50 HN ILE 50 0.790 6.256 -5.270 348 HA ILE 50 HA ILE 50 0.951 3.651 -6.235 349 HB ILE 50 HB ILE 50 0.566 4.542 -3.374 350 HG12 ILE 50 HG12 ILE 50 3.105 3.825 -4.848 351 HG13 ILE 50 HG11 ILE 50 2.558 5.477 -4.579 352 HG21 ILE 50 HG21 ILE 50 1.607 2.365 -2.800 353 HG22 ILE 50 HG22 ILE 50 1.506 1.909 -4.501 354 HG23 ILE 50 HG23 ILE 50 0.032 2.201 -3.578 355 HD11 ILE 50 HD11 ILE 50 4.280 4.787 -2.987 356 HD12 ILE 50 HD12 ILE 50 3.225 3.491 -2.419 357 HD13 ILE 50 HD13 ILE 50 2.754 5.174 -2.190 358 H GLY 51 HN GLY 51 -1.602 5.173 -4.279 359 HA2 GLY 51 HA2 GLY 51 -3.295 2.961 -4.057 360 HA3 GLY 51 HA1 GLY 51 -3.811 4.638 -3.975 361 H SER 52 HN SER 52 -3.071 5.399 -6.610 362 HA SER 52 HA SER 52 -5.295 4.495 -8.103 363 HB2 SER 52 HB2 SER 52 -3.761 6.632 -8.461 364 HB3 SER 52 HB1 SER 52 -2.911 5.545 -9.566 365 HG SER 52 HG SER 52 -4.529 5.560 -10.901 366 H ARG 53 HN ARG 53 -1.846 3.606 -8.296 367 HA ARG 53 HA ARG 53 -2.073 1.896 -10.511 368 HB2 ARG 53 HB2 ARG 53 -0.091 1.698 -8.245 369 HB3 ARG 53 HB1 ARG 53 0.072 0.962 -9.835 370 HG2 ARG 53 HG2 ARG 53 -0.072 3.341 -10.744 371 HG3 ARG 53 HG1 ARG 53 0.217 3.856 -9.082 372 HD2 ARG 53 HD2 ARG 53 2.388 3.728 -9.774 373 HD3 ARG 53 HD1 ARG 53 2.124 2.064 -9.256 374 HE ARG 53 HE ARG 53 1.455 2.255 -11.984 375 HH11 ARG 53 HH11 ARG 53 4.271 2.492 -9.926 376 HH12 ARG 53 HH12 ARG 53 5.328 1.670 -11.039 377 HH21 ARG 53 HH21 ARG 53 2.845 1.136 -13.453 378 HH22 ARG 53 HH22 ARG 53 4.518 0.926 -13.035 379 H PHE 54 HN PHE 54 -2.580 1.343 -7.079 380 HA PHE 54 HA PHE 54 -2.773 -1.439 -6.996 381 HB2 PHE 54 HB2 PHE 54 -4.306 0.737 -5.557 382 HB3 PHE 54 HB1 PHE 54 -4.648 -0.960 -5.278 383 HD1 PHE 54 HD1 PHE 54 -1.250 -0.893 -5.880 384 HD2 PHE 54 HD2 PHE 54 -4.107 0.270 -2.954 385 HE1 PHE 54 HE1 PHE 54 0.501 -0.961 -4.150 386 HE2 PHE 54 HE2 PHE 54 -2.367 0.198 -1.219 387 HZ PHE 54 HZ PHE 54 -0.062 -0.421 -1.819 388 H ARG 55 HN ARG 55 -5.075 0.976 -8.133 389 HA ARG 55 HA ARG 55 -7.199 -0.954 -8.465 390 HB2 ARG 55 HB2 ARG 55 -7.130 1.885 -9.496 391 HB3 ARG 55 HB1 ARG 55 -8.540 0.892 -9.164 392 HG2 ARG 55 HG2 ARG 55 -8.139 1.019 -6.805 393 HG3 ARG 55 HG1 ARG 55 -6.614 1.867 -7.065 394 HD2 ARG 55 HD2 ARG 55 -9.341 2.886 -7.864 395 HD3 ARG 55 HD1 ARG 55 -8.454 3.377 -6.421 396 HE ARG 55 HE ARG 55 -6.715 3.891 -8.447 397 HH11 ARG 55 HH11 ARG 55 -10.044 4.801 -7.842 398 HH12 ARG 55 HH12 ARG 55 -9.912 6.323 -8.668 399 HH21 ARG 55 HH21 ARG 55 -6.532 5.913 -9.535 400 HH22 ARG 55 HH22 ARG 55 -7.927 6.953 -9.623 401 H GLU 56 HN GLU 56 -4.794 0.625 -10.452 402 HA GLU 56 HA GLU 56 -6.192 -0.011 -12.904 403 HB2 GLU 56 HB2 GLU 56 -3.553 1.387 -12.442 404 HB3 GLU 56 HB1 GLU 56 -4.385 1.267 -13.986 405 HG2 GLU 56 HG2 GLU 56 -6.228 2.573 -13.153 406 HG3 GLU 56 HG1 GLU 56 -5.528 2.586 -11.539 407 H ASP 57 HN ASP 57 -3.075 -0.786 -11.416 408 HA ASP 57 HA ASP 57 -2.370 -2.589 -13.563 409 HB2 ASP 57 HB2 ASP 57 -0.740 -1.120 -12.300 410 HB3 ASP 57 HB1 ASP 57 -0.947 -2.199 -10.925 411 H LEU 58 HN LEU 58 -3.086 -2.874 -10.103 412 HA LEU 58 HA LEU 58 -2.975 -5.766 -10.239 413 HB2 LEU 58 HB2 LEU 58 -3.360 -3.789 -8.016 414 HB3 LEU 58 HB1 LEU 58 -3.715 -5.487 -7.763 415 HG LEU 58 HG LEU 58 -1.396 -6.069 -8.284 416 HD11 LEU 58 HD11 LEU 58 0.306 -4.370 -8.568 417 HD12 LEU 58 HD12 LEU 58 -0.918 -3.101 -8.488 418 HD13 LEU 58 HD13 LEU 58 -0.910 -4.235 -9.839 419 HD21 LEU 58 HD21 LEU 58 -2.040 -5.605 -5.981 420 HD22 LEU 58 HD22 LEU 58 -1.638 -3.900 -6.209 421 HD23 LEU 58 HD23 LEU 58 -0.370 -5.125 -6.290 422 H GLY 59 HN GLY 59 -5.419 -3.355 -9.276 423 HA2 GLY 59 HA2 GLY 59 -7.670 -3.581 -10.232 424 HA3 GLY 59 HA1 GLY 59 -7.486 -5.320 -10.044 425 H LEU 60 HN LEU 60 -6.429 -3.043 -7.628 426 HA LEU 60 HA LEU 60 -8.259 -4.242 -5.705 427 HB2 LEU 60 HB2 LEU 60 -6.059 -2.216 -5.304 428 HB3 LEU 60 HB1 LEU 60 -6.913 -3.076 -4.040 429 HG LEU 60 HG LEU 60 -5.153 -4.397 -6.102 430 HD11 LEU 60 HD11 LEU 60 -4.588 -3.646 -3.234 431 HD12 LEU 60 HD12 LEU 60 -3.850 -2.935 -4.668 432 HD13 LEU 60 HD13 LEU 60 -3.540 -4.624 -4.262 433 HD21 LEU 60 HD21 LEU 60 -5.361 -6.351 -4.709 434 HD22 LEU 60 HD22 LEU 60 -6.974 -5.781 -5.128 435 HD23 LEU 60 HD23 LEU 60 -6.313 -5.457 -3.525 436 H ASP 61 HN ASP 61 -10.013 -3.161 -4.875 437 HA ASP 61 HA ASP 61 -10.417 -0.437 -5.844 438 HB2 ASP 61 HB2 ASP 61 -12.790 -0.776 -5.430 439 HB3 ASP 61 HB1 ASP 61 -12.146 -2.060 -6.449 440 H LEU 62 HN LEU 62 -9.247 0.713 -4.392 441 HA LEU 62 HA LEU 62 -9.812 0.467 -1.557 442 HB2 LEU 62 HB2 LEU 62 -7.970 2.258 -3.126 443 HB3 LEU 62 HB1 LEU 62 -8.211 2.434 -1.401 444 HG LEU 62 HG LEU 62 -6.191 1.243 -1.667 445 HD11 LEU 62 HD11 LEU 62 -8.349 -0.764 -1.065 446 HD12 LEU 62 HD12 LEU 62 -7.616 0.359 0.082 447 HD13 LEU 62 HD13 LEU 62 -6.643 -0.920 -0.647 448 HD21 LEU 62 HD21 LEU 62 -5.928 -0.747 -3.018 449 HD22 LEU 62 HD22 LEU 62 -6.498 0.593 -4.014 450 HD23 LEU 62 HD23 LEU 62 -7.621 -0.669 -3.508 451 H GLY 63 HN GLY 63 -9.585 3.353 -3.603 452 HA2 GLY 63 HA2 GLY 63 -12.051 4.286 -3.870 453 HA3 GLY 63 HA1 GLY 63 -11.788 4.550 -2.151 454 HA PRO 64 HA PRO 64 -9.843 8.041 -4.607 455 HB2 PRO 64 HB2 PRO 64 -11.765 9.911 -4.592 456 HB3 PRO 64 HB1 PRO 64 -11.744 8.607 -5.788 457 HG2 PRO 64 HG2 PRO 64 -13.393 8.878 -3.323 458 HG3 PRO 64 HG1 PRO 64 -13.862 8.257 -4.911 459 HD2 PRO 64 HD2 PRO 64 -13.173 6.706 -2.713 460 HD3 PRO 64 HD1 PRO 64 -13.169 6.150 -4.402 461 H GLU 65 HN GLU 65 -10.741 7.290 -1.648 462 HA GLU 65 HA GLU 65 -9.974 9.861 -0.435 463 HB2 GLU 65 HB2 GLU 65 -12.322 9.036 -0.019 464 HB3 GLU 65 HB1 GLU 65 -11.625 7.653 0.813 465 HG2 GLU 65 HG2 GLU 65 -10.648 9.126 2.487 466 HG3 GLU 65 HG1 GLU 65 -11.299 10.534 1.642 467 H PHE 66 HN PHE 66 -8.735 6.994 -1.244 468 HA PHE 66 HA PHE 66 -7.512 6.299 1.303 469 HB2 PHE 66 HB2 PHE 66 -8.397 4.514 -0.175 470 HB3 PHE 66 HB1 PHE 66 -7.235 4.979 -1.411 471 HD1 PHE 66 HD2 PHE 66 -7.628 3.487 1.922 472 HD2 PHE 66 HD1 PHE 66 -4.961 4.297 -1.295 473 HE1 PHE 66 HE2 PHE 66 -5.980 1.958 2.907 474 HE2 PHE 66 HE1 PHE 66 -3.308 2.765 -0.316 475 HZ PHE 66 HZ PHE 66 -3.806 1.572 1.744 476 H SER 67 HN SER 67 -5.681 7.195 1.911 477 HA SER 67 HA SER 67 -3.606 7.658 -0.102 478 HB2 SER 67 HB2 SER 67 -4.672 9.838 0.294 479 HB3 SER 67 HB1 SER 67 -4.401 9.663 2.027 480 HG SER 67 HG SER 67 -2.682 10.476 0.064 481 H LEU 68 HN LEU 68 -1.788 6.669 0.486 482 HA LEU 68 HA LEU 68 -1.439 5.351 2.945 483 HB2 LEU 68 HB2 LEU 68 0.641 6.217 0.943 484 HB3 LEU 68 HB1 LEU 68 0.920 5.078 2.242 485 HG LEU 68 HG LEU 68 -0.936 4.679 -0.106 486 HD11 LEU 68 HD11 LEU 68 1.789 3.631 0.584 487 HD12 LEU 68 HD12 LEU 68 1.261 4.452 -0.890 488 HD13 LEU 68 HD13 LEU 68 0.717 2.805 -0.548 489 HD21 LEU 68 HD21 LEU 68 -1.797 3.605 1.907 490 HD22 LEU 68 HD22 LEU 68 -0.239 2.821 2.162 491 HD23 LEU 68 HD23 LEU 68 -1.213 2.409 0.750 492 H PHE 69 HN PHE 69 -0.439 8.496 1.808 493 HA PHE 69 HA PHE 69 1.413 9.110 3.846 494 HB2 PHE 69 HB2 PHE 69 1.291 10.242 1.649 495 HB3 PHE 69 HB1 PHE 69 -0.256 10.950 2.098 496 HD1 PHE 69 HD1 PHE 69 2.834 10.627 4.141 497 HD2 PHE 69 HD2 PHE 69 0.149 13.202 2.090 498 HE1 PHE 69 HE1 PHE 69 4.019 12.581 5.064 499 HE2 PHE 69 HE2 PHE 69 1.318 15.169 3.015 500 HZ PHE 69 HZ PHE 69 3.257 14.856 4.498 501 H ILE 70 HN ILE 70 -1.900 8.651 4.078 502 HA ILE 70 HA ILE 70 -2.064 10.498 6.376 503 HB ILE 70 HB ILE 70 -4.322 9.760 4.477 504 HG12 ILE 70 HG12 ILE 70 -2.973 12.404 5.087 505 HG13 ILE 70 HG11 ILE 70 -2.776 11.478 3.607 506 HG21 ILE 70 HG21 ILE 70 -5.734 11.212 5.816 507 HG22 ILE 70 HG22 ILE 70 -4.415 11.476 6.956 508 HG23 ILE 70 HG23 ILE 70 -5.121 9.870 6.782 509 HD11 ILE 70 HD11 ILE 70 -5.322 12.770 4.563 510 HD12 ILE 70 HD12 ILE 70 -5.151 11.796 3.103 511 HD13 ILE 70 HD13 ILE 70 -4.282 13.322 3.245 512 H ASP 71 HN ASP 71 -2.958 7.302 5.105 513 HA ASP 71 HA ASP 71 -3.847 6.618 7.838 514 HB2 ASP 71 HB2 ASP 71 -5.707 6.806 6.156 515 HB3 ASP 71 HB1 ASP 71 -5.004 5.437 5.301 516 H CYS 72 HN CYS 72 -1.304 6.108 5.948 517 HA CYS 72 HA CYS 72 -0.834 3.466 7.077 518 HB2 CYS 72 HB2 CYS 72 -0.556 3.953 4.100 519 HB3 CYS 72 HB1 CYS 72 -0.080 2.488 4.950 520 HG CYS 72 HG CYS 72 -3.141 2.858 5.777 521 H THR 73 HN THR 73 0.726 4.429 8.353 522 HA THR 73 HA THR 73 2.704 6.166 7.124 523 HB THR 73 HB THR 73 3.572 6.281 9.526 524 HG1 THR 73 HG1 THR 73 2.267 5.409 11.110 525 HG21 THR 73 HG21 THR 73 1.774 7.800 10.219 526 HG22 THR 73 HG22 THR 73 0.706 7.110 8.999 527 HG23 THR 73 HG23 THR 73 2.134 8.017 8.505 528 H THR 74 HN THR 74 2.586 2.902 8.479 529 HA THR 74 HA THR 74 5.424 2.601 7.779 530 HB THR 74 HB THR 74 5.389 0.533 9.130 531 HG1 THR 74 HG1 THR 74 3.365 0.660 10.651 532 HG21 THR 74 HG21 THR 74 5.342 1.618 11.300 533 HG22 THR 74 HG22 THR 74 4.428 2.968 10.627 534 HG23 THR 74 HG23 THR 74 6.091 2.679 10.102 535 H VAL 75 HN VAL 75 5.895 0.191 7.058 536 HA VAL 75 HA VAL 75 4.430 -0.014 4.617 537 HB VAL 75 HB VAL 75 6.929 -1.248 5.653 538 HG11 VAL 75 HG11 VAL 75 5.431 -2.179 3.208 539 HG12 VAL 75 HG12 VAL 75 5.829 -3.137 4.635 540 HG13 VAL 75 HG13 VAL 75 7.111 -2.567 3.570 541 HG21 VAL 75 HG21 VAL 75 7.059 0.919 4.598 542 HG22 VAL 75 HG22 VAL 75 6.163 0.327 3.194 543 HG23 VAL 75 HG23 VAL 75 7.790 -0.281 3.531 544 H ARG 76 HN ARG 76 4.922 -2.003 7.487 545 HA ARG 76 HA ARG 76 3.419 -4.220 6.686 546 HB2 ARG 76 HB2 ARG 76 4.819 -4.361 8.635 547 HB3 ARG 76 HB1 ARG 76 3.904 -3.085 9.435 548 HG2 ARG 76 HG2 ARG 76 2.067 -4.465 9.811 549 HG3 ARG 76 HG1 ARG 76 2.574 -5.625 8.580 550 HD2 ARG 76 HD2 ARG 76 4.038 -5.101 11.155 551 HD3 ARG 76 HD1 ARG 76 2.910 -6.427 10.890 552 HE ARG 76 HE ARG 76 4.939 -6.408 8.897 553 HH11 ARG 76 HH11 ARG 76 4.393 -7.269 12.242 554 HH12 ARG 76 HH12 ARG 76 5.628 -8.490 12.262 555 HH21 ARG 76 HH21 ARG 76 6.559 -7.969 8.908 556 HH22 ARG 76 HH22 ARG 76 6.890 -8.871 10.365 557 H ALA 77 HN ALA 77 2.476 -1.121 7.952 558 HA ALA 77 HA ALA 77 -0.182 -1.590 8.605 559 HB1 ALA 77 HB1 ALA 77 -0.541 0.784 8.244 560 HB2 ALA 77 HB2 ALA 77 0.965 0.893 7.330 561 HB3 ALA 77 HB3 ALA 77 1.003 0.516 9.052 562 H LEU 78 HN LEU 78 1.343 -1.202 5.478 563 HA LEU 78 HA LEU 78 -1.136 -1.073 3.994 564 HB2 LEU 78 HB2 LEU 78 1.459 -0.392 3.496 565 HB3 LEU 78 HB1 LEU 78 1.339 -1.899 2.628 566 HG LEU 78 HG LEU 78 -0.497 0.443 2.202 567 HD11 LEU 78 HD11 LEU 78 0.907 0.770 0.131 568 HD12 LEU 78 HD12 LEU 78 2.086 -0.334 0.849 569 HD13 LEU 78 HD13 LEU 78 1.698 1.187 1.651 570 HD21 LEU 78 HD21 LEU 78 -0.980 -0.651 0.076 571 HD22 LEU 78 HD22 LEU 78 -1.418 -1.674 1.450 572 HD23 LEU 78 HD23 LEU 78 0.056 -2.005 0.531 573 H LYS 79 HN LYS 79 1.405 -3.387 4.658 574 HA LYS 79 HA LYS 79 0.602 -5.546 3.109 575 HB2 LYS 79 HB2 LYS 79 1.849 -5.719 5.852 576 HB3 LYS 79 HB1 LYS 79 1.965 -6.912 4.558 577 HG2 LYS 79 HG2 LYS 79 2.955 -4.137 4.102 578 HG3 LYS 79 HG1 LYS 79 3.942 -5.258 5.034 579 HD2 LYS 79 HD2 LYS 79 3.714 -6.866 3.094 580 HD3 LYS 79 HD1 LYS 79 2.977 -5.537 2.193 581 HE2 LYS 79 HE2 LYS 79 5.276 -5.553 1.613 582 HE3 LYS 79 HE1 LYS 79 5.023 -4.184 2.710 583 HZ1 LYS 79 HZ1 LYS 79 6.179 -6.831 3.448 584 HZ2 LYS 79 HZ2 LYS 79 5.890 -5.554 4.538 585 HZ3 LYS 79 HZ3 LYS 79 7.026 -5.374 3.297 586 H ASP 80 HN ASP 80 0.002 -5.130 6.609 587 HA ASP 80 HA ASP 80 -1.684 -7.393 6.768 588 HB2 ASP 80 HB2 ASP 80 -0.417 -6.405 8.700 589 HB3 ASP 80 HB1 ASP 80 -1.577 -5.080 8.711 590 H PHE 81 HN PHE 81 -2.271 -4.116 5.892 591 HA PHE 81 HA PHE 81 -5.055 -4.035 6.398 592 HB2 PHE 81 HB2 PHE 81 -3.646 -2.015 5.958 593 HB3 PHE 81 HB1 PHE 81 -3.488 -2.525 4.279 594 HD1 PHE 81 HD1 PHE 81 -5.978 -1.528 6.847 595 HD2 PHE 81 HD2 PHE 81 -5.083 -1.925 2.705 596 HE1 PHE 81 HE1 PHE 81 -8.048 -0.324 6.290 597 HE2 PHE 81 HE2 PHE 81 -7.152 -0.719 2.142 598 HZ PHE 81 HZ PHE 81 -8.634 0.100 3.953 599 H MET 82 HN MET 82 -3.076 -4.967 3.660 600 HA MET 82 HA MET 82 -5.325 -5.419 1.955 601 HB2 MET 82 HB2 MET 82 -2.366 -5.971 1.650 602 HB3 MET 82 HB1 MET 82 -3.528 -6.299 0.358 603 HG2 MET 82 HG2 MET 82 -4.053 -3.657 1.254 604 HG3 MET 82 HG1 MET 82 -2.291 -3.790 1.135 605 HE1 MET 82 HE1 MET 82 -1.709 -4.608 -2.584 606 HE2 MET 82 HE2 MET 82 -1.676 -5.660 -1.167 607 HE3 MET 82 HE3 MET 82 -0.980 -4.044 -1.077 608 H LEU 83 HN LEU 83 -3.079 -7.592 3.705 609 HA LEU 83 HA LEU 83 -4.417 -9.927 2.751 610 HB2 LEU 83 HB2 LEU 83 -2.431 -9.478 4.979 611 HB3 LEU 83 HB1 LEU 83 -3.135 -11.052 4.675 612 HG LEU 83 HG LEU 83 -2.183 -10.887 2.330 613 HD11 LEU 83 HD11 LEU 83 -0.658 -8.603 3.531 614 HD12 LEU 83 HD12 LEU 83 -1.845 -8.499 2.230 615 HD13 LEU 83 HD13 LEU 83 -0.328 -9.364 1.976 616 HD21 LEU 83 HD21 LEU 83 -1.127 -12.279 4.048 617 HD22 LEU 83 HD22 LEU 83 -0.226 -10.877 4.630 618 HD23 LEU 83 HD23 LEU 83 0.086 -11.518 3.017 619 H GLY 84 HN GLY 84 -4.526 -8.112 5.800 620 HA2 GLY 84 HA2 GLY 84 -6.652 -7.894 6.945 621 HA3 GLY 84 HA1 GLY 84 -7.086 -9.483 6.338 622 H SER 85 HN SER 85 -6.656 -8.073 9.074 623 HA SER 85 HA SER 85 -4.634 -9.627 10.390 624 HB2 SER 85 HB2 SER 85 -6.807 -8.235 11.892 625 HB3 SER 85 HB1 SER 85 -5.076 -8.303 12.226 626 HG SER 85 HG SER 85 -4.750 -6.891 10.432 627 H GLY 86 HN GLY 86 -6.292 -11.460 9.173 628 HA2 GLY 86 HA2 GLY 86 -8.424 -12.292 10.933 629 HA3 GLY 86 HA1 GLY 86 -7.897 -13.109 9.473 630 H ASP 87 HN ASP 87 -5.085 -13.185 10.451 631 HA ASP 87 HA ASP 87 -3.684 -14.637 11.490 632 HB2 ASP 87 HB2 ASP 87 -5.902 -14.600 13.514 633 HB3 ASP 87 HB1 ASP 87 -4.554 -15.717 13.693 634 H ALA 88 HN ALA 88 -6.774 -16.171 12.270 635 HA ALA 88 HA ALA 88 -7.656 -18.204 11.827 636 HB1 ALA 88 HB1 ALA 88 -7.601 -17.414 9.502 637 HB2 ALA 88 HB2 ALA 88 -7.371 -19.158 9.616 638 HB3 ALA 88 HB3 ALA 88 -5.989 -18.107 9.314 639 H GLY 89 HN GLY 89 -6.772 -19.310 13.546 640 HA2 GLY 89 HA2 GLY 89 -5.129 -21.522 12.854 641 HA3 GLY 89 HA1 GLY 89 -4.213 -20.340 13.781 642 H282 PNS 90 H28A PNS 44 -1.143 15.763 -4.118 643 H281 PNS 90 H28B PNS 44 -1.643 14.088 -3.878 644 H303 PNS 90 H30A PNS 44 -3.835 16.918 -4.589 645 H302 PNS 90 H30B PNS 44 -3.938 16.680 -6.333 646 H301 PNS 90 H30C PNS 44 -2.435 17.249 -5.606 647 H313 PNS 90 H31A PNS 44 -1.566 13.768 -6.321 648 H312 PNS 90 H31B PNS 44 -1.143 15.457 -6.594 649 H311 PNS 90 H31C PNS 44 -2.556 14.765 -7.391 650 H32 PNS 90 H32A PNS 44 -3.707 13.193 -5.239 651 H33 PNS 90 H33A PNS 44 -4.158 14.864 -3.346 652 H36 PNS 90 H36A PNS 44 -6.461 14.785 -5.036 653 H372 PNS 90 H37A PNS 44 -7.221 16.004 -7.342 654 H371 PNS 90 H37B PNS 44 -7.294 14.289 -7.743 655 H382 PNS 90 H38A PNS 44 -8.839 13.919 -5.894 656 H381 PNS 90 H38B PNS 44 -8.749 15.626 -5.469 657 H41 PNS 90 H41A PNS 44 -11.136 14.728 -5.798 658 H422 PNS 90 H42A PNS 44 -12.116 16.041 -8.203 659 H421 PNS 90 H42B PNS 44 -12.544 14.341 -8.003 660 H431 PNS 90 H43A PNS 44 -13.167 16.541 -6.038 661 H432 PNS 90 H43B PNS 44 -13.633 14.847 -5.889 662 H44 PNS 90 H1 PNS 44 -15.899 16.344 -6.566 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 -9.013 -10.200 8.255 2 H2 ALA 1 HT2 ALA 1 -9.757 -9.184 7.122 3 H3 ALA 1 HT3 ALA 1 -8.827 -10.490 6.593 4 HA ALA 1 HA ALA 1 -10.405 -12.024 7.631 5 HB1 ALA 1 HB1 ALA 1 -12.551 -11.147 8.408 6 HB2 ALA 1 HB2 ALA 1 -11.990 -9.500 8.113 7 HB3 ALA 1 HB3 ALA 1 -11.216 -10.486 9.350 8 H MET 2 HN MET 2 -12.252 -12.785 6.426 9 HA MET 2 HA MET 2 -12.390 -11.597 3.755 10 HB2 MET 2 HB2 MET 2 -13.421 -13.661 3.033 11 HB3 MET 2 HB1 MET 2 -11.977 -14.045 3.960 12 HG2 MET 2 HG2 MET 2 -13.353 -14.557 5.907 13 HG3 MET 2 HG1 MET 2 -14.804 -14.157 4.990 14 HE1 MET 2 HE1 MET 2 -11.553 -16.134 3.880 15 HE2 MET 2 HE2 MET 2 -12.082 -17.793 4.160 16 HE3 MET 2 HE3 MET 2 -11.878 -16.687 5.520 17 H ALA 3 HN ALA 3 -14.374 -10.925 2.839 18 HA ALA 3 HA ALA 3 -16.462 -10.080 2.760 19 HB1 ALA 3 HB1 ALA 3 -18.216 -10.852 4.235 20 HB2 ALA 3 HB2 ALA 3 -17.015 -11.577 5.304 21 HB3 ALA 3 HB3 ALA 3 -17.245 -12.211 3.673 22 H LYS 4 HN LYS 4 -14.494 -9.703 5.415 23 HA LYS 4 HA LYS 4 -15.660 -7.059 6.006 24 HB2 LYS 4 HB2 LYS 4 -15.886 -8.582 7.959 25 HB3 LYS 4 HB1 LYS 4 -14.147 -8.849 7.936 26 HG2 LYS 4 HG2 LYS 4 -14.690 -7.285 9.668 27 HG3 LYS 4 HG1 LYS 4 -13.821 -6.434 8.393 28 HD2 LYS 4 HD2 LYS 4 -15.845 -5.481 7.559 29 HD3 LYS 4 HD1 LYS 4 -16.823 -6.491 8.625 30 HE2 LYS 4 HE2 LYS 4 -15.837 -5.368 10.570 31 HE3 LYS 4 HE1 LYS 4 -14.896 -4.340 9.491 32 HZ1 LYS 4 HZ1 LYS 4 -17.861 -4.461 9.527 33 HZ2 LYS 4 HZ2 LYS 4 -16.899 -3.389 8.633 34 HZ3 LYS 4 HZ3 LYS 4 -16.945 -3.277 10.325 35 H GLY 5 HN GLY 5 -14.433 -5.979 4.537 36 HA2 GLY 5 HA2 GLY 5 -12.443 -4.731 4.122 37 HA3 GLY 5 HA1 GLY 5 -11.522 -5.983 4.953 38 H VAL 6 HN VAL 6 -10.225 -5.707 2.887 39 HA VAL 6 HA VAL 6 -11.379 -6.839 0.505 40 HB VAL 6 HB VAL 6 -8.489 -6.164 1.023 41 HG11 VAL 6 HG11 VAL 6 -8.804 -7.677 -0.859 42 HG12 VAL 6 HG12 VAL 6 -8.307 -6.079 -1.418 43 HG13 VAL 6 HG13 VAL 6 -9.995 -6.577 -1.552 44 HG21 VAL 6 HG21 VAL 6 -9.884 -4.193 1.332 45 HG22 VAL 6 HG22 VAL 6 -10.668 -4.491 -0.220 46 HG23 VAL 6 HG23 VAL 6 -8.958 -4.064 -0.167 47 H GLY 7 HN GLY 7 -8.237 -7.773 1.844 48 HA2 GLY 7 HA2 GLY 7 -7.583 -9.917 2.594 49 HA3 GLY 7 HA1 GLY 7 -9.131 -10.552 2.046 50 H VAL 8 HN VAL 8 -5.856 -9.934 1.219 51 HA VAL 8 HA VAL 8 -6.408 -10.688 -1.568 52 HB VAL 8 HB VAL 8 -4.477 -9.528 -2.303 53 HG11 VAL 8 HG11 VAL 8 -6.350 -8.055 -1.765 54 HG12 VAL 8 HG12 VAL 8 -4.801 -7.247 -1.530 55 HG13 VAL 8 HG13 VAL 8 -5.708 -7.833 -0.138 56 HG21 VAL 8 HG21 VAL 8 -3.666 -9.229 0.589 57 HG22 VAL 8 HG22 VAL 8 -2.828 -8.510 -0.789 58 HG23 VAL 8 HG23 VAL 8 -2.895 -10.264 -0.620 59 H SER 9 HN SER 9 -4.944 -12.147 -2.614 60 HA SER 9 HA SER 9 -3.882 -14.202 -0.916 61 HB2 SER 9 HB2 SER 9 -3.568 -13.848 -3.905 62 HB3 SER 9 HB1 SER 9 -3.329 -15.334 -2.985 63 HG SER 9 HG SER 9 -5.669 -14.870 -2.321 64 H ASN 10 HN ASN 10 -1.538 -15.003 -1.574 65 HA ASN 10 HA ASN 10 0.171 -12.903 -0.618 66 HB2 ASN 10 HB2 ASN 10 0.674 -15.774 -1.396 67 HB3 ASN 10 HB1 ASN 10 1.978 -14.695 -0.924 68 HD21 ASN 10 HD21 ASN 10 -1.162 -14.437 0.552 69 HD22 ASN 10 HD22 ASN 10 -0.709 -15.091 2.083 70 H GLU 11 HN GLU 11 -0.748 -14.093 -3.648 71 HA GLU 11 HA GLU 11 1.482 -13.271 -5.190 72 HB2 GLU 11 HB2 GLU 11 -0.140 -14.822 -6.109 73 HB3 GLU 11 HB1 GLU 11 -1.429 -13.628 -5.954 74 HG2 GLU 11 HG2 GLU 11 -0.059 -12.193 -7.550 75 HG3 GLU 11 HG1 GLU 11 0.912 -13.640 -7.829 76 H LYS 12 HN LYS 12 -1.564 -11.722 -4.310 77 HA LYS 12 HA LYS 12 -0.963 -9.269 -5.622 78 HB2 LYS 12 HB2 LYS 12 -3.043 -10.168 -3.683 79 HB3 LYS 12 HB1 LYS 12 -2.798 -8.447 -3.968 80 HG2 LYS 12 HG2 LYS 12 -3.061 -8.834 -6.397 81 HG3 LYS 12 HG1 LYS 12 -3.451 -10.521 -6.062 82 HD2 LYS 12 HD2 LYS 12 -5.458 -9.936 -4.979 83 HD3 LYS 12 HD1 LYS 12 -4.982 -8.240 -4.830 84 HE2 LYS 12 HE2 LYS 12 -6.602 -8.436 -6.594 85 HE3 LYS 12 HE1 LYS 12 -5.028 -8.056 -7.293 86 HZ1 LYS 12 HZ1 LYS 12 -6.103 -10.818 -7.136 87 HZ2 LYS 12 HZ2 LYS 12 -4.770 -10.272 -8.042 88 HZ3 LYS 12 HZ3 LYS 12 -6.345 -9.802 -8.472 89 H LEU 13 HN LEU 13 -0.183 -10.666 -2.575 90 HA LEU 13 HA LEU 13 0.702 -8.269 -1.301 91 HB2 LEU 13 HB2 LEU 13 0.194 -10.428 -0.140 92 HB3 LEU 13 HB1 LEU 13 1.659 -11.101 -0.823 93 HG LEU 13 HG LEU 13 2.610 -8.843 0.366 94 HD11 LEU 13 HD11 LEU 13 0.542 -8.240 1.409 95 HD12 LEU 13 HD12 LEU 13 1.640 -8.837 2.655 96 HD13 LEU 13 HD13 LEU 13 0.341 -9.871 2.052 97 HD21 LEU 13 HD21 LEU 13 3.615 -11.031 0.489 98 HD22 LEU 13 HD22 LEU 13 2.319 -11.594 1.550 99 HD23 LEU 13 HD23 LEU 13 3.442 -10.355 2.112 100 H ASP 14 HN ASP 14 2.104 -10.469 -3.630 101 HA ASP 14 HA ASP 14 4.777 -9.482 -3.246 102 HB2 ASP 14 HB2 ASP 14 3.909 -11.796 -4.234 103 HB3 ASP 14 HB1 ASP 14 4.008 -10.942 -5.745 104 H ALA 15 HN ALA 15 2.018 -8.797 -5.181 105 HA ALA 15 HA ALA 15 3.427 -7.351 -7.225 106 HB1 ALA 15 HB1 ALA 15 1.307 -8.548 -7.683 107 HB2 ALA 15 HB2 ALA 15 1.231 -6.841 -8.129 108 HB3 ALA 15 HB3 ALA 15 0.467 -7.400 -6.643 109 H VAL 16 HN VAL 16 1.678 -6.578 -4.283 110 HA VAL 16 HA VAL 16 1.489 -3.807 -4.714 111 HB VAL 16 HB VAL 16 0.070 -4.736 -3.051 112 HG11 VAL 16 HG11 VAL 16 0.914 -5.774 -0.996 113 HG12 VAL 16 HG12 VAL 16 2.570 -5.586 -1.578 114 HG13 VAL 16 HG13 VAL 16 1.453 -6.654 -2.427 115 HG21 VAL 16 HG21 VAL 16 0.572 -3.303 -1.111 116 HG22 VAL 16 HG22 VAL 16 0.835 -2.452 -2.632 117 HG23 VAL 16 HG23 VAL 16 2.215 -3.064 -1.716 118 H MET 17 HN MET 17 3.956 -5.788 -3.153 119 HA MET 17 HA MET 17 5.389 -3.652 -2.000 120 HB2 MET 17 HB2 MET 17 6.377 -6.409 -2.764 121 HB3 MET 17 HB1 MET 17 7.197 -5.287 -1.696 122 HG2 MET 17 HG2 MET 17 5.211 -5.362 -0.204 123 HG3 MET 17 HG1 MET 17 4.569 -6.629 -1.241 124 HE1 MET 17 HE1 MET 17 5.729 -8.981 -1.599 125 HE2 MET 17 HE2 MET 17 7.190 -9.499 -0.758 126 HE3 MET 17 HE3 MET 17 7.283 -8.240 -1.988 127 H ARG 18 HN ARG 18 5.487 -5.094 -5.191 128 HA ARG 18 HA ARG 18 7.895 -3.690 -5.882 129 HB2 ARG 18 HB2 ARG 18 7.407 -4.544 -8.203 130 HB3 ARG 18 HB1 ARG 18 7.702 -5.758 -6.968 131 HG2 ARG 18 HG2 ARG 18 5.390 -6.262 -6.805 132 HG3 ARG 18 HG1 ARG 18 4.968 -4.876 -7.815 133 HD2 ARG 18 HD2 ARG 18 6.587 -7.252 -8.711 134 HD3 ARG 18 HD1 ARG 18 4.858 -7.053 -8.999 135 HE ARG 18 HE ARG 18 6.543 -4.896 -9.972 136 HH11 ARG 18 HH11 ARG 18 4.933 -7.921 -10.698 137 HH12 ARG 18 HH12 ARG 18 4.922 -7.649 -12.416 138 HH21 ARG 18 HH21 ARG 18 6.527 -4.526 -12.215 139 HH22 ARG 18 HH22 ARG 18 5.804 -5.694 -13.285 140 H VAL 19 HN VAL 19 4.489 -3.016 -6.033 141 HA VAL 19 HA VAL 19 4.836 -0.831 -7.877 142 HB VAL 19 HB VAL 19 2.570 -1.562 -5.996 143 HG11 VAL 19 HG11 VAL 19 2.604 0.827 -6.144 144 HG12 VAL 19 HG12 VAL 19 1.294 0.223 -7.159 145 HG13 VAL 19 HG13 VAL 19 2.802 0.764 -7.890 146 HG21 VAL 19 HG21 VAL 19 2.682 -1.501 -9.010 147 HG22 VAL 19 HG22 VAL 19 1.413 -2.185 -7.989 148 HG23 VAL 19 HG23 VAL 19 3.012 -2.934 -8.042 149 H VAL 20 HN VAL 20 4.930 -1.398 -4.480 150 HA VAL 20 HA VAL 20 5.081 1.318 -3.643 151 HB VAL 20 HB VAL 20 5.684 -1.350 -2.359 152 HG11 VAL 20 HG11 VAL 20 6.209 -0.199 -0.248 153 HG12 VAL 20 HG12 VAL 20 6.220 1.343 -1.106 154 HG13 VAL 20 HG13 VAL 20 7.415 0.110 -1.496 155 HG21 VAL 20 HG21 VAL 20 3.361 -0.699 -2.470 156 HG22 VAL 20 HG22 VAL 20 3.727 0.859 -1.736 157 HG23 VAL 20 HG23 VAL 20 3.910 -0.619 -0.797 158 H SER 21 HN SER 21 7.461 -1.116 -4.631 159 HA SER 21 HA SER 21 9.752 0.205 -3.620 160 HB2 SER 21 HB2 SER 21 10.992 -1.164 -5.332 161 HB3 SER 21 HB1 SER 21 9.904 -2.140 -4.343 162 HG SER 21 HG SER 21 9.785 -1.492 -7.051 163 H GLU 22 HN GLU 22 8.225 0.207 -6.769 164 HA GLU 22 HA GLU 22 9.982 1.876 -8.126 165 HB2 GLU 22 HB2 GLU 22 7.010 1.577 -8.577 166 HB3 GLU 22 HB1 GLU 22 8.198 2.122 -9.765 167 HG2 GLU 22 HG2 GLU 22 7.862 -0.621 -8.590 168 HG3 GLU 22 HG1 GLU 22 7.707 -0.128 -10.275 169 H GLU 23 HN GLU 23 6.979 2.722 -6.427 170 HA GLU 23 HA GLU 23 7.294 5.488 -7.230 171 HB2 GLU 23 HB2 GLU 23 5.126 4.198 -5.561 172 HB3 GLU 23 HB1 GLU 23 5.067 5.816 -6.220 173 HG2 GLU 23 HG2 GLU 23 5.055 3.230 -7.738 174 HG3 GLU 23 HG1 GLU 23 3.746 4.400 -7.613 175 H SER 24 HN SER 24 8.300 3.635 -4.599 176 HA SER 24 HA SER 24 8.348 5.950 -2.811 177 HB2 SER 24 HB2 SER 24 9.309 3.121 -2.326 178 HB3 SER 24 HB1 SER 24 9.222 4.410 -1.123 179 HG SER 24 HG SER 24 7.119 3.053 -2.429 180 H GLY 25 HN GLY 25 10.390 4.081 -4.913 181 HA2 GLY 25 HA2 GLY 25 12.362 5.030 -5.886 182 HA3 GLY 25 HA1 GLY 25 12.517 6.068 -4.475 183 H ILE 26 HN ILE 26 11.847 3.224 -3.116 184 HA ILE 26 HA ILE 26 14.673 2.709 -2.603 185 HB ILE 26 HB ILE 26 12.447 1.213 -1.258 186 HG12 ILE 26 HG12 ILE 26 13.439 3.911 -0.289 187 HG13 ILE 26 HG11 ILE 26 11.958 3.719 -1.224 188 HG21 ILE 26 HG21 ILE 26 14.745 0.534 -0.839 189 HG22 ILE 26 HG22 ILE 26 14.020 1.208 0.621 190 HG23 ILE 26 HG23 ILE 26 15.153 2.173 -0.327 191 HD11 ILE 26 HD11 ILE 26 11.486 3.864 1.158 192 HD12 ILE 26 HD12 ILE 26 12.556 2.497 1.471 193 HD13 ILE 26 HD13 ILE 26 11.070 2.263 0.552 194 H ALA 27 HN ALA 27 15.543 0.604 -2.690 195 HA ALA 27 HA ALA 27 14.760 -0.872 -4.988 196 HB1 ALA 27 HB1 ALA 27 17.090 -0.731 -4.258 197 HB2 ALA 27 HB2 ALA 27 16.547 -2.409 -4.344 198 HB3 ALA 27 HB3 ALA 27 16.683 -1.602 -2.780 199 H LEU 28 HN LEU 28 13.748 -2.805 -5.158 200 HA LEU 28 HA LEU 28 11.696 -3.432 -3.363 201 HB2 LEU 28 HB2 LEU 28 12.517 -4.280 -5.885 202 HB3 LEU 28 HB1 LEU 28 12.655 -5.720 -4.903 203 HG LEU 28 HG LEU 28 10.140 -4.092 -5.263 204 HD11 LEU 28 HD11 LEU 28 10.724 -5.248 -7.286 205 HD12 LEU 28 HD12 LEU 28 9.369 -6.074 -6.518 206 HD13 LEU 28 HD13 LEU 28 10.998 -6.745 -6.397 207 HD21 LEU 28 HD21 LEU 28 10.598 -6.708 -3.819 208 HD22 LEU 28 HD22 LEU 28 9.021 -5.995 -4.165 209 HD23 LEU 28 HD23 LEU 28 10.141 -5.171 -3.084 210 H GLU 29 HN GLU 29 14.947 -4.728 -3.737 211 HA GLU 29 HA GLU 29 14.699 -6.875 -1.906 212 HB2 GLU 29 HB2 GLU 29 17.234 -5.416 -2.628 213 HB3 GLU 29 HB1 GLU 29 17.073 -7.069 -2.045 214 HG2 GLU 29 HG2 GLU 29 16.015 -6.051 -4.661 215 HG3 GLU 29 HG1 GLU 29 17.512 -6.960 -4.457 216 H GLU 30 HN GLU 30 14.874 -3.537 -1.407 217 HA GLU 30 HA GLU 30 15.954 -3.871 1.318 218 HB2 GLU 30 HB2 GLU 30 15.701 -1.316 -0.285 219 HB3 GLU 30 HB1 GLU 30 16.479 -1.495 1.285 220 HG2 GLU 30 HG2 GLU 30 18.148 -3.000 0.199 221 HG3 GLU 30 HG1 GLU 30 17.405 -2.603 -1.352 222 H LEU 31 HN LEU 31 13.108 -3.745 -0.264 223 HA LEU 31 HA LEU 31 11.679 -1.969 1.470 224 HB2 LEU 31 HB2 LEU 31 10.866 -2.633 -0.809 225 HB3 LEU 31 HB1 LEU 31 10.550 -4.245 -0.177 226 HG LEU 31 HG LEU 31 9.027 -3.153 1.526 227 HD11 LEU 31 HD11 LEU 31 9.958 -0.894 1.327 228 HD12 LEU 31 HD12 LEU 31 8.215 -0.923 1.051 229 HD13 LEU 31 HD13 LEU 31 9.322 -0.787 -0.315 230 HD21 LEU 31 HD21 LEU 31 7.177 -2.900 -0.058 231 HD22 LEU 31 HD22 LEU 31 8.153 -4.329 -0.400 232 HD23 LEU 31 HD23 LEU 31 8.333 -2.883 -1.388 233 H THR 32 HN THR 32 11.648 -2.377 3.543 234 HA THR 32 HA THR 32 11.134 -5.131 4.430 235 HB THR 32 HB THR 32 12.251 -4.538 6.537 236 HG1 THR 32 HG1 THR 32 13.416 -2.228 5.915 237 HG21 THR 32 HG21 THR 32 13.764 -5.411 4.877 238 HG22 THR 32 HG22 THR 32 14.568 -4.063 5.673 239 HG23 THR 32 HG23 THR 32 13.870 -3.845 4.066 240 H ASP 33 HN ASP 33 9.786 -5.237 6.461 241 HA ASP 33 HA ASP 33 7.484 -3.543 6.091 242 HB2 ASP 33 HB2 ASP 33 6.377 -4.963 7.646 243 HB3 ASP 33 HB1 ASP 33 7.390 -6.002 6.651 244 H ASP 34 HN ASP 34 10.309 -3.328 7.845 245 HA ASP 34 HA ASP 34 9.231 -1.962 10.152 246 HB2 ASP 34 HB2 ASP 34 11.242 -3.443 10.270 247 HB3 ASP 34 HB1 ASP 34 12.115 -2.264 9.290 248 H SER 35 HN SER 35 10.333 -1.140 7.010 249 HA SER 35 HA SER 35 11.221 1.522 7.547 250 HB2 SER 35 HB2 SER 35 10.842 1.859 5.066 251 HB3 SER 35 HB1 SER 35 11.867 0.476 5.448 252 HG SER 35 HG SER 35 9.475 -0.495 5.395 253 H ASN 36 HN ASN 36 10.219 3.460 7.212 254 HA ASN 36 HA ASN 36 7.289 3.367 7.578 255 HB2 ASN 36 HB2 ASN 36 8.692 4.121 9.549 256 HB3 ASN 36 HB1 ASN 36 9.226 5.474 8.572 257 HD21 ASN 36 HD21 ASN 36 6.645 4.273 10.567 258 HD22 ASN 36 HD22 ASN 36 5.638 5.663 10.407 259 H PHE 37 HN PHE 37 6.127 4.413 6.068 260 HA PHE 37 HA PHE 37 7.273 5.373 3.717 261 HB2 PHE 37 HB2 PHE 37 4.535 5.627 4.915 262 HB3 PHE 37 HB1 PHE 37 4.937 6.517 3.447 263 HD1 PHE 37 HD1 PHE 37 6.300 4.972 1.706 264 HD2 PHE 37 HD2 PHE 37 3.455 3.607 4.558 265 HE1 PHE 37 HE1 PHE 37 5.895 2.984 0.338 266 HE2 PHE 37 HE2 PHE 37 3.044 1.602 3.188 267 HZ PHE 37 HZ PHE 37 4.265 1.290 1.073 268 H ALA 38 HN ALA 38 5.938 7.213 6.457 269 HA ALA 38 HA ALA 38 6.461 9.753 5.286 270 HB1 ALA 38 HB1 ALA 38 4.715 9.390 6.959 271 HB2 ALA 38 HB2 ALA 38 5.836 10.659 7.448 272 HB3 ALA 38 HB3 ALA 38 5.949 9.056 8.171 273 H ASP 39 HN ASP 39 8.278 7.577 7.309 274 HA ASP 39 HA ASP 39 10.268 9.456 8.128 275 HB2 ASP 39 HB2 ASP 39 9.831 7.368 9.383 276 HB3 ASP 39 HB1 ASP 39 10.415 6.428 8.010 277 H MET 40 HN MET 40 9.765 7.454 5.367 278 HA MET 40 HA MET 40 12.493 7.685 4.432 279 HB2 MET 40 HB2 MET 40 10.023 6.362 3.388 280 HB3 MET 40 HB1 MET 40 11.399 6.619 2.321 281 HG2 MET 40 HG2 MET 40 11.644 5.271 4.980 282 HG3 MET 40 HG1 MET 40 11.276 4.390 3.495 283 HE1 MET 40 HE1 MET 40 15.034 3.485 4.204 284 HE2 MET 40 HE2 MET 40 13.397 2.860 4.005 285 HE3 MET 40 HE3 MET 40 13.815 3.804 5.438 286 H GLY 41 HN GLY 41 9.539 9.404 4.101 287 HA2 GLY 41 HA2 GLY 41 9.667 11.714 3.340 288 HA3 GLY 41 HA1 GLY 41 10.866 11.205 2.160 289 H ILE 42 HN ILE 42 8.081 9.208 2.654 290 HA ILE 42 HA ILE 42 7.265 9.491 -0.058 291 HB ILE 42 HB ILE 42 5.944 8.129 2.297 292 HG12 ILE 42 HG12 ILE 42 8.100 7.228 1.486 293 HG13 ILE 42 HG11 ILE 42 6.766 6.101 1.267 294 HG21 ILE 42 HG21 ILE 42 5.121 8.089 -0.603 295 HG22 ILE 42 HG22 ILE 42 4.195 8.730 0.757 296 HG23 ILE 42 HG23 ILE 42 4.510 7.000 0.642 297 HD11 ILE 42 HD11 ILE 42 6.637 6.746 -1.097 298 HD12 ILE 42 HD12 ILE 42 8.219 6.093 -0.663 299 HD13 ILE 42 HD13 ILE 42 8.008 7.833 -0.858 300 H ASP 43 HN ASP 43 6.400 11.296 -0.767 301 HA ASP 43 HA ASP 43 4.730 12.989 0.882 302 HB2 ASP 43 HB2 ASP 43 5.747 13.149 -1.939 303 HB3 ASP 43 HB1 ASP 43 4.446 14.205 -1.412 304 H SER 44 HN SER 44 2.726 13.908 -0.282 305 HA SER 44 HA SER 44 0.733 11.953 -0.395 306 HB2 SER 44 HB2 SER 44 -0.554 13.946 -1.505 307 HB3 SER 44 HB1 SER 44 0.012 14.107 0.164 308 H LEU 45 HN LEU 45 2.562 13.583 -2.914 309 HA LEU 45 HA LEU 45 1.155 12.841 -5.184 310 HB2 LEU 45 HB2 LEU 45 3.166 14.390 -5.012 311 HB3 LEU 45 HB1 LEU 45 4.180 12.963 -4.958 312 HG LEU 45 HG LEU 45 4.011 14.160 -7.177 313 HD11 LEU 45 HD11 LEU 45 4.894 11.899 -6.978 314 HD12 LEU 45 HD12 LEU 45 3.999 12.115 -8.481 315 HD13 LEU 45 HD13 LEU 45 3.264 11.246 -7.134 316 HD21 LEU 45 HD21 LEU 45 2.068 13.608 -8.578 317 HD22 LEU 45 HD22 LEU 45 1.637 14.619 -7.200 318 HD23 LEU 45 HD23 LEU 45 1.276 12.891 -7.175 319 H SER 46 HN SER 46 3.971 11.125 -3.818 320 HA SER 46 HA SER 46 3.774 8.900 -5.508 321 HB2 SER 46 HB2 SER 46 4.966 9.020 -2.732 322 HB3 SER 46 HB1 SER 46 5.337 7.823 -3.973 323 HG SER 46 HG SER 46 6.695 9.177 -4.813 324 H SER 47 HN SER 47 2.497 9.501 -2.272 325 HA SER 47 HA SER 47 1.513 6.959 -1.714 326 HB2 SER 47 HB2 SER 47 0.415 9.654 -0.895 327 HB3 SER 47 HB1 SER 47 -0.032 8.112 -0.160 328 HG SER 47 HG SER 47 2.451 9.460 -0.091 329 H MET 48 HN MET 48 0.073 9.595 -3.569 330 HA MET 48 HA MET 48 -2.476 8.309 -3.848 331 HB2 MET 48 HB2 MET 48 -2.062 10.799 -4.076 332 HB3 MET 48 HB1 MET 48 -1.274 10.467 -5.602 333 HG2 MET 48 HG2 MET 48 -3.482 9.376 -6.304 334 HG3 MET 48 HG1 MET 48 -4.186 10.214 -4.923 335 HE1 MET 48 HE1 MET 48 -5.907 11.398 -6.544 336 HE2 MET 48 HE2 MET 48 -5.185 10.556 -7.916 337 HE3 MET 48 HE3 MET 48 -5.433 12.302 -7.986 338 H VAL 49 HN VAL 49 0.452 8.581 -5.738 339 HA VAL 49 HA VAL 49 -0.507 7.404 -8.118 340 HB VAL 49 HB VAL 49 2.284 7.662 -6.961 341 HG11 VAL 49 HG11 VAL 49 1.559 6.716 -9.739 342 HG12 VAL 49 HG12 VAL 49 2.195 5.700 -8.444 343 HG13 VAL 49 HG13 VAL 49 3.184 6.997 -9.113 344 HG21 VAL 49 HG21 VAL 49 2.565 9.345 -8.740 345 HG22 VAL 49 HG22 VAL 49 1.258 9.770 -7.637 346 HG23 VAL 49 HG23 VAL 49 0.887 9.104 -9.227 347 H ILE 50 HN ILE 50 1.108 6.047 -5.266 348 HA ILE 50 HA ILE 50 1.337 3.417 -6.109 349 HB ILE 50 HB ILE 50 0.855 4.446 -3.310 350 HG12 ILE 50 HG12 ILE 50 3.438 3.702 -4.698 351 HG13 ILE 50 HG11 ILE 50 2.857 5.352 -4.512 352 HG21 ILE 50 HG21 ILE 50 1.903 1.778 -4.249 353 HG22 ILE 50 HG22 ILE 50 0.363 2.074 -3.447 354 HG23 ILE 50 HG23 ILE 50 1.874 2.331 -2.574 355 HD11 ILE 50 HD11 ILE 50 4.549 4.802 -2.861 356 HD12 ILE 50 HD12 ILE 50 3.551 3.473 -2.274 357 HD13 ILE 50 HD13 ILE 50 2.995 5.136 -2.095 358 H GLY 51 HN GLY 51 -1.284 4.856 -4.146 359 HA2 GLY 51 HA2 GLY 51 -2.898 2.540 -4.119 360 HA3 GLY 51 HA1 GLY 51 -3.459 4.170 -3.788 361 H SER 52 HN SER 52 -2.543 5.094 -6.457 362 HA SER 52 HA SER 52 -4.884 4.608 -7.953 363 HB2 SER 52 HB2 SER 52 -2.992 6.503 -8.185 364 HB3 SER 52 HB1 SER 52 -2.428 5.399 -9.444 365 HG SER 52 HG SER 52 -4.189 5.737 -10.606 366 H ARG 53 HN ARG 53 -1.564 3.354 -8.320 367 HA ARG 53 HA ARG 53 -2.145 1.703 -10.529 368 HB2 ARG 53 HB2 ARG 53 0.024 1.374 -8.456 369 HB3 ARG 53 HB1 ARG 53 -0.038 0.560 -10.014 370 HG2 ARG 53 HG2 ARG 53 -0.079 2.913 -11.018 371 HG3 ARG 53 HG1 ARG 53 0.455 3.449 -9.422 372 HD2 ARG 53 HD2 ARG 53 2.530 3.041 -10.221 373 HD3 ARG 53 HD1 ARG 53 2.108 1.377 -9.823 374 HE ARG 53 HE ARG 53 1.233 1.478 -12.334 375 HH11 ARG 53 HH11 ARG 53 4.209 2.729 -10.954 376 HH12 ARG 53 HH12 ARG 53 5.164 2.388 -12.362 377 HH21 ARG 53 HH21 ARG 53 2.482 1.010 -14.194 378 HH22 ARG 53 HH22 ARG 53 4.179 1.386 -14.210 379 H PHE 54 HN PHE 54 -2.524 1.260 -7.085 380 HA PHE 54 HA PHE 54 -2.922 -1.506 -6.951 381 HB2 PHE 54 HB2 PHE 54 -4.235 0.805 -5.507 382 HB3 PHE 54 HB1 PHE 54 -4.685 -0.858 -5.177 383 HD1 PHE 54 HD1 PHE 54 -1.350 -0.892 -5.997 384 HD2 PHE 54 HD2 PHE 54 -3.935 0.249 -2.808 385 HE1 PHE 54 HE1 PHE 54 0.525 -1.070 -4.419 386 HE2 PHE 54 HE2 PHE 54 -2.063 0.056 -1.228 387 HZ PHE 54 HZ PHE 54 0.025 -0.535 -1.869 388 H ARG 55 HN ARG 55 -5.074 1.102 -7.985 389 HA ARG 55 HA ARG 55 -7.286 -0.727 -8.394 390 HB2 ARG 55 HB2 ARG 55 -7.100 2.217 -9.077 391 HB3 ARG 55 HB1 ARG 55 -8.556 1.242 -9.049 392 HG2 ARG 55 HG2 ARG 55 -7.376 0.959 -6.522 393 HG3 ARG 55 HG1 ARG 55 -7.304 2.675 -6.927 394 HD2 ARG 55 HD2 ARG 55 -9.758 0.928 -6.986 395 HD3 ARG 55 HD1 ARG 55 -9.376 2.154 -5.779 396 HE ARG 55 HE ARG 55 -9.520 3.786 -7.663 397 HH11 ARG 55 HH11 ARG 55 -11.237 0.722 -7.827 398 HH12 ARG 55 HH12 ARG 55 -12.456 1.330 -8.905 399 HH21 ARG 55 HH21 ARG 55 -11.139 4.564 -9.082 400 HH22 ARG 55 HH22 ARG 55 -12.388 3.484 -9.628 401 H GLU 56 HN GLU 56 -4.881 0.952 -10.327 402 HA GLU 56 HA GLU 56 -6.332 0.456 -12.783 403 HB2 GLU 56 HB2 GLU 56 -3.647 1.755 -12.292 404 HB3 GLU 56 HB1 GLU 56 -4.472 1.691 -13.846 405 HG2 GLU 56 HG2 GLU 56 -6.328 2.980 -12.909 406 HG3 GLU 56 HG1 GLU 56 -5.493 3.046 -11.358 407 H ASP 57 HN ASP 57 -3.246 -0.544 -11.353 408 HA ASP 57 HA ASP 57 -2.723 -2.323 -13.578 409 HB2 ASP 57 HB2 ASP 57 -1.153 -1.636 -11.091 410 HB3 ASP 57 HB1 ASP 57 -0.644 -2.888 -12.215 411 H LEU 58 HN LEU 58 -3.271 -2.633 -10.072 412 HA LEU 58 HA LEU 58 -3.219 -5.524 -10.264 413 HB2 LEU 58 HB2 LEU 58 -3.398 -3.558 -8.015 414 HB3 LEU 58 HB1 LEU 58 -3.914 -5.210 -7.738 415 HG LEU 58 HG LEU 58 -1.681 -6.030 -8.336 416 HD11 LEU 58 HD11 LEU 58 -1.075 -4.223 -9.911 417 HD12 LEU 58 HD12 LEU 58 0.176 -4.547 -8.710 418 HD13 LEU 58 HD13 LEU 58 -0.870 -3.135 -8.537 419 HD21 LEU 58 HD21 LEU 58 -0.477 -5.122 -6.387 420 HD22 LEU 58 HD22 LEU 58 -2.146 -5.552 -6.017 421 HD23 LEU 58 HD23 LEU 58 -1.701 -3.862 -6.242 422 H GLY 59 HN GLY 59 -5.644 -3.029 -9.530 423 HA2 GLY 59 HA2 GLY 59 -7.892 -3.253 -10.346 424 HA3 GLY 59 HA1 GLY 59 -7.718 -4.999 -10.230 425 H LEU 60 HN LEU 60 -6.506 -3.116 -7.628 426 HA LEU 60 HA LEU 60 -8.348 -4.328 -5.790 427 HB2 LEU 60 HB2 LEU 60 -6.173 -2.272 -5.418 428 HB3 LEU 60 HB1 LEU 60 -7.118 -2.939 -4.101 429 HG LEU 60 HG LEU 60 -5.379 -4.603 -5.915 430 HD11 LEU 60 HD11 LEU 60 -3.772 -4.609 -4.061 431 HD12 LEU 60 HD12 LEU 60 -4.791 -3.479 -3.170 432 HD13 LEU 60 HD13 LEU 60 -4.027 -2.976 -4.678 433 HD21 LEU 60 HD21 LEU 60 -6.682 -5.176 -3.251 434 HD22 LEU 60 HD22 LEU 60 -5.657 -6.277 -4.171 435 HD23 LEU 60 HD23 LEU 60 -7.224 -5.791 -4.814 436 H ASP 61 HN ASP 61 -10.040 -3.362 -4.691 437 HA ASP 61 HA ASP 61 -10.681 -0.613 -5.485 438 HB2 ASP 61 HB2 ASP 61 -12.441 -2.871 -4.526 439 HB3 ASP 61 HB1 ASP 61 -12.991 -1.195 -4.528 440 H LEU 62 HN LEU 62 -9.226 0.307 -4.001 441 HA LEU 62 HA LEU 62 -9.706 -0.062 -1.158 442 HB2 LEU 62 HB2 LEU 62 -7.915 1.875 -2.637 443 HB3 LEU 62 HB1 LEU 62 -8.020 1.768 -0.896 444 HG LEU 62 HG LEU 62 -6.023 0.685 -1.556 445 HD11 LEU 62 HD11 LEU 62 -8.109 -1.392 -0.928 446 HD12 LEU 62 HD12 LEU 62 -7.173 -0.438 0.225 447 HD13 LEU 62 HD13 LEU 62 -6.364 -1.622 -0.801 448 HD21 LEU 62 HD21 LEU 62 -6.527 0.335 -3.900 449 HD22 LEU 62 HD22 LEU 62 -7.663 -0.945 -3.480 450 HD23 LEU 62 HD23 LEU 62 -5.941 -1.155 -3.159 451 H GLY 63 HN GLY 63 -10.541 2.061 -3.735 452 HA2 GLY 63 HA2 GLY 63 -12.601 3.469 -3.286 453 HA3 GLY 63 HA1 GLY 63 -11.708 4.002 -1.865 454 HA PRO 64 HA PRO 64 -10.436 6.588 -5.535 455 HB2 PRO 64 HB2 PRO 64 -12.072 8.704 -5.390 456 HB3 PRO 64 HB1 PRO 64 -12.578 7.188 -6.164 457 HG2 PRO 64 HG2 PRO 64 -13.240 8.243 -3.452 458 HG3 PRO 64 HG1 PRO 64 -14.283 7.396 -4.602 459 HD2 PRO 64 HD2 PRO 64 -13.002 6.231 -2.419 460 HD3 PRO 64 HD1 PRO 64 -13.641 5.356 -3.825 461 H GLU 65 HN GLU 65 -10.715 6.963 -2.192 462 HA GLU 65 HA GLU 65 -9.038 9.387 -2.240 463 HB2 GLU 65 HB2 GLU 65 -11.239 8.709 -0.283 464 HB3 GLU 65 HB1 GLU 65 -10.192 10.123 -0.187 465 HG2 GLU 65 HG2 GLU 65 -11.122 11.055 -2.160 466 HG3 GLU 65 HG1 GLU 65 -11.959 9.555 -2.552 467 H PHE 66 HN PHE 66 -8.451 6.446 -1.969 468 HA PHE 66 HA PHE 66 -7.414 6.187 0.714 469 HB2 PHE 66 HB2 PHE 66 -8.229 4.202 -0.485 470 HB3 PHE 66 HB1 PHE 66 -7.031 4.460 -1.747 471 HD1 PHE 66 HD2 PHE 66 -7.499 3.501 1.787 472 HD2 PHE 66 HD1 PHE 66 -4.807 3.703 -1.507 473 HE1 PHE 66 HE2 PHE 66 -5.912 2.067 2.996 474 HE2 PHE 66 HE1 PHE 66 -3.227 2.268 -0.302 475 HZ PHE 66 HZ PHE 66 -3.773 1.444 1.953 476 H SER 67 HN SER 67 -5.619 7.217 1.321 477 HA SER 67 HA SER 67 -3.432 7.446 -0.638 478 HB2 SER 67 HB2 SER 67 -4.355 9.657 1.220 479 HB3 SER 67 HB1 SER 67 -2.969 9.734 0.129 480 HG SER 67 HG SER 67 -5.437 9.040 -0.965 481 H LEU 68 HN LEU 68 -1.692 6.462 0.135 482 HA LEU 68 HA LEU 68 -1.484 5.341 2.657 483 HB2 LEU 68 HB2 LEU 68 0.720 6.103 0.757 484 HB3 LEU 68 HB1 LEU 68 0.940 5.091 2.167 485 HG LEU 68 HG LEU 68 -0.728 4.445 -0.262 486 HD11 LEU 68 HD11 LEU 68 1.598 4.196 -0.722 487 HD12 LEU 68 HD12 LEU 68 0.935 2.583 -0.434 488 HD13 LEU 68 HD13 LEU 68 1.872 3.390 0.826 489 HD21 LEU 68 HD21 LEU 68 -1.040 2.250 0.830 490 HD22 LEU 68 HD22 LEU 68 -1.812 3.571 1.712 491 HD23 LEU 68 HD23 LEU 68 -0.285 2.898 2.287 492 H PHE 69 HN PHE 69 -0.289 8.447 1.533 493 HA PHE 69 HA PHE 69 1.338 9.108 3.715 494 HB2 PHE 69 HB2 PHE 69 1.336 10.243 1.508 495 HB3 PHE 69 HB1 PHE 69 -0.228 10.953 1.880 496 HD1 PHE 69 HD1 PHE 69 2.715 10.565 4.075 497 HD2 PHE 69 HD2 PHE 69 0.215 13.233 1.911 498 HE1 PHE 69 HE1 PHE 69 3.867 12.483 5.114 499 HE2 PHE 69 HE2 PHE 69 1.353 15.159 2.941 500 HZ PHE 69 HZ PHE 69 3.152 14.823 4.500 501 H ILE 70 HN ILE 70 -2.030 8.731 3.644 502 HA ILE 70 HA ILE 70 -2.318 10.434 6.042 503 HB ILE 70 HB ILE 70 -4.395 10.002 3.862 504 HG12 ILE 70 HG12 ILE 70 -2.954 12.499 4.792 505 HG13 ILE 70 HG11 ILE 70 -2.663 11.654 3.278 506 HG21 ILE 70 HG21 ILE 70 -5.418 10.007 6.089 507 HG22 ILE 70 HG22 ILE 70 -5.870 11.428 5.145 508 HG23 ILE 70 HG23 ILE 70 -4.663 11.569 6.423 509 HD11 ILE 70 HD11 ILE 70 -4.024 13.640 2.936 510 HD12 ILE 70 HD12 ILE 70 -5.238 13.005 4.049 511 HD13 ILE 70 HD13 ILE 70 -4.916 12.174 2.529 512 H ASP 71 HN ASP 71 -3.143 7.463 4.398 513 HA ASP 71 HA ASP 71 -4.844 6.626 6.618 514 HB2 ASP 71 HB2 ASP 71 -4.420 5.515 3.851 515 HB3 ASP 71 HB1 ASP 71 -5.437 4.755 5.063 516 H CYS 72 HN CYS 72 -1.669 6.236 5.634 517 HA CYS 72 HA CYS 72 -1.364 3.833 7.245 518 HB2 CYS 72 HB2 CYS 72 -0.347 4.070 4.402 519 HB3 CYS 72 HB1 CYS 72 0.088 2.781 5.519 520 HG CYS 72 HG CYS 72 -3.159 2.884 5.438 521 H THR 73 HN THR 73 1.029 3.396 7.627 522 HA THR 73 HA THR 73 2.554 5.907 7.591 523 HB THR 73 HB THR 73 3.118 5.640 9.962 524 HG1 THR 73 HG1 THR 73 1.106 3.745 10.404 525 HG21 THR 73 HG21 THR 73 0.737 5.971 10.863 526 HG22 THR 73 HG22 THR 73 0.211 5.704 9.189 527 HG23 THR 73 HG23 THR 73 1.275 7.059 9.580 528 H THR 74 HN THR 74 2.982 2.606 8.941 529 HA THR 74 HA THR 74 5.656 2.520 7.800 530 HB THR 74 HB THR 74 5.895 0.385 8.968 531 HG1 THR 74 HG1 THR 74 3.656 0.294 10.427 532 HG21 THR 74 HG21 THR 74 6.311 2.414 10.256 533 HG22 THR 74 HG22 THR 74 5.593 1.171 11.285 534 HG23 THR 74 HG23 THR 74 4.604 2.503 10.692 535 H VAL 75 HN VAL 75 6.174 0.112 6.855 536 HA VAL 75 HA VAL 75 4.551 0.030 4.494 537 HB VAL 75 HB VAL 75 7.156 -1.232 5.256 538 HG11 VAL 75 HG11 VAL 75 5.782 -3.049 4.229 539 HG12 VAL 75 HG12 VAL 75 7.165 -2.580 3.240 540 HG13 VAL 75 HG13 VAL 75 5.547 -2.024 2.816 541 HG21 VAL 75 HG21 VAL 75 6.162 0.350 2.886 542 HG22 VAL 75 HG22 VAL 75 7.828 -0.174 3.156 543 HG23 VAL 75 HG23 VAL 75 7.084 0.988 4.255 544 H ARG 76 HN ARG 76 5.177 -2.028 7.260 545 HA ARG 76 HA ARG 76 3.693 -4.279 6.523 546 HB2 ARG 76 HB2 ARG 76 5.177 -4.250 8.456 547 HB3 ARG 76 HB1 ARG 76 4.140 -3.077 9.262 548 HG2 ARG 76 HG2 ARG 76 3.552 -5.080 10.254 549 HG3 ARG 76 HG1 ARG 76 2.308 -4.856 9.029 550 HD2 ARG 76 HD2 ARG 76 2.968 -7.129 8.932 551 HD3 ARG 76 HD1 ARG 76 3.652 -6.338 7.512 552 HE ARG 76 HE ARG 76 5.724 -6.172 9.117 553 HH11 ARG 76 HH11 ARG 76 3.498 -8.866 8.842 554 HH12 ARG 76 HH12 ARG 76 4.710 -10.061 9.165 555 HH21 ARG 76 HH21 ARG 76 7.306 -7.730 9.596 556 HH22 ARG 76 HH22 ARG 76 6.885 -9.422 9.583 557 H ALA 77 HN ALA 77 2.699 -1.169 7.854 558 HA ALA 77 HA ALA 77 0.084 -1.771 8.591 559 HB1 ALA 77 HB1 ALA 77 -0.390 0.609 8.328 560 HB2 ALA 77 HB2 ALA 77 1.108 0.817 7.420 561 HB3 ALA 77 HB3 ALA 77 1.164 0.356 9.120 562 H LEU 78 HN LEU 78 1.421 -1.045 5.417 563 HA LEU 78 HA LEU 78 -1.047 -0.984 3.993 564 HB2 LEU 78 HB2 LEU 78 1.570 -0.480 3.375 565 HB3 LEU 78 HB1 LEU 78 1.322 -2.011 2.577 566 HG LEU 78 HG LEU 78 -0.420 0.399 2.103 567 HD11 LEU 78 HD11 LEU 78 1.783 1.054 1.508 568 HD12 LEU 78 HD12 LEU 78 0.967 0.611 0.008 569 HD13 LEU 78 HD13 LEU 78 2.116 -0.502 0.757 570 HD21 LEU 78 HD21 LEU 78 0.026 -2.133 0.515 571 HD22 LEU 78 HD22 LEU 78 -0.949 -0.755 0.002 572 HD23 LEU 78 HD23 LEU 78 -1.433 -1.699 1.410 573 H LYS 79 HN LYS 79 1.404 -3.450 4.564 574 HA LYS 79 HA LYS 79 0.394 -5.597 3.120 575 HB2 LYS 79 HB2 LYS 79 1.717 -5.837 5.822 576 HB3 LYS 79 HB1 LYS 79 1.731 -7.004 4.498 577 HG2 LYS 79 HG2 LYS 79 2.958 -4.254 4.251 578 HG3 LYS 79 HG1 LYS 79 3.894 -5.607 4.888 579 HD2 LYS 79 HD2 LYS 79 4.427 -5.852 2.703 580 HD3 LYS 79 HD1 LYS 79 2.885 -6.710 2.651 581 HE2 LYS 79 HE2 LYS 79 2.998 -5.134 0.818 582 HE3 LYS 79 HE1 LYS 79 1.767 -4.621 1.972 583 HZ1 LYS 79 HZ1 LYS 79 3.093 -2.753 1.255 584 HZ2 LYS 79 HZ2 LYS 79 4.515 -3.519 1.759 585 HZ3 LYS 79 HZ3 LYS 79 3.360 -3.043 2.903 586 H ASP 80 HN ASP 80 0.025 -5.075 6.606 587 HA ASP 80 HA ASP 80 -1.833 -7.056 7.145 588 HB2 ASP 80 HB2 ASP 80 -1.266 -4.415 8.455 589 HB3 ASP 80 HB1 ASP 80 -2.539 -5.466 9.064 590 H PHE 81 HN PHE 81 -2.379 -3.785 6.023 591 HA PHE 81 HA PHE 81 -5.153 -3.665 6.375 592 HB2 PHE 81 HB2 PHE 81 -3.732 -1.700 5.853 593 HB3 PHE 81 HB1 PHE 81 -3.505 -2.318 4.218 594 HD1 PHE 81 HD1 PHE 81 -6.004 -0.998 6.598 595 HD2 PHE 81 HD2 PHE 81 -5.131 -1.975 2.548 596 HE1 PHE 81 HE1 PHE 81 -8.057 0.155 5.878 597 HE2 PHE 81 HE2 PHE 81 -7.180 -0.824 1.823 598 HZ PHE 81 HZ PHE 81 -8.649 0.239 3.489 599 H MET 82 HN MET 82 -3.214 -4.789 3.652 600 HA MET 82 HA MET 82 -5.319 -5.185 1.829 601 HB2 MET 82 HB2 MET 82 -2.805 -6.822 1.893 602 HB3 MET 82 HB1 MET 82 -3.766 -6.355 0.494 603 HG2 MET 82 HG2 MET 82 -3.138 -4.013 0.850 604 HG3 MET 82 HG1 MET 82 -2.138 -4.506 2.220 605 HE1 MET 82 HE1 MET 82 -2.837 -5.248 -1.538 606 HE2 MET 82 HE2 MET 82 -1.249 -4.882 -2.220 607 HE3 MET 82 HE3 MET 82 -2.170 -3.617 -1.399 608 H LEU 83 HN LEU 83 -3.767 -7.440 4.098 609 HA LEU 83 HA LEU 83 -5.323 -9.679 3.383 610 HB2 LEU 83 HB2 LEU 83 -3.749 -9.003 5.867 611 HB3 LEU 83 HB1 LEU 83 -4.627 -10.514 5.717 612 HG LEU 83 HG LEU 83 -3.246 -11.020 3.673 613 HD11 LEU 83 HD11 LEU 83 -1.672 -8.625 4.569 614 HD12 LEU 83 HD12 LEU 83 -2.574 -8.792 3.062 615 HD13 LEU 83 HD13 LEU 83 -1.159 -9.801 3.360 616 HD21 LEU 83 HD21 LEU 83 -1.235 -11.648 4.908 617 HD22 LEU 83 HD22 LEU 83 -2.682 -11.990 5.857 618 HD23 LEU 83 HD23 LEU 83 -1.696 -10.573 6.227 619 H GLY 84 HN GLY 84 -6.137 -6.886 5.218 620 HA2 GLY 84 HA2 GLY 84 -8.655 -6.735 5.158 621 HA3 GLY 84 HA1 GLY 84 -8.626 -8.258 6.026 622 H SER 85 HN SER 85 -6.269 -5.797 6.847 623 HA SER 85 HA SER 85 -7.501 -5.538 9.444 624 HB2 SER 85 HB2 SER 85 -4.995 -4.280 8.291 625 HB3 SER 85 HB1 SER 85 -5.543 -4.072 9.955 626 HG SER 85 HG SER 85 -4.463 -6.317 8.690 627 H GLY 86 HN GLY 86 -8.968 -4.568 7.163 628 HA2 GLY 86 HA2 GLY 86 -9.096 -1.674 7.719 629 HA3 GLY 86 HA1 GLY 86 -9.774 -2.471 6.300 630 H ASP 87 HN ASP 87 -10.073 -3.975 9.359 631 HA ASP 87 HA ASP 87 -12.878 -4.230 9.221 632 HB2 ASP 87 HB2 ASP 87 -11.562 -5.890 10.344 633 HB3 ASP 87 HB1 ASP 87 -10.872 -4.696 11.432 634 H ALA 88 HN ALA 88 -10.911 -1.704 10.357 635 HA ALA 88 HA ALA 88 -12.730 -0.729 12.372 636 HB1 ALA 88 HB1 ALA 88 -10.333 -0.497 12.685 637 HB2 ALA 88 HB2 ALA 88 -11.117 1.084 12.639 638 HB3 ALA 88 HB3 ALA 88 -10.225 0.500 11.234 639 H GLY 89 HN GLY 89 -12.744 -0.570 9.035 640 HA2 GLY 89 HA2 GLY 89 -14.373 1.874 9.141 641 HA3 GLY 89 HA1 GLY 89 -13.090 1.749 7.946 642 H282 PNS 90 H28A PNS 44 0.163 15.927 -4.526 643 H281 PNS 90 H28B PNS 44 0.266 14.394 -3.666 644 H303 PNS 90 H30A PNS 44 -0.334 14.143 -6.340 645 H302 PNS 90 H30B PNS 44 -1.871 13.281 -6.278 646 H301 PNS 90 H30C PNS 44 -0.581 12.870 -5.149 647 H313 PNS 90 H31A PNS 44 -2.931 14.759 -3.040 648 H312 PNS 90 H31B PNS 44 -2.114 13.210 -3.248 649 H311 PNS 90 H31C PNS 44 -3.431 13.663 -4.330 650 H32 PNS 90 H32A PNS 44 -1.585 16.395 -6.037 651 H33 PNS 90 H33A PNS 44 -3.213 14.289 -6.350 652 H36 PNS 90 H36A PNS 44 -4.751 16.225 -5.491 653 H372 PNS 90 H37A PNS 44 -5.361 17.294 -3.012 654 H371 PNS 90 H37B PNS 44 -4.977 18.658 -4.061 655 H382 PNS 90 H38A PNS 44 -6.710 17.987 -5.618 656 H381 PNS 90 H38B PNS 44 -7.039 16.543 -4.664 657 H41 PNS 90 H41A PNS 44 -9.135 17.923 -5.151 658 H422 PNS 90 H42A PNS 44 -10.030 18.923 -2.601 659 H421 PNS 90 H42B PNS 44 -10.030 20.119 -3.899 660 H431 PNS 90 H43A PNS 44 -11.477 18.677 -5.232 661 H432 PNS 90 H43B PNS 44 -12.213 19.075 -3.677 662 H44 PNS 90 H1 PNS 44 -10.661 16.099 -4.384 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 -21.742 2.587 7.466 2 H2 ALA 1 HT2 ALA 1 -21.564 3.661 8.767 3 H3 ALA 1 HT3 ALA 1 -20.666 2.224 8.725 4 HA ALA 1 HA ALA 1 -20.430 4.446 6.790 5 HB1 ALA 1 HB1 ALA 1 -18.268 4.892 7.848 6 HB2 ALA 1 HB2 ALA 1 -18.605 3.649 9.054 7 HB3 ALA 1 HB3 ALA 1 -19.603 5.101 8.981 8 H MET 2 HN MET 2 -18.437 1.806 8.155 9 HA MET 2 HA MET 2 -18.095 0.739 5.466 10 HB2 MET 2 HB2 MET 2 -16.291 2.425 5.782 11 HB3 MET 2 HB1 MET 2 -15.738 1.538 7.194 12 HG2 MET 2 HG2 MET 2 -14.347 1.041 5.282 13 HG3 MET 2 HG1 MET 2 -15.235 -0.396 5.785 14 HE1 MET 2 HE1 MET 2 -16.469 2.741 3.726 15 HE2 MET 2 HE2 MET 2 -16.258 2.156 2.076 16 HE3 MET 2 HE3 MET 2 -14.850 2.426 3.101 17 H ALA 3 HN ALA 3 -17.348 -1.439 5.444 18 HA ALA 3 HA ALA 3 -16.729 -2.824 7.875 19 HB1 ALA 3 HB1 ALA 3 -19.161 -2.729 8.097 20 HB2 ALA 3 HB2 ALA 3 -18.643 -4.380 7.760 21 HB3 ALA 3 HB3 ALA 3 -19.351 -3.398 6.477 22 H LYS 4 HN LYS 4 -15.685 -4.727 7.414 23 HA LYS 4 HA LYS 4 -14.714 -6.411 6.249 24 HB2 LYS 4 HB2 LYS 4 -17.087 -6.478 5.125 25 HB3 LYS 4 HB1 LYS 4 -16.258 -5.736 3.763 26 HG2 LYS 4 HG2 LYS 4 -16.314 -8.078 3.398 27 HG3 LYS 4 HG1 LYS 4 -14.657 -7.635 3.808 28 HD2 LYS 4 HD2 LYS 4 -15.277 -9.667 4.969 29 HD3 LYS 4 HD1 LYS 4 -15.054 -8.349 6.123 30 HE2 LYS 4 HE2 LYS 4 -17.520 -8.003 6.101 31 HE3 LYS 4 HE1 LYS 4 -17.667 -9.436 5.082 32 HZ1 LYS 4 HZ1 LYS 4 -16.523 -9.366 7.824 33 HZ2 LYS 4 HZ2 LYS 4 -16.649 -10.748 6.848 34 HZ3 LYS 4 HZ3 LYS 4 -18.054 -9.967 7.409 35 H GLY 5 HN GLY 5 -13.740 -6.551 3.670 36 HA2 GLY 5 HA2 GLY 5 -12.615 -4.066 2.818 37 HA3 GLY 5 HA1 GLY 5 -11.467 -5.021 3.743 38 H VAL 6 HN VAL 6 -10.074 -5.575 2.143 39 HA VAL 6 HA VAL 6 -11.131 -6.741 -0.308 40 HB VAL 6 HB VAL 6 -8.286 -6.031 0.382 41 HG11 VAL 6 HG11 VAL 6 -9.550 -6.709 -2.270 42 HG12 VAL 6 HG12 VAL 6 -8.469 -7.755 -1.349 43 HG13 VAL 6 HG13 VAL 6 -7.874 -6.234 -2.019 44 HG21 VAL 6 HG21 VAL 6 -8.612 -4.070 -1.047 45 HG22 VAL 6 HG22 VAL 6 -9.713 -4.050 0.334 46 HG23 VAL 6 HG23 VAL 6 -10.305 -4.512 -1.263 47 H GLY 7 HN GLY 7 -8.177 -7.528 1.512 48 HA2 GLY 7 HA2 GLY 7 -7.572 -9.586 2.479 49 HA3 GLY 7 HA1 GLY 7 -9.061 -10.288 1.853 50 H VAL 8 HN VAL 8 -5.733 -9.510 1.149 51 HA VAL 8 HA VAL 8 -6.055 -10.605 -1.562 52 HB VAL 8 HB VAL 8 -4.049 -9.531 -2.242 53 HG11 VAL 8 HG11 VAL 8 -4.439 -7.205 -1.835 54 HG12 VAL 8 HG12 VAL 8 -5.382 -7.568 -0.393 55 HG13 VAL 8 HG13 VAL 8 -5.992 -8.030 -1.979 56 HG21 VAL 8 HG21 VAL 8 -2.548 -8.341 -0.689 57 HG22 VAL 8 HG22 VAL 8 -2.614 -10.078 -0.391 58 HG23 VAL 8 HG23 VAL 8 -3.490 -8.967 0.667 59 H SER 9 HN SER 9 -4.498 -12.143 -2.349 60 HA SER 9 HA SER 9 -3.638 -13.994 -0.299 61 HB2 SER 9 HB2 SER 9 -4.772 -14.661 -2.495 62 HB3 SER 9 HB1 SER 9 -3.238 -14.289 -3.281 63 HG SER 9 HG SER 9 -3.783 -16.251 -1.312 64 H ASN 10 HN ASN 10 -1.360 -15.098 -1.109 65 HA ASN 10 HA ASN 10 0.515 -13.135 -0.246 66 HB2 ASN 10 HB2 ASN 10 0.700 -15.521 0.372 67 HB3 ASN 10 HB1 ASN 10 1.012 -15.929 -1.309 68 HD21 ASN 10 HD21 ASN 10 2.303 -14.532 1.595 69 HD22 ASN 10 HD22 ASN 10 3.946 -14.456 1.063 70 H GLU 11 HN GLU 11 -0.408 -14.436 -3.324 71 HA GLU 11 HA GLU 11 1.733 -13.498 -4.897 72 HB2 GLU 11 HB2 GLU 11 0.264 -15.060 -5.901 73 HB3 GLU 11 HB1 GLU 11 -1.162 -14.123 -5.471 74 HG2 GLU 11 HG2 GLU 11 -0.163 -12.331 -7.036 75 HG3 GLU 11 HG1 GLU 11 0.826 -13.656 -7.649 76 H LYS 12 HN LYS 12 -1.367 -12.041 -4.049 77 HA LYS 12 HA LYS 12 -0.845 -9.632 -5.472 78 HB2 LYS 12 HB2 LYS 12 -2.992 -10.639 -3.689 79 HB3 LYS 12 HB1 LYS 12 -2.844 -8.889 -3.881 80 HG2 LYS 12 HG2 LYS 12 -3.365 -8.939 -6.104 81 HG3 LYS 12 HG1 LYS 12 -2.753 -10.575 -6.329 82 HD2 LYS 12 HD2 LYS 12 -4.727 -11.471 -5.202 83 HD3 LYS 12 HD1 LYS 12 -5.321 -9.827 -4.924 84 HE2 LYS 12 HE2 LYS 12 -5.482 -9.439 -7.299 85 HE3 LYS 12 HE1 LYS 12 -4.753 -11.005 -7.646 86 HZ1 LYS 12 HZ1 LYS 12 -7.159 -11.034 -7.923 87 HZ2 LYS 12 HZ2 LYS 12 -7.377 -10.583 -6.306 88 HZ3 LYS 12 HZ3 LYS 12 -6.681 -12.084 -6.681 89 H LEU 13 HN LEU 13 0.009 -10.816 -2.378 90 HA LEU 13 HA LEU 13 0.780 -8.313 -1.235 91 HB2 LEU 13 HB2 LEU 13 0.401 -10.451 0.023 92 HB3 LEU 13 HB1 LEU 13 1.894 -11.068 -0.639 93 HG LEU 13 HG LEU 13 3.116 -9.238 0.476 94 HD11 LEU 13 HD11 LEU 13 0.429 -8.599 1.668 95 HD12 LEU 13 HD12 LEU 13 1.365 -7.584 0.571 96 HD13 LEU 13 HD13 LEU 13 1.969 -7.918 2.194 97 HD21 LEU 13 HD21 LEU 13 2.887 -10.084 2.776 98 HD22 LEU 13 HD22 LEU 13 2.954 -11.388 1.589 99 HD23 LEU 13 HD23 LEU 13 1.409 -10.926 2.305 100 H ASP 14 HN ASP 14 2.235 -10.509 -3.531 101 HA ASP 14 HA ASP 14 4.879 -9.359 -3.298 102 HB2 ASP 14 HB2 ASP 14 3.924 -11.744 -4.310 103 HB3 ASP 14 HB1 ASP 14 4.257 -10.846 -5.773 104 H ALA 15 HN ALA 15 2.014 -8.878 -5.175 105 HA ALA 15 HA ALA 15 3.291 -7.465 -7.329 106 HB1 ALA 15 HB1 ALA 15 1.044 -7.096 -8.175 107 HB2 ALA 15 HB2 ALA 15 0.358 -7.643 -6.645 108 HB3 ALA 15 HB3 ALA 15 1.230 -8.779 -7.674 109 H VAL 16 HN VAL 16 1.953 -6.643 -4.257 110 HA VAL 16 HA VAL 16 1.593 -3.870 -4.884 111 HB VAL 16 HB VAL 16 0.202 -4.692 -3.151 112 HG11 VAL 16 HG11 VAL 16 1.085 -5.661 -1.066 113 HG12 VAL 16 HG12 VAL 16 2.715 -5.585 -1.737 114 HG13 VAL 16 HG13 VAL 16 1.501 -6.628 -2.483 115 HG21 VAL 16 HG21 VAL 16 0.969 -2.420 -2.778 116 HG22 VAL 16 HG22 VAL 16 2.412 -3.013 -1.952 117 HG23 VAL 16 HG23 VAL 16 0.819 -3.255 -1.229 118 H MET 17 HN MET 17 4.075 -5.817 -3.320 119 HA MET 17 HA MET 17 5.568 -3.726 -2.222 120 HB2 MET 17 HB2 MET 17 6.527 -6.444 -3.172 121 HB3 MET 17 HB1 MET 17 7.453 -5.337 -2.181 122 HG2 MET 17 HG2 MET 17 5.795 -5.500 -0.410 123 HG3 MET 17 HG1 MET 17 4.854 -6.604 -1.406 124 HE1 MET 17 HE1 MET 17 8.318 -6.106 0.453 125 HE2 MET 17 HE2 MET 17 8.775 -6.504 -1.202 126 HE3 MET 17 HE3 MET 17 9.097 -7.650 0.103 127 H ARG 18 HN ARG 18 5.552 -5.020 -5.503 128 HA ARG 18 HA ARG 18 7.907 -3.640 -6.303 129 HB2 ARG 18 HB2 ARG 18 7.083 -4.083 -8.634 130 HB3 ARG 18 HB1 ARG 18 7.342 -5.496 -7.622 131 HG2 ARG 18 HG2 ARG 18 5.156 -6.016 -7.547 132 HG3 ARG 18 HG1 ARG 18 4.615 -4.343 -7.664 133 HD2 ARG 18 HD2 ARG 18 5.841 -5.909 -9.920 134 HD3 ARG 18 HD1 ARG 18 4.105 -5.709 -9.677 135 HE ARG 18 HE ARG 18 5.893 -3.394 -10.058 136 HH11 ARG 18 HH11 ARG 18 3.091 -5.259 -10.952 137 HH12 ARG 18 HH12 ARG 18 2.425 -4.040 -11.989 138 HH21 ARG 18 HH21 ARG 18 5.071 -1.758 -11.400 139 HH22 ARG 18 HH22 ARG 18 3.595 -2.041 -12.291 140 H VAL 19 HN VAL 19 4.474 -2.831 -6.279 141 HA VAL 19 HA VAL 19 4.765 -0.480 -7.885 142 HB VAL 19 HB VAL 19 2.563 -1.397 -6.007 143 HG11 VAL 19 HG11 VAL 19 2.628 1.061 -7.750 144 HG12 VAL 19 HG12 VAL 19 2.540 1.028 -5.992 145 HG13 VAL 19 HG13 VAL 19 1.194 0.426 -6.959 146 HG21 VAL 19 HG21 VAL 19 2.841 -2.671 -8.095 147 HG22 VAL 19 HG22 VAL 19 2.693 -1.175 -9.020 148 HG23 VAL 19 HG23 VAL 19 1.328 -1.768 -8.082 149 H VAL 20 HN VAL 20 4.906 -1.289 -4.533 150 HA VAL 20 HA VAL 20 5.184 1.367 -3.530 151 HB VAL 20 HB VAL 20 5.767 -1.382 -2.395 152 HG11 VAL 20 HG11 VAL 20 6.330 -0.368 -0.260 153 HG12 VAL 20 HG12 VAL 20 6.217 1.243 -0.975 154 HG13 VAL 20 HG13 VAL 20 7.481 0.132 -1.502 155 HG21 VAL 20 HG21 VAL 20 3.978 -0.727 -0.816 156 HG22 VAL 20 HG22 VAL 20 3.434 -0.719 -2.491 157 HG23 VAL 20 HG23 VAL 20 3.804 0.802 -1.679 158 H SER 21 HN SER 21 7.386 -1.123 -4.704 159 HA SER 21 HA SER 21 9.790 0.105 -3.881 160 HB2 SER 21 HB2 SER 21 9.545 -2.311 -4.625 161 HB3 SER 21 HB1 SER 21 9.436 -1.737 -6.284 162 HG SER 21 HG SER 21 11.606 -1.089 -4.586 163 H GLU 22 HN GLU 22 7.608 0.785 -6.503 164 HA GLU 22 HA GLU 22 9.582 2.122 -8.109 165 HB2 GLU 22 HB2 GLU 22 6.591 1.860 -8.344 166 HB3 GLU 22 HB1 GLU 22 7.574 2.745 -9.501 167 HG2 GLU 22 HG2 GLU 22 8.780 0.700 -10.054 168 HG3 GLU 22 HG1 GLU 22 7.829 -0.191 -8.866 169 H GLU 23 HN GLU 23 6.876 3.028 -6.032 170 HA GLU 23 HA GLU 23 7.256 5.832 -6.615 171 HB2 GLU 23 HB2 GLU 23 5.389 4.556 -4.602 172 HB3 GLU 23 HB1 GLU 23 5.234 6.160 -5.307 173 HG2 GLU 23 HG2 GLU 23 5.081 3.566 -6.796 174 HG3 GLU 23 HG1 GLU 23 3.692 4.506 -6.263 175 H SER 24 HN SER 24 8.239 3.611 -4.132 176 HA SER 24 HA SER 24 8.897 5.777 -2.276 177 HB2 SER 24 HB2 SER 24 9.280 2.794 -1.989 178 HB3 SER 24 HB1 SER 24 9.492 4.002 -0.716 179 HG SER 24 HG SER 24 7.063 3.654 -2.128 180 H GLY 25 HN GLY 25 10.451 3.598 -4.526 181 HA2 GLY 25 HA2 GLY 25 12.589 3.981 -5.489 182 HA3 GLY 25 HA1 GLY 25 12.925 5.136 -4.204 183 H ILE 26 HN ILE 26 11.679 2.450 -2.765 184 HA ILE 26 HA ILE 26 14.342 1.496 -2.040 185 HB ILE 26 HB ILE 26 11.807 0.444 -0.842 186 HG12 ILE 26 HG12 ILE 26 13.232 2.916 0.181 187 HG13 ILE 26 HG11 ILE 26 11.751 2.969 -0.774 188 HG21 ILE 26 HG21 ILE 26 13.266 0.194 1.146 189 HG22 ILE 26 HG22 ILE 26 14.613 0.792 0.172 190 HG23 ILE 26 HG23 ILE 26 13.807 -0.715 -0.266 191 HD11 ILE 26 HD11 ILE 26 11.235 3.195 1.576 192 HD12 ILE 26 HD12 ILE 26 12.110 1.708 1.943 193 HD13 ILE 26 HD13 ILE 26 10.631 1.644 0.990 194 H ALA 27 HN ALA 27 15.097 -0.067 -3.314 195 HA ALA 27 HA ALA 27 13.835 -1.658 -5.129 196 HB1 ALA 27 HB1 ALA 27 16.271 -1.476 -4.876 197 HB2 ALA 27 HB2 ALA 27 15.747 -3.157 -4.980 198 HB3 ALA 27 HB3 ALA 27 16.183 -2.464 -3.419 199 H LEU 28 HN LEU 28 12.886 -3.648 -5.200 200 HA LEU 28 HA LEU 28 11.138 -4.403 -3.203 201 HB2 LEU 28 HB2 LEU 28 10.886 -5.090 -5.508 202 HB3 LEU 28 HB1 LEU 28 12.363 -6.027 -5.439 203 HG LEU 28 HG LEU 28 11.204 -7.482 -3.708 204 HD11 LEU 28 HD11 LEU 28 9.391 -6.067 -3.056 205 HD12 LEU 28 HD12 LEU 28 8.714 -7.481 -3.867 206 HD13 LEU 28 HD13 LEU 28 8.824 -5.939 -4.721 207 HD21 LEU 28 HD21 LEU 28 10.120 -7.373 -6.514 208 HD22 LEU 28 HD22 LEU 28 10.034 -8.763 -5.430 209 HD23 LEU 28 HD23 LEU 28 11.601 -8.180 -5.996 210 H GLU 29 HN GLU 29 14.467 -5.409 -3.692 211 HA GLU 29 HA GLU 29 14.342 -7.672 -1.929 212 HB2 GLU 29 HB2 GLU 29 16.813 -6.230 -2.888 213 HB3 GLU 29 HB1 GLU 29 16.686 -7.884 -2.304 214 HG2 GLU 29 HG2 GLU 29 15.228 -6.940 -4.739 215 HG3 GLU 29 HG1 GLU 29 16.877 -7.563 -4.813 216 H GLU 30 HN GLU 30 14.440 -4.372 -1.412 217 HA GLU 30 HA GLU 30 15.804 -4.671 1.189 218 HB2 GLU 30 HB2 GLU 30 15.410 -2.141 -0.403 219 HB3 GLU 30 HB1 GLU 30 16.334 -2.326 1.086 220 HG2 GLU 30 HG2 GLU 30 17.109 -3.906 -1.311 221 HG3 GLU 30 HG1 GLU 30 17.521 -2.195 -1.213 222 H LEU 31 HN LEU 31 12.833 -4.353 -0.216 223 HA LEU 31 HA LEU 31 11.665 -2.395 1.490 224 HB2 LEU 31 HB2 LEU 31 10.721 -3.019 -0.728 225 HB3 LEU 31 HB1 LEU 31 10.279 -4.588 -0.074 226 HG LEU 31 HG LEU 31 8.785 -3.472 1.546 227 HD11 LEU 31 HD11 LEU 31 9.946 -1.350 1.724 228 HD12 LEU 31 HD12 LEU 31 8.271 -1.088 1.238 229 HD13 LEU 31 HD13 LEU 31 9.566 -0.976 0.044 230 HD21 LEU 31 HD21 LEU 31 7.075 -2.796 -0.059 231 HD22 LEU 31 HD22 LEU 31 7.904 -4.261 -0.583 232 HD23 LEU 31 HD23 LEU 31 8.299 -2.712 -1.327 233 H THR 32 HN THR 32 11.870 -2.773 3.594 234 HA THR 32 HA THR 32 10.921 -5.357 4.651 235 HB THR 32 HB THR 32 12.424 -4.979 6.582 236 HG1 THR 32 HG1 THR 32 13.676 -2.858 5.208 237 HG21 THR 32 HG21 THR 32 14.621 -5.217 5.420 238 HG22 THR 32 HG22 THR 32 13.835 -4.786 3.902 239 HG23 THR 32 HG23 THR 32 13.377 -6.268 4.744 240 H ASP 33 HN ASP 33 9.853 -5.202 6.779 241 HA ASP 33 HA ASP 33 7.829 -3.206 6.780 242 HB2 ASP 33 HB2 ASP 33 8.593 -5.175 8.934 243 HB3 ASP 33 HB1 ASP 33 7.083 -4.273 8.847 244 H ASP 34 HN ASP 34 10.989 -3.065 7.834 245 HA ASP 34 HA ASP 34 10.700 -1.379 10.118 246 HB2 ASP 34 HB2 ASP 34 12.749 -2.566 9.931 247 HB3 ASP 34 HB1 ASP 34 12.990 -2.037 8.266 248 H SER 35 HN SER 35 10.611 -0.909 6.702 249 HA SER 35 HA SER 35 11.434 1.832 6.672 250 HB2 SER 35 HB2 SER 35 9.766 0.313 4.652 251 HB3 SER 35 HB1 SER 35 10.588 1.849 4.372 252 HG SER 35 HG SER 35 12.425 0.246 5.295 253 H ASN 36 HN ASN 36 10.211 3.688 6.468 254 HA ASN 36 HA ASN 36 7.398 3.459 7.312 255 HB2 ASN 36 HB2 ASN 36 8.972 4.053 9.206 256 HB3 ASN 36 HB1 ASN 36 9.396 5.503 8.318 257 HD21 ASN 36 HD21 ASN 36 6.998 4.014 10.359 258 HD22 ASN 36 HD22 ASN 36 5.967 5.387 10.464 259 H PHE 37 HN PHE 37 6.101 4.570 5.973 260 HA PHE 37 HA PHE 37 7.086 5.618 3.591 261 HB2 PHE 37 HB2 PHE 37 4.411 5.785 4.946 262 HB3 PHE 37 HB1 PHE 37 4.702 6.616 3.417 263 HD1 PHE 37 HD1 PHE 37 5.998 5.050 1.660 264 HD2 PHE 37 HD2 PHE 37 3.432 3.687 4.763 265 HE1 PHE 37 HE1 PHE 37 5.618 2.980 0.420 266 HE2 PHE 37 HE2 PHE 37 3.041 1.592 3.519 267 HZ PHE 37 HZ PHE 37 4.134 1.244 1.344 268 H ALA 38 HN ALA 38 5.814 7.363 6.426 269 HA ALA 38 HA ALA 38 6.261 9.926 5.254 270 HB1 ALA 38 HB1 ALA 38 5.759 10.761 7.521 271 HB2 ALA 38 HB2 ALA 38 5.732 9.090 8.091 272 HB3 ALA 38 HB3 ALA 38 4.551 9.636 6.897 273 H ASP 39 HN ASP 39 8.151 7.772 7.241 274 HA ASP 39 HA ASP 39 10.152 9.658 7.995 275 HB2 ASP 39 HB2 ASP 39 9.725 7.510 9.199 276 HB3 ASP 39 HB1 ASP 39 10.395 6.649 7.817 277 H MET 40 HN MET 40 9.661 7.492 5.337 278 HA MET 40 HA MET 40 12.300 7.792 4.249 279 HB2 MET 40 HB2 MET 40 9.786 6.464 3.350 280 HB3 MET 40 HB1 MET 40 11.050 6.785 2.166 281 HG2 MET 40 HG2 MET 40 11.524 5.333 4.745 282 HG3 MET 40 HG1 MET 40 11.123 4.519 3.230 283 HE1 MET 40 HE1 MET 40 12.738 6.616 1.240 284 HE2 MET 40 HE2 MET 40 12.631 4.872 1.000 285 HE3 MET 40 HE3 MET 40 14.205 5.663 1.002 286 H GLY 41 HN GLY 41 9.327 9.508 4.020 287 HA2 GLY 41 HA2 GLY 41 9.343 11.795 3.222 288 HA3 GLY 41 HA1 GLY 41 10.620 11.346 2.098 289 H ILE 42 HN ILE 42 7.790 9.357 2.559 290 HA ILE 42 HA ILE 42 7.086 9.516 -0.199 291 HB ILE 42 HB ILE 42 5.642 8.296 2.169 292 HG12 ILE 42 HG12 ILE 42 7.817 7.324 1.455 293 HG13 ILE 42 HG11 ILE 42 6.462 6.207 1.285 294 HG21 ILE 42 HG21 ILE 42 4.939 8.113 -0.761 295 HG22 ILE 42 HG22 ILE 42 3.975 8.887 0.499 296 HG23 ILE 42 HG23 ILE 42 4.220 7.141 0.521 297 HD11 ILE 42 HD11 ILE 42 7.702 7.811 -0.946 298 HD12 ILE 42 HD12 ILE 42 6.385 6.647 -1.107 299 HD13 ILE 42 HD13 ILE 42 7.991 6.099 -0.626 300 H ASP 43 HN ASP 43 6.250 11.250 -1.036 301 HA ASP 43 HA ASP 43 4.935 13.246 0.588 302 HB2 ASP 43 HB2 ASP 43 6.578 13.904 -1.098 303 HB3 ASP 43 HB1 ASP 43 5.613 13.157 -2.362 304 H SER 44 HN SER 44 2.936 14.287 -0.201 305 HA SER 44 HA SER 44 0.731 12.640 -0.264 306 HB2 SER 44 HB2 SER 44 0.512 14.930 0.339 307 HB3 SER 44 HB1 SER 44 1.120 15.477 -1.220 308 H LEU 45 HN LEU 45 2.577 13.984 -2.957 309 HA LEU 45 HA LEU 45 0.853 13.330 -5.057 310 HB2 LEU 45 HB2 LEU 45 2.980 14.740 -5.128 311 HB3 LEU 45 HB1 LEU 45 3.880 13.242 -5.175 312 HG LEU 45 HG LEU 45 3.548 14.427 -7.380 313 HD11 LEU 45 HD11 LEU 45 2.562 11.586 -7.159 314 HD12 LEU 45 HD12 LEU 45 4.242 12.106 -7.296 315 HD13 LEU 45 HD13 LEU 45 3.128 12.367 -8.638 316 HD21 LEU 45 HD21 LEU 45 0.731 13.406 -7.048 317 HD22 LEU 45 HD22 LEU 45 1.412 14.106 -8.517 318 HD23 LEU 45 HD23 LEU 45 1.232 15.096 -7.071 319 H SER 46 HN SER 46 3.670 11.438 -3.912 320 HA SER 46 HA SER 46 3.132 9.256 -5.619 321 HB2 SER 46 HB2 SER 46 4.793 8.059 -4.094 322 HB3 SER 46 HB1 SER 46 5.370 9.518 -4.903 323 HG SER 46 HG SER 46 5.356 9.010 -2.326 324 H SER 47 HN SER 47 2.156 10.003 -2.345 325 HA SER 47 HA SER 47 1.291 7.450 -1.561 326 HB2 SER 47 HB2 SER 47 0.216 10.160 -0.750 327 HB3 SER 47 HB1 SER 47 -0.066 8.650 0.114 328 HG SER 47 HG SER 47 2.348 10.093 -0.205 329 H MET 48 HN MET 48 -0.313 9.956 -3.467 330 HA MET 48 HA MET 48 -2.814 8.503 -3.413 331 HB2 MET 48 HB2 MET 48 -2.610 11.049 -3.486 332 HB3 MET 48 HB1 MET 48 -2.221 10.896 -5.182 333 HG2 MET 48 HG2 MET 48 -4.345 9.760 -5.589 334 HG3 MET 48 HG1 MET 48 -4.758 9.920 -3.882 335 HE1 MET 48 HE1 MET 48 -6.681 10.863 -6.203 336 HE2 MET 48 HE2 MET 48 -7.202 12.436 -5.601 337 HE3 MET 48 HE3 MET 48 -7.060 11.075 -4.491 338 H VAL 49 HN VAL 49 0.047 8.422 -5.233 339 HA VAL 49 HA VAL 49 -1.281 7.546 -7.659 340 HB VAL 49 HB VAL 49 1.618 8.024 -6.945 341 HG11 VAL 49 HG11 VAL 49 0.500 7.227 -9.646 342 HG12 VAL 49 HG12 VAL 49 1.413 6.164 -8.579 343 HG13 VAL 49 HG13 VAL 49 2.185 7.588 -9.273 344 HG21 VAL 49 HG21 VAL 49 -0.224 9.471 -8.855 345 HG22 VAL 49 HG22 VAL 49 1.453 9.890 -8.496 346 HG23 VAL 49 HG23 VAL 49 0.220 10.019 -7.239 347 H ILE 50 HN ILE 50 0.839 6.274 -5.091 348 HA ILE 50 HA ILE 50 1.082 3.657 -5.908 349 HB ILE 50 HB ILE 50 0.619 4.699 -3.104 350 HG12 ILE 50 HG12 ILE 50 3.149 4.041 -4.626 351 HG13 ILE 50 HG11 ILE 50 2.596 5.647 -4.159 352 HG21 ILE 50 HG21 ILE 50 1.728 2.030 -3.956 353 HG22 ILE 50 HG22 ILE 50 0.127 2.307 -3.268 354 HG23 ILE 50 HG23 ILE 50 1.568 2.624 -2.302 355 HD11 ILE 50 HD11 ILE 50 2.865 5.037 -1.804 356 HD12 ILE 50 HD12 ILE 50 4.371 4.888 -2.709 357 HD13 ILE 50 HD13 ILE 50 3.446 3.445 -2.293 358 H GLY 51 HN GLY 51 -1.545 5.039 -3.919 359 HA2 GLY 51 HA2 GLY 51 -3.162 2.736 -3.868 360 HA3 GLY 51 HA1 GLY 51 -3.725 4.381 -3.607 361 H SER 52 HN SER 52 -2.694 5.152 -6.319 362 HA SER 52 HA SER 52 -5.059 4.583 -7.769 363 HB2 SER 52 HB2 SER 52 -2.626 6.212 -8.113 364 HB3 SER 52 HB1 SER 52 -3.514 5.839 -9.572 365 HG SER 52 HG SER 52 -4.166 7.464 -7.417 366 H ARG 53 HN ARG 53 -1.636 3.690 -8.100 367 HA ARG 53 HA ARG 53 -1.914 2.162 -10.449 368 HB2 ARG 53 HB2 ARG 53 0.132 1.780 -8.265 369 HB3 ARG 53 HB1 ARG 53 0.265 1.262 -9.939 370 HG2 ARG 53 HG2 ARG 53 0.009 3.726 -10.536 371 HG3 ARG 53 HG1 ARG 53 0.342 4.042 -8.834 372 HD2 ARG 53 HD2 ARG 53 2.497 4.052 -9.484 373 HD3 ARG 53 HD1 ARG 53 2.314 2.297 -9.440 374 HE ARG 53 HE ARG 53 1.528 3.263 -11.977 375 HH11 ARG 53 HH11 ARG 53 4.413 2.931 -10.018 376 HH12 ARG 53 HH12 ARG 53 5.438 2.492 -11.355 377 HH21 ARG 53 HH21 ARG 53 2.875 2.801 -13.753 378 HH22 ARG 53 HH22 ARG 53 4.565 2.495 -13.505 379 H PHE 54 HN PHE 54 -2.520 1.432 -7.087 380 HA PHE 54 HA PHE 54 -2.761 -1.361 -7.176 381 HB2 PHE 54 HB2 PHE 54 -4.316 0.750 -5.658 382 HB3 PHE 54 HB1 PHE 54 -4.624 -0.966 -5.457 383 HD1 PHE 54 HD1 PHE 54 -1.291 -1.052 -5.981 384 HD2 PHE 54 HD2 PHE 54 -4.063 0.439 -3.119 385 HE1 PHE 54 HE1 PHE 54 0.462 -1.127 -4.254 386 HE2 PHE 54 HE2 PHE 54 -2.312 0.367 -1.390 387 HZ PHE 54 HZ PHE 54 -0.052 -0.426 -1.955 388 H ARG 55 HN ARG 55 -4.984 1.194 -8.170 389 HA ARG 55 HA ARG 55 -7.085 -0.653 -8.852 390 HB2 ARG 55 HB2 ARG 55 -6.853 2.279 -9.558 391 HB3 ARG 55 HB1 ARG 55 -8.311 1.302 -9.553 392 HG2 ARG 55 HG2 ARG 55 -8.192 1.078 -7.147 393 HG3 ARG 55 HG1 ARG 55 -6.678 1.980 -7.112 394 HD2 ARG 55 HD2 ARG 55 -9.249 3.109 -8.206 395 HD3 ARG 55 HD1 ARG 55 -8.757 3.294 -6.524 396 HE ARG 55 HE ARG 55 -6.615 4.220 -7.871 397 HH11 ARG 55 HH11 ARG 55 -10.046 4.965 -8.160 398 HH12 ARG 55 HH12 ARG 55 -9.763 6.617 -8.605 399 HH21 ARG 55 HH21 ARG 55 -6.273 6.422 -8.443 400 HH22 ARG 55 HH22 ARG 55 -7.649 7.442 -8.760 401 H GLU 56 HN GLU 56 -4.446 0.932 -10.478 402 HA GLU 56 HA GLU 56 -5.513 0.575 -13.121 403 HB2 GLU 56 HB2 GLU 56 -2.728 1.308 -12.211 404 HB3 GLU 56 HB1 GLU 56 -3.296 1.375 -13.871 405 HG2 GLU 56 HG2 GLU 56 -4.882 3.104 -13.294 406 HG3 GLU 56 HG1 GLU 56 -4.413 3.001 -11.596 407 H ASP 57 HN ASP 57 -2.682 -0.771 -11.444 408 HA ASP 57 HA ASP 57 -2.238 -2.571 -13.684 409 HB2 ASP 57 HB2 ASP 57 -0.425 -1.211 -12.512 410 HB3 ASP 57 HB1 ASP 57 -0.573 -2.348 -11.181 411 H LEU 58 HN LEU 58 -3.184 -2.737 -10.308 412 HA LEU 58 HA LEU 58 -3.086 -5.663 -10.398 413 HB2 LEU 58 HB2 LEU 58 -3.156 -3.649 -8.181 414 HB3 LEU 58 HB1 LEU 58 -3.727 -5.279 -7.873 415 HG LEU 58 HG LEU 58 -1.528 -6.172 -8.518 416 HD11 LEU 58 HD11 LEU 58 0.354 -4.748 -8.924 417 HD12 LEU 58 HD12 LEU 58 -0.626 -3.303 -8.678 418 HD13 LEU 58 HD13 LEU 58 -0.913 -4.336 -10.079 419 HD21 LEU 58 HD21 LEU 58 -1.974 -5.679 -6.184 420 HD22 LEU 58 HD22 LEU 58 -1.429 -4.017 -6.416 421 HD23 LEU 58 HD23 LEU 58 -0.282 -5.350 -6.571 422 H GLY 59 HN GLY 59 -5.356 -3.004 -10.052 423 HA2 GLY 59 HA2 GLY 59 -7.634 -3.056 -10.571 424 HA3 GLY 59 HA1 GLY 59 -7.534 -4.808 -10.703 425 H LEU 60 HN LEU 60 -6.512 -2.842 -7.952 426 HA LEU 60 HA LEU 60 -8.082 -4.478 -6.177 427 HB2 LEU 60 HB2 LEU 60 -6.303 -2.094 -5.685 428 HB3 LEU 60 HB1 LEU 60 -7.125 -2.967 -4.409 429 HG LEU 60 HG LEU 60 -5.040 -4.126 -6.260 430 HD11 LEU 60 HD11 LEU 60 -4.050 -2.579 -4.705 431 HD12 LEU 60 HD12 LEU 60 -3.671 -4.229 -4.202 432 HD13 LEU 60 HD13 LEU 60 -4.924 -3.315 -3.362 433 HD21 LEU 60 HD21 LEU 60 -6.724 -5.765 -5.557 434 HD22 LEU 60 HD22 LEU 60 -6.419 -5.342 -3.872 435 HD23 LEU 60 HD23 LEU 60 -5.145 -6.083 -4.839 436 H ASP 61 HN ASP 61 -10.113 -4.043 -5.497 437 HA ASP 61 HA ASP 61 -11.415 -1.593 -6.229 438 HB2 ASP 61 HB2 ASP 61 -12.332 -3.999 -4.640 439 HB3 ASP 61 HB1 ASP 61 -13.350 -2.585 -4.900 440 H LEU 62 HN LEU 62 -9.902 -0.212 -5.026 441 HA LEU 62 HA LEU 62 -10.359 -0.147 -2.142 442 HB2 LEU 62 HB2 LEU 62 -8.517 1.533 -3.841 443 HB3 LEU 62 HB1 LEU 62 -8.574 1.522 -2.091 444 HG LEU 62 HG LEU 62 -7.770 -0.820 -3.813 445 HD11 LEU 62 HD11 LEU 62 -5.505 -0.313 -3.040 446 HD12 LEU 62 HD12 LEU 62 -6.107 1.139 -2.240 447 HD13 LEU 62 HD13 LEU 62 -6.182 1.001 -3.998 448 HD21 LEU 62 HD21 LEU 62 -8.638 -1.588 -1.716 449 HD22 LEU 62 HD22 LEU 62 -7.722 -0.367 -0.834 450 HD23 LEU 62 HD23 LEU 62 -6.876 -1.682 -1.649 451 H GLY 63 HN GLY 63 -9.928 2.503 -4.441 452 HA2 GLY 63 HA2 GLY 63 -12.209 3.739 -4.803 453 HA3 GLY 63 HA1 GLY 63 -12.014 3.988 -3.073 454 HA PRO 64 HA PRO 64 -9.507 7.167 -5.460 455 HB2 PRO 64 HB2 PRO 64 -11.142 9.298 -5.483 456 HB3 PRO 64 HB1 PRO 64 -11.237 8.027 -6.717 457 HG2 PRO 64 HG2 PRO 64 -12.961 8.484 -4.324 458 HG3 PRO 64 HG1 PRO 64 -13.423 7.962 -5.952 459 HD2 PRO 64 HD2 PRO 64 -13.099 6.286 -3.769 460 HD3 PRO 64 HD1 PRO 64 -13.029 5.769 -5.464 461 H GLU 65 HN GLU 65 -11.103 6.937 -2.495 462 HA GLU 65 HA GLU 65 -10.062 9.394 -1.391 463 HB2 GLU 65 HB2 GLU 65 -11.826 7.226 -0.275 464 HB3 GLU 65 HB1 GLU 65 -11.324 8.645 0.630 465 HG2 GLU 65 HG2 GLU 65 -12.729 8.831 -1.995 466 HG3 GLU 65 HG1 GLU 65 -13.601 8.734 -0.464 467 H PHE 66 HN PHE 66 -8.604 6.621 -2.029 468 HA PHE 66 HA PHE 66 -7.495 6.081 0.615 469 HB2 PHE 66 HB2 PHE 66 -8.239 4.199 -0.817 470 HB3 PHE 66 HB1 PHE 66 -7.036 4.652 -2.016 471 HD1 PHE 66 HD2 PHE 66 -7.527 3.319 1.370 472 HD2 PHE 66 HD1 PHE 66 -4.766 4.022 -1.786 473 HE1 PHE 66 HE2 PHE 66 -5.881 1.895 2.502 474 HE2 PHE 66 HE1 PHE 66 -3.111 2.597 -0.661 475 HZ PHE 66 HZ PHE 66 -3.675 1.466 1.434 476 H SER 67 HN SER 67 -5.714 7.078 1.271 477 HA SER 67 HA SER 67 -3.539 7.502 -0.648 478 HB2 SER 67 HB2 SER 67 -4.500 9.627 1.290 479 HB3 SER 67 HB1 SER 67 -3.103 9.756 0.225 480 HG SER 67 HG SER 67 -5.355 9.055 -1.125 481 H LEU 68 HN LEU 68 -1.749 6.607 0.114 482 HA LEU 68 HA LEU 68 -1.580 5.348 2.599 483 HB2 LEU 68 HB2 LEU 68 0.619 6.199 0.732 484 HB3 LEU 68 HB1 LEU 68 0.861 5.155 2.116 485 HG LEU 68 HG LEU 68 -0.739 4.555 -0.366 486 HD11 LEU 68 HD11 LEU 68 1.815 3.506 0.814 487 HD12 LEU 68 HD12 LEU 68 1.570 4.272 -0.761 488 HD13 LEU 68 HD13 LEU 68 0.917 2.659 -0.446 489 HD21 LEU 68 HD21 LEU 68 -0.447 2.959 2.172 490 HD22 LEU 68 HD22 LEU 68 -1.100 2.330 0.660 491 HD23 LEU 68 HD23 LEU 68 -1.935 3.633 1.508 492 H PHE 69 HN PHE 69 -0.722 8.579 1.660 493 HA PHE 69 HA PHE 69 1.183 9.248 3.568 494 HB2 PHE 69 HB2 PHE 69 0.393 10.547 1.515 495 HB3 PHE 69 HB1 PHE 69 -0.924 11.151 2.512 496 HD1 PHE 69 HD1 PHE 69 2.280 10.632 4.154 497 HD2 PHE 69 HD2 PHE 69 -0.115 13.396 1.978 498 HE1 PHE 69 HE1 PHE 69 3.726 12.469 4.912 499 HE2 PHE 69 HE2 PHE 69 1.319 15.245 2.744 500 HZ PHE 69 HZ PHE 69 3.246 14.782 4.214 501 H ILE 70 HN ILE 70 -2.150 8.592 4.025 502 HA ILE 70 HA ILE 70 -1.961 9.645 6.778 503 HB ILE 70 HB ILE 70 -4.443 9.658 5.022 504 HG12 ILE 70 HG12 ILE 70 -2.832 11.918 6.231 505 HG13 ILE 70 HG11 ILE 70 -2.861 11.477 4.529 506 HG21 ILE 70 HG21 ILE 70 -5.599 10.680 6.905 507 HG22 ILE 70 HG22 ILE 70 -4.154 10.511 7.901 508 HG23 ILE 70 HG23 ILE 70 -5.000 9.075 7.328 509 HD11 ILE 70 HD11 ILE 70 -5.224 12.047 4.408 510 HD12 ILE 70 HD12 ILE 70 -4.262 13.418 4.959 511 HD13 ILE 70 HD13 ILE 70 -5.213 12.484 6.115 512 H ASP 71 HN ASP 71 -3.113 7.130 4.608 513 HA ASP 71 HA ASP 71 -4.451 5.706 6.747 514 HB2 ASP 71 HB2 ASP 71 -4.327 5.464 3.788 515 HB3 ASP 71 HB1 ASP 71 -4.756 4.032 4.717 516 H CYS 72 HN CYS 72 -1.281 5.733 5.611 517 HA CYS 72 HA CYS 72 -0.727 3.180 6.856 518 HB2 CYS 72 HB2 CYS 72 -0.118 3.636 3.926 519 HB3 CYS 72 HB1 CYS 72 0.536 2.311 4.884 520 HG CYS 72 HG CYS 72 -2.672 2.215 5.295 521 H THR 73 HN THR 73 1.026 3.420 8.035 522 HA THR 73 HA THR 73 2.723 5.758 7.501 523 HB THR 73 HB THR 73 3.397 5.461 9.898 524 HG1 THR 73 HG1 THR 73 2.202 3.997 11.156 525 HG21 THR 73 HG21 THR 73 0.491 5.863 9.169 526 HG22 THR 73 HG22 THR 73 1.732 7.094 9.423 527 HG23 THR 73 HG23 THR 73 1.122 6.165 10.792 528 H THR 74 HN THR 74 3.069 2.360 8.629 529 HA THR 74 HA THR 74 5.795 2.383 7.549 530 HB THR 74 HB THR 74 6.089 0.202 8.639 531 HG1 THR 74 HG1 THR 74 3.943 0.094 10.214 532 HG21 THR 74 HG21 THR 74 6.569 2.233 9.931 533 HG22 THR 74 HG22 THR 74 5.968 0.944 10.971 534 HG23 THR 74 HG23 THR 74 4.901 2.268 10.500 535 H VAL 75 HN VAL 75 6.243 -0.122 6.703 536 HA VAL 75 HA VAL 75 4.761 -0.204 4.234 537 HB VAL 75 HB VAL 75 6.531 -2.467 4.966 538 HG11 VAL 75 HG11 VAL 75 5.488 -2.348 2.780 539 HG12 VAL 75 HG12 VAL 75 7.245 -2.229 2.648 540 HG13 VAL 75 HG13 VAL 75 6.249 -0.783 2.491 541 HG21 VAL 75 HG21 VAL 75 7.777 -0.657 5.913 542 HG22 VAL 75 HG22 VAL 75 7.564 0.310 4.450 543 HG23 VAL 75 HG23 VAL 75 8.541 -1.158 4.405 544 H ARG 76 HN ARG 76 5.189 -2.295 7.048 545 HA ARG 76 HA ARG 76 3.493 -4.359 6.228 546 HB2 ARG 76 HB2 ARG 76 5.075 -4.660 8.035 547 HB3 ARG 76 HB1 ARG 76 4.228 -3.472 9.016 548 HG2 ARG 76 HG2 ARG 76 3.591 -5.606 9.814 549 HG3 ARG 76 HG1 ARG 76 2.241 -4.943 8.906 550 HD2 ARG 76 HD2 ARG 76 2.535 -7.307 8.422 551 HD3 ARG 76 HD1 ARG 76 2.796 -6.315 6.987 552 HE ARG 76 HE ARG 76 5.265 -6.571 7.602 553 HH11 ARG 76 HH11 ARG 76 2.829 -9.048 8.172 554 HH12 ARG 76 HH12 ARG 76 3.982 -10.350 8.132 555 HH21 ARG 76 HH21 ARG 76 6.763 -8.287 7.558 556 HH22 ARG 76 HH22 ARG 76 6.196 -9.923 7.781 557 H ALA 77 HN ALA 77 2.809 -1.237 7.625 558 HA ALA 77 HA ALA 77 0.181 -1.649 8.484 559 HB1 ALA 77 HB1 ALA 77 1.407 0.415 8.946 560 HB2 ALA 77 HB2 ALA 77 -0.138 0.758 8.170 561 HB3 ALA 77 HB3 ALA 77 1.354 0.839 7.235 562 H LEU 78 HN LEU 78 1.511 -1.131 5.269 563 HA LEU 78 HA LEU 78 -1.009 -0.914 3.927 564 HB2 LEU 78 HB2 LEU 78 1.592 -0.472 3.242 565 HB3 LEU 78 HB1 LEU 78 1.303 -1.995 2.440 566 HG LEU 78 HG LEU 78 -0.443 0.423 2.035 567 HD11 LEU 78 HD11 LEU 78 2.035 -0.435 0.553 568 HD12 LEU 78 HD12 LEU 78 1.768 1.079 1.413 569 HD13 LEU 78 HD13 LEU 78 0.871 0.736 -0.065 570 HD21 LEU 78 HD21 LEU 78 -1.452 -1.669 1.332 571 HD22 LEU 78 HD22 LEU 78 -0.014 -2.073 0.393 572 HD23 LEU 78 HD23 LEU 78 -1.010 -0.692 -0.072 573 H LYS 79 HN LYS 79 1.376 -3.467 4.381 574 HA LYS 79 HA LYS 79 0.196 -5.601 3.110 575 HB2 LYS 79 HB2 LYS 79 1.446 -5.974 5.821 576 HB3 LYS 79 HB1 LYS 79 1.498 -7.049 4.423 577 HG2 LYS 79 HG2 LYS 79 2.796 -4.376 4.171 578 HG3 LYS 79 HG1 LYS 79 3.606 -5.560 5.194 579 HD2 LYS 79 HD2 LYS 79 3.441 -7.148 3.228 580 HD3 LYS 79 HD1 LYS 79 2.917 -5.765 2.265 581 HE2 LYS 79 HE2 LYS 79 5.282 -6.037 1.959 582 HE3 LYS 79 HE1 LYS 79 5.003 -4.585 2.926 583 HZ1 LYS 79 HZ1 LYS 79 5.716 -7.237 4.083 584 HZ2 LYS 79 HZ2 LYS 79 5.640 -5.755 4.908 585 HZ3 LYS 79 HZ3 LYS 79 6.846 -6.020 3.747 586 H ASP 80 HN ASP 80 -0.157 -4.713 6.495 587 HA ASP 80 HA ASP 80 -2.011 -6.642 7.265 588 HB2 ASP 80 HB2 ASP 80 -0.702 -5.307 8.847 589 HB3 ASP 80 HB1 ASP 80 -1.574 -3.855 8.367 590 H PHE 81 HN PHE 81 -2.491 -3.541 5.743 591 HA PHE 81 HA PHE 81 -5.302 -3.441 6.163 592 HB2 PHE 81 HB2 PHE 81 -3.877 -1.442 5.695 593 HB3 PHE 81 HB1 PHE 81 -3.672 -2.022 4.046 594 HD1 PHE 81 HD1 PHE 81 -6.142 -0.760 6.487 595 HD2 PHE 81 HD2 PHE 81 -5.316 -1.659 2.408 596 HE1 PHE 81 HE1 PHE 81 -8.199 0.409 5.817 597 HE2 PHE 81 HE2 PHE 81 -7.369 -0.489 1.731 598 HZ PHE 81 HZ PHE 81 -8.807 0.567 3.452 599 H MET 82 HN MET 82 -3.220 -4.734 3.681 600 HA MET 82 HA MET 82 -5.254 -5.092 1.705 601 HB2 MET 82 HB2 MET 82 -2.600 -6.493 1.892 602 HB3 MET 82 HB1 MET 82 -3.598 -6.305 0.458 603 HG2 MET 82 HG2 MET 82 -3.259 -3.893 0.517 604 HG3 MET 82 HG1 MET 82 -2.265 -4.074 1.967 605 HE1 MET 82 HE1 MET 82 -1.105 -4.847 -2.353 606 HE2 MET 82 HE2 MET 82 -2.069 -3.511 -1.719 607 HE3 MET 82 HE3 MET 82 -2.727 -5.152 -1.715 608 H LEU 83 HN LEU 83 -3.522 -7.395 3.813 609 HA LEU 83 HA LEU 83 -5.139 -9.591 3.005 610 HB2 LEU 83 HB2 LEU 83 -3.260 -9.237 5.343 611 HB3 LEU 83 HB1 LEU 83 -4.106 -10.735 5.027 612 HG LEU 83 HG LEU 83 -2.950 -10.781 2.768 613 HD11 LEU 83 HD11 LEU 83 -1.260 -8.632 4.018 614 HD12 LEU 83 HD12 LEU 83 -2.325 -8.445 2.625 615 HD13 LEU 83 HD13 LEU 83 -0.909 -9.492 2.517 616 HD21 LEU 83 HD21 LEU 83 -0.864 -11.666 3.655 617 HD22 LEU 83 HD22 LEU 83 -2.226 -12.186 4.650 618 HD23 LEU 83 HD23 LEU 83 -1.171 -10.882 5.206 619 H GLY 84 HN GLY 84 -5.293 -7.291 5.653 620 HA2 GLY 84 HA2 GLY 84 -7.702 -6.868 6.262 621 HA3 GLY 84 HA1 GLY 84 -7.795 -8.605 6.507 622 H SER 85 HN SER 85 -7.542 -5.756 8.049 623 HA SER 85 HA SER 85 -5.645 -6.481 10.103 624 HB2 SER 85 HB2 SER 85 -6.239 -4.107 9.149 625 HB3 SER 85 HB1 SER 85 -7.566 -4.177 10.309 626 HG SER 85 HG SER 85 -4.771 -4.262 10.795 627 H GLY 86 HN GLY 86 -7.747 -8.338 9.842 628 HA2 GLY 86 HA2 GLY 86 -9.504 -7.756 12.144 629 HA3 GLY 86 HA1 GLY 86 -9.930 -8.817 10.810 630 H ASP 87 HN ASP 87 -6.715 -9.129 11.857 631 HA ASP 87 HA ASP 87 -7.318 -11.726 13.013 632 HB2 ASP 87 HB2 ASP 87 -5.455 -11.513 11.398 633 HB3 ASP 87 HB1 ASP 87 -4.635 -10.415 12.502 634 H ALA 88 HN ALA 88 -7.416 -12.105 15.123 635 HA ALA 88 HA ALA 88 -6.974 -9.849 16.906 636 HB1 ALA 88 HB1 ALA 88 -9.115 -11.055 16.976 637 HB2 ALA 88 HB2 ALA 88 -8.276 -11.086 18.526 638 HB3 ALA 88 HB3 ALA 88 -8.265 -12.512 17.489 639 H GLY 89 HN GLY 89 -6.537 -13.308 17.594 640 HA2 GLY 89 HA2 GLY 89 -3.871 -13.554 17.956 641 HA3 GLY 89 HA1 GLY 89 -4.366 -12.645 19.378 642 H282 PNS 90 H28A PNS 44 -0.850 15.486 -4.215 643 H281 PNS 90 H28B PNS 44 -1.842 14.080 -3.823 644 H303 PNS 90 H30A PNS 44 -1.446 17.019 -5.855 645 H302 PNS 90 H30B PNS 44 -2.847 17.492 -4.893 646 H301 PNS 90 H30C PNS 44 -3.049 17.052 -6.589 647 H313 PNS 90 H31A PNS 44 -1.214 14.684 -6.644 648 H312 PNS 90 H31B PNS 44 -2.857 14.624 -7.277 649 H311 PNS 90 H31C PNS 44 -2.335 13.442 -6.078 650 H32 PNS 90 H32A PNS 44 -4.369 14.071 -4.866 651 H33 PNS 90 H33A PNS 44 -3.861 15.921 -3.225 652 H36 PNS 90 H36A PNS 44 -6.226 16.587 -4.823 653 H372 PNS 90 H37A PNS 44 -6.594 17.671 -7.350 654 H371 PNS 90 H37B PNS 44 -7.509 16.168 -7.305 655 H382 PNS 90 H38A PNS 44 -8.985 17.952 -6.714 656 H381 PNS 90 H38B PNS 44 -8.669 17.005 -5.261 657 H41 PNS 90 H41A PNS 44 -9.549 18.971 -4.300 658 H422 PNS 90 H42A PNS 44 -7.462 20.627 -3.223 659 H421 PNS 90 H42B PNS 44 -8.591 21.507 -4.255 660 H431 PNS 90 H43A PNS 44 -10.453 20.739 -2.866 661 H432 PNS 90 H43B PNS 44 -9.274 21.665 -1.937 662 H44 PNS 90 H1 PNS 44 -10.272 19.565 -0.352 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 -19.461 0.602 8.312 2 H2 ALA 1 HT2 ALA 1 -20.201 -0.923 8.417 3 H3 ALA 1 HT3 ALA 1 -20.587 0.287 9.538 4 HA ALA 1 HA ALA 1 -22.281 -0.103 7.777 5 HB1 ALA 1 HB1 ALA 1 -21.065 2.651 7.964 6 HB2 ALA 1 HB2 ALA 1 -22.254 1.959 9.068 7 HB3 ALA 1 HB3 ALA 1 -22.691 2.282 7.393 8 H MET 2 HN MET 2 -19.802 2.120 6.517 9 HA MET 2 HA MET 2 -20.144 0.880 3.878 10 HB2 MET 2 HB2 MET 2 -18.940 3.549 4.627 11 HB3 MET 2 HB1 MET 2 -19.093 2.930 2.989 12 HG2 MET 2 HG2 MET 2 -21.357 3.591 4.861 13 HG3 MET 2 HG1 MET 2 -20.832 4.550 3.479 14 HE1 MET 2 HE1 MET 2 -24.315 3.114 2.345 15 HE2 MET 2 HE2 MET 2 -23.367 4.574 2.630 16 HE3 MET 2 HE3 MET 2 -23.863 3.566 3.991 17 H ALA 3 HN ALA 3 -18.788 -0.931 4.379 18 HA ALA 3 HA ALA 3 -16.016 -0.563 3.903 19 HB1 ALA 3 HB1 ALA 3 -16.024 0.159 6.241 20 HB2 ALA 3 HB2 ALA 3 -15.158 -1.366 6.059 21 HB3 ALA 3 HB3 ALA 3 -16.795 -1.354 6.715 22 H LYS 4 HN LYS 4 -15.097 -2.460 3.258 23 HA LYS 4 HA LYS 4 -16.297 -4.995 4.002 24 HB2 LYS 4 HB2 LYS 4 -17.512 -4.327 1.959 25 HB3 LYS 4 HB1 LYS 4 -15.978 -4.168 1.113 26 HG2 LYS 4 HG2 LYS 4 -15.577 -6.603 1.577 27 HG3 LYS 4 HG1 LYS 4 -17.240 -6.686 2.169 28 HD2 LYS 4 HD2 LYS 4 -18.100 -6.049 0.029 29 HD3 LYS 4 HD1 LYS 4 -16.473 -5.716 -0.578 30 HE2 LYS 4 HE2 LYS 4 -15.930 -8.117 -0.205 31 HE3 LYS 4 HE1 LYS 4 -17.625 -8.387 0.200 32 HZ1 LYS 4 HZ1 LYS 4 -18.295 -7.852 -1.964 33 HZ2 LYS 4 HZ2 LYS 4 -16.943 -8.863 -2.162 34 HZ3 LYS 4 HZ3 LYS 4 -16.788 -7.186 -2.373 35 H GLY 5 HN GLY 5 -14.731 -6.451 4.376 36 HA2 GLY 5 HA2 GLY 5 -11.988 -5.738 3.947 37 HA3 GLY 5 HA1 GLY 5 -12.582 -7.244 4.632 38 H VAL 6 HN VAL 6 -10.736 -6.157 2.268 39 HA VAL 6 HA VAL 6 -11.774 -7.638 0.027 40 HB VAL 6 HB VAL 6 -9.025 -6.456 0.366 41 HG11 VAL 6 HG11 VAL 6 -10.552 -7.318 -2.085 42 HG12 VAL 6 HG12 VAL 6 -9.085 -8.053 -1.436 43 HG13 VAL 6 HG13 VAL 6 -9.031 -6.424 -2.112 44 HG21 VAL 6 HG21 VAL 6 -10.732 -4.740 0.657 45 HG22 VAL 6 HG22 VAL 6 -11.486 -5.227 -0.862 46 HG23 VAL 6 HG23 VAL 6 -9.871 -4.520 -0.866 47 H GLY 7 HN GLY 7 -8.548 -7.890 1.522 48 HA2 GLY 7 HA2 GLY 7 -7.510 -9.822 2.365 49 HA3 GLY 7 HA1 GLY 7 -8.892 -10.771 1.826 50 H VAL 8 HN VAL 8 -5.704 -9.979 1.194 51 HA VAL 8 HA VAL 8 -5.989 -10.620 -1.656 52 HB VAL 8 HB VAL 8 -3.988 -9.436 -2.139 53 HG11 VAL 8 HG11 VAL 8 -5.557 -7.842 -0.126 54 HG12 VAL 8 HG12 VAL 8 -5.893 -7.981 -1.849 55 HG13 VAL 8 HG13 VAL 8 -4.425 -7.175 -1.299 56 HG21 VAL 8 HG21 VAL 8 -2.622 -10.206 -0.296 57 HG22 VAL 8 HG22 VAL 8 -3.535 -9.198 0.830 58 HG23 VAL 8 HG23 VAL 8 -2.547 -8.449 -0.423 59 H SER 9 HN SER 9 -4.401 -11.991 -2.630 60 HA SER 9 HA SER 9 -3.450 -14.107 -0.904 61 HB2 SER 9 HB2 SER 9 -4.483 -14.706 -3.040 62 HB3 SER 9 HB1 SER 9 -3.326 -13.704 -3.910 63 HG SER 9 HG SER 9 -2.885 -16.150 -2.540 64 H ASN 10 HN ASN 10 -1.139 -14.924 -1.518 65 HA ASN 10 HA ASN 10 0.789 -12.977 -0.800 66 HB2 ASN 10 HB2 ASN 10 0.905 -15.543 -0.568 67 HB3 ASN 10 HB1 ASN 10 1.373 -15.565 -2.259 68 HD21 ASN 10 HD21 ASN 10 3.054 -13.242 -2.217 69 HD22 ASN 10 HD22 ASN 10 4.464 -13.669 -1.307 70 H GLU 11 HN GLU 11 -0.635 -13.941 -3.739 71 HA GLU 11 HA GLU 11 1.196 -12.981 -5.632 72 HB2 GLU 11 HB2 GLU 11 -0.569 -14.334 -6.442 73 HB3 GLU 11 HB1 GLU 11 -1.789 -13.400 -5.584 74 HG2 GLU 11 HG2 GLU 11 -0.938 -11.493 -7.200 75 HG3 GLU 11 HG1 GLU 11 -0.479 -12.880 -8.191 76 H LYS 12 HN LYS 12 -1.652 -11.395 -4.189 77 HA LYS 12 HA LYS 12 -1.072 -8.875 -5.396 78 HB2 LYS 12 HB2 LYS 12 -2.906 -9.635 -3.123 79 HB3 LYS 12 HB1 LYS 12 -2.795 -8.008 -3.789 80 HG2 LYS 12 HG2 LYS 12 -3.518 -10.419 -5.470 81 HG3 LYS 12 HG1 LYS 12 -4.719 -9.374 -4.696 82 HD2 LYS 12 HD2 LYS 12 -3.707 -7.446 -5.940 83 HD3 LYS 12 HD1 LYS 12 -2.684 -8.605 -6.792 84 HE2 LYS 12 HE2 LYS 12 -5.664 -8.948 -6.774 85 HE3 LYS 12 HE1 LYS 12 -4.907 -7.808 -7.885 86 HZ1 LYS 12 HZ1 LYS 12 -5.268 -10.071 -8.811 87 HZ2 LYS 12 HZ2 LYS 12 -4.133 -10.675 -7.702 88 HZ3 LYS 12 HZ3 LYS 12 -3.657 -9.544 -8.875 89 H LEU 13 HN LEU 13 -0.091 -10.482 -2.506 90 HA LEU 13 HA LEU 13 0.980 -8.167 -1.204 91 HB2 LEU 13 HB2 LEU 13 0.384 -10.401 -0.130 92 HB3 LEU 13 HB1 LEU 13 1.872 -11.031 -0.808 93 HG LEU 13 HG LEU 13 3.032 -9.120 0.439 94 HD11 LEU 13 HD11 LEU 13 0.397 -9.138 1.897 95 HD12 LEU 13 HD12 LEU 13 1.061 -7.800 0.959 96 HD13 LEU 13 HD13 LEU 13 1.862 -8.320 2.445 97 HD21 LEU 13 HD21 LEU 13 3.234 -11.453 1.071 98 HD22 LEU 13 HD22 LEU 13 1.721 -11.355 1.972 99 HD23 LEU 13 HD23 LEU 13 3.127 -10.430 2.503 100 H ASP 14 HN ASP 14 2.087 -10.378 -3.676 101 HA ASP 14 HA ASP 14 4.848 -9.550 -3.470 102 HB2 ASP 14 HB2 ASP 14 3.509 -11.750 -4.560 103 HB3 ASP 14 HB1 ASP 14 4.082 -10.874 -5.965 104 H ALA 15 HN ALA 15 1.987 -8.686 -5.216 105 HA ALA 15 HA ALA 15 3.408 -7.268 -7.282 106 HB1 ALA 15 HB1 ALA 15 1.281 -8.433 -7.745 107 HB2 ALA 15 HB2 ALA 15 1.229 -6.728 -8.177 108 HB3 ALA 15 HB3 ALA 15 0.451 -7.284 -6.698 109 H VAL 16 HN VAL 16 1.903 -6.523 -4.233 110 HA VAL 16 HA VAL 16 1.672 -3.740 -4.656 111 HB VAL 16 HB VAL 16 0.374 -4.643 -2.893 112 HG11 VAL 16 HG11 VAL 16 1.378 -5.664 -0.889 113 HG12 VAL 16 HG12 VAL 16 2.970 -5.555 -1.646 114 HG13 VAL 16 HG13 VAL 16 1.723 -6.586 -2.355 115 HG21 VAL 16 HG21 VAL 16 2.629 -3.001 -1.727 116 HG22 VAL 16 HG22 VAL 16 1.034 -3.228 -0.998 117 HG23 VAL 16 HG23 VAL 16 1.187 -2.373 -2.534 118 H MET 17 HN MET 17 4.215 -5.731 -3.262 119 HA MET 17 HA MET 17 5.787 -3.588 -2.324 120 HB2 MET 17 HB2 MET 17 6.664 -6.386 -3.103 121 HB3 MET 17 HB1 MET 17 7.594 -5.246 -2.160 122 HG2 MET 17 HG2 MET 17 5.932 -5.288 -0.400 123 HG3 MET 17 HG1 MET 17 4.961 -6.408 -1.349 124 HE1 MET 17 HE1 MET 17 8.377 -5.915 0.567 125 HE2 MET 17 HE2 MET 17 8.885 -6.386 -1.054 126 HE3 MET 17 HE3 MET 17 9.139 -7.483 0.304 127 H ARG 18 HN ARG 18 5.504 -5.127 -5.465 128 HA ARG 18 HA ARG 18 7.914 -4.024 -6.501 129 HB2 ARG 18 HB2 ARG 18 7.278 -4.913 -8.608 130 HB3 ARG 18 HB1 ARG 18 6.782 -6.078 -7.390 131 HG2 ARG 18 HG2 ARG 18 4.502 -5.243 -7.529 132 HG3 ARG 18 HG1 ARG 18 5.001 -4.085 -8.766 133 HD2 ARG 18 HD2 ARG 18 5.704 -5.959 -10.197 134 HD3 ARG 18 HD1 ARG 18 5.171 -7.090 -8.954 135 HE ARG 18 HE ARG 18 3.129 -5.269 -9.911 136 HH11 ARG 18 HH11 ARG 18 4.636 -8.420 -10.271 137 HH12 ARG 18 HH12 ARG 18 3.287 -9.100 -11.142 138 HH21 ARG 18 HH21 ARG 18 1.345 -6.151 -11.045 139 HH22 ARG 18 HH22 ARG 18 1.423 -7.812 -11.571 140 H VAL 19 HN VAL 19 4.640 -2.885 -6.167 141 HA VAL 19 HA VAL 19 4.998 -0.713 -8.058 142 HB VAL 19 HB VAL 19 2.768 -1.379 -6.114 143 HG11 VAL 19 HG11 VAL 19 1.456 0.370 -7.241 144 HG12 VAL 19 HG12 VAL 19 2.890 0.861 -8.135 145 HG13 VAL 19 HG13 VAL 19 2.843 1.031 -6.379 146 HG21 VAL 19 HG21 VAL 19 1.528 -2.043 -8.056 147 HG22 VAL 19 HG22 VAL 19 3.100 -2.845 -8.114 148 HG23 VAL 19 HG23 VAL 19 2.789 -1.438 -9.130 149 H VAL 20 HN VAL 20 5.098 -1.349 -4.652 150 HA VAL 20 HA VAL 20 5.379 1.332 -3.776 151 HB VAL 20 HB VAL 20 5.979 -1.357 -2.516 152 HG11 VAL 20 HG11 VAL 20 6.550 -0.206 -0.420 153 HG12 VAL 20 HG12 VAL 20 6.529 1.340 -1.274 154 HG13 VAL 20 HG13 VAL 20 7.724 0.114 -1.697 155 HG21 VAL 20 HG21 VAL 20 4.243 -0.604 -0.913 156 HG22 VAL 20 HG22 VAL 20 3.652 -0.708 -2.568 157 HG23 VAL 20 HG23 VAL 20 4.033 0.865 -1.867 158 H SER 21 HN SER 21 7.656 -1.112 -4.949 159 HA SER 21 HA SER 21 10.029 0.096 -4.098 160 HB2 SER 21 HB2 SER 21 9.547 -1.435 -6.601 161 HB3 SER 21 HB1 SER 21 11.118 -1.101 -5.926 162 HG SER 21 HG SER 21 9.250 -2.331 -4.271 163 H GLU 22 HN GLU 22 8.324 0.414 -7.147 164 HA GLU 22 HA GLU 22 9.944 2.221 -8.452 165 HB2 GLU 22 HB2 GLU 22 6.925 2.118 -8.588 166 HB3 GLU 22 HB1 GLU 22 8.011 2.751 -9.821 167 HG2 GLU 22 HG2 GLU 22 7.902 -0.120 -8.924 168 HG3 GLU 22 HG1 GLU 22 7.137 0.529 -10.374 169 H GLU 23 HN GLU 23 7.053 3.014 -6.540 170 HA GLU 23 HA GLU 23 7.405 5.809 -7.101 171 HB2 GLU 23 HB2 GLU 23 5.380 4.454 -5.302 172 HB3 GLU 23 HB1 GLU 23 5.269 6.094 -5.913 173 HG2 GLU 23 HG2 GLU 23 5.092 3.531 -7.462 174 HG3 GLU 23 HG1 GLU 23 3.816 4.714 -7.203 175 H SER 24 HN SER 24 8.416 3.744 -4.569 176 HA SER 24 HA SER 24 8.691 5.967 -2.679 177 HB2 SER 24 HB2 SER 24 9.319 3.037 -2.298 178 HB3 SER 24 HB1 SER 24 9.272 4.272 -1.036 179 HG SER 24 HG SER 24 7.165 3.088 -2.470 180 H GLY 25 HN GLY 25 10.593 3.759 -4.643 181 HA2 GLY 25 HA2 GLY 25 12.824 4.215 -5.370 182 HA3 GLY 25 HA1 GLY 25 12.995 5.351 -4.032 183 H ILE 26 HN ILE 26 11.516 2.544 -2.976 184 HA ILE 26 HA ILE 26 14.045 1.546 -1.870 185 HB ILE 26 HB ILE 26 11.331 0.668 -0.920 186 HG12 ILE 26 HG12 ILE 26 12.843 3.034 0.238 187 HG13 ILE 26 HG11 ILE 26 11.456 3.186 -0.844 188 HG21 ILE 26 HG21 ILE 26 12.544 0.251 1.169 189 HG22 ILE 26 HG22 ILE 26 14.022 0.865 0.425 190 HG23 ILE 26 HG23 ILE 26 13.268 -0.607 -0.195 191 HD11 ILE 26 HD11 ILE 26 11.513 1.931 1.897 192 HD12 ILE 26 HD12 ILE 26 10.115 1.918 0.827 193 HD13 ILE 26 HD13 ILE 26 10.740 3.449 1.441 194 H ALA 27 HN ALA 27 14.850 -0.004 -3.131 195 HA ALA 27 HA ALA 27 13.478 -1.625 -4.936 196 HB1 ALA 27 HB1 ALA 27 15.921 -1.231 -4.917 197 HB2 ALA 27 HB2 ALA 27 15.513 -2.939 -5.029 198 HB3 ALA 27 HB3 ALA 27 16.052 -2.264 -3.495 199 H LEU 28 HN LEU 28 12.802 -3.769 -4.886 200 HA LEU 28 HA LEU 28 11.238 -4.605 -2.792 201 HB2 LEU 28 HB2 LEU 28 11.309 -5.437 -5.176 202 HB3 LEU 28 HB1 LEU 28 12.674 -6.430 -4.722 203 HG LEU 28 HG LEU 28 11.032 -7.406 -2.941 204 HD11 LEU 28 HD11 LEU 28 9.112 -6.344 -5.016 205 HD12 LEU 28 HD12 LEU 28 9.223 -5.794 -3.343 206 HD13 LEU 28 HD13 LEU 28 8.711 -7.446 -3.697 207 HD21 LEU 28 HD21 LEU 28 10.351 -9.093 -4.573 208 HD22 LEU 28 HD22 LEU 28 12.044 -8.636 -4.773 209 HD23 LEU 28 HD23 LEU 28 10.827 -8.009 -5.881 210 H GLU 29 HN GLU 29 14.671 -5.163 -3.260 211 HA GLU 29 HA GLU 29 14.919 -7.267 -1.333 212 HB2 GLU 29 HB2 GLU 29 17.083 -5.466 -2.412 213 HB3 GLU 29 HB1 GLU 29 17.294 -7.012 -1.603 214 HG2 GLU 29 HG2 GLU 29 15.806 -6.682 -4.186 215 HG3 GLU 29 HG1 GLU 29 17.519 -7.103 -4.081 216 H GLU 30 HN GLU 30 14.749 -3.860 -1.128 217 HA GLU 30 HA GLU 30 15.916 -3.905 1.584 218 HB2 GLU 30 HB2 GLU 30 15.424 -1.481 -0.151 219 HB3 GLU 30 HB1 GLU 30 16.313 -1.540 1.367 220 HG2 GLU 30 HG2 GLU 30 17.960 -3.049 0.201 221 HG3 GLU 30 HG1 GLU 30 17.132 -2.626 -1.301 222 H LEU 31 HN LEU 31 13.080 -4.051 0.005 223 HA LEU 31 HA LEU 31 11.584 -2.152 1.544 224 HB2 LEU 31 HB2 LEU 31 11.120 -3.659 -0.764 225 HB3 LEU 31 HB1 LEU 31 10.029 -4.367 0.418 226 HG LEU 31 HG LEU 31 10.023 -1.641 -0.787 227 HD11 LEU 31 HD11 LEU 31 7.891 -3.632 -0.049 228 HD12 LEU 31 HD12 LEU 31 8.552 -3.352 -1.657 229 HD13 LEU 31 HD13 LEU 31 7.611 -2.092 -0.858 230 HD21 LEU 31 HD21 LEU 31 10.184 -1.130 1.569 231 HD22 LEU 31 HD22 LEU 31 8.900 -2.282 1.935 232 HD23 LEU 31 HD23 LEU 31 8.541 -0.828 1.005 233 H THR 32 HN THR 32 11.855 -2.550 3.660 234 HA THR 32 HA THR 32 11.172 -5.218 4.656 235 HB THR 32 HB THR 32 12.239 -4.540 6.762 236 HG1 THR 32 HG1 THR 32 13.512 -2.351 6.238 237 HG21 THR 32 HG21 THR 32 13.745 -5.533 5.152 238 HG22 THR 32 HG22 THR 32 14.582 -4.203 5.940 239 HG23 THR 32 HG23 THR 32 13.940 -3.994 4.307 240 H ASP 33 HN ASP 33 9.749 -5.316 6.556 241 HA ASP 33 HA ASP 33 7.440 -3.693 6.076 242 HB2 ASP 33 HB2 ASP 33 6.344 -5.068 7.709 243 HB3 ASP 33 HB1 ASP 33 7.369 -6.107 6.726 244 H ASP 34 HN ASP 34 10.192 -3.309 7.916 245 HA ASP 34 HA ASP 34 8.946 -1.860 10.095 246 HB2 ASP 34 HB2 ASP 34 10.816 -3.373 10.561 247 HB3 ASP 34 HB1 ASP 34 11.854 -2.433 9.487 248 H SER 35 HN SER 35 10.434 -1.180 7.039 249 HA SER 35 HA SER 35 11.370 1.454 7.674 250 HB2 SER 35 HB2 SER 35 10.639 0.311 4.956 251 HB3 SER 35 HB1 SER 35 11.563 1.782 5.244 252 HG SER 35 HG SER 35 12.296 -0.873 5.950 253 H ASN 36 HN ASN 36 10.489 3.441 7.026 254 HA ASN 36 HA ASN 36 7.552 3.383 7.317 255 HB2 ASN 36 HB2 ASN 36 8.775 4.301 9.262 256 HB3 ASN 36 HB1 ASN 36 9.520 5.509 8.223 257 HD21 ASN 36 HD21 ASN 36 6.196 4.481 7.890 258 HD22 ASN 36 HD22 ASN 36 5.509 5.975 8.405 259 H PHE 37 HN PHE 37 6.392 4.172 5.679 260 HA PHE 37 HA PHE 37 7.417 5.202 3.320 261 HB2 PHE 37 HB2 PHE 37 4.702 5.354 4.601 262 HB3 PHE 37 HB1 PHE 37 5.019 6.180 3.078 263 HD1 PHE 37 HD1 PHE 37 6.377 4.552 1.338 264 HD2 PHE 37 HD2 PHE 37 3.726 3.333 4.434 265 HE1 PHE 37 HE1 PHE 37 5.947 2.442 0.137 266 HE2 PHE 37 HE2 PHE 37 3.291 1.237 3.255 267 HZ PHE 37 HZ PHE 37 4.508 0.803 1.016 268 H ALA 38 HN ALA 38 6.002 6.966 6.066 269 HA ALA 38 HA ALA 38 6.333 9.548 4.966 270 HB1 ALA 38 HB1 ALA 38 4.752 9.063 6.747 271 HB2 ALA 38 HB2 ALA 38 5.870 10.344 7.224 272 HB3 ALA 38 HB3 ALA 38 6.083 8.709 7.849 273 H ASP 39 HN ASP 39 8.464 7.486 6.836 274 HA ASP 39 HA ASP 39 10.349 9.513 7.538 275 HB2 ASP 39 HB2 ASP 39 10.110 7.307 8.732 276 HB3 ASP 39 HB1 ASP 39 10.833 6.532 7.327 277 H MET 40 HN MET 40 9.890 7.325 4.893 278 HA MET 40 HA MET 40 12.474 7.727 3.716 279 HB2 MET 40 HB2 MET 40 11.002 5.677 3.505 280 HB3 MET 40 HB1 MET 40 10.029 6.616 2.374 281 HG2 MET 40 HG2 MET 40 11.531 5.363 1.083 282 HG3 MET 40 HG1 MET 40 12.096 7.032 1.093 283 HE1 MET 40 HE1 MET 40 12.500 4.596 4.139 284 HE2 MET 40 HE2 MET 40 14.040 3.818 3.776 285 HE3 MET 40 HE3 MET 40 12.625 3.488 2.775 286 H GLY 41 HN GLY 41 9.458 9.360 3.641 287 HA2 GLY 41 HA2 GLY 41 9.439 11.651 2.855 288 HA3 GLY 41 HA1 GLY 41 10.586 11.181 1.605 289 H ILE 42 HN ILE 42 7.894 9.100 2.267 290 HA ILE 42 HA ILE 42 6.858 9.365 -0.360 291 HB ILE 42 HB ILE 42 5.700 8.078 2.121 292 HG12 ILE 42 HG12 ILE 42 7.749 7.107 1.084 293 HG13 ILE 42 HG11 ILE 42 6.370 6.013 1.070 294 HG21 ILE 42 HG21 ILE 42 4.604 8.057 -0.686 295 HG22 ILE 42 HG22 ILE 42 3.830 8.728 0.752 296 HG23 ILE 42 HG23 ILE 42 4.076 6.986 0.613 297 HD11 ILE 42 HD11 ILE 42 7.544 5.888 -1.026 298 HD12 ILE 42 HD12 ILE 42 7.404 7.634 -1.243 299 HD13 ILE 42 HD13 ILE 42 5.961 6.622 -1.281 300 H ASP 43 HN ASP 43 5.996 11.166 -1.046 301 HA ASP 43 HA ASP 43 4.617 13.000 0.720 302 HB2 ASP 43 HB2 ASP 43 6.143 13.805 -1.038 303 HB3 ASP 43 HB1 ASP 43 5.110 13.091 -2.267 304 H SER 44 HN SER 44 2.500 13.972 -0.102 305 HA SER 44 HA SER 44 0.444 12.088 -0.178 306 HB2 SER 44 HB2 SER 44 -0.927 14.095 -1.015 307 HB3 SER 44 HB1 SER 44 -0.073 14.313 0.518 308 H LEU 45 HN LEU 45 2.113 13.807 -2.777 309 HA LEU 45 HA LEU 45 0.561 12.971 -4.948 310 HB2 LEU 45 HB2 LEU 45 2.445 14.695 -4.906 311 HB3 LEU 45 HB1 LEU 45 3.567 13.349 -4.958 312 HG LEU 45 HG LEU 45 3.112 14.553 -7.137 313 HD11 LEU 45 HD11 LEU 45 3.091 12.485 -8.466 314 HD12 LEU 45 HD12 LEU 45 2.645 11.578 -7.019 315 HD13 LEU 45 HD13 LEU 45 4.205 12.396 -7.101 316 HD21 LEU 45 HD21 LEU 45 0.716 14.816 -6.935 317 HD22 LEU 45 HD22 LEU 45 0.501 13.065 -6.918 318 HD23 LEU 45 HD23 LEU 45 1.107 13.864 -8.368 319 H SER 46 HN SER 46 3.516 11.476 -3.598 320 HA SER 46 HA SER 46 3.523 9.256 -5.321 321 HB2 SER 46 HB2 SER 46 4.671 9.442 -2.522 322 HB3 SER 46 HB1 SER 46 5.141 8.284 -3.768 323 HG SER 46 HG SER 46 6.293 9.766 -4.724 324 H SER 47 HN SER 47 2.134 9.735 -2.109 325 HA SER 47 HA SER 47 1.270 7.110 -1.637 326 HB2 SER 47 HB2 SER 47 0.007 9.709 -0.731 327 HB3 SER 47 HB1 SER 47 -0.309 8.117 -0.039 328 HG SER 47 HG SER 47 2.107 9.595 -0.003 329 H MET 48 HN MET 48 -0.239 9.787 -3.365 330 HA MET 48 HA MET 48 -2.761 8.533 -3.758 331 HB2 MET 48 HB2 MET 48 -2.452 10.967 -4.042 332 HB3 MET 48 HB1 MET 48 -1.363 10.681 -5.383 333 HG2 MET 48 HG2 MET 48 -3.393 9.447 -6.424 334 HG3 MET 48 HG1 MET 48 -4.330 10.405 -5.279 335 HE1 MET 48 HE1 MET 48 -0.996 11.362 -7.183 336 HE2 MET 48 HE2 MET 48 -1.663 12.155 -8.610 337 HE3 MET 48 HE3 MET 48 -1.931 10.430 -8.350 338 H VAL 49 HN VAL 49 0.165 8.865 -5.653 339 HA VAL 49 HA VAL 49 -0.679 7.590 -7.989 340 HB VAL 49 HB VAL 49 2.064 7.910 -6.741 341 HG11 VAL 49 HG11 VAL 49 2.081 5.875 -8.081 342 HG12 VAL 49 HG12 VAL 49 3.026 7.143 -8.858 343 HG13 VAL 49 HG13 VAL 49 1.413 6.748 -9.457 344 HG21 VAL 49 HG21 VAL 49 2.420 9.509 -8.561 345 HG22 VAL 49 HG22 VAL 49 1.014 9.963 -7.604 346 HG23 VAL 49 HG23 VAL 49 0.797 9.196 -9.176 347 H ILE 50 HN ILE 50 1.202 6.185 -5.270 348 HA ILE 50 HA ILE 50 1.278 3.563 -6.078 349 HB ILE 50 HB ILE 50 0.905 4.558 -3.248 350 HG12 ILE 50 HG12 ILE 50 3.423 3.993 -4.827 351 HG13 ILE 50 HG11 ILE 50 2.819 5.590 -4.401 352 HG21 ILE 50 HG21 ILE 50 2.039 1.959 -4.266 353 HG22 ILE 50 HG22 ILE 50 0.492 2.169 -3.444 354 HG23 ILE 50 HG23 ILE 50 1.998 2.482 -2.581 355 HD11 ILE 50 HD11 ILE 50 4.620 4.969 -2.942 356 HD12 ILE 50 HD12 ILE 50 3.792 3.476 -2.502 357 HD13 ILE 50 HD13 ILE 50 3.117 5.035 -2.025 358 H GLY 51 HN GLY 51 -1.236 5.071 -4.052 359 HA2 GLY 51 HA2 GLY 51 -2.913 2.832 -3.833 360 HA3 GLY 51 HA1 GLY 51 -3.434 4.505 -3.693 361 H SER 52 HN SER 52 -2.729 5.337 -6.304 362 HA SER 52 HA SER 52 -5.006 4.488 -7.782 363 HB2 SER 52 HB2 SER 52 -3.471 6.686 -7.970 364 HB3 SER 52 HB1 SER 52 -2.734 5.729 -9.265 365 HG SER 52 HG SER 52 -4.901 7.157 -9.435 366 H ARG 53 HN ARG 53 -1.546 3.679 -8.061 367 HA ARG 53 HA ARG 53 -1.904 2.096 -10.390 368 HB2 ARG 53 HB2 ARG 53 0.354 1.787 -8.402 369 HB3 ARG 53 HB1 ARG 53 0.361 1.346 -10.103 370 HG2 ARG 53 HG2 ARG 53 -0.102 3.936 -10.405 371 HG3 ARG 53 HG1 ARG 53 0.669 4.008 -8.824 372 HD2 ARG 53 HD2 ARG 53 2.635 4.004 -9.893 373 HD3 ARG 53 HD1 ARG 53 2.308 2.318 -10.306 374 HE ARG 53 HE ARG 53 1.028 3.509 -12.280 375 HH11 ARG 53 HH11 ARG 53 4.190 4.277 -10.978 376 HH12 ARG 53 HH12 ARG 53 4.774 4.913 -12.486 377 HH21 ARG 53 HH21 ARG 53 1.805 4.328 -14.253 378 HH22 ARG 53 HH22 ARG 53 3.421 4.957 -14.343 379 H PHE 54 HN PHE 54 -2.344 1.495 -7.018 380 HA PHE 54 HA PHE 54 -2.462 -1.315 -6.997 381 HB2 PHE 54 HB2 PHE 54 -4.034 0.799 -5.505 382 HB3 PHE 54 HB1 PHE 54 -4.327 -0.918 -5.266 383 HD1 PHE 54 HD1 PHE 54 -1.037 -0.845 -5.953 384 HD2 PHE 54 HD2 PHE 54 -3.724 0.373 -2.913 385 HE1 PHE 54 HE1 PHE 54 0.805 -0.909 -4.320 386 HE2 PHE 54 HE2 PHE 54 -1.910 0.281 -1.247 387 HZ PHE 54 HZ PHE 54 0.292 -0.372 -1.878 388 H ARG 55 HN ARG 55 -4.820 1.131 -7.914 389 HA ARG 55 HA ARG 55 -6.856 -0.786 -8.542 390 HB2 ARG 55 HB2 ARG 55 -6.906 2.021 -9.577 391 HB3 ARG 55 HB1 ARG 55 -8.228 1.029 -8.983 392 HG2 ARG 55 HG2 ARG 55 -7.157 1.271 -6.683 393 HG3 ARG 55 HG1 ARG 55 -6.171 2.537 -7.416 394 HD2 ARG 55 HD2 ARG 55 -9.155 2.464 -7.087 395 HD3 ARG 55 HD1 ARG 55 -8.010 3.657 -6.472 396 HE ARG 55 HE ARG 55 -7.819 3.663 -9.256 397 HH11 ARG 55 HH11 ARG 55 -10.134 4.520 -6.776 398 HH12 ARG 55 HH12 ARG 55 -10.990 5.652 -7.779 399 HH21 ARG 55 HH21 ARG 55 -8.908 5.150 -10.574 400 HH22 ARG 55 HH22 ARG 55 -10.271 6.021 -9.945 401 H GLU 56 HN GLU 56 -4.282 0.844 -10.219 402 HA GLU 56 HA GLU 56 -5.206 0.394 -12.880 403 HB2 GLU 56 HB2 GLU 56 -2.451 0.960 -11.779 404 HB3 GLU 56 HB1 GLU 56 -2.796 0.822 -13.494 405 HG2 GLU 56 HG2 GLU 56 -4.302 2.732 -13.358 406 HG3 GLU 56 HG1 GLU 56 -3.983 2.863 -11.626 407 H ASP 57 HN ASP 57 -2.558 -1.122 -11.057 408 HA ASP 57 HA ASP 57 -2.267 -3.103 -13.165 409 HB2 ASP 57 HB2 ASP 57 -0.295 -1.933 -12.242 410 HB3 ASP 57 HB1 ASP 57 -0.622 -2.640 -10.665 411 H LEU 58 HN LEU 58 -3.280 -2.960 -9.807 412 HA LEU 58 HA LEU 58 -3.317 -5.881 -9.670 413 HB2 LEU 58 HB2 LEU 58 -3.454 -3.754 -7.544 414 HB3 LEU 58 HB1 LEU 58 -3.840 -5.430 -7.206 415 HG LEU 58 HG LEU 58 -1.571 -6.095 -7.874 416 HD11 LEU 58 HD11 LEU 58 -1.202 -4.257 -9.481 417 HD12 LEU 58 HD12 LEU 58 0.136 -4.481 -8.357 418 HD13 LEU 58 HD13 LEU 58 -0.998 -3.149 -8.124 419 HD21 LEU 58 HD21 LEU 58 -0.404 -5.198 -5.965 420 HD22 LEU 58 HD22 LEU 58 -2.082 -5.536 -5.534 421 HD23 LEU 58 HD23 LEU 58 -1.566 -3.875 -5.839 422 H GLY 59 HN GLY 59 -5.430 -3.082 -9.319 423 HA2 GLY 59 HA2 GLY 59 -7.701 -3.073 -9.966 424 HA3 GLY 59 HA1 GLY 59 -7.724 -4.824 -9.825 425 H LEU 60 HN LEU 60 -6.414 -2.736 -7.334 426 HA LEU 60 HA LEU 60 -8.305 -3.779 -5.417 427 HB2 LEU 60 HB2 LEU 60 -6.059 -1.800 -5.160 428 HB3 LEU 60 HB1 LEU 60 -7.071 -2.283 -3.818 429 HG LEU 60 HG LEU 60 -5.357 -4.187 -5.413 430 HD11 LEU 60 HD11 LEU 60 -4.865 -2.934 -2.713 431 HD12 LEU 60 HD12 LEU 60 -3.979 -2.577 -4.196 432 HD13 LEU 60 HD13 LEU 60 -3.874 -4.182 -3.467 433 HD21 LEU 60 HD21 LEU 60 -5.812 -5.714 -3.550 434 HD22 LEU 60 HD22 LEU 60 -7.299 -5.230 -4.365 435 HD23 LEU 60 HD23 LEU 60 -6.864 -4.503 -2.817 436 H ASP 61 HN ASP 61 -10.324 -2.956 -5.627 437 HA ASP 61 HA ASP 61 -10.659 -0.109 -6.138 438 HB2 ASP 61 HB2 ASP 61 -12.623 -2.397 -6.096 439 HB3 ASP 61 HB1 ASP 61 -13.140 -0.714 -6.182 440 H LEU 62 HN LEU 62 -9.639 0.208 -3.950 441 HA LEU 62 HA LEU 62 -11.475 -0.123 -1.722 442 HB2 LEU 62 HB2 LEU 62 -8.768 1.192 -1.923 443 HB3 LEU 62 HB1 LEU 62 -9.679 1.023 -0.435 444 HG LEU 62 HG LEU 62 -8.774 -1.321 -2.102 445 HD11 LEU 62 HD11 LEU 62 -6.848 -0.065 -1.299 446 HD12 LEU 62 HD12 LEU 62 -7.001 -1.606 -0.456 447 HD13 LEU 62 HD13 LEU 62 -7.490 -0.111 0.343 448 HD21 LEU 62 HD21 LEU 62 -9.810 -1.104 0.728 449 HD22 LEU 62 HD22 LEU 62 -9.232 -2.580 -0.044 450 HD23 LEU 62 HD23 LEU 62 -10.678 -1.777 -0.652 451 H GLY 63 HN GLY 63 -11.074 2.031 -4.201 452 HA2 GLY 63 HA2 GLY 63 -12.754 3.823 -4.397 453 HA3 GLY 63 HA1 GLY 63 -12.504 4.101 -2.681 454 HA PRO 64 HA PRO 64 -9.573 6.874 -5.002 455 HB2 PRO 64 HB2 PRO 64 -10.958 9.148 -5.248 456 HB3 PRO 64 HB1 PRO 64 -11.177 7.813 -6.394 457 HG2 PRO 64 HG2 PRO 64 -12.894 8.641 -4.097 458 HG3 PRO 64 HG1 PRO 64 -13.374 8.061 -5.697 459 HD2 PRO 64 HD2 PRO 64 -13.264 6.517 -3.373 460 HD3 PRO 64 HD1 PRO 64 -13.303 5.887 -5.031 461 H GLU 65 HN GLU 65 -11.333 6.861 -2.157 462 HA GLU 65 HA GLU 65 -10.243 9.308 -1.044 463 HB2 GLU 65 HB2 GLU 65 -12.629 8.465 -0.701 464 HB3 GLU 65 HB1 GLU 65 -11.945 7.232 0.351 465 HG2 GLU 65 HG2 GLU 65 -11.122 8.944 1.865 466 HG3 GLU 65 HG1 GLU 65 -11.712 10.212 0.788 467 H PHE 66 HN PHE 66 -8.964 6.418 -1.570 468 HA PHE 66 HA PHE 66 -7.761 5.989 1.049 469 HB2 PHE 66 HB2 PHE 66 -8.567 4.050 -0.252 470 HB3 PHE 66 HB1 PHE 66 -7.451 4.458 -1.547 471 HD1 PHE 66 HD2 PHE 66 -7.667 3.256 1.942 472 HD2 PHE 66 HD1 PHE 66 -5.194 3.824 -1.477 473 HE1 PHE 66 HE2 PHE 66 -5.924 1.864 2.970 474 HE2 PHE 66 HE1 PHE 66 -3.456 2.430 -0.453 475 HZ PHE 66 HZ PHE 66 -3.812 1.449 1.776 476 H SER 67 HN SER 67 -5.949 6.954 1.595 477 HA SER 67 HA SER 67 -3.882 7.381 -0.429 478 HB2 SER 67 HB2 SER 67 -4.813 9.508 1.515 479 HB3 SER 67 HB1 SER 67 -3.462 9.660 0.392 480 HG SER 67 HG SER 67 -5.692 8.879 -0.913 481 H LEU 68 HN LEU 68 -2.034 6.563 0.265 482 HA LEU 68 HA LEU 68 -1.716 5.311 2.732 483 HB2 LEU 68 HB2 LEU 68 0.436 6.338 0.889 484 HB3 LEU 68 HB1 LEU 68 0.706 5.232 2.215 485 HG LEU 68 HG LEU 68 -0.817 4.700 -0.332 486 HD11 LEU 68 HD11 LEU 68 1.691 3.554 0.882 487 HD12 LEU 68 HD12 LEU 68 1.569 4.533 -0.582 488 HD13 LEU 68 HD13 LEU 68 0.882 2.905 -0.544 489 HD21 LEU 68 HD21 LEU 68 -1.184 2.439 0.564 490 HD22 LEU 68 HD22 LEU 68 -2.026 3.671 1.503 491 HD23 LEU 68 HD23 LEU 68 -0.532 2.963 2.117 492 H PHE 69 HN PHE 69 -0.593 8.479 1.685 493 HA PHE 69 HA PHE 69 1.076 9.123 3.808 494 HB2 PHE 69 HB2 PHE 69 0.820 10.312 1.597 495 HB3 PHE 69 HB1 PHE 69 -0.636 11.070 2.235 496 HD1 PHE 69 HD1 PHE 69 2.361 10.465 4.295 497 HD2 PHE 69 HD2 PHE 69 0.168 13.280 1.980 498 HE1 PHE 69 HE1 PHE 69 3.752 12.287 5.196 499 HE2 PHE 69 HE2 PHE 69 1.548 15.110 2.883 500 HZ PHE 69 HZ PHE 69 3.343 14.610 4.493 501 H ILE 70 HN ILE 70 -2.293 8.715 3.946 502 HA ILE 70 HA ILE 70 -2.443 10.462 6.318 503 HB ILE 70 HB ILE 70 -4.713 9.754 4.419 504 HG12 ILE 70 HG12 ILE 70 -3.415 12.401 5.139 505 HG13 ILE 70 HG11 ILE 70 -3.213 11.544 3.617 506 HG21 ILE 70 HG21 ILE 70 -6.143 11.117 5.848 507 HG22 ILE 70 HG22 ILE 70 -4.816 11.343 6.987 508 HG23 ILE 70 HG23 ILE 70 -5.497 9.738 6.734 509 HD11 ILE 70 HD11 ILE 70 -5.556 11.856 3.093 510 HD12 ILE 70 HD12 ILE 70 -4.785 13.406 3.427 511 HD13 ILE 70 HD13 ILE 70 -5.818 12.653 4.644 512 H ASP 71 HN ASP 71 -3.334 7.300 4.978 513 HA ASP 71 HA ASP 71 -4.262 6.535 7.675 514 HB2 ASP 71 HB2 ASP 71 -6.052 6.714 5.931 515 HB3 ASP 71 HB1 ASP 71 -5.274 5.397 5.062 516 H CYS 72 HN CYS 72 -1.622 6.147 5.947 517 HA CYS 72 HA CYS 72 -1.177 3.427 6.882 518 HB2 CYS 72 HB2 CYS 72 -0.752 4.232 3.998 519 HB3 CYS 72 HB1 CYS 72 -0.195 2.725 4.717 520 HG CYS 72 HG CYS 72 -3.330 2.868 5.422 521 H THR 73 HN THR 73 0.634 3.474 7.997 522 HA THR 73 HA THR 73 2.378 5.801 7.606 523 HB THR 73 HB THR 73 3.105 5.323 9.951 524 HG1 THR 73 HG1 THR 73 1.742 3.827 11.129 525 HG21 THR 73 HG21 THR 73 0.949 6.006 10.995 526 HG22 THR 73 HG22 THR 73 0.143 5.682 9.456 527 HG23 THR 73 HG23 THR 73 1.360 6.952 9.563 528 H THR 74 HN THR 74 3.059 2.544 8.979 529 HA THR 74 HA THR 74 5.614 2.545 7.615 530 HB THR 74 HB THR 74 6.042 0.435 8.779 531 HG1 THR 74 HG1 THR 74 4.260 -0.135 10.369 532 HG21 THR 74 HG21 THR 74 4.761 2.490 10.583 533 HG22 THR 74 HG22 THR 74 6.417 2.547 9.977 534 HG23 THR 74 HG23 THR 74 5.925 1.260 11.078 535 H VAL 75 HN VAL 75 6.020 -0.110 6.888 536 HA VAL 75 HA VAL 75 4.476 -0.084 4.449 537 HB VAL 75 HB VAL 75 6.958 -1.520 5.284 538 HG11 VAL 75 HG11 VAL 75 5.613 -3.227 4.186 539 HG12 VAL 75 HG12 VAL 75 6.952 -2.734 3.155 540 HG13 VAL 75 HG13 VAL 75 5.326 -2.142 2.828 541 HG21 VAL 75 HG21 VAL 75 7.795 -0.463 3.210 542 HG22 VAL 75 HG22 VAL 75 7.167 0.713 4.366 543 HG23 VAL 75 HG23 VAL 75 6.195 0.247 2.965 544 H ARG 76 HN ARG 76 5.103 -2.056 7.231 545 HA ARG 76 HA ARG 76 3.550 -4.279 6.695 546 HB2 ARG 76 HB2 ARG 76 5.127 -3.795 8.623 547 HB3 ARG 76 HB1 ARG 76 3.774 -2.987 9.397 548 HG2 ARG 76 HG2 ARG 76 3.750 -5.100 10.294 549 HG3 ARG 76 HG1 ARG 76 2.520 -5.200 9.027 550 HD2 ARG 76 HD2 ARG 76 4.135 -6.245 7.526 551 HD3 ARG 76 HD1 ARG 76 5.386 -6.111 8.761 552 HE ARG 76 HE ARG 76 3.025 -7.870 8.917 553 HH11 ARG 76 HH11 ARG 76 6.291 -7.026 9.926 554 HH12 ARG 76 HH12 ARG 76 6.547 -8.546 10.740 555 HH21 ARG 76 HH21 ARG 76 3.384 -9.850 9.995 556 HH22 ARG 76 HH22 ARG 76 4.913 -10.133 10.783 557 H ALA 77 HN ALA 77 2.655 -1.062 7.815 558 HA ALA 77 HA ALA 77 0.015 -1.587 8.603 559 HB1 ALA 77 HB1 ALA 77 1.185 0.511 9.122 560 HB2 ALA 77 HB2 ALA 77 -0.375 0.801 8.359 561 HB3 ALA 77 HB3 ALA 77 1.105 0.973 7.424 562 H LEU 78 HN LEU 78 1.383 -0.863 5.425 563 HA LEU 78 HA LEU 78 -1.101 -0.758 4.022 564 HB2 LEU 78 HB2 LEU 78 1.453 -0.148 3.426 565 HB3 LEU 78 HB1 LEU 78 1.356 -1.704 2.647 566 HG LEU 78 HG LEU 78 -0.482 0.612 2.073 567 HD11 LEU 78 HD11 LEU 78 2.069 -0.292 0.735 568 HD12 LEU 78 HD12 LEU 78 1.731 1.279 1.462 569 HD13 LEU 78 HD13 LEU 78 0.903 0.798 -0.020 570 HD21 LEU 78 HD21 LEU 78 0.026 -1.933 0.536 571 HD22 LEU 78 HD22 LEU 78 -1.000 -0.596 0.023 572 HD23 LEU 78 HD23 LEU 78 -1.436 -1.544 1.451 573 H LYS 79 HN LYS 79 1.388 -3.219 4.461 574 HA LYS 79 HA LYS 79 0.306 -5.382 3.082 575 HB2 LYS 79 HB2 LYS 79 1.852 -5.442 5.674 576 HB3 LYS 79 HB1 LYS 79 1.734 -6.748 4.498 577 HG2 LYS 79 HG2 LYS 79 2.854 -4.060 3.791 578 HG3 LYS 79 HG1 LYS 79 3.859 -5.332 4.478 579 HD2 LYS 79 HD2 LYS 79 4.071 -6.244 2.459 580 HD3 LYS 79 HD1 LYS 79 2.321 -6.443 2.362 581 HE2 LYS 79 HE2 LYS 79 3.794 -3.913 1.656 582 HE3 LYS 79 HE1 LYS 79 3.303 -5.135 0.483 583 HZ1 LYS 79 HZ1 LYS 79 1.451 -3.629 2.252 584 HZ2 LYS 79 HZ2 LYS 79 1.005 -4.746 1.063 585 HZ3 LYS 79 HZ3 LYS 79 1.733 -3.284 0.623 586 H ASP 80 HN ASP 80 0.048 -4.679 6.529 587 HA ASP 80 HA ASP 80 -1.707 -6.703 7.249 588 HB2 ASP 80 HB2 ASP 80 -0.510 -5.459 8.926 589 HB3 ASP 80 HB1 ASP 80 -1.264 -3.952 8.419 590 H PHE 81 HN PHE 81 -2.366 -3.551 5.890 591 HA PHE 81 HA PHE 81 -5.162 -3.566 6.368 592 HB2 PHE 81 HB2 PHE 81 -3.847 -1.500 5.914 593 HB3 PHE 81 HB1 PHE 81 -3.648 -2.026 4.242 594 HD1 PHE 81 HD1 PHE 81 -6.220 -1.160 6.777 595 HD2 PHE 81 HD2 PHE 81 -5.257 -1.517 2.650 596 HE1 PHE 81 HE1 PHE 81 -8.357 -0.093 6.189 597 HE2 PHE 81 HE2 PHE 81 -7.393 -0.450 2.056 598 HZ PHE 81 HZ PHE 81 -8.945 0.262 3.827 599 H MET 82 HN MET 82 -3.134 -4.673 3.744 600 HA MET 82 HA MET 82 -5.159 -5.055 1.815 601 HB2 MET 82 HB2 MET 82 -2.658 -6.698 2.051 602 HB3 MET 82 HB1 MET 82 -3.577 -6.342 0.593 603 HG2 MET 82 HG2 MET 82 -2.973 -3.983 0.788 604 HG3 MET 82 HG1 MET 82 -2.045 -4.350 2.242 605 HE1 MET 82 HE1 MET 82 -2.520 -5.222 -1.499 606 HE2 MET 82 HE2 MET 82 -0.879 -4.968 -2.098 607 HE3 MET 82 HE3 MET 82 -1.784 -3.621 -1.390 608 H LEU 83 HN LEU 83 -3.758 -7.270 4.215 609 HA LEU 83 HA LEU 83 -5.587 -9.366 3.457 610 HB2 LEU 83 HB2 LEU 83 -3.598 -9.183 5.729 611 HB3 LEU 83 HB1 LEU 83 -4.562 -10.604 5.389 612 HG LEU 83 HG LEU 83 -3.430 -10.657 3.097 613 HD11 LEU 83 HD11 LEU 83 -1.278 -9.541 2.897 614 HD12 LEU 83 HD12 LEU 83 -1.547 -8.729 4.441 615 HD13 LEU 83 HD13 LEU 83 -2.592 -8.375 3.065 616 HD21 LEU 83 HD21 LEU 83 -1.411 -11.749 3.957 617 HD22 LEU 83 HD22 LEU 83 -2.823 -12.213 4.908 618 HD23 LEU 83 HD23 LEU 83 -1.682 -11.021 5.541 619 H GLY 84 HN GLY 84 -5.189 -7.123 6.146 620 HA2 GLY 84 HA2 GLY 84 -7.891 -7.893 7.075 621 HA3 GLY 84 HA1 GLY 84 -6.642 -7.236 8.125 622 H SER 85 HN SER 85 -8.861 -6.492 5.504 623 HA SER 85 HA SER 85 -8.149 -3.708 5.401 624 HB2 SER 85 HB2 SER 85 -10.533 -5.092 4.157 625 HB3 SER 85 HB1 SER 85 -9.807 -3.561 3.660 626 HG SER 85 HG SER 85 -7.811 -5.062 3.492 627 H GLY 86 HN GLY 86 -8.949 -4.393 8.000 628 HA2 GLY 86 HA2 GLY 86 -10.158 -3.249 9.632 629 HA3 GLY 86 HA1 GLY 86 -11.144 -2.528 8.367 630 H ASP 87 HN ASP 87 -10.536 -5.513 10.125 631 HA ASP 87 HA ASP 87 -13.027 -6.709 9.222 632 HB2 ASP 87 HB2 ASP 87 -11.051 -7.763 11.261 633 HB3 ASP 87 HB1 ASP 87 -12.305 -8.678 10.433 634 H ALA 88 HN ALA 88 -13.083 -4.279 10.861 635 HA ALA 88 HA ALA 88 -14.096 -3.331 12.645 636 HB1 ALA 88 HB1 ALA 88 -15.545 -5.966 12.840 637 HB2 ALA 88 HB2 ALA 88 -16.066 -4.556 11.919 638 HB3 ALA 88 HB3 ALA 88 -15.993 -4.483 13.679 639 H GLY 89 HN GLY 89 -12.083 -3.249 13.693 640 HA2 GLY 89 HA2 GLY 89 -11.933 -4.059 16.298 641 HA3 GLY 89 HA1 GLY 89 -11.217 -5.389 15.396 642 H282 PNS 90 H28A PNS 44 -0.272 16.013 -3.993 643 H281 PNS 90 H28B PNS 44 -0.835 14.513 -3.251 644 H303 PNS 90 H30A PNS 44 -3.339 17.061 -5.522 645 H302 PNS 90 H30B PNS 44 -1.585 17.242 -5.451 646 H301 PNS 90 H30C PNS 44 -2.576 17.697 -4.065 647 H313 PNS 90 H31A PNS 44 -2.117 13.605 -5.082 648 H312 PNS 90 H31B PNS 44 -1.350 14.846 -6.073 649 H311 PNS 90 H31C PNS 44 -3.102 14.654 -6.098 650 H32 PNS 90 H32A PNS 44 -3.621 15.849 -2.617 651 H33 PNS 90 H33A PNS 44 -5.185 16.374 -3.944 652 H36 PNS 90 H36A PNS 44 -5.552 13.692 -3.692 653 H372 PNS 90 H37A PNS 44 -4.386 11.145 -3.513 654 H371 PNS 90 H37B PNS 44 -4.964 11.621 -1.918 655 H382 PNS 90 H38A PNS 44 -6.648 11.546 -4.423 656 H381 PNS 90 H38B PNS 44 -6.600 10.281 -3.201 657 H41 PNS 90 H41A PNS 44 -6.220 12.707 -1.295 658 H422 PNS 90 H42A PNS 44 -8.506 14.281 -1.204 659 H421 PNS 90 H42B PNS 44 -8.836 12.822 -0.262 660 H431 PNS 90 H43A PNS 44 -6.992 13.263 1.189 661 H432 PNS 90 H43B PNS 44 -7.960 14.733 1.079 662 H44 PNS 90 H1 PNS 44 -5.298 15.505 1.160 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 -15.207 1.780 7.724 2 H2 ALA 1 HT2 ALA 1 -14.563 2.281 9.203 3 H3 ALA 1 HT3 ALA 1 -16.190 1.804 9.106 4 HA ALA 1 HA ALA 1 -13.861 0.041 8.622 5 HB1 ALA 1 HB1 ALA 1 -15.692 0.190 11.011 6 HB2 ALA 1 HB2 ALA 1 -14.013 0.727 10.960 7 HB3 ALA 1 HB3 ALA 1 -14.399 -0.982 10.762 8 H MET 2 HN MET 2 -14.353 -2.001 7.964 9 HA MET 2 HA MET 2 -17.210 -2.584 7.549 10 HB2 MET 2 HB2 MET 2 -14.820 -3.354 5.869 11 HB3 MET 2 HB1 MET 2 -16.391 -4.117 5.691 12 HG2 MET 2 HG2 MET 2 -16.243 -2.480 4.012 13 HG3 MET 2 HG1 MET 2 -17.331 -1.832 5.236 14 HE1 MET 2 HE1 MET 2 -17.076 0.602 4.171 15 HE2 MET 2 HE2 MET 2 -16.010 -0.078 2.942 16 HE3 MET 2 HE3 MET 2 -15.518 1.359 3.841 17 H ALA 3 HN ALA 3 -17.944 -4.679 8.091 18 HA ALA 3 HA ALA 3 -16.463 -6.037 10.101 19 HB1 ALA 3 HB1 ALA 3 -18.320 -7.605 10.149 20 HB2 ALA 3 HB2 ALA 3 -18.926 -6.948 8.630 21 HB3 ALA 3 HB3 ALA 3 -18.923 -5.950 10.084 22 H LYS 4 HN LYS 4 -16.473 -6.137 6.793 23 HA LYS 4 HA LYS 4 -14.602 -8.375 6.808 24 HB2 LYS 4 HB2 LYS 4 -16.870 -9.231 6.102 25 HB3 LYS 4 HB1 LYS 4 -16.776 -8.147 4.721 26 HG2 LYS 4 HG2 LYS 4 -14.792 -9.311 3.921 27 HG3 LYS 4 HG1 LYS 4 -14.845 -10.379 5.327 28 HD2 LYS 4 HD2 LYS 4 -17.188 -11.014 4.558 29 HD3 LYS 4 HD1 LYS 4 -16.793 -10.201 3.040 30 HE2 LYS 4 HE2 LYS 4 -16.349 -12.574 2.829 31 HE3 LYS 4 HE1 LYS 4 -14.831 -11.680 2.797 32 HZ1 LYS 4 HZ1 LYS 4 -14.465 -12.240 5.098 33 HZ2 LYS 4 HZ2 LYS 4 -14.707 -13.655 4.197 34 HZ3 LYS 4 HZ3 LYS 4 -15.954 -13.052 5.174 35 H GLY 5 HN GLY 5 -12.791 -7.779 5.796 36 HA2 GLY 5 HA2 GLY 5 -12.792 -5.226 4.394 37 HA3 GLY 5 HA1 GLY 5 -11.378 -6.115 4.938 38 H VAL 6 HN VAL 6 -10.463 -5.693 2.873 39 HA VAL 6 HA VAL 6 -11.642 -6.685 0.471 40 HB VAL 6 HB VAL 6 -8.728 -6.096 0.941 41 HG11 VAL 6 HG11 VAL 6 -10.408 -6.103 -1.558 42 HG12 VAL 6 HG12 VAL 6 -9.139 -7.253 -1.132 43 HG13 VAL 6 HG13 VAL 6 -8.729 -5.571 -1.468 44 HG21 VAL 6 HG21 VAL 6 -10.051 -4.185 1.665 45 HG22 VAL 6 HG22 VAL 6 -10.907 -4.180 0.124 46 HG23 VAL 6 HG23 VAL 6 -9.182 -3.816 0.175 47 H GLY 7 HN GLY 7 -8.548 -7.712 1.933 48 HA2 GLY 7 HA2 GLY 7 -7.875 -9.877 2.526 49 HA3 GLY 7 HA1 GLY 7 -9.431 -10.480 1.963 50 H VAL 8 HN VAL 8 -6.169 -9.699 1.072 51 HA VAL 8 HA VAL 8 -6.709 -10.606 -1.671 52 HB VAL 8 HB VAL 8 -4.892 -9.296 -2.476 53 HG11 VAL 8 HG11 VAL 8 -5.474 -7.033 -1.807 54 HG12 VAL 8 HG12 VAL 8 -6.343 -7.656 -0.408 55 HG13 VAL 8 HG13 VAL 8 -6.914 -8.020 -2.036 56 HG21 VAL 8 HG21 VAL 8 -4.140 -8.813 0.403 57 HG22 VAL 8 HG22 VAL 8 -3.415 -7.989 -0.980 58 HG23 VAL 8 HG23 VAL 8 -3.229 -9.736 -0.800 59 H SER 9 HN SER 9 -5.084 -11.926 -2.695 60 HA SER 9 HA SER 9 -4.023 -13.947 -0.998 61 HB2 SER 9 HB2 SER 9 -3.362 -13.449 -3.908 62 HB3 SER 9 HB1 SER 9 -3.250 -14.975 -3.031 63 HG SER 9 HG SER 9 -5.571 -14.837 -2.757 64 H ASN 10 HN ASN 10 -1.694 -14.600 -1.077 65 HA ASN 10 HA ASN 10 0.091 -12.548 -0.366 66 HB2 ASN 10 HB2 ASN 10 0.603 -14.746 0.385 67 HB3 ASN 10 HB1 ASN 10 0.518 -15.407 -1.245 68 HD21 ASN 10 HD21 ASN 10 2.435 -13.501 0.982 69 HD22 ASN 10 HD22 ASN 10 3.927 -13.642 0.117 70 H GLU 11 HN GLU 11 -0.787 -13.970 -3.381 71 HA GLU 11 HA GLU 11 1.106 -13.077 -5.148 72 HB2 GLU 11 HB2 GLU 11 -0.626 -14.412 -6.001 73 HB3 GLU 11 HB1 GLU 11 -1.877 -13.413 -5.281 74 HG2 GLU 11 HG2 GLU 11 -1.194 -11.620 -6.941 75 HG3 GLU 11 HG1 GLU 11 -0.237 -12.876 -7.732 76 H LYS 12 HN LYS 12 -1.768 -11.194 -4.075 77 HA LYS 12 HA LYS 12 -0.918 -8.857 -5.461 78 HB2 LYS 12 HB2 LYS 12 -2.927 -9.336 -3.284 79 HB3 LYS 12 HB1 LYS 12 -2.486 -7.697 -3.735 80 HG2 LYS 12 HG2 LYS 12 -4.280 -7.968 -5.107 81 HG3 LYS 12 HG1 LYS 12 -3.035 -8.630 -6.170 82 HD2 LYS 12 HD2 LYS 12 -3.586 -10.891 -5.343 83 HD3 LYS 12 HD1 LYS 12 -4.868 -10.179 -4.351 84 HE2 LYS 12 HE2 LYS 12 -6.127 -9.545 -6.241 85 HE3 LYS 12 HE1 LYS 12 -4.781 -9.831 -7.345 86 HZ1 LYS 12 HZ1 LYS 12 -6.081 -11.970 -5.755 87 HZ2 LYS 12 HZ2 LYS 12 -4.955 -12.159 -7.015 88 HZ3 LYS 12 HZ3 LYS 12 -6.519 -11.592 -7.347 89 H LEU 13 HN LEU 13 -0.239 -10.190 -2.314 90 HA LEU 13 HA LEU 13 0.908 -7.815 -1.222 91 HB2 LEU 13 HB2 LEU 13 0.028 -9.946 -0.019 92 HB3 LEU 13 HB1 LEU 13 1.630 -10.596 -0.331 93 HG LEU 13 HG LEU 13 1.835 -7.958 0.840 94 HD11 LEU 13 HD11 LEU 13 0.928 -8.453 3.029 95 HD12 LEU 13 HD12 LEU 13 0.317 -10.003 2.448 96 HD13 LEU 13 HD13 LEU 13 -0.342 -8.497 1.808 97 HD21 LEU 13 HD21 LEU 13 2.671 -10.690 1.804 98 HD22 LEU 13 HD22 LEU 13 3.240 -9.143 2.437 99 HD23 LEU 13 HD23 LEU 13 3.620 -9.615 0.778 100 H ASP 14 HN ASP 14 2.142 -10.378 -3.312 101 HA ASP 14 HA ASP 14 4.849 -9.497 -3.004 102 HB2 ASP 14 HB2 ASP 14 3.390 -11.571 -4.557 103 HB3 ASP 14 HB1 ASP 14 4.881 -10.976 -5.239 104 H ALA 15 HN ALA 15 2.121 -8.797 -5.056 105 HA ALA 15 HA ALA 15 3.666 -7.514 -7.135 106 HB1 ALA 15 HB1 ALA 15 1.568 -7.054 -8.192 107 HB2 ALA 15 HB2 ALA 15 0.686 -7.353 -6.696 108 HB3 ALA 15 HB3 ALA 15 1.478 -8.690 -7.530 109 H VAL 16 HN VAL 16 1.837 -6.536 -4.305 110 HA VAL 16 HA VAL 16 1.679 -3.811 -4.814 111 HB VAL 16 HB VAL 16 0.436 -4.658 -2.968 112 HG11 VAL 16 HG11 VAL 16 3.064 -5.382 -1.668 113 HG12 VAL 16 HG12 VAL 16 1.911 -6.519 -2.366 114 HG13 VAL 16 HG13 VAL 16 1.461 -5.567 -0.951 115 HG21 VAL 16 HG21 VAL 16 1.136 -2.364 -2.721 116 HG22 VAL 16 HG22 VAL 16 2.665 -2.868 -1.995 117 HG23 VAL 16 HG23 VAL 16 1.142 -3.146 -1.140 118 H MET 17 HN MET 17 4.320 -5.740 -3.616 119 HA MET 17 HA MET 17 5.835 -3.572 -2.609 120 HB2 MET 17 HB2 MET 17 6.804 -6.326 -3.421 121 HB3 MET 17 HB1 MET 17 7.661 -5.171 -2.421 122 HG2 MET 17 HG2 MET 17 5.806 -5.277 -0.783 123 HG3 MET 17 HG1 MET 17 5.100 -6.563 -1.750 124 HE1 MET 17 HE1 MET 17 6.189 -8.954 -2.056 125 HE2 MET 17 HE2 MET 17 7.787 -9.378 -1.440 126 HE3 MET 17 HE3 MET 17 7.626 -8.161 -2.704 127 H ARG 18 HN ARG 18 5.557 -5.076 -5.770 128 HA ARG 18 HA ARG 18 7.928 -3.893 -6.802 129 HB2 ARG 18 HB2 ARG 18 7.406 -4.785 -8.869 130 HB3 ARG 18 HB1 ARG 18 6.625 -5.908 -7.771 131 HG2 ARG 18 HG2 ARG 18 4.494 -4.915 -8.179 132 HG3 ARG 18 HG1 ARG 18 5.228 -3.637 -9.153 133 HD2 ARG 18 HD2 ARG 18 6.022 -5.308 -10.751 134 HD3 ARG 18 HD1 ARG 18 5.317 -6.588 -9.771 135 HE ARG 18 HE ARG 18 3.237 -4.890 -10.384 136 HH11 ARG 18 HH11 ARG 18 5.522 -6.878 -12.138 137 HH12 ARG 18 HH12 ARG 18 4.490 -7.059 -13.527 138 HH21 ARG 18 HH21 ARG 18 1.842 -5.169 -12.193 139 HH22 ARG 18 HH22 ARG 18 2.401 -6.112 -13.546 140 H VAL 19 HN VAL 19 4.619 -2.890 -6.410 141 HA VAL 19 HA VAL 19 4.865 -0.635 -8.199 142 HB VAL 19 HB VAL 19 2.720 -1.422 -6.207 143 HG11 VAL 19 HG11 VAL 19 1.341 0.324 -7.323 144 HG12 VAL 19 HG12 VAL 19 2.797 0.888 -8.136 145 HG13 VAL 19 HG13 VAL 19 2.685 0.965 -6.382 146 HG21 VAL 19 HG21 VAL 19 2.772 -1.495 -9.229 147 HG22 VAL 19 HG22 VAL 19 1.419 -1.970 -8.208 148 HG23 VAL 19 HG23 VAL 19 2.920 -2.894 -8.159 149 H VAL 20 HN VAL 20 4.919 -1.307 -4.782 150 HA VAL 20 HA VAL 20 5.217 1.317 -3.839 151 HB VAL 20 HB VAL 20 5.923 -1.394 -2.711 152 HG11 VAL 20 HG11 VAL 20 6.644 -0.327 -0.624 153 HG12 VAL 20 HG12 VAL 20 6.503 1.259 -1.385 154 HG13 VAL 20 HG13 VAL 20 7.709 0.111 -1.962 155 HG21 VAL 20 HG21 VAL 20 4.252 -0.759 -1.026 156 HG22 VAL 20 HG22 VAL 20 3.581 -0.665 -2.653 157 HG23 VAL 20 HG23 VAL 20 4.055 0.808 -1.811 158 H SER 21 HN SER 21 7.661 -1.121 -4.810 159 HA SER 21 HA SER 21 9.879 0.410 -4.018 160 HB2 SER 21 HB2 SER 21 9.480 -1.894 -5.804 161 HB3 SER 21 HB1 SER 21 11.031 -1.076 -5.842 162 HG SER 21 HG SER 21 11.288 -1.534 -3.668 163 H GLU 22 HN GLU 22 8.157 0.248 -7.082 164 HA GLU 22 HA GLU 22 9.885 1.879 -8.565 165 HB2 GLU 22 HB2 GLU 22 6.908 1.466 -8.822 166 HB3 GLU 22 HB1 GLU 22 7.896 2.305 -10.012 167 HG2 GLU 22 HG2 GLU 22 8.267 -0.562 -9.175 168 HG3 GLU 22 HG1 GLU 22 7.421 -0.024 -10.628 169 H GLU 23 HN GLU 23 7.054 2.740 -6.599 170 HA GLU 23 HA GLU 23 7.330 5.517 -7.327 171 HB2 GLU 23 HB2 GLU 23 5.406 4.147 -5.436 172 HB3 GLU 23 HB1 GLU 23 5.349 5.853 -5.832 173 HG2 GLU 23 HG2 GLU 23 4.986 3.550 -7.734 174 HG3 GLU 23 HG1 GLU 23 3.740 4.658 -7.161 175 H SER 24 HN SER 24 8.299 3.522 -4.650 176 HA SER 24 HA SER 24 8.797 5.792 -2.923 177 HB2 SER 24 HB2 SER 24 9.728 4.126 -1.361 178 HB3 SER 24 HB1 SER 24 8.111 3.684 -1.894 179 HG SER 24 HG SER 24 8.922 2.073 -3.102 180 H GLY 25 HN GLY 25 10.680 3.453 -4.805 181 HA2 GLY 25 HA2 GLY 25 12.744 4.045 -5.899 182 HA3 GLY 25 HA1 GLY 25 12.972 5.310 -4.697 183 H ILE 26 HN ILE 26 11.895 2.536 -3.178 184 HA ILE 26 HA ILE 26 14.580 2.047 -2.140 185 HB ILE 26 HB ILE 26 12.130 0.655 -1.113 186 HG12 ILE 26 HG12 ILE 26 12.989 3.388 -0.134 187 HG13 ILE 26 HG11 ILE 26 11.703 3.173 -1.326 188 HG21 ILE 26 HG21 ILE 26 14.673 1.633 0.169 189 HG22 ILE 26 HG22 ILE 26 14.286 -0.031 -0.264 190 HG23 ILE 26 HG23 ILE 26 13.374 0.784 1.007 191 HD11 ILE 26 HD11 ILE 26 10.824 3.455 0.935 192 HD12 ILE 26 HD12 ILE 26 11.730 2.039 1.469 193 HD13 ILE 26 HD13 ILE 26 10.432 1.860 0.288 194 H ALA 27 HN ALA 27 15.709 0.244 -2.569 195 HA ALA 27 HA ALA 27 14.985 -1.596 -4.558 196 HB1 ALA 27 HB1 ALA 27 17.012 -2.007 -2.363 197 HB2 ALA 27 HB2 ALA 27 17.308 -1.050 -3.813 198 HB3 ALA 27 HB3 ALA 27 16.986 -2.779 -3.946 199 H LEU 28 HN LEU 28 14.281 -3.704 -4.490 200 HA LEU 28 HA LEU 28 12.259 -4.348 -2.677 201 HB2 LEU 28 HB2 LEU 28 13.248 -5.413 -5.032 202 HB3 LEU 28 HB1 LEU 28 13.611 -6.660 -3.856 203 HG LEU 28 HG LEU 28 11.545 -7.275 -4.757 204 HD11 LEU 28 HD11 LEU 28 9.926 -7.029 -2.931 205 HD12 LEU 28 HD12 LEU 28 10.950 -5.785 -2.208 206 HD13 LEU 28 HD13 LEU 28 11.540 -7.443 -2.346 207 HD21 LEU 28 HD21 LEU 28 9.645 -5.761 -5.004 208 HD22 LEU 28 HD22 LEU 28 11.043 -5.217 -5.931 209 HD23 LEU 28 HD23 LEU 28 10.631 -4.425 -4.412 210 H GLU 29 HN GLU 29 15.696 -5.117 -2.664 211 HA GLU 29 HA GLU 29 15.526 -7.180 -0.708 212 HB2 GLU 29 HB2 GLU 29 17.953 -5.535 -1.397 213 HB3 GLU 29 HB1 GLU 29 17.907 -7.143 -0.685 214 HG2 GLU 29 HG2 GLU 29 16.896 -6.477 -3.432 215 HG3 GLU 29 HG1 GLU 29 18.491 -7.148 -3.092 216 H GLU 30 HN GLU 30 15.292 -3.835 -0.512 217 HA GLU 30 HA GLU 30 16.174 -3.815 2.291 218 HB2 GLU 30 HB2 GLU 30 15.659 -1.426 0.518 219 HB3 GLU 30 HB1 GLU 30 16.350 -1.430 2.144 220 HG2 GLU 30 HG2 GLU 30 17.605 -2.396 -0.399 221 HG3 GLU 30 HG1 GLU 30 18.121 -1.076 0.647 222 H LEU 31 HN LEU 31 13.463 -4.123 0.474 223 HA LEU 31 HA LEU 31 11.783 -2.304 1.944 224 HB2 LEU 31 HB2 LEU 31 11.373 -2.969 -0.444 225 HB3 LEU 31 HB1 LEU 31 10.957 -4.578 0.122 226 HG LEU 31 HG LEU 31 9.074 -3.647 1.393 227 HD11 LEU 31 HD11 LEU 31 10.027 -1.434 1.827 228 HD12 LEU 31 HD12 LEU 31 8.418 -1.323 1.112 229 HD13 LEU 31 HD13 LEU 31 9.848 -1.026 0.121 230 HD21 LEU 31 HD21 LEU 31 9.123 -2.834 -1.508 231 HD22 LEU 31 HD22 LEU 31 7.677 -3.024 -0.517 232 HD23 LEU 31 HD23 LEU 31 8.691 -4.422 -0.874 233 H THR 32 HN THR 32 11.840 -2.807 4.043 234 HA THR 32 HA THR 32 10.634 -5.377 4.830 235 HB THR 32 HB THR 32 11.969 -5.440 6.825 236 HG1 THR 32 HG1 THR 32 12.894 -3.706 7.666 237 HG21 THR 32 HG21 THR 32 13.787 -4.593 4.551 238 HG22 THR 32 HG22 THR 32 13.197 -6.230 4.857 239 HG23 THR 32 HG23 THR 32 14.288 -5.459 6.005 240 H ASP 33 HN ASP 33 9.509 -5.123 7.037 241 HA ASP 33 HA ASP 33 7.709 -2.925 6.807 242 HB2 ASP 33 HB2 ASP 33 6.668 -3.798 8.889 243 HB3 ASP 33 HB1 ASP 33 6.805 -4.988 7.604 244 H ASP 34 HN ASP 34 10.758 -3.044 8.035 245 HA ASP 34 HA ASP 34 10.456 -1.262 10.258 246 HB2 ASP 34 HB2 ASP 34 12.924 -1.809 8.588 247 HB3 ASP 34 HB1 ASP 34 12.887 -1.039 10.173 248 H SER 35 HN SER 35 10.522 -0.934 6.850 249 HA SER 35 HA SER 35 11.476 1.774 6.759 250 HB2 SER 35 HB2 SER 35 9.860 0.260 4.692 251 HB3 SER 35 HB1 SER 35 10.812 1.717 4.418 252 HG SER 35 HG SER 35 12.356 -0.148 5.559 253 H ASN 36 HN ASN 36 10.263 3.658 6.375 254 HA ASN 36 HA ASN 36 7.414 3.442 7.083 255 HB2 ASN 36 HB2 ASN 36 8.675 4.119 9.079 256 HB3 ASN 36 HB1 ASN 36 9.432 5.433 8.188 257 HD21 ASN 36 HD21 ASN 36 6.106 4.703 7.632 258 HD22 ASN 36 HD22 ASN 36 5.457 6.052 8.500 259 H PHE 37 HN PHE 37 6.204 4.293 5.512 260 HA PHE 37 HA PHE 37 7.254 5.298 3.161 261 HB2 PHE 37 HB2 PHE 37 4.508 5.376 4.363 262 HB3 PHE 37 HB1 PHE 37 4.833 6.222 2.851 263 HD1 PHE 37 HD1 PHE 37 6.206 4.785 1.118 264 HD2 PHE 37 HD2 PHE 37 3.731 3.196 4.189 265 HE1 PHE 37 HE1 PHE 37 6.001 2.704 -0.143 266 HE2 PHE 37 HE2 PHE 37 3.518 1.091 2.929 267 HZ PHE 37 HZ PHE 37 4.656 0.845 0.754 268 H ALA 38 HN ALA 38 5.615 7.136 5.722 269 HA ALA 38 HA ALA 38 6.086 9.658 4.515 270 HB1 ALA 38 HB1 ALA 38 5.412 8.949 7.360 271 HB2 ALA 38 HB2 ALA 38 4.259 9.248 6.057 272 HB3 ALA 38 HB3 ALA 38 5.293 10.555 6.640 273 H ASP 39 HN ASP 39 7.972 7.650 6.633 274 HA ASP 39 HA ASP 39 9.750 9.759 7.455 275 HB2 ASP 39 HB2 ASP 39 9.265 7.802 8.891 276 HB3 ASP 39 HB1 ASP 39 10.079 6.775 7.716 277 H MET 40 HN MET 40 9.506 7.601 4.827 278 HA MET 40 HA MET 40 12.282 7.800 4.083 279 HB2 MET 40 HB2 MET 40 10.894 5.760 3.695 280 HB3 MET 40 HB1 MET 40 9.921 6.675 2.554 281 HG2 MET 40 HG2 MET 40 12.865 6.425 2.179 282 HG3 MET 40 HG1 MET 40 11.789 5.118 1.706 283 HE1 MET 40 HE1 MET 40 12.960 5.426 -0.740 284 HE2 MET 40 HE2 MET 40 13.861 6.836 -0.176 285 HE3 MET 40 HE3 MET 40 12.894 6.933 -1.649 286 H GLY 41 HN GLY 41 9.307 9.433 3.501 287 HA2 GLY 41 HA2 GLY 41 9.579 11.763 2.698 288 HA3 GLY 41 HA1 GLY 41 10.661 11.118 1.471 289 H ILE 42 HN ILE 42 8.017 9.097 2.066 290 HA ILE 42 HA ILE 42 6.880 9.535 -0.501 291 HB ILE 42 HB ILE 42 5.847 8.027 1.910 292 HG12 ILE 42 HG12 ILE 42 7.883 7.178 0.749 293 HG13 ILE 42 HG11 ILE 42 6.527 6.060 0.739 294 HG21 ILE 42 HG21 ILE 42 3.907 8.674 0.685 295 HG22 ILE 42 HG22 ILE 42 4.234 6.974 0.338 296 HG23 ILE 42 HG23 ILE 42 4.657 8.213 -0.845 297 HD11 ILE 42 HD11 ILE 42 7.624 6.043 -1.400 298 HD12 ILE 42 HD12 ILE 42 7.441 7.791 -1.550 299 HD13 ILE 42 HD13 ILE 42 6.018 6.749 -1.572 300 H ASP 43 HN ASP 43 5.917 11.387 -0.990 301 HA ASP 43 HA ASP 43 4.570 13.003 0.993 302 HB2 ASP 43 HB2 ASP 43 4.553 13.360 -2.013 303 HB3 ASP 43 HB1 ASP 43 4.144 14.568 -0.804 304 H SER 44 HN SER 44 2.375 13.976 0.214 305 HA SER 44 HA SER 44 0.330 12.078 0.191 306 HB2 SER 44 HB2 SER 44 -1.043 14.050 -0.716 307 HB3 SER 44 HB1 SER 44 -0.184 14.338 0.806 308 H LEU 45 HN LEU 45 2.102 13.643 -2.361 309 HA LEU 45 HA LEU 45 0.516 12.872 -4.554 310 HB2 LEU 45 HB2 LEU 45 2.335 14.644 -4.473 311 HB3 LEU 45 HB1 LEU 45 3.507 13.340 -4.538 312 HG LEU 45 HG LEU 45 3.039 14.565 -6.697 313 HD11 LEU 45 HD11 LEU 45 3.079 12.543 -8.073 314 HD12 LEU 45 HD12 LEU 45 2.612 11.583 -6.669 315 HD13 LEU 45 HD13 LEU 45 4.167 12.418 -6.692 316 HD21 LEU 45 HD21 LEU 45 0.628 14.764 -6.491 317 HD22 LEU 45 HD22 LEU 45 0.464 13.009 -6.550 318 HD23 LEU 45 HD23 LEU 45 1.057 13.886 -7.960 319 H SER 46 HN SER 46 3.616 11.507 -3.435 320 HA SER 46 HA SER 46 3.687 9.338 -5.169 321 HB2 SER 46 HB2 SER 46 4.829 9.196 -2.391 322 HB3 SER 46 HB1 SER 46 5.524 8.619 -3.907 323 HG SER 46 HG SER 46 6.619 10.446 -3.634 324 H SER 47 HN SER 47 2.414 9.518 -1.854 325 HA SER 47 HA SER 47 1.816 6.763 -1.641 326 HB2 SER 47 HB2 SER 47 0.416 7.483 0.306 327 HB3 SER 47 HB1 SER 47 2.070 8.091 0.347 328 HG SER 47 HG SER 47 1.381 10.088 -0.081 329 H MET 48 HN MET 48 0.080 9.472 -2.963 330 HA MET 48 HA MET 48 -2.460 8.137 -3.084 331 HB2 MET 48 HB2 MET 48 -2.055 10.664 -3.097 332 HB3 MET 48 HB1 MET 48 -1.586 10.473 -4.778 333 HG2 MET 48 HG2 MET 48 -3.919 11.188 -4.557 334 HG3 MET 48 HG1 MET 48 -3.777 9.609 -5.335 335 HE1 MET 48 HE1 MET 48 -7.136 9.310 -3.324 336 HE2 MET 48 HE2 MET 48 -6.374 9.226 -4.914 337 HE3 MET 48 HE3 MET 48 -6.513 10.775 -4.081 338 H VAL 49 HN VAL 49 0.311 8.591 -5.156 339 HA VAL 49 HA VAL 49 -0.828 7.631 -7.554 340 HB VAL 49 HB VAL 49 2.029 7.856 -6.564 341 HG11 VAL 49 HG11 VAL 49 2.801 7.297 -8.793 342 HG12 VAL 49 HG12 VAL 49 1.144 6.993 -9.318 343 HG13 VAL 49 HG13 VAL 49 1.890 5.953 -8.104 344 HG21 VAL 49 HG21 VAL 49 0.516 9.362 -8.714 345 HG22 VAL 49 HG22 VAL 49 2.189 9.643 -8.234 346 HG23 VAL 49 HG23 VAL 49 0.882 9.966 -7.095 347 H ILE 50 HN ILE 50 1.193 6.071 -5.070 348 HA ILE 50 HA ILE 50 1.283 3.518 -6.070 349 HB ILE 50 HB ILE 50 1.000 4.255 -3.159 350 HG12 ILE 50 HG12 ILE 50 3.506 3.965 -4.828 351 HG13 ILE 50 HG11 ILE 50 2.791 5.506 -4.372 352 HG21 ILE 50 HG21 ILE 50 2.275 1.868 -4.483 353 HG22 ILE 50 HG22 ILE 50 0.732 1.872 -3.629 354 HG23 ILE 50 HG23 ILE 50 2.227 2.194 -2.749 355 HD11 ILE 50 HD11 ILE 50 3.827 3.443 -2.454 356 HD12 ILE 50 HD12 ILE 50 3.179 5.027 -2.035 357 HD13 ILE 50 HD13 ILE 50 4.681 4.901 -2.952 358 H GLY 51 HN GLY 51 -1.145 4.831 -3.798 359 HA2 GLY 51 HA2 GLY 51 -2.786 2.552 -3.691 360 HA3 GLY 51 HA1 GLY 51 -3.313 4.194 -3.351 361 H SER 52 HN SER 52 -2.947 5.375 -5.827 362 HA SER 52 HA SER 52 -5.205 4.603 -7.311 363 HB2 SER 52 HB2 SER 52 -3.800 6.824 -7.456 364 HB3 SER 52 HB1 SER 52 -2.891 5.945 -8.690 365 HG SER 52 HG SER 52 -4.500 6.091 -10.025 366 H ARG 53 HN ARG 53 -1.790 3.779 -7.773 367 HA ARG 53 HA ARG 53 -2.191 2.470 -10.238 368 HB2 ARG 53 HB2 ARG 53 0.096 2.333 -8.306 369 HB3 ARG 53 HB1 ARG 53 0.099 1.595 -9.911 370 HG2 ARG 53 HG2 ARG 53 -0.528 3.885 -10.800 371 HG3 ARG 53 HG1 ARG 53 -0.104 4.499 -9.200 372 HD2 ARG 53 HD2 ARG 53 1.883 4.782 -10.288 373 HD3 ARG 53 HD1 ARG 53 2.124 3.191 -9.586 374 HE ARG 53 HE ARG 53 1.040 2.972 -12.206 375 HH11 ARG 53 HH11 ARG 53 3.994 3.845 -10.541 376 HH12 ARG 53 HH12 ARG 53 5.031 3.250 -11.798 377 HH21 ARG 53 HH21 ARG 53 2.427 2.158 -13.866 378 HH22 ARG 53 HH22 ARG 53 4.148 2.305 -13.680 379 H PHE 54 HN PHE 54 -2.593 1.436 -6.957 380 HA PHE 54 HA PHE 54 -2.607 -1.363 -7.278 381 HB2 PHE 54 HB2 PHE 54 -4.299 0.457 -5.541 382 HB3 PHE 54 HB1 PHE 54 -4.402 -1.293 -5.474 383 HD1 PHE 54 HD1 PHE 54 -1.155 -0.953 -6.134 384 HD2 PHE 54 HD2 PHE 54 -3.880 -0.010 -3.018 385 HE1 PHE 54 HE1 PHE 54 0.693 -0.974 -4.525 386 HE2 PHE 54 HE2 PHE 54 -2.031 -0.046 -1.385 387 HZ PHE 54 HZ PHE 54 0.164 -0.556 -2.040 388 H ARG 55 HN ARG 55 -5.021 1.107 -7.903 389 HA ARG 55 HA ARG 55 -7.108 -0.727 -8.573 390 HB2 ARG 55 HB2 ARG 55 -6.927 2.218 -9.249 391 HB3 ARG 55 HB1 ARG 55 -8.386 1.238 -9.121 392 HG2 ARG 55 HG2 ARG 55 -7.932 0.945 -6.713 393 HG3 ARG 55 HG1 ARG 55 -6.532 2.006 -6.875 394 HD2 ARG 55 HD2 ARG 55 -8.315 3.336 -6.049 395 HD3 ARG 55 HD1 ARG 55 -8.094 3.769 -7.744 396 HE ARG 55 HE ARG 55 -10.082 1.729 -7.326 397 HH11 ARG 55 HH11 ARG 55 -9.483 5.167 -7.465 398 HH12 ARG 55 HH12 ARG 55 -11.135 5.575 -7.802 399 HH21 ARG 55 HH21 ARG 55 -12.268 2.249 -7.730 400 HH22 ARG 55 HH22 ARG 55 -12.720 3.919 -7.930 401 H GLU 56 HN GLU 56 -4.516 0.818 -10.242 402 HA GLU 56 HA GLU 56 -5.618 0.518 -12.873 403 HB2 GLU 56 HB2 GLU 56 -2.790 1.084 -11.973 404 HB3 GLU 56 HB1 GLU 56 -3.327 1.110 -13.645 405 HG2 GLU 56 HG2 GLU 56 -4.938 2.913 -12.996 406 HG3 GLU 56 HG1 GLU 56 -4.136 2.957 -11.424 407 H ASP 57 HN ASP 57 -2.803 -0.966 -11.281 408 HA ASP 57 HA ASP 57 -2.616 -2.880 -13.453 409 HB2 ASP 57 HB2 ASP 57 -0.603 -1.756 -12.548 410 HB3 ASP 57 HB1 ASP 57 -0.864 -2.567 -11.007 411 H LEU 58 HN LEU 58 -3.151 -2.975 -9.952 412 HA LEU 58 HA LEU 58 -3.299 -5.871 -10.003 413 HB2 LEU 58 HB2 LEU 58 -3.332 -3.809 -7.818 414 HB3 LEU 58 HB1 LEU 58 -3.844 -5.453 -7.488 415 HG LEU 58 HG LEU 58 -1.641 -6.301 -8.109 416 HD11 LEU 58 HD11 LEU 58 -0.848 -3.422 -8.522 417 HD12 LEU 58 HD12 LEU 58 -1.099 -4.601 -9.808 418 HD13 LEU 58 HD13 LEU 58 0.203 -4.837 -8.643 419 HD21 LEU 58 HD21 LEU 58 -1.513 -4.007 -6.154 420 HD22 LEU 58 HD22 LEU 58 -0.355 -5.335 -6.260 421 HD23 LEU 58 HD23 LEU 58 -2.026 -5.660 -5.796 422 H GLY 59 HN GLY 59 -5.435 -3.157 -9.940 423 HA2 GLY 59 HA2 GLY 59 -7.707 -3.139 -10.394 424 HA3 GLY 59 HA1 GLY 59 -7.694 -4.895 -10.380 425 H LEU 60 HN LEU 60 -6.479 -2.898 -7.786 426 HA LEU 60 HA LEU 60 -8.387 -4.109 -5.952 427 HB2 LEU 60 HB2 LEU 60 -6.126 -2.189 -5.419 428 HB3 LEU 60 HB1 LEU 60 -7.040 -3.061 -4.208 429 HG LEU 60 HG LEU 60 -5.307 -4.384 -6.293 430 HD11 LEU 60 HD11 LEU 60 -4.723 -3.783 -3.398 431 HD12 LEU 60 HD12 LEU 60 -3.958 -3.031 -4.796 432 HD13 LEU 60 HD13 LEU 60 -3.714 -4.749 -4.476 433 HD21 LEU 60 HD21 LEU 60 -6.510 -5.514 -3.768 434 HD22 LEU 60 HD22 LEU 60 -5.618 -6.393 -5.013 435 HD23 LEU 60 HD23 LEU 60 -7.205 -5.719 -5.374 436 H ASP 61 HN ASP 61 -10.358 -3.101 -5.941 437 HA ASP 61 HA ASP 61 -10.510 -0.274 -6.515 438 HB2 ASP 61 HB2 ASP 61 -12.127 -1.997 -7.465 439 HB3 ASP 61 HB1 ASP 61 -12.833 -2.083 -5.851 440 H LEU 62 HN LEU 62 -9.376 0.360 -4.659 441 HA LEU 62 HA LEU 62 -10.330 -0.191 -2.030 442 HB2 LEU 62 HB2 LEU 62 -8.392 1.887 -3.028 443 HB3 LEU 62 HB1 LEU 62 -8.602 1.422 -1.349 444 HG LEU 62 HG LEU 62 -7.720 -0.508 -3.480 445 HD11 LEU 62 HD11 LEU 62 -6.137 1.334 -3.422 446 HD12 LEU 62 HD12 LEU 62 -5.435 -0.120 -2.711 447 HD13 LEU 62 HD13 LEU 62 -6.010 1.183 -1.670 448 HD21 LEU 62 HD21 LEU 62 -8.559 -1.554 -1.468 449 HD22 LEU 62 HD22 LEU 62 -7.527 -0.525 -0.474 450 HD23 LEU 62 HD23 LEU 62 -6.802 -1.724 -1.543 451 H GLY 63 HN GLY 63 -9.821 2.988 -3.495 452 HA2 GLY 63 HA2 GLY 63 -12.324 4.075 -3.491 453 HA3 GLY 63 HA1 GLY 63 -11.779 4.186 -1.823 454 HA PRO 64 HA PRO 64 -9.742 7.537 -4.495 455 HB2 PRO 64 HB2 PRO 64 -11.533 9.542 -4.573 456 HB3 PRO 64 HB1 PRO 64 -11.525 8.240 -5.775 457 HG2 PRO 64 HG2 PRO 64 -13.293 8.616 -3.406 458 HG3 PRO 64 HG1 PRO 64 -13.703 8.021 -5.018 459 HD2 PRO 64 HD2 PRO 64 -13.275 6.427 -2.806 460 HD3 PRO 64 HD1 PRO 64 -13.135 5.878 -4.484 461 H GLU 65 HN GLU 65 -11.229 7.187 -1.528 462 HA GLU 65 HA GLU 65 -10.148 9.694 -0.467 463 HB2 GLU 65 HB2 GLU 65 -12.604 9.037 -0.153 464 HB3 GLU 65 HB1 GLU 65 -12.026 7.777 0.933 465 HG2 GLU 65 HG2 GLU 65 -11.209 9.379 2.487 466 HG3 GLU 65 HG1 GLU 65 -11.453 10.707 1.350 467 H PHE 66 HN PHE 66 -9.164 6.642 -0.937 468 HA PHE 66 HA PHE 66 -7.842 6.263 1.623 469 HB2 PHE 66 HB2 PHE 66 -8.813 4.295 0.580 470 HB3 PHE 66 HB1 PHE 66 -7.922 4.591 -0.901 471 HD1 PHE 66 HD2 PHE 66 -7.500 3.726 2.672 472 HD2 PHE 66 HD1 PHE 66 -5.784 3.663 -1.225 473 HE1 PHE 66 HE2 PHE 66 -5.670 2.304 3.500 474 HE2 PHE 66 HE1 PHE 66 -3.968 2.235 -0.405 475 HZ PHE 66 HZ PHE 66 -3.909 1.508 1.888 476 H SER 67 HN SER 67 -5.896 7.025 2.010 477 HA SER 67 HA SER 67 -3.981 7.278 -0.201 478 HB2 SER 67 HB2 SER 67 -4.422 9.436 1.890 479 HB3 SER 67 HB1 SER 67 -3.295 9.487 0.534 480 HG SER 67 HG SER 67 -5.501 9.027 -0.638 481 H LEU 68 HN LEU 68 -2.052 6.415 0.312 482 HA LEU 68 HA LEU 68 -1.607 5.027 2.686 483 HB2 LEU 68 HB2 LEU 68 0.509 6.148 0.856 484 HB3 LEU 68 HB1 LEU 68 0.732 4.860 2.015 485 HG LEU 68 HG LEU 68 -0.812 4.782 -0.561 486 HD11 LEU 68 HD11 LEU 68 1.513 4.429 -0.863 487 HD12 LEU 68 HD12 LEU 68 0.740 2.840 -0.923 488 HD13 LEU 68 HD13 LEU 68 1.597 3.355 0.534 489 HD21 LEU 68 HD21 LEU 68 -2.131 3.642 1.144 490 HD22 LEU 68 HD22 LEU 68 -0.720 2.690 1.603 491 HD23 LEU 68 HD23 LEU 68 -1.432 2.492 0.003 492 H PHE 69 HN PHE 69 -0.929 8.341 1.840 493 HA PHE 69 HA PHE 69 1.054 8.943 3.701 494 HB2 PHE 69 HB2 PHE 69 0.221 10.341 1.746 495 HB3 PHE 69 HB1 PHE 69 -1.099 10.864 2.788 496 HD1 PHE 69 HD1 PHE 69 2.627 10.574 2.906 497 HD2 PHE 69 HD2 PHE 69 -0.838 12.863 3.845 498 HE1 PHE 69 HE1 PHE 69 4.052 12.356 3.827 499 HE2 PHE 69 HE2 PHE 69 0.579 14.645 4.770 500 HZ PHE 69 HZ PHE 69 3.066 14.399 4.695 501 H ILE 70 HN ILE 70 -2.280 8.304 4.218 502 HA ILE 70 HA ILE 70 -1.964 9.165 7.020 503 HB ILE 70 HB ILE 70 -4.541 9.264 5.408 504 HG12 ILE 70 HG12 ILE 70 -2.866 11.456 6.656 505 HG13 ILE 70 HG11 ILE 70 -3.033 11.139 4.934 506 HG21 ILE 70 HG21 ILE 70 -5.600 10.115 7.415 507 HG22 ILE 70 HG22 ILE 70 -4.090 9.975 8.309 508 HG23 ILE 70 HG23 ILE 70 -4.910 8.522 7.734 509 HD11 ILE 70 HD11 ILE 70 -5.235 12.013 6.788 510 HD12 ILE 70 HD12 ILE 70 -5.413 11.680 5.065 511 HD13 ILE 70 HD13 ILE 70 -4.403 13.022 5.603 512 H ASP 71 HN ASP 71 -3.280 6.781 4.770 513 HA ASP 71 HA ASP 71 -4.355 5.245 7.006 514 HB2 ASP 71 HB2 ASP 71 -4.771 5.029 4.021 515 HB3 ASP 71 HB1 ASP 71 -5.406 3.870 5.175 516 H CYS 72 HN CYS 72 -1.420 5.378 5.673 517 HA CYS 72 HA CYS 72 -0.807 2.659 6.374 518 HB2 CYS 72 HB2 CYS 72 -0.455 3.597 3.521 519 HB3 CYS 72 HB1 CYS 72 0.371 2.195 4.194 520 HG CYS 72 HG CYS 72 -2.812 1.863 4.821 521 H THR 73 HN THR 73 0.597 3.348 7.854 522 HA THR 73 HA THR 73 2.262 5.673 7.356 523 HB THR 73 HB THR 73 3.010 5.208 9.741 524 HG1 THR 73 HG1 THR 73 1.174 3.640 10.632 525 HG21 THR 73 HG21 THR 73 0.899 5.908 10.760 526 HG22 THR 73 HG22 THR 73 0.012 5.416 9.318 527 HG23 THR 73 HG23 THR 73 1.145 6.761 9.239 528 H THR 74 HN THR 74 3.110 2.441 8.682 529 HA THR 74 HA THR 74 5.688 2.590 7.349 530 HB THR 74 HB THR 74 6.237 0.506 8.498 531 HG1 THR 74 HG1 THR 74 4.466 -0.232 10.038 532 HG21 THR 74 HG21 THR 74 4.800 2.417 10.358 533 HG22 THR 74 HG22 THR 74 6.445 2.624 9.760 534 HG23 THR 74 HG23 THR 74 6.055 1.271 10.822 535 H VAL 75 HN VAL 75 6.153 -0.073 6.619 536 HA VAL 75 HA VAL 75 4.697 -0.117 4.120 537 HB VAL 75 HB VAL 75 6.529 -2.342 4.858 538 HG11 VAL 75 HG11 VAL 75 5.519 -2.279 2.652 539 HG12 VAL 75 HG12 VAL 75 7.269 -2.069 2.542 540 HG13 VAL 75 HG13 VAL 75 6.205 -0.676 2.369 541 HG21 VAL 75 HG21 VAL 75 8.518 -0.996 4.312 542 HG22 VAL 75 HG22 VAL 75 7.722 -0.468 5.794 543 HG23 VAL 75 HG23 VAL 75 7.509 0.452 4.303 544 H ARG 76 HN ARG 76 5.062 -1.982 7.041 545 HA ARG 76 HA ARG 76 3.545 -4.223 6.358 546 HB2 ARG 76 HB2 ARG 76 5.091 -3.886 8.337 547 HB3 ARG 76 HB1 ARG 76 3.748 -3.068 9.124 548 HG2 ARG 76 HG2 ARG 76 3.643 -5.266 9.907 549 HG3 ARG 76 HG1 ARG 76 2.417 -5.186 8.641 550 HD2 ARG 76 HD2 ARG 76 3.976 -6.199 7.055 551 HD3 ARG 76 HD1 ARG 76 5.208 -6.273 8.312 552 HE ARG 76 HE ARG 76 2.650 -7.741 8.500 553 HH11 ARG 76 HH11 ARG 76 6.156 -7.598 8.840 554 HH12 ARG 76 HH12 ARG 76 6.289 -9.259 9.328 555 HH21 ARG 76 HH21 ARG 76 2.847 -9.926 9.142 556 HH22 ARG 76 HH22 ARG 76 4.418 -10.579 9.505 557 H ALA 77 HN ALA 77 2.682 -1.027 7.484 558 HA ALA 77 HA ALA 77 0.043 -1.514 8.285 559 HB1 ALA 77 HB1 ALA 77 1.173 1.008 7.062 560 HB2 ALA 77 HB2 ALA 77 1.254 0.567 8.766 561 HB3 ALA 77 HB3 ALA 77 -0.308 0.876 8.010 562 H LEU 78 HN LEU 78 1.446 -0.967 5.118 563 HA LEU 78 HA LEU 78 -1.038 -0.772 3.708 564 HB2 LEU 78 HB2 LEU 78 1.543 -0.197 3.124 565 HB3 LEU 78 HB1 LEU 78 1.388 -1.741 2.321 566 HG LEU 78 HG LEU 78 -0.463 0.571 1.814 567 HD11 LEU 78 HD11 LEU 78 0.888 0.880 -0.258 568 HD12 LEU 78 HD12 LEU 78 2.089 -0.217 0.426 569 HD13 LEU 78 HD13 LEU 78 1.732 1.309 1.229 570 HD21 LEU 78 HD21 LEU 78 -0.900 -0.624 -0.274 571 HD22 LEU 78 HD22 LEU 78 -1.367 -1.553 1.154 572 HD23 LEU 78 HD23 LEU 78 0.122 -1.948 0.285 573 H LYS 79 HN LYS 79 1.402 -3.266 4.175 574 HA LYS 79 HA LYS 79 0.273 -5.427 2.851 575 HB2 LYS 79 HB2 LYS 79 1.780 -5.559 5.464 576 HB3 LYS 79 HB1 LYS 79 1.720 -6.784 4.202 577 HG2 LYS 79 HG2 LYS 79 2.860 -4.045 3.751 578 HG3 LYS 79 HG1 LYS 79 3.842 -5.393 4.319 579 HD2 LYS 79 HD2 LYS 79 3.061 -6.668 2.292 580 HD3 LYS 79 HD1 LYS 79 2.298 -5.180 1.729 581 HE2 LYS 79 HE2 LYS 79 4.405 -5.346 0.644 582 HE3 LYS 79 HE1 LYS 79 4.542 -4.082 1.868 583 HZ1 LYS 79 HZ1 LYS 79 5.810 -5.451 3.240 584 HZ2 LYS 79 HZ2 LYS 79 6.423 -5.777 1.695 585 HZ3 LYS 79 HZ3 LYS 79 5.360 -6.868 2.436 586 H ASP 80 HN ASP 80 -0.148 -4.426 6.218 587 HA ASP 80 HA ASP 80 -1.954 -6.402 7.026 588 HB2 ASP 80 HB2 ASP 80 -0.733 -4.892 8.567 589 HB3 ASP 80 HB1 ASP 80 -1.743 -3.555 8.028 590 H PHE 81 HN PHE 81 -2.549 -3.171 5.749 591 HA PHE 81 HA PHE 81 -5.302 -3.053 6.112 592 HB2 PHE 81 HB2 PHE 81 -3.928 -1.107 5.471 593 HB3 PHE 81 HB1 PHE 81 -3.703 -1.794 3.864 594 HD1 PHE 81 HD1 PHE 81 -6.191 -0.398 6.199 595 HD2 PHE 81 HD2 PHE 81 -5.356 -1.560 2.189 596 HE1 PHE 81 HE1 PHE 81 -8.271 0.683 5.455 597 HE2 PHE 81 HE2 PHE 81 -7.438 -0.480 1.439 598 HZ PHE 81 HZ PHE 81 -8.899 0.643 3.073 599 H MET 82 HN MET 82 -3.453 -4.469 3.479 600 HA MET 82 HA MET 82 -5.446 -4.844 1.587 601 HB2 MET 82 HB2 MET 82 -3.098 -6.591 2.260 602 HB3 MET 82 HB1 MET 82 -4.087 -6.790 0.821 603 HG2 MET 82 HG2 MET 82 -3.493 -4.412 0.208 604 HG3 MET 82 HG1 MET 82 -2.331 -4.460 1.537 605 HE1 MET 82 HE1 MET 82 -2.567 -4.702 -2.111 606 HE2 MET 82 HE2 MET 82 -0.839 -5.009 -2.315 607 HE3 MET 82 HE3 MET 82 -1.385 -3.720 -1.241 608 H LEU 83 HN LEU 83 -4.436 -7.148 4.100 609 HA LEU 83 HA LEU 83 -6.638 -8.900 3.503 610 HB2 LEU 83 HB2 LEU 83 -4.629 -8.918 5.768 611 HB3 LEU 83 HB1 LEU 83 -5.834 -10.160 5.519 612 HG LEU 83 HG LEU 83 -4.725 -10.616 3.273 613 HD11 LEU 83 HD11 LEU 83 -2.542 -8.914 4.468 614 HD12 LEU 83 HD12 LEU 83 -3.512 -8.511 3.051 615 HD13 LEU 83 HD13 LEU 83 -2.414 -9.889 3.004 616 HD21 LEU 83 HD21 LEU 83 -2.883 -11.913 4.277 617 HD22 LEU 83 HD22 LEU 83 -4.384 -12.091 5.188 618 HD23 LEU 83 HD23 LEU 83 -3.107 -11.034 5.789 619 H GLY 84 HN GLY 84 -5.808 -6.502 5.917 620 HA2 GLY 84 HA2 GLY 84 -7.567 -5.217 6.985 621 HA3 GLY 84 HA1 GLY 84 -8.573 -6.661 6.943 622 H SER 85 HN SER 85 -7.700 -4.922 9.202 623 HA SER 85 HA SER 85 -5.858 -6.484 10.756 624 HB2 SER 85 HB2 SER 85 -7.695 -4.247 11.645 625 HB3 SER 85 HB1 SER 85 -6.278 -4.850 12.504 626 HG SER 85 HG SER 85 -5.285 -4.243 10.227 627 H GLY 86 HN GLY 86 -8.141 -7.980 9.869 628 HA2 GLY 86 HA2 GLY 86 -9.820 -8.295 12.252 629 HA3 GLY 86 HA1 GLY 86 -10.096 -9.040 10.681 630 H ASP 87 HN ASP 87 -7.308 -8.992 12.864 631 HA ASP 87 HA ASP 87 -6.742 -11.745 12.348 632 HB2 ASP 87 HB2 ASP 87 -4.941 -10.141 12.763 633 HB3 ASP 87 HB1 ASP 87 -5.563 -9.842 14.382 634 H ALA 88 HN ALA 88 -8.055 -13.231 13.110 635 HA ALA 88 HA ALA 88 -8.365 -13.572 15.945 636 HB1 ALA 88 HB1 ALA 88 -10.216 -12.033 15.460 637 HB2 ALA 88 HB2 ALA 88 -10.797 -13.621 15.956 638 HB3 ALA 88 HB3 ALA 88 -10.831 -13.161 14.254 639 H GLY 89 HN GLY 89 -9.725 -14.571 12.812 640 HA2 GLY 89 HA2 GLY 89 -9.375 -16.642 11.769 641 HA3 GLY 89 HA1 GLY 89 -8.742 -17.275 13.282 642 H282 PNS 90 H28A PNS 44 -0.461 15.434 -4.002 643 H281 PNS 90 H28B PNS 44 -0.759 14.033 -2.976 644 H303 PNS 90 H30A PNS 44 -2.166 16.405 -5.334 645 H302 PNS 90 H30B PNS 44 -3.168 16.689 -3.913 646 H301 PNS 90 H30C PNS 44 -3.831 15.820 -5.300 647 H313 PNS 90 H31A PNS 44 -1.774 12.762 -4.789 648 H312 PNS 90 H31B PNS 44 -1.418 14.093 -5.890 649 H311 PNS 90 H31C PNS 44 -3.060 13.461 -5.776 650 H32 PNS 90 H32A PNS 44 -3.227 13.103 -2.831 651 H33 PNS 90 H33A PNS 44 -2.922 15.421 -1.863 652 H36 PNS 90 H36A PNS 44 -5.826 14.683 -2.281 653 H372 PNS 90 H37A PNS 44 -7.423 14.966 -4.514 654 H371 PNS 90 H37B PNS 44 -7.535 13.269 -4.046 655 H382 PNS 90 H38A PNS 44 -8.417 13.845 -1.898 656 H381 PNS 90 H38B PNS 44 -8.045 15.549 -2.143 657 H41 PNS 90 H41A PNS 44 -8.948 14.915 -5.034 658 H422 PNS 90 H42A PNS 44 -11.762 14.492 -4.997 659 H421 PNS 90 H42B PNS 44 -11.364 16.204 -5.120 660 H431 PNS 90 H43A PNS 44 -10.593 14.000 -7.014 661 H432 PNS 90 H43B PNS 44 -9.897 15.615 -7.072 662 H44 PNS 90 H1 PNS 44 -12.276 16.915 -7.656
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