NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
476565 | 2kos | 16528 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 11.928 7.414 -4.388 2 H2 ALA 1 HT2 ALA 1 10.604 7.211 -3.366 3 H3 ALA 1 HT3 ALA 1 11.294 8.747 -3.537 4 HA ALA 1 HA ALA 1 10.653 8.694 -5.896 5 HB1 ALA 1 HB1 ALA 1 8.932 7.099 -6.550 6 HB2 ALA 1 HB2 ALA 1 9.042 6.321 -4.971 7 HB3 ALA 1 HB3 ALA 1 10.416 6.268 -6.077 8 H ALA 2 HN ALA 2 8.957 8.127 -2.799 9 HA ALA 2 HA ALA 2 7.471 10.561 -3.192 10 HB1 ALA 2 HB1 ALA 2 6.182 7.852 -2.787 11 HB2 ALA 2 HB2 ALA 2 6.030 8.870 -4.217 12 HB3 ALA 2 HB3 ALA 2 5.338 9.393 -2.686 13 H THR 3 HN THR 3 6.665 11.308 -1.037 14 HA THR 3 HA THR 3 8.109 9.978 1.105 15 HB THR 3 HB THR 3 6.558 12.550 1.532 16 HG1 THR 3 HG1 THR 3 7.646 12.879 -0.403 17 HG21 THR 3 HG21 THR 3 8.458 13.110 2.968 18 HG22 THR 3 HG22 THR 3 9.324 11.686 2.423 19 HG23 THR 3 HG23 THR 3 7.893 11.505 3.425 20 H GLN 4 HN GLN 4 6.347 10.678 3.326 21 HA GLN 4 HA GLN 4 5.030 8.224 3.278 22 HB2 GLN 4 HB2 GLN 4 4.103 8.771 5.442 23 HB3 GLN 4 HB1 GLN 4 5.803 9.185 5.358 24 HG2 GLN 4 HG2 GLN 4 5.225 11.536 5.089 25 HG3 GLN 4 HG1 GLN 4 3.511 11.125 5.126 26 HE21 GLN 4 HE21 GLN 4 3.049 12.296 6.946 27 HE22 GLN 4 HE22 GLN 4 3.652 11.884 8.512 28 H GLU 5 HN GLU 5 3.687 11.452 2.771 29 HA GLU 5 HA GLU 5 1.007 10.481 2.757 30 HB2 GLU 5 HB2 GLU 5 0.386 12.734 2.048 31 HB3 GLU 5 HB1 GLU 5 1.490 12.814 3.401 32 HG2 GLU 5 HG2 GLU 5 2.424 13.169 0.557 33 HG3 GLU 5 HG1 GLU 5 1.776 14.502 1.499 34 H GLU 6 HN GLU 6 3.502 11.095 0.510 35 HA GLU 6 HA GLU 6 1.894 10.961 -1.832 36 HB2 GLU 6 HB2 GLU 6 4.859 10.757 -1.441 37 HB3 GLU 6 HB1 GLU 6 4.049 10.970 -2.994 38 HG2 GLU 6 HG2 GLU 6 3.263 13.112 -2.350 39 HG3 GLU 6 HG1 GLU 6 3.826 12.877 -0.695 40 H ILE 7 HN ILE 7 3.833 8.696 0.032 41 HA ILE 7 HA ILE 7 3.796 6.570 -1.718 42 HB ILE 7 HB ILE 7 3.636 6.481 1.317 43 HG12 ILE 7 HG12 ILE 7 5.715 7.500 0.448 44 HG13 ILE 7 HG11 ILE 7 6.033 5.971 1.256 45 HG21 ILE 7 HG21 ILE 7 4.236 4.217 -0.585 46 HG22 ILE 7 HG22 ILE 7 2.802 4.382 0.427 47 HG23 ILE 7 HG23 ILE 7 4.384 4.132 1.170 48 HD11 ILE 7 HD11 ILE 7 6.251 4.872 -0.903 49 HD12 ILE 7 HD12 ILE 7 7.366 6.233 -0.769 50 HD13 ILE 7 HD13 ILE 7 5.883 6.388 -1.719 51 H VAL 8 HN VAL 8 1.643 7.399 0.991 52 HA VAL 8 HA VAL 8 -0.383 5.526 0.701 53 HB VAL 8 HB VAL 8 -0.565 8.396 1.692 54 HG11 VAL 8 HG11 VAL 8 -2.770 7.508 1.150 55 HG12 VAL 8 HG12 VAL 8 -2.559 7.667 2.895 56 HG13 VAL 8 HG13 VAL 8 -2.439 6.081 2.130 57 HG21 VAL 8 HG21 VAL 8 1.044 7.042 2.921 58 HG22 VAL 8 HG22 VAL 8 -0.178 5.799 3.170 59 HG23 VAL 8 HG23 VAL 8 -0.374 7.393 3.909 60 H ALA 9 HN ALA 9 -0.202 8.796 -0.693 61 HA ALA 9 HA ALA 9 -2.558 8.747 -2.148 62 HB1 ALA 9 HB1 ALA 9 0.021 10.116 -2.876 63 HB2 ALA 9 HB2 ALA 9 -1.215 10.759 -1.791 64 HB3 ALA 9 HB3 ALA 9 -1.578 10.525 -3.502 65 H GLY 10 HN GLY 10 0.670 7.584 -3.075 66 HA2 GLY 10 HA2 GLY 10 0.018 6.957 -5.762 67 HA3 GLY 10 HA1 GLY 10 1.382 6.311 -4.849 68 H LEU 11 HN LEU 11 0.027 5.114 -2.774 69 HA LEU 11 HA LEU 11 -0.659 2.571 -3.691 70 HB2 LEU 11 HB2 LEU 11 -1.482 3.992 -1.163 71 HB3 LEU 11 HB1 LEU 11 -1.731 2.285 -1.450 72 HG LEU 11 HG LEU 11 0.988 3.606 -1.321 73 HD11 LEU 11 HD11 LEU 11 -0.541 2.054 0.759 74 HD12 LEU 11 HD12 LEU 11 -0.143 3.767 0.831 75 HD13 LEU 11 HD13 LEU 11 1.142 2.561 0.903 76 HD21 LEU 11 HD21 LEU 11 1.799 1.320 -1.086 77 HD22 LEU 11 HD22 LEU 11 0.914 1.503 -2.604 78 HD23 LEU 11 HD23 LEU 11 0.156 0.707 -1.223 79 H ALA 12 HN ALA 12 -2.720 5.251 -2.709 80 HA ALA 12 HA ALA 12 -5.172 3.959 -3.006 81 HB1 ALA 12 HB1 ALA 12 -4.851 5.982 -1.709 82 HB2 ALA 12 HB2 ALA 12 -6.198 6.073 -2.853 83 HB3 ALA 12 HB3 ALA 12 -4.675 6.906 -3.215 84 H GLU 13 HN GLU 13 -3.182 5.523 -5.407 85 HA GLU 13 HA GLU 13 -5.123 5.881 -7.411 86 HB2 GLU 13 HB2 GLU 13 -2.201 5.155 -7.698 87 HB3 GLU 13 HB1 GLU 13 -3.232 5.705 -9.007 88 HG2 GLU 13 HG2 GLU 13 -2.548 7.301 -6.554 89 HG3 GLU 13 HG1 GLU 13 -1.760 7.458 -8.122 90 H ILE 14 HN ILE 14 -3.128 3.117 -6.599 91 HA ILE 14 HA ILE 14 -4.352 1.544 -8.637 92 HB ILE 14 HB ILE 14 -2.602 0.593 -6.324 93 HG12 ILE 14 HG12 ILE 14 -0.936 0.150 -8.238 94 HG13 ILE 14 HG11 ILE 14 -1.954 1.177 -9.227 95 HG21 ILE 14 HG21 ILE 14 -3.549 -0.867 -8.764 96 HG22 ILE 14 HG22 ILE 14 -4.069 -1.152 -7.104 97 HG23 ILE 14 HG23 ILE 14 -2.396 -1.497 -7.582 98 HD11 ILE 14 HD11 ILE 14 -0.479 1.988 -6.733 99 HD12 ILE 14 HD12 ILE 14 -1.515 3.044 -7.694 100 HD13 ILE 14 HD13 ILE 14 -0.033 2.379 -8.391 101 H VAL 15 HN VAL 15 -4.764 1.863 -5.130 102 HA VAL 15 HA VAL 15 -6.604 -0.254 -4.887 103 HB VAL 15 HB VAL 15 -6.575 2.200 -3.093 104 HG11 VAL 15 HG11 VAL 15 -7.439 0.668 -1.377 105 HG12 VAL 15 HG12 VAL 15 -7.492 -0.632 -2.571 106 HG13 VAL 15 HG13 VAL 15 -8.524 0.785 -2.763 107 HG21 VAL 15 HG21 VAL 15 -4.974 -0.345 -2.832 108 HG22 VAL 15 HG22 VAL 15 -5.038 0.954 -1.645 109 HG23 VAL 15 HG23 VAL 15 -4.334 1.244 -3.239 110 H ASN 16 HN ASN 16 -7.052 2.998 -5.977 111 HA ASN 16 HA ASN 16 -9.887 3.027 -5.871 112 HB2 ASN 16 HB2 ASN 16 -8.749 5.144 -6.051 113 HB3 ASN 16 HB1 ASN 16 -7.937 4.646 -7.528 114 HD21 ASN 16 HD21 ASN 16 -10.959 5.759 -6.141 115 HD22 ASN 16 HD22 ASN 16 -11.716 6.119 -7.645 116 H GLU 17 HN GLU 17 -7.606 1.968 -8.360 117 HA GLU 17 HA GLU 17 -9.824 1.471 -10.106 118 HB2 GLU 17 HB2 GLU 17 -8.142 0.508 -11.685 119 HB3 GLU 17 HB1 GLU 17 -7.818 2.167 -11.220 120 HG2 GLU 17 HG2 GLU 17 -6.112 1.371 -9.651 121 HG3 GLU 17 HG1 GLU 17 -6.445 -0.286 -10.148 122 H ILE 18 HN ILE 18 -8.031 -0.357 -7.788 123 HA ILE 18 HA ILE 18 -8.945 -2.917 -8.769 124 HB ILE 18 HB ILE 18 -7.713 -2.125 -6.121 125 HG12 ILE 18 HG12 ILE 18 -6.230 -1.745 -7.983 126 HG13 ILE 18 HG11 ILE 18 -5.660 -3.120 -7.037 127 HG21 ILE 18 HG21 ILE 18 -7.240 -4.510 -5.803 128 HG22 ILE 18 HG22 ILE 18 -8.190 -4.884 -7.248 129 HG23 ILE 18 HG23 ILE 18 -8.965 -4.151 -5.834 130 HD11 ILE 18 HD11 ILE 18 -5.436 -3.550 -9.413 131 HD12 ILE 18 HD12 ILE 18 -7.163 -3.239 -9.633 132 HD13 ILE 18 HD13 ILE 18 -6.632 -4.632 -8.689 133 H ALA 19 HN ALA 19 -9.666 -1.008 -5.834 134 HA ALA 19 HA ALA 19 -12.102 -2.588 -5.558 135 HB1 ALA 19 HB1 ALA 19 -10.725 -0.844 -3.539 136 HB2 ALA 19 HB2 ALA 19 -10.544 -2.589 -3.683 137 HB3 ALA 19 HB3 ALA 19 -12.111 -1.898 -3.238 138 H GLY 20 HN GLY 20 -10.989 0.717 -5.239 139 HA2 GLY 20 HA2 GLY 20 -12.276 2.442 -6.432 140 HA3 GLY 20 HA1 GLY 20 -13.720 1.525 -6.021 141 H ILE 21 HN ILE 21 -11.017 3.187 -4.536 142 HA ILE 21 HA ILE 21 -12.859 4.099 -2.473 143 HB ILE 21 HB ILE 21 -10.685 4.582 -1.156 144 HG12 ILE 21 HG12 ILE 21 -8.881 2.823 -1.584 145 HG13 ILE 21 HG11 ILE 21 -9.628 2.552 -3.140 146 HG21 ILE 21 HG21 ILE 21 -10.673 2.363 -0.158 147 HG22 ILE 21 HG22 ILE 21 -11.657 1.771 -1.500 148 HG23 ILE 21 HG23 ILE 21 -12.291 3.011 -0.413 149 HD11 ILE 21 HD11 ILE 21 -9.142 4.870 -3.767 150 HD12 ILE 21 HD12 ILE 21 -7.682 3.985 -3.330 151 HD13 ILE 21 HD13 ILE 21 -8.396 5.129 -2.191 152 HA PRO 22 HA PRO 22 -12.186 8.183 -3.960 153 HB2 PRO 22 HB2 PRO 22 -12.191 9.170 -1.184 154 HB3 PRO 22 HB1 PRO 22 -13.331 9.514 -2.487 155 HG2 PRO 22 HG2 PRO 22 -13.990 7.976 -0.373 156 HG3 PRO 22 HG1 PRO 22 -14.649 7.694 -1.994 157 HD2 PRO 22 HD2 PRO 22 -12.470 6.250 -0.552 158 HD3 PRO 22 HD1 PRO 22 -13.744 5.607 -1.610 159 H VAL 23 HN VAL 23 -10.328 9.201 -4.467 160 HA VAL 23 HA VAL 23 -7.952 8.473 -3.015 161 HB VAL 23 HB VAL 23 -6.684 9.665 -4.787 162 HG11 VAL 23 HG11 VAL 23 -8.822 7.754 -5.677 163 HG12 VAL 23 HG12 VAL 23 -7.279 7.326 -4.957 164 HG13 VAL 23 HG13 VAL 23 -7.325 8.071 -6.570 165 HG21 VAL 23 HG21 VAL 23 -7.897 10.495 -6.768 166 HG22 VAL 23 HG22 VAL 23 -8.337 11.417 -5.329 167 HG23 VAL 23 HG23 VAL 23 -9.433 10.184 -5.959 168 H GLU 24 HN GLU 24 -9.807 10.126 -1.777 169 HA GLU 24 HA GLU 24 -8.061 12.288 -0.797 170 HB2 GLU 24 HB2 GLU 24 -10.127 13.553 -0.347 171 HB3 GLU 24 HB1 GLU 24 -9.947 13.213 -2.066 172 HG2 GLU 24 HG2 GLU 24 -11.497 11.322 -1.838 173 HG3 GLU 24 HG1 GLU 24 -11.709 11.726 -0.138 174 H ASP 25 HN ASP 25 -9.479 9.352 -0.298 175 HA ASP 25 HA ASP 25 -10.463 9.775 2.413 176 HB2 ASP 25 HB2 ASP 25 -11.661 8.377 0.616 177 HB3 ASP 25 HB1 ASP 25 -10.344 7.263 0.797 178 H VAL 26 HN VAL 26 -8.217 7.847 0.560 179 HA VAL 26 HA VAL 26 -7.098 6.491 2.776 180 HB VAL 26 HB VAL 26 -5.972 6.799 -0.023 181 HG11 VAL 26 HG11 VAL 26 -4.355 5.918 1.583 182 HG12 VAL 26 HG12 VAL 26 -4.852 4.670 0.437 183 HG13 VAL 26 HG13 VAL 26 -5.510 4.676 2.075 184 HG21 VAL 26 HG21 VAL 26 -7.114 4.695 -0.533 185 HG22 VAL 26 HG22 VAL 26 -8.260 5.963 -0.095 186 HG23 VAL 26 HG23 VAL 26 -7.843 4.705 1.069 187 H LYS 27 HN LYS 27 -6.369 7.906 4.189 188 HA LYS 27 HA LYS 27 -4.095 9.617 3.477 189 HB2 LYS 27 HB2 LYS 27 -6.018 9.740 5.805 190 HB3 LYS 27 HB1 LYS 27 -4.649 10.813 5.574 191 HG2 LYS 27 HG2 LYS 27 -5.670 11.690 3.544 192 HG3 LYS 27 HG1 LYS 27 -7.036 10.591 3.757 193 HD2 LYS 27 HD2 LYS 27 -7.546 11.625 5.896 194 HD3 LYS 27 HD1 LYS 27 -6.168 12.705 5.708 195 HE2 LYS 27 HE2 LYS 27 -7.205 13.677 3.721 196 HE3 LYS 27 HE1 LYS 27 -8.571 12.578 3.899 197 HZ1 LYS 27 HZ1 LYS 27 -9.076 13.559 6.016 198 HZ2 LYS 27 HZ2 LYS 27 -9.027 14.779 4.835 199 HZ3 LYS 27 HZ3 LYS 27 -7.735 14.583 5.907 200 H LEU 28 HN LEU 28 -3.109 9.842 6.134 201 HA LEU 28 HA LEU 28 -1.651 7.407 6.258 202 HB2 LEU 28 HB2 LEU 28 -1.643 9.853 7.999 203 HB3 LEU 28 HB1 LEU 28 -0.737 8.434 8.451 204 HG LEU 28 HG LEU 28 0.713 10.067 7.438 205 HD11 LEU 28 HD11 LEU 28 0.303 7.702 5.642 206 HD12 LEU 28 HD12 LEU 28 1.297 7.775 7.097 207 HD13 LEU 28 HD13 LEU 28 1.738 8.723 5.680 208 HD21 LEU 28 HD21 LEU 28 0.515 10.731 5.079 209 HD22 LEU 28 HD22 LEU 28 -0.879 11.263 6.022 210 HD23 LEU 28 HD23 LEU 28 -1.011 9.854 4.967 211 H ASP 29 HN ASP 29 -4.404 8.564 8.125 212 HA ASP 29 HA ASP 29 -4.123 6.286 9.915 213 HB2 ASP 29 HB2 ASP 29 -4.827 8.442 10.907 214 HB3 ASP 29 HB1 ASP 29 -6.267 8.432 9.898 215 H LYS 30 HN LYS 30 -4.224 5.050 7.959 216 HA LYS 30 HA LYS 30 -6.907 3.916 7.555 217 HB2 LYS 30 HB2 LYS 30 -4.960 4.686 5.363 218 HB3 LYS 30 HB1 LYS 30 -6.380 3.676 5.120 219 HG2 LYS 30 HG2 LYS 30 -6.524 6.403 6.269 220 HG3 LYS 30 HG1 LYS 30 -6.564 6.134 4.517 221 HD2 LYS 30 HD2 LYS 30 -8.553 4.863 4.677 222 HD3 LYS 30 HD1 LYS 30 -8.416 4.747 6.431 223 HE2 LYS 30 HE2 LYS 30 -8.883 7.077 6.666 224 HE3 LYS 30 HE1 LYS 30 -8.856 7.300 4.913 225 HZ1 LYS 30 HZ1 LYS 30 -10.785 6.031 4.672 226 HZ2 LYS 30 HZ2 LYS 30 -11.132 7.121 5.898 227 HZ3 LYS 30 HZ3 LYS 30 -10.763 5.483 6.274 228 H SER 31 HN SER 31 -6.746 1.766 6.588 229 HA SER 31 HA SER 31 -4.195 0.462 6.568 230 HB2 SER 31 HB2 SER 31 -4.949 0.039 8.817 231 HB3 SER 31 HB1 SER 31 -6.556 -0.448 8.267 232 HG SER 31 HG SER 31 -5.679 -2.427 8.201 233 H PHE 32 HN PHE 32 -4.676 -1.830 5.493 234 HA PHE 32 HA PHE 32 -6.067 -0.939 3.128 235 HB2 PHE 32 HB2 PHE 32 -4.350 -3.356 3.662 236 HB3 PHE 32 HB1 PHE 32 -5.015 -2.907 2.097 237 HD1 PHE 32 HD1 PHE 32 -2.648 -1.890 4.742 238 HD2 PHE 32 HD2 PHE 32 -3.963 -1.278 0.745 239 HE1 PHE 32 HE1 PHE 32 -0.662 -0.522 4.309 240 HE2 PHE 32 HE2 PHE 32 -1.969 0.095 0.302 241 HZ PHE 32 HZ PHE 32 -0.310 0.467 2.101 242 H THR 33 HN THR 33 -6.017 -4.011 4.872 243 HA THR 33 HA THR 33 -8.627 -4.369 3.761 244 HB THR 33 HB THR 33 -8.434 -6.584 4.767 245 HG1 THR 33 HG1 THR 33 -5.619 -6.129 4.934 246 HG21 THR 33 HG21 THR 33 -6.331 -5.761 2.752 247 HG22 THR 33 HG22 THR 33 -7.995 -6.229 2.400 248 HG23 THR 33 HG23 THR 33 -6.853 -7.426 3.013 249 H ASP 34 HN ASP 34 -8.426 -2.447 5.702 250 HA ASP 34 HA ASP 34 -10.247 -3.501 7.765 251 HB2 ASP 34 HB2 ASP 34 -7.949 -1.646 8.413 252 HB3 ASP 34 HB1 ASP 34 -9.168 -2.200 9.538 253 H ASP 35 HN ASP 35 -8.654 -0.602 6.424 254 HA ASP 35 HA ASP 35 -11.091 0.906 7.097 255 HB2 ASP 35 HB2 ASP 35 -8.578 1.447 7.916 256 HB3 ASP 35 HB1 ASP 35 -8.584 2.327 6.400 257 H LEU 36 HN LEU 36 -9.873 -0.655 4.511 258 HA LEU 36 HA LEU 36 -10.697 1.497 2.696 259 HB2 LEU 36 HB2 LEU 36 -8.977 -0.908 2.035 260 HB3 LEU 36 HB1 LEU 36 -9.453 0.349 0.917 261 HG LEU 36 HG LEU 36 -7.564 0.607 3.243 262 HD11 LEU 36 HD11 LEU 36 -6.598 -0.464 1.309 263 HD12 LEU 36 HD12 LEU 36 -5.926 1.152 1.520 264 HD13 LEU 36 HD13 LEU 36 -7.140 0.859 0.276 265 HD21 LEU 36 HD21 LEU 36 -8.543 2.730 1.351 266 HD22 LEU 36 HD22 LEU 36 -7.257 2.920 2.556 267 HD23 LEU 36 HD23 LEU 36 -8.918 2.590 3.071 268 H ASP 37 HN ASP 37 -11.169 -0.112 0.478 269 HA ASP 37 HA ASP 37 -13.798 -1.060 1.136 270 HB2 ASP 37 HB2 ASP 37 -13.198 0.121 -1.000 271 HB3 ASP 37 HB1 ASP 37 -12.308 -1.312 -1.489 272 H VAL 38 HN VAL 38 -10.796 -2.404 1.268 273 HA VAL 38 HA VAL 38 -9.948 -4.387 1.746 274 HB VAL 38 HB VAL 38 -12.819 -5.179 2.229 275 HG11 VAL 38 HG11 VAL 38 -11.390 -7.182 1.955 276 HG12 VAL 38 HG12 VAL 38 -11.886 -7.016 3.640 277 HG13 VAL 38 HG13 VAL 38 -10.258 -6.545 3.148 278 HG21 VAL 38 HG21 VAL 38 -12.146 -3.345 3.631 279 HG22 VAL 38 HG22 VAL 38 -10.673 -4.180 4.089 280 HG23 VAL 38 HG23 VAL 38 -12.241 -4.801 4.630 281 H ASP 39 HN ASP 39 -9.329 -4.280 -0.394 282 HA ASP 39 HA ASP 39 -10.415 -5.561 -2.592 283 HB2 ASP 39 HB2 ASP 39 -7.483 -5.443 -1.876 284 HB3 ASP 39 HB1 ASP 39 -8.204 -5.404 -3.478 285 H SER 40 HN SER 40 -8.699 -6.661 0.147 286 HA SER 40 HA SER 40 -7.919 -8.536 0.969 287 HB2 SER 40 HB2 SER 40 -10.059 -9.273 1.391 288 HB3 SER 40 HB1 SER 40 -10.444 -9.618 -0.336 289 H LEU 41 HN LEU 41 -8.913 -10.548 -1.625 290 HA LEU 41 HA LEU 41 -6.203 -11.373 -1.878 291 HB2 LEU 41 HB2 LEU 41 -8.588 -12.168 -3.558 292 HB3 LEU 41 HB1 LEU 41 -6.987 -12.813 -3.819 293 HG LEU 41 HG LEU 41 -8.151 -14.450 -2.652 294 HD11 LEU 41 HD11 LEU 41 -5.929 -14.188 -1.829 295 HD12 LEU 41 HD12 LEU 41 -7.005 -14.675 -0.515 296 HD13 LEU 41 HD13 LEU 41 -6.470 -13.000 -0.643 297 HD21 LEU 41 HD21 LEU 41 -9.361 -14.091 -0.556 298 HD22 LEU 41 HD22 LEU 41 -10.043 -13.157 -1.887 299 HD23 LEU 41 HD23 LEU 41 -9.038 -12.363 -0.674 300 H SER 42 HN SER 42 -8.289 -9.240 -3.574 301 HA SER 42 HA SER 42 -6.697 -8.970 -5.892 302 HB2 SER 42 HB2 SER 42 -8.830 -7.164 -4.763 303 HB3 SER 42 HB1 SER 42 -8.199 -7.118 -6.413 304 HG SER 42 HG SER 42 -10.125 -8.288 -6.271 305 H MET 43 HN MET 43 -6.320 -7.870 -2.708 306 HA MET 43 HA MET 43 -5.087 -5.352 -3.240 307 HB2 MET 43 HB2 MET 43 -5.928 -6.311 -0.961 308 HB3 MET 43 HB1 MET 43 -4.324 -7.030 -0.877 309 HG2 MET 43 HG2 MET 43 -3.454 -4.669 -1.350 310 HG3 MET 43 HG1 MET 43 -5.084 -4.137 -0.931 311 HE1 MET 43 HE1 MET 43 -1.690 -5.372 0.231 312 HE2 MET 43 HE2 MET 43 -2.589 -6.877 0.447 313 HE3 MET 43 HE3 MET 43 -1.973 -6.004 1.851 314 H VAL 44 HN VAL 44 -4.052 -8.622 -3.525 315 HA VAL 44 HA VAL 44 -1.272 -8.149 -3.433 316 HB VAL 44 HB VAL 44 -2.693 -10.314 -5.028 317 HG11 VAL 44 HG11 VAL 44 -0.361 -10.057 -5.663 318 HG12 VAL 44 HG12 VAL 44 -0.610 -11.575 -4.797 319 HG13 VAL 44 HG13 VAL 44 0.127 -10.201 -3.973 320 HG21 VAL 44 HG21 VAL 44 -3.381 -10.396 -2.703 321 HG22 VAL 44 HG22 VAL 44 -1.701 -10.380 -2.180 322 HG23 VAL 44 HG23 VAL 44 -2.333 -11.762 -3.081 323 H GLU 45 HN GLU 45 -3.715 -7.560 -5.841 324 HA GLU 45 HA GLU 45 -1.910 -7.204 -8.050 325 HB2 GLU 45 HB2 GLU 45 -4.690 -6.051 -7.747 326 HB3 GLU 45 HB1 GLU 45 -3.808 -6.310 -9.239 327 HG2 GLU 45 HG2 GLU 45 -5.006 -8.386 -7.427 328 HG3 GLU 45 HG1 GLU 45 -5.512 -7.960 -9.060 329 H VAL 46 HN VAL 46 -3.158 -5.351 -5.451 330 HA VAL 46 HA VAL 46 -2.476 -2.753 -6.386 331 HB VAL 46 HB VAL 46 -2.798 -3.754 -3.536 332 HG11 VAL 46 HG11 VAL 46 -2.861 -0.938 -4.619 333 HG12 VAL 46 HG12 VAL 46 -1.590 -1.645 -3.623 334 HG13 VAL 46 HG13 VAL 46 -3.205 -1.407 -2.955 335 HG21 VAL 46 HG21 VAL 46 -4.813 -4.121 -4.840 336 HG22 VAL 46 HG22 VAL 46 -4.804 -2.432 -5.357 337 HG23 VAL 46 HG23 VAL 46 -5.061 -2.838 -3.657 338 H VAL 47 HN VAL 47 -1.044 -4.860 -3.921 339 HA VAL 47 HA VAL 47 1.214 -3.296 -3.507 340 HB VAL 47 HB VAL 47 0.584 -4.994 -1.870 341 HG11 VAL 47 HG11 VAL 47 -0.116 -6.768 -3.330 342 HG12 VAL 47 HG12 VAL 47 1.081 -7.358 -2.172 343 HG13 VAL 47 HG13 VAL 47 1.547 -7.044 -3.846 344 HG21 VAL 47 HG21 VAL 47 2.816 -5.870 -1.321 345 HG22 VAL 47 HG22 VAL 47 2.862 -4.171 -1.802 346 HG23 VAL 47 HG23 VAL 47 3.374 -5.418 -2.934 347 H VAL 48 HN VAL 48 0.894 -5.986 -5.850 348 HA VAL 48 HA VAL 48 3.604 -6.007 -6.539 349 HB VAL 48 HB VAL 48 2.050 -7.840 -7.191 350 HG11 VAL 48 HG11 VAL 48 0.113 -6.576 -7.868 351 HG12 VAL 48 HG12 VAL 48 0.623 -7.654 -9.168 352 HG13 VAL 48 HG13 VAL 48 0.989 -5.932 -9.256 353 HG21 VAL 48 HG21 VAL 48 4.187 -7.690 -8.327 354 HG22 VAL 48 HG22 VAL 48 3.490 -6.608 -9.532 355 HG23 VAL 48 HG23 VAL 48 2.948 -8.283 -9.433 356 H ALA 49 HN ALA 49 0.991 -3.981 -7.638 357 HA ALA 49 HA ALA 49 2.512 -2.738 -9.727 358 HB1 ALA 49 HB1 ALA 49 -0.060 -1.875 -8.396 359 HB2 ALA 49 HB2 ALA 49 0.064 -2.859 -9.851 360 HB3 ALA 49 HB3 ALA 49 0.619 -1.181 -9.868 361 H ALA 50 HN ALA 50 1.827 -2.184 -6.369 362 HA ALA 50 HA ALA 50 2.771 0.477 -6.260 363 HB1 ALA 50 HB1 ALA 50 1.246 -0.465 -4.574 364 HB2 ALA 50 HB2 ALA 50 2.694 0.245 -3.851 365 HB3 ALA 50 HB3 ALA 50 2.551 -1.507 -4.002 366 H GLU 51 HN GLU 51 4.335 -2.602 -5.902 367 HA GLU 51 HA GLU 51 6.758 -1.840 -4.802 368 HB2 GLU 51 HB2 GLU 51 6.303 -3.877 -6.985 369 HB3 GLU 51 HB1 GLU 51 7.731 -3.770 -5.965 370 HG2 GLU 51 HG2 GLU 51 6.328 -4.212 -4.000 371 HG3 GLU 51 HG1 GLU 51 4.933 -4.376 -5.063 372 H GLU 52 HN GLU 52 5.929 -1.965 -8.246 373 HA GLU 52 HA GLU 52 8.395 -0.817 -9.040 374 HB2 GLU 52 HB2 GLU 52 7.415 -0.636 -11.264 375 HB3 GLU 52 HB1 GLU 52 7.109 -2.218 -10.567 376 HG2 GLU 52 HG2 GLU 52 4.819 -1.526 -10.008 377 HG3 GLU 52 HG1 GLU 52 5.155 0.054 -10.650 378 H ARG 53 HN ARG 53 5.288 0.530 -8.170 379 HA ARG 53 HA ARG 53 5.582 3.093 -9.339 380 HB2 ARG 53 HB2 ARG 53 4.007 2.329 -6.872 381 HB3 ARG 53 HB1 ARG 53 3.920 3.879 -7.666 382 HG2 ARG 53 HG2 ARG 53 3.001 1.221 -8.753 383 HG3 ARG 53 HG1 ARG 53 1.992 2.544 -8.188 384 HD2 ARG 53 HD2 ARG 53 1.881 2.781 -10.479 385 HD3 ARG 53 HD1 ARG 53 3.175 3.900 -10.064 386 HE ARG 53 HE ARG 53 3.928 1.201 -10.812 387 HH11 ARG 53 HH11 ARG 53 3.758 4.629 -11.741 388 HH12 ARG 53 HH12 ARG 53 4.592 4.423 -13.205 389 HH21 ARG 53 HH21 ARG 53 5.105 0.923 -12.900 390 HH22 ARG 53 HH22 ARG 53 5.410 2.288 -13.848 391 H PHE 54 HN PHE 54 6.426 1.838 -6.144 392 HA PHE 54 HA PHE 54 7.466 4.475 -5.482 393 HB2 PHE 54 HB2 PHE 54 6.941 2.141 -3.659 394 HB3 PHE 54 HB1 PHE 54 7.450 3.756 -3.158 395 HD1 PHE 54 HD2 PHE 54 5.942 5.678 -4.248 396 HD2 PHE 54 HD1 PHE 54 4.726 1.679 -3.485 397 HE1 PHE 54 HE2 PHE 54 3.592 6.387 -4.267 398 HE2 PHE 54 HE1 PHE 54 2.385 2.385 -3.514 399 HZ PHE 54 HZ PHE 54 1.821 4.729 -3.901 400 H ASP 55 HN ASP 55 8.701 1.964 -6.947 401 HA ASP 55 HA ASP 55 10.813 1.212 -7.365 402 HB2 ASP 55 HB2 ASP 55 11.559 3.614 -5.692 403 HB3 ASP 55 HB1 ASP 55 12.763 2.550 -6.405 404 H VAL 56 HN VAL 56 9.367 -0.006 -5.344 405 HA VAL 56 HA VAL 56 11.530 -0.862 -3.566 406 HB VAL 56 HB VAL 56 9.794 -1.520 -1.873 407 HG11 VAL 56 HG11 VAL 56 9.850 1.403 -2.564 408 HG12 VAL 56 HG12 VAL 56 11.046 0.531 -1.591 409 HG13 VAL 56 HG13 VAL 56 9.389 0.709 -1.006 410 HG21 VAL 56 HG21 VAL 56 7.921 0.085 -3.634 411 HG22 VAL 56 HG22 VAL 56 7.547 -0.491 -2.015 412 HG23 VAL 56 HG23 VAL 56 7.837 -1.646 -3.313 413 H LYS 57 HN LYS 57 10.708 -3.089 -2.553 414 HA LYS 57 HA LYS 57 9.322 -4.714 -4.493 415 HB2 LYS 57 HB2 LYS 57 11.833 -4.796 -5.050 416 HB3 LYS 57 HB1 LYS 57 12.054 -5.562 -3.479 417 HG2 LYS 57 HG2 LYS 57 11.958 -7.266 -5.148 418 HG3 LYS 57 HG1 LYS 57 10.474 -7.339 -4.190 419 HD2 LYS 57 HD2 LYS 57 9.393 -5.912 -5.963 420 HD3 LYS 57 HD1 LYS 57 10.834 -6.169 -6.945 421 HE2 LYS 57 HE2 LYS 57 9.144 -7.746 -7.610 422 HE3 LYS 57 HE1 LYS 57 10.437 -8.616 -6.785 423 HZ1 LYS 57 HZ1 LYS 57 9.109 -8.800 -4.840 424 HZ2 LYS 57 HZ2 LYS 57 8.063 -9.224 -6.117 425 HZ3 LYS 57 HZ3 LYS 57 7.992 -7.695 -5.416 426 H ILE 58 HN ILE 58 7.839 -5.525 -3.205 427 HA ILE 58 HA ILE 58 8.491 -5.791 -0.355 428 HB ILE 58 HB ILE 58 5.771 -5.376 -1.638 429 HG12 ILE 58 HG12 ILE 58 7.489 -3.440 -0.065 430 HG13 ILE 58 HG11 ILE 58 7.255 -3.400 -1.809 431 HG21 ILE 58 HG21 ILE 58 6.596 -5.388 1.272 432 HG22 ILE 58 HG22 ILE 58 5.642 -6.630 0.448 433 HG23 ILE 58 HG23 ILE 58 4.985 -5.007 0.651 434 HD11 ILE 58 HD11 ILE 58 5.888 -1.733 -0.704 435 HD12 ILE 58 HD12 ILE 58 5.130 -2.984 0.281 436 HD13 ILE 58 HD13 ILE 58 4.871 -2.958 -1.464 437 HA PRO 59 HA PRO 59 8.096 -10.181 -1.333 438 HB2 PRO 59 HB2 PRO 59 8.631 -10.353 1.581 439 HB3 PRO 59 HB1 PRO 59 9.469 -11.139 0.238 440 HG2 PRO 59 HG2 PRO 59 10.611 -9.133 1.542 441 HG3 PRO 59 HG1 PRO 59 10.756 -9.263 -0.225 442 HD2 PRO 59 HD2 PRO 59 8.936 -7.523 1.404 443 HD3 PRO 59 HD1 PRO 59 9.910 -7.103 -0.025 444 H ASP 60 HN ASP 60 6.569 -11.682 -0.889 445 HA ASP 60 HA ASP 60 3.948 -10.883 -0.320 446 HB2 ASP 60 HB2 ASP 60 4.707 -12.866 -1.654 447 HB3 ASP 60 HB1 ASP 60 5.108 -13.673 -0.150 448 H ASP 61 HN ASP 61 6.437 -12.224 1.648 449 HA ASP 61 HA ASP 61 5.085 -12.964 3.985 450 HB2 ASP 61 HB2 ASP 61 7.876 -11.811 3.761 451 HB3 ASP 61 HB1 ASP 61 7.251 -12.810 5.064 452 H ASP 62 HN ASP 62 6.875 -9.993 3.221 453 HA ASP 62 HA ASP 62 6.249 -8.640 5.604 454 HB2 ASP 62 HB2 ASP 62 7.288 -7.630 2.975 455 HB3 ASP 62 HB1 ASP 62 6.920 -6.539 4.305 456 H VAL 63 HN VAL 63 4.604 -8.783 2.556 457 HA VAL 63 HA VAL 63 2.915 -6.581 2.782 458 HB VAL 63 HB VAL 63 2.073 -9.284 1.674 459 HG11 VAL 63 HG11 VAL 63 0.243 -7.708 1.940 460 HG12 VAL 63 HG12 VAL 63 0.600 -7.964 0.232 461 HG13 VAL 63 HG13 VAL 63 1.141 -6.490 1.034 462 HG21 VAL 63 HG21 VAL 63 2.854 -8.480 -0.502 463 HG22 VAL 63 HG22 VAL 63 4.179 -8.601 0.657 464 HG23 VAL 63 HG23 VAL 63 3.489 -7.026 0.264 465 H LYS 64 HN LYS 64 2.371 -9.889 4.003 466 HA LYS 64 HA LYS 64 -0.072 -9.044 5.306 467 HB2 LYS 64 HB2 LYS 64 1.351 -11.705 5.358 468 HB3 LYS 64 HB1 LYS 64 -0.180 -11.382 6.155 469 HG2 LYS 64 HG2 LYS 64 -1.223 -10.922 4.013 470 HG3 LYS 64 HG1 LYS 64 0.320 -11.165 3.197 471 HD2 LYS 64 HD2 LYS 64 -1.178 -13.252 4.787 472 HD3 LYS 64 HD1 LYS 64 -1.122 -13.147 3.029 473 HE2 LYS 64 HE2 LYS 64 1.250 -13.580 4.847 474 HE3 LYS 64 HE1 LYS 64 0.437 -14.827 3.908 475 HZ1 LYS 64 HZ1 LYS 64 2.493 -13.966 2.932 476 HZ2 LYS 64 HZ2 LYS 64 1.792 -12.464 2.649 477 HZ3 LYS 64 HZ3 LYS 64 1.221 -13.830 1.877 478 H ASN 65 HN ASN 65 3.137 -8.803 6.095 479 HA ASN 65 HA ASN 65 2.659 -9.154 8.951 480 HB2 ASN 65 HB2 ASN 65 5.228 -8.591 7.467 481 HB3 ASN 65 HB1 ASN 65 5.095 -8.617 9.217 482 HD21 ASN 65 HD21 ASN 65 6.782 -10.231 7.686 483 HD22 ASN 65 HD22 ASN 65 6.324 -11.881 7.908 484 H LEU 66 HN LEU 66 2.387 -6.780 6.699 485 HA LEU 66 HA LEU 66 2.965 -4.640 8.609 486 HB2 LEU 66 HB2 LEU 66 2.198 -4.526 5.687 487 HB3 LEU 66 HB1 LEU 66 2.526 -3.134 6.695 488 HG LEU 66 HG LEU 66 4.536 -5.260 5.958 489 HD11 LEU 66 HD11 LEU 66 5.547 -3.503 4.596 490 HD12 LEU 66 HD12 LEU 66 4.195 -2.441 5.002 491 HD13 LEU 66 HD13 LEU 66 3.912 -3.905 4.061 492 HD21 LEU 66 HD21 LEU 66 4.884 -2.653 7.443 493 HD22 LEU 66 HD22 LEU 66 6.184 -3.743 6.954 494 HD23 LEU 66 HD23 LEU 66 4.990 -4.268 8.143 495 H LYS 67 HN LYS 67 1.274 -2.943 8.722 496 HA LYS 67 HA LYS 67 -1.319 -4.265 8.669 497 HB2 LYS 67 HB2 LYS 67 -1.805 -2.884 10.859 498 HB3 LYS 67 HB1 LYS 67 -1.019 -4.454 10.899 499 HG2 LYS 67 HG2 LYS 67 1.172 -3.311 11.025 500 HG3 LYS 67 HG1 LYS 67 0.328 -1.771 11.050 501 HD2 LYS 67 HD2 LYS 67 -0.694 -2.208 13.130 502 HD3 LYS 67 HD1 LYS 67 -0.260 -3.913 13.070 503 HE2 LYS 67 HE2 LYS 67 1.118 -2.649 14.675 504 HE3 LYS 67 HE1 LYS 67 2.075 -3.371 13.392 505 HZ1 LYS 67 HZ1 LYS 67 2.640 -1.053 14.071 506 HZ2 LYS 67 HZ2 LYS 67 1.234 -0.510 13.257 507 HZ3 LYS 67 HZ3 LYS 67 2.477 -1.307 12.429 508 H THR 68 HN THR 68 -0.587 -0.911 9.642 509 HA THR 68 HA THR 68 -2.875 -0.172 8.040 510 HB THR 68 HB THR 68 -2.632 2.036 9.108 511 HG1 THR 68 HG1 THR 68 -0.788 1.440 10.948 512 HG21 THR 68 HG21 THR 68 -3.880 0.282 10.339 513 HG22 THR 68 HG22 THR 68 -3.023 1.354 11.442 514 HG23 THR 68 HG23 THR 68 -2.370 -0.241 11.084 515 H VAL 69 HN VAL 69 -2.430 2.208 7.040 516 HA VAL 69 HA VAL 69 -0.354 1.750 5.099 517 HB VAL 69 HB VAL 69 -1.108 3.778 3.966 518 HG11 VAL 69 HG11 VAL 69 -2.379 1.758 3.531 519 HG12 VAL 69 HG12 VAL 69 -3.443 3.167 3.497 520 HG13 VAL 69 HG13 VAL 69 -3.418 2.106 4.912 521 HG21 VAL 69 HG21 VAL 69 -2.950 5.120 4.832 522 HG22 VAL 69 HG22 VAL 69 -1.551 5.157 5.907 523 HG23 VAL 69 HG23 VAL 69 -2.948 4.158 6.306 524 H GLY 70 HN GLY 70 -0.752 3.393 8.049 525 HA2 GLY 70 HA2 GLY 70 1.473 5.187 7.716 526 HA3 GLY 70 HA1 GLY 70 0.624 4.829 9.223 527 H ASP 71 HN ASP 71 0.863 1.991 8.744 528 HA ASP 71 HA ASP 71 3.468 1.531 9.873 529 HB2 ASP 71 HB2 ASP 71 1.553 0.292 10.710 530 HB3 ASP 71 HB1 ASP 71 1.236 -0.342 9.104 531 H ALA 72 HN ALA 72 1.768 0.762 6.873 532 HA ALA 72 HA ALA 72 3.743 -0.901 5.777 533 HB1 ALA 72 HB1 ALA 72 1.628 0.692 4.327 534 HB2 ALA 72 HB2 ALA 72 1.418 -0.926 4.995 535 HB3 ALA 72 HB3 ALA 72 2.543 -0.659 3.663 536 H THR 73 HN THR 73 3.160 2.552 5.586 537 HA THR 73 HA THR 73 4.878 3.138 3.542 538 HB THR 73 HB THR 73 5.094 5.402 4.823 539 HG1 THR 73 HG1 THR 73 2.723 4.583 6.006 540 HG21 THR 73 HG21 THR 73 2.439 4.407 3.801 541 HG22 THR 73 HG22 THR 73 3.751 5.037 2.812 542 HG23 THR 73 HG23 THR 73 2.920 6.099 3.953 543 H LYS 74 HN LYS 74 5.548 2.527 6.913 544 HA LYS 74 HA LYS 74 8.093 3.564 7.208 545 HB2 LYS 74 HB2 LYS 74 6.921 2.692 9.114 546 HB3 LYS 74 HB1 LYS 74 6.829 1.091 8.394 547 HG2 LYS 74 HG2 LYS 74 8.478 1.174 10.187 548 HG3 LYS 74 HG1 LYS 74 9.238 0.829 8.634 549 HD2 LYS 74 HD2 LYS 74 9.782 3.261 8.461 550 HD3 LYS 74 HD1 LYS 74 9.186 3.449 10.111 551 HE2 LYS 74 HE2 LYS 74 10.856 1.874 10.906 552 HE3 LYS 74 HE1 LYS 74 11.427 1.630 9.255 553 HZ1 LYS 74 HZ1 LYS 74 11.559 4.139 10.831 554 HZ2 LYS 74 HZ2 LYS 74 11.881 4.056 9.205 555 HZ3 LYS 74 HZ3 LYS 74 12.870 3.206 10.274 556 H TYR 75 HN TYR 75 7.147 0.411 5.944 557 HA TYR 75 HA TYR 75 9.841 -0.443 5.547 558 HB2 TYR 75 HB2 TYR 75 8.063 -2.078 5.890 559 HB3 TYR 75 HB1 TYR 75 7.242 -1.526 4.435 560 HD1 TYR 75 HD1 TYR 75 10.262 -3.242 5.698 561 HD2 TYR 75 HD2 TYR 75 7.867 -2.360 2.303 562 HE1 TYR 75 HE1 TYR 75 11.543 -4.872 4.384 563 HE2 TYR 75 HE2 TYR 75 9.131 -3.974 0.976 564 HH TYR 75 HH TYR 75 11.251 -6.248 2.350 565 H ILE 76 HN ILE 76 7.342 0.904 3.532 566 HA ILE 76 HA ILE 76 8.608 0.584 1.023 567 HB ILE 76 HB ILE 76 6.511 2.616 1.829 568 HG12 ILE 76 HG12 ILE 76 6.163 -0.117 0.582 569 HG13 ILE 76 HG11 ILE 76 5.916 0.233 2.290 570 HG21 ILE 76 HG21 ILE 76 5.944 2.628 -0.569 571 HG22 ILE 76 HG22 ILE 76 7.290 1.533 -0.890 572 HG23 ILE 76 HG23 ILE 76 7.603 3.164 -0.299 573 HD11 ILE 76 HD11 ILE 76 3.810 0.170 1.100 574 HD12 ILE 76 HD12 ILE 76 4.396 1.431 -0.002 575 HD13 ILE 76 HD13 ILE 76 4.161 1.794 1.707 576 H LEU 77 HN LEU 77 8.096 3.634 2.874 577 HA LEU 77 HA LEU 77 9.621 5.164 1.114 578 HB2 LEU 77 HB2 LEU 77 9.407 7.013 2.709 579 HB3 LEU 77 HB1 LEU 77 7.885 6.227 2.393 580 HG LEU 77 HG LEU 77 8.280 5.008 4.634 581 HD11 LEU 77 HD11 LEU 77 10.604 5.578 4.975 582 HD12 LEU 77 HD12 LEU 77 9.605 6.204 6.283 583 HD13 LEU 77 HD13 LEU 77 10.193 7.293 5.028 584 HD21 LEU 77 HD21 LEU 77 6.559 6.667 4.296 585 HD22 LEU 77 HD22 LEU 77 7.724 7.962 4.577 586 HD23 LEU 77 HD23 LEU 77 7.297 6.859 5.885 587 H ASP 78 HN ASP 78 10.591 3.210 3.639 588 HA ASP 78 HA ASP 78 13.124 4.574 4.035 589 HB2 ASP 78 HB2 ASP 78 12.119 3.456 5.942 590 HB3 ASP 78 HB1 ASP 78 12.159 1.919 5.086 591 H HIS 79 HN HIS 79 11.907 1.849 2.220 592 HA HIS 79 HA HIS 79 14.600 0.870 1.727 593 HB2 HIS 79 HB2 HIS 79 12.472 -0.580 2.071 594 HB3 HIS 79 HB1 HIS 79 12.141 -0.205 0.384 595 HD1 HIS 79 HD1 HIS 79 13.759 -1.272 -1.416 596 HD2 HIS 79 HD2 HIS 79 14.546 -2.353 2.520 597 HE1 HIS 79 HE1 HIS 79 15.280 -3.233 -1.551 598 HE2 HIS 79 HE2 HIS 79 16.000 -3.626 0.822 599 H GLN 80 HN GLN 80 12.204 2.778 0.173 600 HA GLN 80 HA GLN 80 13.134 2.541 -2.515 601 HB2 GLN 80 HB2 GLN 80 11.820 4.666 -2.857 602 HB3 GLN 80 HB1 GLN 80 10.915 3.277 -2.261 603 HG2 GLN 80 HG2 GLN 80 10.557 4.191 -0.235 604 HG3 GLN 80 HG1 GLN 80 12.064 5.086 -0.251 605 HE21 GLN 80 HE21 GLN 80 10.962 6.807 0.555 606 HE22 GLN 80 HE22 GLN 80 9.933 7.816 -0.407 607 H ALA 81 HN ALA 81 13.645 4.638 -3.678 608 HA ALA 81 HA ALA 81 15.578 6.244 -2.238 609 HB1 ALA 81 HB1 ALA 81 16.743 4.771 -3.819 610 HB2 ALA 81 HB2 ALA 81 16.784 6.436 -4.400 611 HB3 ALA 81 HB3 ALA 81 15.658 5.282 -5.114 612 H28 SXO 101 H28B SXO 101 -7.372 -11.004 3.398 613 H28A SXO 101 H28A SXO 101 -6.908 -11.625 1.800 614 H30 SXO 101 H30A SXO 101 -8.065 -13.302 4.770 615 H30A SXO 101 H30C SXO 101 -6.454 -13.791 5.377 616 H30B SXO 101 H30B SXO 101 -6.872 -12.069 5.238 617 H31 SXO 101 H31A SXO 101 -6.105 -15.057 3.125 618 H31A SXO 101 H31B SXO 101 -6.365 -14.073 1.657 619 H31B SXO 101 H31C SXO 101 -7.729 -14.468 2.685 620 H32 SXO 101 H32A SXO 101 -4.836 -11.703 4.141 621 HO33 SXO 101 H33A SXO 101 -3.944 -14.229 3.510 622 HN36 SXO 101 H36A SXO 101 -5.383 -10.905 1.831 623 H37 SXO 101 H37A SXO 101 -3.159 -11.703 0.105 624 H37A SXO 101 H37B SXO 101 -4.752 -11.302 -0.560 625 H38 SXO 101 H38B SXO 101 -4.565 -9.059 0.268 626 H38A SXO 101 H38A SXO 101 -3.146 -9.418 -0.696 627 HN41 SXO 101 H41A SXO 101 -4.424 -8.712 2.455 628 H42 SXO 101 H42A SXO 101 -1.852 -8.783 3.858 629 H42A SXO 101 H42B SXO 101 -2.661 -7.242 3.577 630 H43 SXO 101 H43B SXO 101 -4.662 -7.992 4.649 631 H43A SXO 101 H43A SXO 101 -3.784 -9.401 5.262 632 H2 SXO 101 H2A SXO 101 -1.265 -5.361 6.204 633 H2A SXO 101 H2B SXO 101 -2.233 -3.954 5.729 634 H3 SXO 101 H3B SXO 101 -0.757 -5.852 3.903 635 H3A SXO 101 H3A SXO 101 -1.764 -4.505 3.366 636 H4 SXO 101 H4A SXO 101 0.686 -4.255 5.113 637 H4A SXO 101 H4B SXO 101 -0.293 -2.929 4.484 638 H5 SXO 101 H5B SXO 101 1.753 -3.208 3.165 639 H5A SXO 101 H5A SXO 101 1.311 -4.881 2.824 640 H6 SXO 101 H6A SXO 101 -0.304 -2.459 2.015 641 H6A SXO 101 H6B SXO 101 -0.660 -4.138 1.611 642 H7 SXO 101 H7A SXO 101 0.365 -3.053 -0.300 643 H7A SXO 101 H7B SXO 101 1.484 -4.255 0.361 644 H8 SXO 101 H8C SXO 101 1.557 -1.283 0.896 645 H8A SXO 101 H8A SXO 101 2.627 -2.166 -0.194 646 H8B SXO 101 H8B SXO 101 2.679 -2.478 1.543 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 10.440 7.358 -6.465 2 H2 ALA 1 HT2 ALA 1 9.167 6.453 -5.914 3 H3 ALA 1 HT3 ALA 1 10.693 5.733 -6.064 4 HA ALA 1 HA ALA 1 10.222 6.276 -3.745 5 HB1 ALA 1 HB1 ALA 1 12.069 8.328 -4.975 6 HB2 ALA 1 HB2 ALA 1 12.521 6.706 -4.451 7 HB3 ALA 1 HB3 ALA 1 11.999 7.906 -3.265 8 H ALA 2 HN ALA 2 9.179 7.668 -2.289 9 HA ALA 2 HA ALA 2 8.265 10.275 -3.053 10 HB1 ALA 2 HB1 ALA 2 6.288 8.012 -2.654 11 HB2 ALA 2 HB2 ALA 2 6.557 8.895 -4.157 12 HB3 ALA 2 HB3 ALA 2 5.876 9.723 -2.757 13 H THR 3 HN THR 3 7.208 11.244 -1.132 14 HA THR 3 HA THR 3 8.267 9.943 1.210 15 HB THR 3 HB THR 3 7.005 12.712 1.080 16 HG1 THR 3 HG1 THR 3 9.641 11.780 0.497 17 HG21 THR 3 HG21 THR 3 9.042 11.484 2.970 18 HG22 THR 3 HG22 THR 3 7.374 11.938 3.376 19 HG23 THR 3 HG23 THR 3 8.553 13.175 2.972 20 H GLN 4 HN GLN 4 6.757 10.246 3.305 21 HA GLN 4 HA GLN 4 5.080 8.152 3.133 22 HB2 GLN 4 HB2 GLN 4 5.998 8.938 5.202 23 HB3 GLN 4 HB1 GLN 4 4.987 10.374 5.147 24 HG2 GLN 4 HG2 GLN 4 3.016 9.074 5.471 25 HG3 GLN 4 HG1 GLN 4 3.923 7.571 5.308 26 HE21 GLN 4 HE21 GLN 4 3.254 10.298 7.331 27 HE22 GLN 4 HE22 GLN 4 3.900 9.613 8.781 28 H GLU 5 HN GLU 5 3.837 11.519 3.038 29 HA GLU 5 HA GLU 5 1.114 10.770 2.874 30 HB2 GLU 5 HB2 GLU 5 1.990 13.077 3.398 31 HB3 GLU 5 HB1 GLU 5 2.416 13.244 1.707 32 HG2 GLU 5 HG2 GLU 5 0.384 14.408 2.039 33 HG3 GLU 5 HG1 GLU 5 -0.001 12.936 1.151 34 H GLU 6 HN GLU 6 3.479 11.621 0.368 35 HA GLU 6 HA GLU 6 1.798 11.146 -1.826 36 HB2 GLU 6 HB2 GLU 6 4.819 11.039 -1.764 37 HB3 GLU 6 HB1 GLU 6 3.846 11.066 -3.217 38 HG2 GLU 6 HG2 GLU 6 4.548 13.250 -3.023 39 HG3 GLU 6 HG1 GLU 6 2.947 13.301 -2.297 40 H ILE 7 HN ILE 7 3.817 9.002 0.031 41 HA ILE 7 HA ILE 7 3.791 6.828 -1.652 42 HB ILE 7 HB ILE 7 3.749 6.866 1.385 43 HG12 ILE 7 HG12 ILE 7 5.775 7.779 0.281 44 HG13 ILE 7 HG11 ILE 7 6.123 6.334 1.217 45 HG21 ILE 7 HG21 ILE 7 4.186 4.468 -0.400 46 HG22 ILE 7 HG22 ILE 7 2.812 4.737 0.672 47 HG23 ILE 7 HG23 ILE 7 4.421 4.496 1.351 48 HD11 ILE 7 HD11 ILE 7 5.810 6.447 -1.787 49 HD12 ILE 7 HD12 ILE 7 6.192 5.012 -0.850 50 HD13 ILE 7 HD13 ILE 7 7.334 6.343 -0.916 51 H VAL 8 HN VAL 8 1.504 7.696 0.973 52 HA VAL 8 HA VAL 8 -0.398 5.657 0.550 53 HB VAL 8 HB VAL 8 -0.859 8.454 1.655 54 HG11 VAL 8 HG11 VAL 8 -2.522 5.950 1.905 55 HG12 VAL 8 HG12 VAL 8 -2.940 7.385 0.967 56 HG13 VAL 8 HG13 VAL 8 -2.832 7.479 2.727 57 HG21 VAL 8 HG21 VAL 8 -0.701 7.391 3.835 58 HG22 VAL 8 HG22 VAL 8 0.799 7.204 2.925 59 HG23 VAL 8 HG23 VAL 8 -0.332 5.853 3.063 60 H ALA 9 HN ALA 9 -0.250 8.974 -0.664 61 HA ALA 9 HA ALA 9 -2.570 9.052 -2.184 62 HB1 ALA 9 HB1 ALA 9 -1.165 10.988 -1.722 63 HB2 ALA 9 HB2 ALA 9 -1.465 10.820 -3.458 64 HB3 ALA 9 HB3 ALA 9 0.086 10.316 -2.768 65 H GLY 10 HN GLY 10 0.644 7.866 -3.043 66 HA2 GLY 10 HA2 GLY 10 0.098 7.281 -5.752 67 HA3 GLY 10 HA1 GLY 10 1.410 6.596 -4.792 68 H LEU 11 HN LEU 11 0.081 5.352 -2.809 69 HA LEU 11 HA LEU 11 -0.624 2.847 -3.785 70 HB2 LEU 11 HB2 LEU 11 -1.425 4.213 -1.220 71 HB3 LEU 11 HB1 LEU 11 -1.739 2.527 -1.547 72 HG LEU 11 HG LEU 11 1.016 3.747 -1.419 73 HD11 LEU 11 HD11 LEU 11 1.167 2.672 0.789 74 HD12 LEU 11 HD12 LEU 11 -0.515 2.163 0.656 75 HD13 LEU 11 HD13 LEU 11 -0.121 3.879 0.757 76 HD21 LEU 11 HD21 LEU 11 0.819 1.682 -2.761 77 HD22 LEU 11 HD22 LEU 11 0.090 0.870 -1.375 78 HD23 LEU 11 HD23 LEU 11 1.758 1.428 -1.291 79 H ALA 12 HN ALA 12 -2.670 5.501 -2.739 80 HA ALA 12 HA ALA 12 -5.155 4.307 -3.031 81 HB1 ALA 12 HB1 ALA 12 -4.501 7.208 -3.332 82 HB2 ALA 12 HB2 ALA 12 -4.751 6.334 -1.806 83 HB3 ALA 12 HB3 ALA 12 -6.067 6.466 -2.976 84 H GLU 13 HN GLU 13 -3.112 5.725 -5.513 85 HA GLU 13 HA GLU 13 -5.263 5.991 -7.352 86 HB2 GLU 13 HB2 GLU 13 -2.318 5.732 -7.961 87 HB3 GLU 13 HB1 GLU 13 -3.560 6.156 -9.129 88 HG2 GLU 13 HG2 GLU 13 -4.095 8.126 -7.635 89 HG3 GLU 13 HG1 GLU 13 -2.601 7.748 -6.779 90 H ILE 14 HN ILE 14 -2.921 3.414 -6.773 91 HA ILE 14 HA ILE 14 -4.169 1.838 -8.818 92 HB ILE 14 HB ILE 14 -2.383 0.687 -6.634 93 HG12 ILE 14 HG12 ILE 14 -0.615 0.701 -8.556 94 HG13 ILE 14 HG11 ILE 14 -1.595 1.994 -9.232 95 HG21 ILE 14 HG21 ILE 14 -3.671 -0.930 -7.841 96 HG22 ILE 14 HG22 ILE 14 -1.963 -1.089 -8.281 97 HG23 ILE 14 HG23 ILE 14 -3.096 -0.293 -9.384 98 HD11 ILE 14 HD11 ILE 14 0.271 2.877 -7.979 99 HD12 ILE 14 HD12 ILE 14 -0.247 1.989 -6.546 100 HD13 ILE 14 HD13 ILE 14 -1.249 3.294 -7.185 101 H VAL 15 HN VAL 15 -4.463 2.221 -5.350 102 HA VAL 15 HA VAL 15 -6.201 0.048 -5.016 103 HB VAL 15 HB VAL 15 -5.916 2.532 -3.279 104 HG11 VAL 15 HG11 VAL 15 -7.353 -0.052 -2.683 105 HG12 VAL 15 HG12 VAL 15 -8.127 1.504 -2.978 106 HG13 VAL 15 HG13 VAL 15 -7.110 1.279 -1.553 107 HG21 VAL 15 HG21 VAL 15 -4.782 1.033 -1.744 108 HG22 VAL 15 HG22 VAL 15 -3.942 1.083 -3.304 109 HG23 VAL 15 HG23 VAL 15 -4.974 -0.294 -2.879 110 H ASN 16 HN ASN 16 -6.768 3.289 -6.120 111 HA ASN 16 HA ASN 16 -9.610 3.134 -6.138 112 HB2 ASN 16 HB2 ASN 16 -8.510 5.308 -6.272 113 HB3 ASN 16 HB1 ASN 16 -7.707 4.845 -7.765 114 HD21 ASN 16 HD21 ASN 16 -10.692 5.849 -6.312 115 HD22 ASN 16 HD22 ASN 16 -11.526 6.184 -7.773 116 H GLU 17 HN GLU 17 -7.103 2.174 -8.334 117 HA GLU 17 HA GLU 17 -8.765 1.524 -10.552 118 HB2 GLU 17 HB2 GLU 17 -6.361 1.917 -10.798 119 HB3 GLU 17 HB1 GLU 17 -6.004 0.582 -9.723 120 HG2 GLU 17 HG2 GLU 17 -5.555 -0.052 -11.989 121 HG3 GLU 17 HG1 GLU 17 -6.928 -0.973 -11.385 122 H ILE 18 HN ILE 18 -7.254 -0.392 -7.995 123 HA ILE 18 HA ILE 18 -8.367 -2.903 -8.738 124 HB ILE 18 HB ILE 18 -7.205 -1.989 -6.096 125 HG12 ILE 18 HG12 ILE 18 -5.640 -1.745 -7.903 126 HG13 ILE 18 HG11 ILE 18 -5.141 -3.085 -6.876 127 HG21 ILE 18 HG21 ILE 18 -8.536 -3.984 -5.773 128 HG22 ILE 18 HG22 ILE 18 -6.818 -4.359 -5.614 129 HG23 ILE 18 HG23 ILE 18 -7.686 -4.796 -7.089 130 HD11 ILE 18 HD11 ILE 18 -6.076 -4.653 -8.498 131 HD12 ILE 18 HD12 ILE 18 -4.834 -3.627 -9.226 132 HD13 ILE 18 HD13 ILE 18 -6.549 -3.302 -9.523 133 H ALA 19 HN ALA 19 -9.166 -0.684 -6.062 134 HA ALA 19 HA ALA 19 -11.553 -2.303 -5.554 135 HB1 ALA 19 HB1 ALA 19 -10.195 -0.295 -3.766 136 HB2 ALA 19 HB2 ALA 19 -9.979 -2.040 -3.708 137 HB3 ALA 19 HB3 ALA 19 -11.557 -1.337 -3.326 138 H GLY 20 HN GLY 20 -10.518 1.059 -5.733 139 HA2 GLY 20 HA2 GLY 20 -11.809 2.636 -7.065 140 HA3 GLY 20 HA1 GLY 20 -13.241 1.688 -6.692 141 H ILE 21 HN ILE 21 -10.766 2.890 -4.483 142 HA ILE 21 HA ILE 21 -12.868 4.166 -2.944 143 HB ILE 21 HB ILE 21 -10.932 4.627 -1.316 144 HG12 ILE 21 HG12 ILE 21 -9.097 2.892 -1.427 145 HG13 ILE 21 HG11 ILE 21 -9.607 2.551 -3.066 146 HG21 ILE 21 HG21 ILE 21 -11.868 1.814 -1.792 147 HG22 ILE 21 HG22 ILE 21 -12.643 3.082 -0.822 148 HG23 ILE 21 HG23 ILE 21 -11.095 2.420 -0.318 149 HD11 ILE 21 HD11 ILE 21 -8.512 5.175 -2.060 150 HD12 ILE 21 HD12 ILE 21 -9.017 4.835 -3.717 151 HD13 ILE 21 HD13 ILE 21 -7.645 3.974 -3.021 152 HA PRO 22 HA PRO 22 -11.714 8.297 -4.087 153 HB2 PRO 22 HB2 PRO 22 -11.987 9.127 -1.270 154 HB3 PRO 22 HB1 PRO 22 -12.938 9.634 -2.670 155 HG2 PRO 22 HG2 PRO 22 -13.969 8.056 -0.758 156 HG3 PRO 22 HG1 PRO 22 -14.421 7.881 -2.465 157 HD2 PRO 22 HD2 PRO 22 -12.509 6.255 -0.836 158 HD3 PRO 22 HD1 PRO 22 -13.710 5.719 -2.031 159 H VAL 23 HN VAL 23 -9.676 8.897 -4.420 160 HA VAL 23 HA VAL 23 -7.445 7.944 -3.154 161 HB VAL 23 HB VAL 23 -7.500 8.914 -5.398 162 HG11 VAL 23 HG11 VAL 23 -8.967 10.767 -5.041 163 HG12 VAL 23 HG12 VAL 23 -7.449 11.350 -5.740 164 HG13 VAL 23 HG13 VAL 23 -7.778 11.560 -4.015 165 HG21 VAL 23 HG21 VAL 23 -5.543 10.292 -3.582 166 HG22 VAL 23 HG22 VAL 23 -5.382 10.135 -5.339 167 HG23 VAL 23 HG23 VAL 23 -5.362 8.692 -4.310 168 H GLU 24 HN GLU 24 -9.366 10.707 -2.277 169 HA GLU 24 HA GLU 24 -7.364 11.741 -0.459 170 HB2 GLU 24 HB2 GLU 24 -9.057 13.502 -0.023 171 HB3 GLU 24 HB1 GLU 24 -8.589 13.357 -1.713 172 HG2 GLU 24 HG2 GLU 24 -10.630 12.057 -2.139 173 HG3 GLU 24 HG1 GLU 24 -11.106 12.288 -0.460 174 H ASP 25 HN ASP 25 -9.608 9.302 -0.265 175 HA ASP 25 HA ASP 25 -10.490 9.911 2.432 176 HB2 ASP 25 HB2 ASP 25 -12.014 8.747 0.832 177 HB3 ASP 25 HB1 ASP 25 -10.937 7.361 0.858 178 H VAL 26 HN VAL 26 -8.485 7.583 0.788 179 HA VAL 26 HA VAL 26 -7.543 6.514 3.271 180 HB VAL 26 HB VAL 26 -7.738 4.870 1.604 181 HG11 VAL 26 HG11 VAL 26 -6.720 4.959 -0.569 182 HG12 VAL 26 HG12 VAL 26 -6.163 6.617 -0.259 183 HG13 VAL 26 HG13 VAL 26 -7.896 6.242 -0.319 184 HG21 VAL 26 HG21 VAL 26 -5.461 4.022 1.235 185 HG22 VAL 26 HG22 VAL 26 -5.695 4.593 2.886 186 HG23 VAL 26 HG23 VAL 26 -4.809 5.586 1.727 187 H LYS 27 HN LYS 27 -6.481 7.789 4.412 188 HA LYS 27 HA LYS 27 -4.048 8.969 3.328 189 HB2 LYS 27 HB2 LYS 27 -5.925 9.925 5.496 190 HB3 LYS 27 HB1 LYS 27 -4.301 10.571 5.292 191 HG2 LYS 27 HG2 LYS 27 -4.858 11.310 3.043 192 HG3 LYS 27 HG1 LYS 27 -6.480 10.640 3.220 193 HD2 LYS 27 HD2 LYS 27 -6.996 12.197 4.955 194 HD3 LYS 27 HD1 LYS 27 -5.323 12.759 5.013 195 HE2 LYS 27 HE2 LYS 27 -7.132 13.016 2.616 196 HE3 LYS 27 HE1 LYS 27 -6.854 14.295 3.798 197 HZ1 LYS 27 HZ1 LYS 27 -4.761 13.084 2.018 198 HZ2 LYS 27 HZ2 LYS 27 -4.480 14.189 3.236 199 HZ3 LYS 27 HZ3 LYS 27 -5.420 14.649 1.928 200 H LEU 28 HN LEU 28 -2.852 9.459 5.854 201 HA LEU 28 HA LEU 28 -1.703 6.976 6.317 202 HB2 LEU 28 HB2 LEU 28 -1.508 9.571 7.698 203 HB3 LEU 28 HB1 LEU 28 -1.005 8.169 8.615 204 HG LEU 28 HG LEU 28 0.914 9.158 7.586 205 HD11 LEU 28 HD11 LEU 28 0.152 6.610 6.192 206 HD12 LEU 28 HD12 LEU 28 0.914 6.760 7.777 207 HD13 LEU 28 HD13 LEU 28 1.786 7.259 6.329 208 HD21 LEU 28 HD21 LEU 28 -0.486 8.774 4.938 209 HD22 LEU 28 HD22 LEU 28 1.180 9.318 5.154 210 HD23 LEU 28 HD23 LEU 28 -0.155 10.321 5.717 211 H ASP 29 HN ASP 29 -4.569 8.152 7.817 212 HA ASP 29 HA ASP 29 -4.394 6.010 9.800 213 HB2 ASP 29 HB2 ASP 29 -6.543 8.117 9.450 214 HB3 ASP 29 HB1 ASP 29 -6.524 6.904 10.722 215 H LYS 30 HN LYS 30 -4.355 4.686 7.784 216 HA LYS 30 HA LYS 30 -7.003 3.519 7.397 217 HB2 LYS 30 HB2 LYS 30 -5.107 4.380 5.235 218 HB3 LYS 30 HB1 LYS 30 -6.335 3.146 4.976 219 HG2 LYS 30 HG2 LYS 30 -6.956 5.734 6.135 220 HG3 LYS 30 HG1 LYS 30 -6.832 5.596 4.363 221 HD2 LYS 30 HD2 LYS 30 -8.537 3.825 4.379 222 HD3 LYS 30 HD1 LYS 30 -8.634 3.915 6.133 223 HE2 LYS 30 HE2 LYS 30 -9.297 6.200 4.297 224 HE3 LYS 30 HE1 LYS 30 -10.498 5.045 4.879 225 HZ1 LYS 30 HZ1 LYS 30 -9.812 5.666 7.142 226 HZ2 LYS 30 HZ2 LYS 30 -10.586 6.895 6.285 227 HZ3 LYS 30 HZ3 LYS 30 -8.910 6.968 6.516 228 H SER 31 HN SER 31 -6.940 1.423 6.665 229 HA SER 31 HA SER 31 -4.453 0.016 6.428 230 HB2 SER 31 HB2 SER 31 -5.027 -0.466 8.674 231 HB3 SER 31 HB1 SER 31 -6.750 -0.751 8.301 232 HG SER 31 HG SER 31 -4.510 -2.385 8.102 233 H PHE 32 HN PHE 32 -4.902 -1.976 5.138 234 HA PHE 32 HA PHE 32 -6.301 -0.935 2.909 235 HB2 PHE 32 HB2 PHE 32 -4.803 -3.500 3.296 236 HB3 PHE 32 HB1 PHE 32 -5.468 -2.953 1.757 237 HD1 PHE 32 HD1 PHE 32 -2.912 -2.362 4.305 238 HD2 PHE 32 HD2 PHE 32 -4.479 -1.080 0.546 239 HE1 PHE 32 HE1 PHE 32 -0.880 -1.039 3.906 240 HE2 PHE 32 HE2 PHE 32 -2.445 0.236 0.155 241 HZ PHE 32 HZ PHE 32 -0.675 0.295 1.798 242 H THR 33 HN THR 33 -6.906 -3.773 4.928 243 HA THR 33 HA THR 33 -9.505 -3.705 3.617 244 HB THR 33 HB THR 33 -8.115 -5.625 3.019 245 HG1 THR 33 HG1 THR 33 -10.259 -5.846 2.874 246 HG21 THR 33 HG21 THR 33 -7.794 -7.473 4.644 247 HG22 THR 33 HG22 THR 33 -8.433 -6.427 5.915 248 HG23 THR 33 HG23 THR 33 -6.929 -6.006 5.098 249 H ASP 34 HN ASP 34 -8.393 -2.495 6.051 250 HA ASP 34 HA ASP 34 -10.434 -3.540 7.884 251 HB2 ASP 34 HB2 ASP 34 -8.240 -4.088 8.755 252 HB3 ASP 34 HB1 ASP 34 -7.755 -2.400 8.668 253 H ASP 35 HN ASP 35 -8.695 -0.619 6.920 254 HA ASP 35 HA ASP 35 -10.902 0.957 8.107 255 HB2 ASP 35 HB2 ASP 35 -8.289 1.408 8.481 256 HB3 ASP 35 HB1 ASP 35 -8.436 2.213 6.933 257 H LEU 36 HN LEU 36 -9.418 -0.090 5.162 258 HA LEU 36 HA LEU 36 -10.944 1.769 3.515 259 HB2 LEU 36 HB2 LEU 36 -8.681 -0.121 2.968 260 HB3 LEU 36 HB1 LEU 36 -9.672 0.497 1.669 261 HG LEU 36 HG LEU 36 -8.108 2.263 3.547 262 HD11 LEU 36 HD11 LEU 36 -7.428 1.256 0.775 263 HD12 LEU 36 HD12 LEU 36 -6.617 0.774 2.266 264 HD13 LEU 36 HD13 LEU 36 -6.503 2.440 1.700 265 HD21 LEU 36 HD21 LEU 36 -9.973 3.362 2.478 266 HD22 LEU 36 HD22 LEU 36 -9.522 2.668 0.929 267 HD23 LEU 36 HD23 LEU 36 -8.483 3.883 1.666 268 H ASP 37 HN ASP 37 -11.576 0.498 1.376 269 HA ASP 37 HA ASP 37 -13.366 -1.662 2.281 270 HB2 ASP 37 HB2 ASP 37 -13.701 0.424 0.122 271 HB3 ASP 37 HB1 ASP 37 -14.707 -1.016 0.185 272 H VAL 38 HN VAL 38 -10.604 -1.809 1.356 273 HA VAL 38 HA VAL 38 -10.745 -3.098 -1.243 274 HB VAL 38 HB VAL 38 -8.403 -2.854 0.651 275 HG11 VAL 38 HG11 VAL 38 -7.037 -3.107 -1.369 276 HG12 VAL 38 HG12 VAL 38 -8.505 -3.305 -2.328 277 HG13 VAL 38 HG13 VAL 38 -8.088 -4.497 -1.097 278 HG21 VAL 38 HG21 VAL 38 -9.225 -0.950 -1.524 279 HG22 VAL 38 HG22 VAL 38 -7.717 -0.878 -0.611 280 HG23 VAL 38 HG23 VAL 38 -9.262 -0.638 0.210 281 H ASP 39 HN ASP 39 -10.999 -5.231 -1.358 282 HA ASP 39 HA ASP 39 -11.225 -6.848 0.985 283 HB2 ASP 39 HB2 ASP 39 -10.935 -7.708 -1.911 284 HB3 ASP 39 HB1 ASP 39 -11.374 -8.766 -0.579 285 H SER 40 HN SER 40 -9.756 -8.377 1.752 286 HA SER 40 HA SER 40 -7.064 -7.575 1.490 287 HB2 SER 40 HB2 SER 40 -6.622 -9.517 2.982 288 HB3 SER 40 HB1 SER 40 -7.893 -8.395 3.522 289 H LEU 41 HN LEU 41 -8.872 -10.291 0.208 290 HA LEU 41 HA LEU 41 -6.596 -11.475 -0.941 291 HB2 LEU 41 HB2 LEU 41 -9.541 -11.837 -1.445 292 HB3 LEU 41 HB1 LEU 41 -8.365 -12.650 -2.451 293 HG LEU 41 HG LEU 41 -7.499 -13.851 -0.468 294 HD11 LEU 41 HD11 LEU 41 -9.765 -12.554 1.032 295 HD12 LEU 41 HD12 LEU 41 -8.046 -12.253 1.284 296 HD13 LEU 41 HD13 LEU 41 -8.724 -13.846 1.631 297 HD21 LEU 41 HD21 LEU 41 -10.462 -14.101 -0.882 298 HD22 LEU 41 HD22 LEU 41 -9.410 -15.315 -0.147 299 HD23 LEU 41 HD23 LEU 41 -9.196 -14.869 -1.839 300 H SER 42 HN SER 42 -8.409 -8.784 -1.688 301 HA SER 42 HA SER 42 -7.972 -8.660 -4.534 302 HB2 SER 42 HB2 SER 42 -10.062 -7.864 -3.568 303 HB3 SER 42 HB1 SER 42 -9.174 -6.738 -2.549 304 HG SER 42 HG SER 42 -9.447 -6.683 -5.394 305 H MET 43 HN MET 43 -6.662 -7.117 -1.567 306 HA MET 43 HA MET 43 -5.206 -5.020 -2.721 307 HB2 MET 43 HB2 MET 43 -5.576 -5.336 -0.254 308 HB3 MET 43 HB1 MET 43 -4.299 -6.550 -0.281 309 HG2 MET 43 HG2 MET 43 -2.873 -4.682 -1.365 310 HG3 MET 43 HG1 MET 43 -4.096 -3.596 -0.726 311 HE1 MET 43 HE1 MET 43 -1.101 -5.937 -0.007 312 HE2 MET 43 HE2 MET 43 -2.398 -6.891 0.721 313 HE3 MET 43 HE3 MET 43 -1.174 -6.144 1.744 314 H VAL 44 HN VAL 44 -4.546 -8.301 -2.675 315 HA VAL 44 HA VAL 44 -1.807 -8.529 -2.930 316 HB VAL 44 HB VAL 44 -3.948 -10.139 -4.349 317 HG11 VAL 44 HG11 VAL 44 -1.741 -10.539 -5.321 318 HG12 VAL 44 HG12 VAL 44 -2.303 -11.945 -4.417 319 HG13 VAL 44 HG13 VAL 44 -1.090 -10.874 -3.715 320 HG21 VAL 44 HG21 VAL 44 -4.280 -10.045 -1.930 321 HG22 VAL 44 HG22 VAL 44 -2.623 -10.523 -1.655 322 HG23 VAL 44 HG23 VAL 44 -3.746 -11.653 -2.406 323 H GLU 45 HN GLU 45 -4.152 -7.572 -5.401 324 HA GLU 45 HA GLU 45 -2.269 -7.580 -7.532 325 HB2 GLU 45 HB2 GLU 45 -4.960 -6.241 -7.295 326 HB3 GLU 45 HB1 GLU 45 -4.008 -6.318 -8.771 327 HG2 GLU 45 HG2 GLU 45 -5.139 -8.653 -7.253 328 HG3 GLU 45 HG1 GLU 45 -5.741 -8.000 -8.777 329 H VAL 46 HN VAL 46 -3.487 -5.041 -5.356 330 HA VAL 46 HA VAL 46 -2.047 -3.051 -6.781 331 HB VAL 46 HB VAL 46 -4.058 -2.288 -5.716 332 HG11 VAL 46 HG11 VAL 46 -4.383 -2.209 -3.309 333 HG12 VAL 46 HG12 VAL 46 -2.870 -3.093 -3.085 334 HG13 VAL 46 HG13 VAL 46 -4.226 -3.857 -3.918 335 HG21 VAL 46 HG21 VAL 46 -1.689 -1.132 -4.255 336 HG22 VAL 46 HG22 VAL 46 -3.280 -0.379 -4.380 337 HG23 VAL 46 HG23 VAL 46 -2.304 -0.621 -5.827 338 H VAL 47 HN VAL 47 -1.304 -5.068 -4.050 339 HA VAL 47 HA VAL 47 0.876 -3.461 -3.229 340 HB VAL 47 HB VAL 47 -0.131 -5.109 -1.674 341 HG11 VAL 47 HG11 VAL 47 1.249 -7.207 -3.325 342 HG12 VAL 47 HG12 VAL 47 -0.491 -6.976 -3.148 343 HG13 VAL 47 HG13 VAL 47 0.480 -7.469 -1.760 344 HG21 VAL 47 HG21 VAL 47 2.058 -4.221 -1.159 345 HG22 VAL 47 HG22 VAL 47 2.825 -5.488 -2.118 346 HG23 VAL 47 HG23 VAL 47 1.959 -5.905 -0.640 347 H VAL 48 HN VAL 48 0.654 -5.991 -5.646 348 HA VAL 48 HA VAL 48 3.500 -6.071 -5.971 349 HB VAL 48 HB VAL 48 2.083 -8.052 -6.537 350 HG11 VAL 48 HG11 VAL 48 1.145 -6.446 -8.890 351 HG12 VAL 48 HG12 VAL 48 0.176 -6.988 -7.521 352 HG13 VAL 48 HG13 VAL 48 0.857 -8.169 -8.641 353 HG21 VAL 48 HG21 VAL 48 4.312 -7.939 -7.470 354 HG22 VAL 48 HG22 VAL 48 3.717 -7.008 -8.845 355 HG23 VAL 48 HG23 VAL 48 3.214 -8.683 -8.634 356 H ALA 49 HN ALA 49 0.934 -4.169 -7.199 357 HA ALA 49 HA ALA 49 2.456 -3.076 -9.393 358 HB1 ALA 49 HB1 ALA 49 0.533 -1.601 -9.718 359 HB2 ALA 49 HB2 ALA 49 -0.156 -2.155 -8.192 360 HB3 ALA 49 HB3 ALA 49 0.014 -3.278 -9.541 361 H ALA 50 HN ALA 50 2.099 -2.478 -6.066 362 HA ALA 50 HA ALA 50 2.780 0.298 -6.085 363 HB1 ALA 50 HB1 ALA 50 1.459 -0.728 -4.287 364 HB2 ALA 50 HB2 ALA 50 2.902 0.088 -3.676 365 HB3 ALA 50 HB3 ALA 50 2.868 -1.675 -3.812 366 H GLU 51 HN GLU 51 4.545 -2.639 -6.103 367 HA GLU 51 HA GLU 51 6.965 -1.794 -4.988 368 HB2 GLU 51 HB2 GLU 51 6.597 -3.780 -7.232 369 HB3 GLU 51 HB1 GLU 51 7.975 -3.672 -6.144 370 HG2 GLU 51 HG2 GLU 51 6.487 -4.227 -4.262 371 HG3 GLU 51 HG1 GLU 51 5.159 -4.419 -5.407 372 H GLU 52 HN GLU 52 6.110 -2.053 -8.426 373 HA GLU 52 HA GLU 52 8.376 -0.741 -9.458 374 HB2 GLU 52 HB2 GLU 52 7.114 -0.567 -11.531 375 HB3 GLU 52 HB1 GLU 52 6.871 -2.151 -10.806 376 HG2 GLU 52 HG2 GLU 52 4.639 -1.445 -9.991 377 HG3 GLU 52 HG1 GLU 52 4.988 0.156 -10.535 378 H ARG 53 HN ARG 53 5.344 0.399 -8.298 379 HA ARG 53 HA ARG 53 5.277 2.957 -9.439 380 HB2 ARG 53 HB2 ARG 53 3.297 1.868 -8.650 381 HB3 ARG 53 HB1 ARG 53 3.940 1.766 -7.023 382 HG2 ARG 53 HG2 ARG 53 2.281 3.398 -7.177 383 HG3 ARG 53 HG1 ARG 53 3.823 4.206 -6.843 384 HD2 ARG 53 HD2 ARG 53 3.919 4.578 -9.387 385 HD3 ARG 53 HD1 ARG 53 2.208 4.136 -9.389 386 HE ARG 53 HE ARG 53 3.382 6.407 -7.941 387 HH11 ARG 53 HH11 ARG 53 0.523 4.987 -9.594 388 HH12 ARG 53 HH12 ARG 53 -0.373 6.433 -9.307 389 HH21 ARG 53 HH21 ARG 53 2.057 8.234 -7.636 390 HH22 ARG 53 HH22 ARG 53 0.436 8.195 -8.249 391 H PHE 54 HN PHE 54 6.405 1.785 -6.307 392 HA PHE 54 HA PHE 54 7.261 4.498 -5.733 393 HB2 PHE 54 HB2 PHE 54 6.889 2.176 -3.867 394 HB3 PHE 54 HB1 PHE 54 7.447 3.779 -3.384 395 HD1 PHE 54 HD2 PHE 54 5.935 5.753 -4.187 396 HD2 PHE 54 HD1 PHE 54 4.656 1.731 -3.764 397 HE1 PHE 54 HE2 PHE 54 3.610 6.512 -4.067 398 HE2 PHE 54 HE1 PHE 54 2.335 2.478 -3.656 399 HZ PHE 54 HZ PHE 54 1.808 4.868 -3.803 400 H ASP 55 HN ASP 55 8.582 2.065 -7.224 401 HA ASP 55 HA ASP 55 10.713 1.417 -7.752 402 HB2 ASP 55 HB2 ASP 55 11.405 3.817 -6.074 403 HB3 ASP 55 HB1 ASP 55 12.627 2.896 -6.967 404 H VAL 56 HN VAL 56 9.401 0.232 -5.621 405 HA VAL 56 HA VAL 56 11.627 -0.433 -3.841 406 HB VAL 56 HB VAL 56 9.814 0.999 -2.804 407 HG11 VAL 56 HG11 VAL 56 8.062 -1.399 -3.142 408 HG12 VAL 56 HG12 VAL 56 7.866 0.189 -3.875 409 HG13 VAL 56 HG13 VAL 56 7.690 -0.004 -2.132 410 HG21 VAL 56 HG21 VAL 56 9.610 -0.283 -0.685 411 HG22 VAL 56 HG22 VAL 56 11.251 -0.271 -1.327 412 HG23 VAL 56 HG23 VAL 56 10.243 -1.705 -1.517 413 H LYS 57 HN LYS 57 10.534 -2.638 -2.596 414 HA LYS 57 HA LYS 57 9.267 -4.393 -4.484 415 HB2 LYS 57 HB2 LYS 57 11.815 -4.563 -4.842 416 HB3 LYS 57 HB1 LYS 57 11.919 -5.118 -3.178 417 HG2 LYS 57 HG2 LYS 57 11.978 -7.007 -4.645 418 HG3 LYS 57 HG1 LYS 57 10.449 -7.013 -3.762 419 HD2 LYS 57 HD2 LYS 57 9.386 -5.921 -5.739 420 HD3 LYS 57 HD1 LYS 57 10.908 -6.124 -6.609 421 HE2 LYS 57 HE2 LYS 57 9.375 -7.909 -7.191 422 HE3 LYS 57 HE1 LYS 57 10.735 -8.563 -6.277 423 HZ1 LYS 57 HZ1 LYS 57 8.553 -9.444 -5.550 424 HZ2 LYS 57 HZ2 LYS 57 8.110 -7.864 -5.099 425 HZ3 LYS 57 HZ3 LYS 57 9.370 -8.635 -4.309 426 H ILE 58 HN ILE 58 7.893 -5.706 -3.212 427 HA ILE 58 HA ILE 58 8.278 -5.422 -0.313 428 HB ILE 58 HB ILE 58 5.598 -5.251 -1.739 429 HG12 ILE 58 HG12 ILE 58 7.169 -2.983 -0.484 430 HG13 ILE 58 HG11 ILE 58 7.126 -3.300 -2.212 431 HG21 ILE 58 HG21 ILE 58 5.496 -6.097 0.561 432 HG22 ILE 58 HG22 ILE 58 4.789 -4.484 0.463 433 HG23 ILE 58 HG23 ILE 58 6.410 -4.698 1.126 434 HD11 ILE 58 HD11 ILE 58 4.775 -2.581 -0.482 435 HD12 ILE 58 HD12 ILE 58 4.717 -2.902 -2.215 436 HD13 ILE 58 HD13 ILE 58 5.612 -1.511 -1.606 437 HA PRO 59 HA PRO 59 7.958 -9.902 -1.096 438 HB2 PRO 59 HB2 PRO 59 8.748 -10.028 1.737 439 HB3 PRO 59 HB1 PRO 59 9.543 -10.728 0.325 440 HG2 PRO 59 HG2 PRO 59 10.591 -8.644 1.640 441 HG3 PRO 59 HG1 PRO 59 10.738 -8.812 -0.120 442 HD2 PRO 59 HD2 PRO 59 8.883 -7.087 1.469 443 HD3 PRO 59 HD1 PRO 59 9.781 -6.711 -0.016 444 H ASP 60 HN ASP 60 6.421 -11.377 -0.539 445 HA ASP 60 HA ASP 60 3.959 -10.466 0.419 446 HB2 ASP 60 HB2 ASP 60 3.974 -12.334 -1.060 447 HB3 ASP 60 HB1 ASP 60 4.978 -13.275 0.043 448 H ASP 61 HN ASP 61 6.466 -12.254 2.092 449 HA ASP 61 HA ASP 61 4.960 -12.757 4.431 450 HB2 ASP 61 HB2 ASP 61 7.043 -13.969 4.013 451 HB3 ASP 61 HB1 ASP 61 7.962 -12.478 4.190 452 H ASP 62 HN ASP 62 6.901 -10.003 3.464 453 HA ASP 62 HA ASP 62 6.584 -8.680 5.980 454 HB2 ASP 62 HB2 ASP 62 7.632 -7.741 3.319 455 HB3 ASP 62 HB1 ASP 62 7.345 -6.605 4.634 456 H VAL 63 HN VAL 63 4.871 -8.763 2.987 457 HA VAL 63 HA VAL 63 3.034 -6.673 3.390 458 HB VAL 63 HB VAL 63 2.561 -9.398 2.107 459 HG11 VAL 63 HG11 VAL 63 0.674 -8.346 0.945 460 HG12 VAL 63 HG12 VAL 63 0.942 -6.865 1.865 461 HG13 VAL 63 HG13 VAL 63 0.448 -8.341 2.696 462 HG21 VAL 63 HG21 VAL 63 4.333 -8.141 1.017 463 HG22 VAL 63 HG22 VAL 63 3.274 -6.740 0.870 464 HG23 VAL 63 HG23 VAL 63 2.907 -8.219 -0.016 465 H LYS 64 HN LYS 64 2.689 -10.127 4.159 466 HA LYS 64 HA LYS 64 0.357 -9.919 5.736 467 HB2 LYS 64 HB2 LYS 64 2.553 -11.994 5.737 468 HB3 LYS 64 HB1 LYS 64 1.082 -12.146 6.676 469 HG2 LYS 64 HG2 LYS 64 -0.242 -12.175 4.624 470 HG3 LYS 64 HG1 LYS 64 1.229 -11.970 3.665 471 HD2 LYS 64 HD2 LYS 64 2.088 -14.088 4.414 472 HD3 LYS 64 HD1 LYS 64 0.771 -14.265 5.568 473 HE2 LYS 64 HE2 LYS 64 0.436 -15.683 3.612 474 HE3 LYS 64 HE1 LYS 64 -0.823 -14.461 3.734 475 HZ1 LYS 64 HZ1 LYS 64 0.280 -13.206 1.970 476 HZ2 LYS 64 HZ2 LYS 64 0.061 -14.778 1.432 477 HZ3 LYS 64 HZ3 LYS 64 1.554 -14.269 1.952 478 H ASN 65 HN ASN 65 3.617 -9.207 6.452 479 HA ASN 65 HA ASN 65 3.401 -9.399 9.305 480 HB2 ASN 65 HB2 ASN 65 5.540 -9.877 8.356 481 HB3 ASN 65 HB1 ASN 65 5.568 -8.357 7.479 482 HD21 ASN 65 HD21 ASN 65 5.847 -9.855 10.631 483 HD22 ASN 65 HD22 ASN 65 6.669 -8.543 11.389 484 H LEU 66 HN LEU 66 2.729 -6.924 6.962 485 HA LEU 66 HA LEU 66 2.973 -4.804 8.928 486 HB2 LEU 66 HB2 LEU 66 1.973 -4.740 6.073 487 HB3 LEU 66 HB1 LEU 66 2.196 -3.332 7.088 488 HG LEU 66 HG LEU 66 4.378 -5.166 6.091 489 HD11 LEU 66 HD11 LEU 66 3.665 -2.346 5.353 490 HD12 LEU 66 HD12 LEU 66 3.470 -3.782 4.344 491 HD13 LEU 66 HD13 LEU 66 5.085 -3.226 4.791 492 HD21 LEU 66 HD21 LEU 66 5.924 -3.535 7.045 493 HD22 LEU 66 HD22 LEU 66 4.916 -4.268 8.293 494 HD23 LEU 66 HD23 LEU 66 4.566 -2.637 7.719 495 H LYS 67 HN LYS 67 0.829 -3.196 8.613 496 HA LYS 67 HA LYS 67 -1.539 -4.823 8.765 497 HB2 LYS 67 HB2 LYS 67 -2.234 -4.026 11.019 498 HB3 LYS 67 HB1 LYS 67 -0.796 -5.033 11.058 499 HG2 LYS 67 HG2 LYS 67 0.578 -2.993 11.235 500 HG3 LYS 67 HG1 LYS 67 -0.898 -2.036 11.278 501 HD2 LYS 67 HD2 LYS 67 -1.576 -3.276 13.321 502 HD3 LYS 67 HD1 LYS 67 -0.014 -4.095 13.295 503 HE2 LYS 67 HE2 LYS 67 -0.444 -1.110 13.525 504 HE3 LYS 67 HE1 LYS 67 -0.018 -2.191 14.846 505 HZ1 LYS 67 HZ1 LYS 67 1.903 -0.995 14.000 506 HZ2 LYS 67 HZ2 LYS 67 1.716 -1.621 12.463 507 HZ3 LYS 67 HZ3 LYS 67 2.095 -2.647 13.761 508 H THR 68 HN THR 68 -0.458 -1.402 9.280 509 HA THR 68 HA THR 68 -2.961 -0.728 7.897 510 HB THR 68 HB THR 68 -2.813 1.494 8.912 511 HG1 THR 68 HG1 THR 68 -0.436 0.484 10.143 512 HG21 THR 68 HG21 THR 68 -3.949 -0.248 10.236 513 HG22 THR 68 HG22 THR 68 -3.128 0.908 11.284 514 HG23 THR 68 HG23 THR 68 -2.412 -0.674 10.992 515 H VAL 69 HN VAL 69 -2.478 1.774 6.994 516 HA VAL 69 HA VAL 69 -0.484 1.317 4.973 517 HB VAL 69 HB VAL 69 -1.160 3.425 3.946 518 HG11 VAL 69 HG11 VAL 69 -2.532 1.508 3.424 519 HG12 VAL 69 HG12 VAL 69 -3.517 2.972 3.469 520 HG13 VAL 69 HG13 VAL 69 -3.561 1.839 4.818 521 HG21 VAL 69 HG21 VAL 69 -2.921 4.836 4.902 522 HG22 VAL 69 HG22 VAL 69 -1.500 4.762 5.946 523 HG23 VAL 69 HG23 VAL 69 -2.938 3.822 6.342 524 H GLY 70 HN GLY 70 -0.592 2.641 8.063 525 HA2 GLY 70 HA2 GLY 70 1.539 4.522 7.791 526 HA3 GLY 70 HA1 GLY 70 0.914 3.842 9.296 527 H ASP 71 HN ASP 71 1.160 1.158 8.351 528 HA ASP 71 HA ASP 71 3.923 0.656 9.023 529 HB2 ASP 71 HB2 ASP 71 1.743 -1.235 8.129 530 HB3 ASP 71 HB1 ASP 71 3.307 -1.727 8.758 531 H ALA 72 HN ALA 72 1.868 0.559 6.242 532 HA ALA 72 HA ALA 72 3.581 -0.758 4.445 533 HB1 ALA 72 HB1 ALA 72 1.395 1.241 3.872 534 HB2 ALA 72 HB2 ALA 72 1.177 -0.499 4.058 535 HB3 ALA 72 HB3 ALA 72 2.119 0.132 2.707 536 H THR 73 HN THR 73 2.853 2.681 4.902 537 HA THR 73 HA THR 73 4.532 3.768 3.051 538 HB THR 73 HB THR 73 4.608 5.736 4.707 539 HG1 THR 73 HG1 THR 73 2.491 4.420 5.965 540 HG21 THR 73 HG21 THR 73 3.073 5.583 2.816 541 HG22 THR 73 HG22 THR 73 2.291 6.313 4.218 542 HG23 THR 73 HG23 THR 73 1.960 4.630 3.796 543 H LYS 74 HN LYS 74 5.218 3.006 6.422 544 HA LYS 74 HA LYS 74 7.812 3.953 6.654 545 HB2 LYS 74 HB2 LYS 74 6.459 3.051 8.528 546 HB3 LYS 74 HB1 LYS 74 6.701 1.431 7.896 547 HG2 LYS 74 HG2 LYS 74 9.182 1.823 8.163 548 HG3 LYS 74 HG1 LYS 74 8.765 3.285 9.055 549 HD2 LYS 74 HD2 LYS 74 9.155 1.496 10.625 550 HD3 LYS 74 HD1 LYS 74 7.430 1.882 10.619 551 HE2 LYS 74 HE2 LYS 74 7.010 -0.006 9.127 552 HE3 LYS 74 HE1 LYS 74 8.731 -0.378 9.101 553 HZ1 LYS 74 HZ1 LYS 74 8.603 -0.810 11.505 554 HZ2 LYS 74 HZ2 LYS 74 7.595 -1.810 10.595 555 HZ3 LYS 74 HZ3 LYS 74 6.920 -0.533 11.453 556 H TYR 75 HN TYR 75 6.749 0.675 5.730 557 HA TYR 75 HA TYR 75 9.342 -0.359 5.356 558 HB2 TYR 75 HB2 TYR 75 7.299 -1.765 5.696 559 HB3 TYR 75 HB1 TYR 75 6.786 -1.347 4.062 560 HD1 TYR 75 HD1 TYR 75 9.304 -3.219 6.034 561 HD2 TYR 75 HD2 TYR 75 7.784 -2.358 2.158 562 HE1 TYR 75 HE1 TYR 75 10.551 -5.131 5.122 563 HE2 TYR 75 HE2 TYR 75 9.025 -4.255 1.245 564 HH TYR 75 HH TYR 75 10.366 -6.645 3.190 565 H ILE 76 HN ILE 76 7.008 0.963 3.108 566 HA ILE 76 HA ILE 76 8.440 0.524 0.726 567 HB ILE 76 HB ILE 76 6.424 2.691 1.395 568 HG12 ILE 76 HG12 ILE 76 6.033 0.066 -0.042 569 HG13 ILE 76 HG11 ILE 76 5.665 0.329 1.663 570 HG21 ILE 76 HG21 ILE 76 7.384 1.687 -1.287 571 HG22 ILE 76 HG22 ILE 76 7.742 3.265 -0.582 572 HG23 ILE 76 HG23 ILE 76 6.086 2.854 -1.026 573 HD11 ILE 76 HD11 ILE 76 3.670 0.493 0.302 574 HD12 ILE 76 HD12 ILE 76 4.441 1.788 -0.646 575 HD13 ILE 76 HD13 ILE 76 4.094 2.030 1.069 576 H LEU 77 HN LEU 77 8.068 3.542 2.586 577 HA LEU 77 HA LEU 77 9.852 5.118 1.158 578 HB2 LEU 77 HB2 LEU 77 8.196 6.024 2.626 579 HB3 LEU 77 HB1 LEU 77 8.964 5.205 3.967 580 HG LEU 77 HG LEU 77 10.882 6.730 3.827 581 HD11 LEU 77 HD11 LEU 77 10.838 7.174 1.433 582 HD12 LEU 77 HD12 LEU 77 10.815 8.676 2.355 583 HD13 LEU 77 HD13 LEU 77 9.332 8.072 1.616 584 HD21 LEU 77 HD21 LEU 77 9.753 8.753 4.590 585 HD22 LEU 77 HD22 LEU 77 8.988 7.305 5.251 586 HD23 LEU 77 HD23 LEU 77 8.235 8.167 3.910 587 H ASP 78 HN ASP 78 10.422 2.862 3.718 588 HA ASP 78 HA ASP 78 13.103 3.807 4.246 589 HB2 ASP 78 HB2 ASP 78 11.912 2.702 6.046 590 HB3 ASP 78 HB1 ASP 78 11.762 1.231 5.092 591 H HIS 79 HN HIS 79 11.711 1.233 2.338 592 HA HIS 79 HA HIS 79 14.375 0.214 1.708 593 HB2 HIS 79 HB2 HIS 79 11.639 -0.957 1.243 594 HB3 HIS 79 HB1 HIS 79 13.102 -1.662 0.572 595 HD1 HIS 79 HD1 HIS 79 14.188 -3.374 1.996 596 HD2 HIS 79 HD2 HIS 79 11.793 -0.817 4.226 597 HE1 HIS 79 HE1 HIS 79 14.210 -4.285 4.331 598 HE2 HIS 79 HE2 HIS 79 12.624 -2.833 5.616 599 H GLN 80 HN GLN 80 12.645 2.588 0.438 600 HA GLN 80 HA GLN 80 13.166 1.810 -2.343 601 HB2 GLN 80 HB2 GLN 80 11.702 3.588 -3.010 602 HB3 GLN 80 HB1 GLN 80 10.886 2.601 -1.804 603 HG2 GLN 80 HG2 GLN 80 11.383 4.246 -0.090 604 HG3 GLN 80 HG1 GLN 80 12.252 5.227 -1.264 605 HE21 GLN 80 HE21 GLN 80 9.356 3.539 -2.034 606 HE22 GLN 80 HE22 GLN 80 8.341 4.933 -2.173 607 H ALA 81 HN ALA 81 13.968 3.493 -3.762 608 HA ALA 81 HA ALA 81 15.157 5.870 -2.914 609 HB1 ALA 81 HB1 ALA 81 16.887 4.366 -2.026 610 HB2 ALA 81 HB2 ALA 81 17.498 5.259 -3.425 611 HB3 ALA 81 HB3 ALA 81 17.007 3.568 -3.598 612 H28 SXO 101 H28B SXO 101 -6.043 -11.271 4.856 613 H28A SXO 101 H28A SXO 101 -6.125 -11.552 3.115 614 H30 SXO 101 H30A SXO 101 -5.423 -14.720 5.814 615 H30A SXO 101 H30C SXO 101 -5.675 -13.039 6.335 616 H30B SXO 101 H30B SXO 101 -7.021 -13.947 5.612 617 H31 SXO 101 H31A SXO 101 -5.380 -15.181 3.333 618 H31A SXO 101 H31B SXO 101 -5.692 -13.824 2.238 619 H31B SXO 101 H31C SXO 101 -6.993 -14.452 3.253 620 H32 SXO 101 H32A SXO 101 -3.734 -12.282 4.985 621 HO33 SXO 101 H33A SXO 101 -2.851 -14.481 3.817 622 HN36 SXO 101 H36A SXO 101 -4.529 -11.049 2.920 623 H37 SXO 101 H37A SXO 101 -2.701 -11.658 0.673 624 H37A SXO 101 H37B SXO 101 -4.281 -10.919 0.497 625 H38 SXO 101 H38B SXO 101 -2.637 -9.186 0.285 626 H38A SXO 101 H38A SXO 101 -1.880 -9.682 1.808 627 HN41 SXO 101 H41A SXO 101 -3.126 -9.517 3.755 628 H42 SXO 101 H42A SXO 101 -4.023 -6.965 4.249 629 H42A SXO 101 H42B SXO 101 -5.446 -7.932 4.054 630 H43 SXO 101 H43B SXO 101 -4.869 -7.943 6.347 631 H43A SXO 101 H43A SXO 101 -4.461 -9.542 5.688 632 H2 SXO 101 H2A SXO 101 -0.483 -6.694 5.839 633 H2A SXO 101 H2B SXO 101 -0.959 -5.203 6.665 634 H3 SXO 101 H3B SXO 101 -1.491 -5.885 3.779 635 H3A SXO 101 H3A SXO 101 -1.943 -4.386 4.590 636 H4 SXO 101 H4A SXO 101 0.873 -5.400 4.232 637 H4A SXO 101 H4B SXO 101 0.405 -3.875 4.991 638 H5 SXO 101 H5B SXO 101 -0.118 -4.675 2.141 639 H5A SXO 101 H5A SXO 101 -0.623 -3.162 2.891 640 H6 SXO 101 H6A SXO 101 2.209 -4.108 2.494 641 H6A SXO 101 H6B SXO 101 1.728 -2.597 3.285 642 H7 SXO 101 H7A SXO 101 0.646 -1.863 1.211 643 H7A SXO 101 H7B SXO 101 1.166 -3.367 0.423 644 H8 SXO 101 H8C SXO 101 3.490 -2.766 0.861 645 H8A SXO 101 H8A SXO 101 2.960 -1.279 1.647 646 H8B SXO 101 H8B SXO 101 2.674 -1.517 -0.078 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 13.082 9.944 -4.707 2 H2 ALA 1 HT2 ALA 1 11.791 9.183 -5.501 3 H3 ALA 1 HT3 ALA 1 13.224 8.317 -5.188 4 HA ALA 1 HA ALA 1 11.500 7.675 -3.700 5 HB1 ALA 1 HB1 ALA 1 13.548 9.411 -2.332 6 HB2 ALA 1 HB2 ALA 1 13.783 7.738 -2.834 7 HB3 ALA 1 HB3 ALA 1 12.601 8.124 -1.582 8 H ALA 2 HN ALA 2 9.621 8.219 -3.023 9 HA ALA 2 HA ALA 2 8.951 11.045 -2.531 10 HB1 ALA 2 HB1 ALA 2 6.637 10.304 -2.836 11 HB2 ALA 2 HB2 ALA 2 7.182 8.637 -2.999 12 HB3 ALA 2 HB3 ALA 2 7.616 9.830 -4.223 13 H THR 3 HN THR 3 7.719 11.496 -0.551 14 HA THR 3 HA THR 3 8.586 9.616 1.468 15 HB THR 3 HB THR 3 7.210 12.134 2.286 16 HG1 THR 3 HG1 THR 3 9.864 12.114 1.218 17 HG21 THR 3 HG21 THR 3 9.089 12.215 3.893 18 HG22 THR 3 HG22 THR 3 9.807 10.808 3.104 19 HG23 THR 3 HG23 THR 3 8.279 10.650 3.962 20 H GLN 4 HN GLN 4 6.832 9.734 3.494 21 HA GLN 4 HA GLN 4 5.072 7.750 2.921 22 HB2 GLN 4 HB2 GLN 4 5.647 8.210 5.172 23 HB3 GLN 4 HB1 GLN 4 5.014 9.845 5.081 24 HG2 GLN 4 HG2 GLN 4 2.762 8.996 4.922 25 HG3 GLN 4 HG1 GLN 4 3.361 7.341 4.908 26 HE21 GLN 4 HE21 GLN 4 3.979 6.400 6.794 27 HE22 GLN 4 HE22 GLN 4 3.701 7.115 8.339 28 H GLU 5 HN GLU 5 4.341 11.171 3.020 29 HA GLU 5 HA GLU 5 1.581 11.039 2.626 30 HB2 GLU 5 HB2 GLU 5 3.227 13.271 1.481 31 HB3 GLU 5 HB1 GLU 5 1.640 13.345 2.219 32 HG2 GLU 5 HG2 GLU 5 2.960 14.349 3.815 33 HG3 GLU 5 HG1 GLU 5 2.913 12.685 4.398 34 H GLU 6 HN GLU 6 4.157 11.604 0.290 35 HA GLU 6 HA GLU 6 2.498 11.607 -1.995 36 HB2 GLU 6 HB2 GLU 6 5.437 11.147 -1.675 37 HB3 GLU 6 HB1 GLU 6 4.649 11.398 -3.239 38 HG2 GLU 6 HG2 GLU 6 4.847 13.331 -0.941 39 HG3 GLU 6 HG1 GLU 6 5.721 13.414 -2.470 40 H ILE 7 HN ILE 7 4.203 9.128 -0.245 41 HA ILE 7 HA ILE 7 4.016 7.172 -2.169 42 HB ILE 7 HB ILE 7 4.286 6.904 0.831 43 HG12 ILE 7 HG12 ILE 7 6.223 7.816 -0.340 44 HG13 ILE 7 HG11 ILE 7 6.584 6.199 0.252 45 HG21 ILE 7 HG21 ILE 7 3.143 4.894 0.051 46 HG22 ILE 7 HG22 ILE 7 4.807 4.526 0.510 47 HG23 ILE 7 HG23 ILE 7 4.375 4.665 -1.192 48 HD11 ILE 7 HD11 ILE 7 6.310 5.291 -1.992 49 HD12 ILE 7 HD12 ILE 7 7.467 6.623 -2.042 50 HD13 ILE 7 HD13 ILE 7 5.818 6.867 -2.587 51 H VAL 8 HN VAL 8 1.905 7.951 0.622 52 HA VAL 8 HA VAL 8 -0.105 6.036 0.203 53 HB VAL 8 HB VAL 8 -0.337 8.815 1.438 54 HG11 VAL 8 HG11 VAL 8 -2.415 8.026 2.476 55 HG12 VAL 8 HG12 VAL 8 -2.298 6.517 1.572 56 HG13 VAL 8 HG13 VAL 8 -2.547 8.039 0.718 57 HG21 VAL 8 HG21 VAL 8 -0.093 6.088 2.687 58 HG22 VAL 8 HG22 VAL 8 -0.302 7.604 3.557 59 HG23 VAL 8 HG23 VAL 8 1.173 7.318 2.625 60 H ALA 9 HN ALA 9 0.301 9.254 -1.151 61 HA ALA 9 HA ALA 9 -2.085 9.455 -2.596 62 HB1 ALA 9 HB1 ALA 9 0.637 10.490 -3.353 63 HB2 ALA 9 HB2 ALA 9 -0.516 11.316 -2.302 64 HB3 ALA 9 HB3 ALA 9 -0.897 11.062 -4.011 65 H GLY 10 HN GLY 10 0.943 7.836 -3.370 66 HA2 GLY 10 HA2 GLY 10 0.156 7.089 -6.026 67 HA3 GLY 10 HA1 GLY 10 1.548 6.469 -5.140 68 H LEU 11 HN LEU 11 0.204 5.526 -2.868 69 HA LEU 11 HA LEU 11 -0.507 2.914 -3.544 70 HB2 LEU 11 HB2 LEU 11 -1.280 4.521 -1.106 71 HB3 LEU 11 HB1 LEU 11 -1.568 2.804 -1.271 72 HG LEU 11 HG LEU 11 1.164 4.068 -1.313 73 HD11 LEU 11 HD11 LEU 11 0.097 4.378 0.875 74 HD12 LEU 11 HD12 LEU 11 1.370 3.160 0.982 75 HD13 LEU 11 HD13 LEU 11 -0.322 2.670 0.920 76 HD21 LEU 11 HD21 LEU 11 0.986 1.910 -2.464 77 HD22 LEU 11 HD22 LEU 11 0.276 1.197 -1.015 78 HD23 LEU 11 HD23 LEU 11 1.940 1.779 -0.986 79 H ALA 12 HN ALA 12 -2.539 5.700 -2.913 80 HA ALA 12 HA ALA 12 -4.978 4.335 -3.117 81 HB1 ALA 12 HB1 ALA 12 -6.032 6.439 -3.203 82 HB2 ALA 12 HB2 ALA 12 -4.500 7.260 -3.561 83 HB3 ALA 12 HB3 ALA 12 -4.753 6.471 -1.989 84 H GLU 13 HN GLU 13 -2.819 5.412 -5.628 85 HA GLU 13 HA GLU 13 -4.726 5.702 -7.712 86 HB2 GLU 13 HB2 GLU 13 -1.953 4.538 -7.979 87 HB3 GLU 13 HB1 GLU 13 -2.948 5.164 -9.271 88 HG2 GLU 13 HG2 GLU 13 -2.725 7.412 -8.265 89 HG3 GLU 13 HG1 GLU 13 -1.613 6.720 -7.080 90 H ILE 14 HN ILE 14 -2.762 2.974 -6.659 91 HA ILE 14 HA ILE 14 -4.020 1.199 -8.482 92 HB ILE 14 HB ILE 14 -2.611 0.202 -5.991 93 HG12 ILE 14 HG12 ILE 14 -0.590 -0.046 -7.661 94 HG13 ILE 14 HG11 ILE 14 -1.351 1.297 -8.499 95 HG21 ILE 14 HG21 ILE 14 -2.998 -0.904 -8.752 96 HG22 ILE 14 HG22 ILE 14 -3.806 -1.427 -7.269 97 HG23 ILE 14 HG23 ILE 14 -2.069 -1.693 -7.477 98 HD11 ILE 14 HD11 ILE 14 -1.106 2.694 -6.529 99 HD12 ILE 14 HD12 ILE 14 0.454 1.981 -6.952 100 HD13 ILE 14 HD13 ILE 14 -0.483 1.323 -5.622 101 H VAL 15 HN VAL 15 -4.448 1.955 -5.069 102 HA VAL 15 HA VAL 15 -6.326 -0.069 -4.632 103 HB VAL 15 HB VAL 15 -5.961 2.519 -3.067 104 HG11 VAL 15 HG11 VAL 15 -7.407 -0.010 -2.291 105 HG12 VAL 15 HG12 VAL 15 -8.192 1.499 -2.733 106 HG13 VAL 15 HG13 VAL 15 -7.185 1.418 -1.281 107 HG21 VAL 15 HG21 VAL 15 -4.813 1.103 -1.468 108 HG22 VAL 15 HG22 VAL 15 -4.008 1.037 -3.045 109 HG23 VAL 15 HG23 VAL 15 -5.051 -0.290 -2.513 110 H ASN 16 HN ASN 16 -6.757 3.215 -5.840 111 HA ASN 16 HA ASN 16 -9.608 3.079 -5.939 112 HB2 ASN 16 HB2 ASN 16 -8.531 5.265 -5.949 113 HB3 ASN 16 HB1 ASN 16 -7.633 4.855 -7.399 114 HD21 ASN 16 HD21 ASN 16 -10.766 5.775 -6.122 115 HD22 ASN 16 HD22 ASN 16 -11.479 6.136 -7.638 116 H GLU 17 HN GLU 17 -7.021 2.370 -8.189 117 HA GLU 17 HA GLU 17 -8.522 1.846 -10.489 118 HB2 GLU 17 HB2 GLU 17 -6.045 2.149 -10.327 119 HB3 GLU 17 HB1 GLU 17 -5.935 0.568 -9.582 120 HG2 GLU 17 HG2 GLU 17 -6.833 -0.428 -11.647 121 HG3 GLU 17 HG1 GLU 17 -6.840 1.175 -12.384 122 H ILE 18 HN ILE 18 -7.436 -0.272 -7.881 123 HA ILE 18 HA ILE 18 -8.561 -2.667 -9.000 124 HB ILE 18 HB ILE 18 -7.278 -2.019 -6.356 125 HG12 ILE 18 HG12 ILE 18 -5.813 -1.925 -8.226 126 HG13 ILE 18 HG11 ILE 18 -5.395 -3.328 -7.240 127 HG21 ILE 18 HG21 ILE 18 -7.134 -4.405 -5.876 128 HG22 ILE 18 HG22 ILE 18 -8.154 -4.749 -7.279 129 HG23 ILE 18 HG23 ILE 18 -8.797 -3.819 -5.920 130 HD11 ILE 18 HD11 ILE 18 -6.934 -3.350 -9.836 131 HD12 ILE 18 HD12 ILE 18 -6.579 -4.771 -8.853 132 HD13 ILE 18 HD13 ILE 18 -5.264 -3.869 -9.607 133 H ALA 19 HN ALA 19 -9.322 -0.733 -6.075 134 HA ALA 19 HA ALA 19 -11.745 -2.366 -5.837 135 HB1 ALA 19 HB1 ALA 19 -11.748 -1.797 -3.485 136 HB2 ALA 19 HB2 ALA 19 -10.356 -0.742 -3.721 137 HB3 ALA 19 HB3 ALA 19 -10.193 -2.481 -3.957 138 H GLY 20 HN GLY 20 -10.617 0.917 -5.892 139 HA2 GLY 20 HA2 GLY 20 -11.895 2.703 -6.834 140 HA3 GLY 20 HA1 GLY 20 -13.345 1.737 -6.596 141 H ILE 21 HN ILE 21 -10.783 3.225 -4.689 142 HA ILE 21 HA ILE 21 -12.770 3.958 -2.670 143 HB ILE 21 HB ILE 21 -10.703 4.507 -1.274 144 HG12 ILE 21 HG12 ILE 21 -8.663 3.110 -1.904 145 HG13 ILE 21 HG11 ILE 21 -9.351 2.985 -3.506 146 HG21 ILE 21 HG21 ILE 21 -11.197 1.650 -2.034 147 HG22 ILE 21 HG22 ILE 21 -12.050 2.593 -0.811 148 HG23 ILE 21 HG23 ILE 21 -10.344 2.196 -0.589 149 HD11 ILE 21 HD11 ILE 21 -8.478 5.520 -2.126 150 HD12 ILE 21 HD12 ILE 21 -9.171 5.423 -3.746 151 HD13 ILE 21 HD13 ILE 21 -7.611 4.674 -3.408 152 HA PRO 22 HA PRO 22 -12.129 8.252 -3.671 153 HB2 PRO 22 HB2 PRO 22 -12.290 8.954 -0.815 154 HB3 PRO 22 HB1 PRO 22 -13.426 9.349 -2.108 155 HG2 PRO 22 HG2 PRO 22 -14.015 7.587 -0.141 156 HG3 PRO 22 HG1 PRO 22 -14.662 7.437 -1.785 157 HD2 PRO 22 HD2 PRO 22 -12.391 5.978 -0.497 158 HD3 PRO 22 HD1 PRO 22 -13.656 5.358 -1.579 159 H VAL 23 HN VAL 23 -10.233 9.429 -3.863 160 HA VAL 23 HA VAL 23 -7.875 8.271 -2.872 161 HB VAL 23 HB VAL 23 -8.132 9.408 -5.058 162 HG11 VAL 23 HG11 VAL 23 -7.946 11.852 -5.205 163 HG12 VAL 23 HG12 VAL 23 -8.088 11.934 -3.442 164 HG13 VAL 23 HG13 VAL 23 -9.426 11.312 -4.397 165 HG21 VAL 23 HG21 VAL 23 -5.941 10.448 -3.300 166 HG22 VAL 23 HG22 VAL 23 -5.931 10.459 -5.073 167 HG23 VAL 23 HG23 VAL 23 -5.958 8.922 -4.190 168 H GLU 24 HN GLU 24 -9.916 10.731 -1.621 169 HA GLU 24 HA GLU 24 -7.866 11.722 0.174 170 HB2 GLU 24 HB2 GLU 24 -9.623 13.310 0.965 171 HB3 GLU 24 HB1 GLU 24 -9.241 13.456 -0.739 172 HG2 GLU 24 HG2 GLU 24 -11.601 11.869 0.220 173 HG3 GLU 24 HG1 GLU 24 -11.689 13.611 -0.014 174 H ASP 25 HN ASP 25 -9.898 9.156 0.129 175 HA ASP 25 HA ASP 25 -10.732 9.248 2.903 176 HB2 ASP 25 HB2 ASP 25 -12.070 8.148 1.092 177 HB3 ASP 25 HB1 ASP 25 -10.805 6.950 0.947 178 H VAL 26 HN VAL 26 -8.264 7.857 0.934 179 HA VAL 26 HA VAL 26 -7.188 6.095 2.939 180 HB VAL 26 HB VAL 26 -5.907 7.015 0.347 181 HG11 VAL 26 HG11 VAL 26 -4.599 4.944 0.531 182 HG12 VAL 26 HG12 VAL 26 -5.375 4.595 2.076 183 HG13 VAL 26 HG13 VAL 26 -4.328 6.005 1.914 184 HG21 VAL 26 HG21 VAL 26 -8.074 6.001 -0.088 185 HG22 VAL 26 HG22 VAL 26 -7.629 4.599 0.885 186 HG23 VAL 26 HG23 VAL 26 -6.773 4.936 -0.620 187 H LYS 27 HN LYS 27 -6.804 7.366 4.638 188 HA LYS 27 HA LYS 27 -4.506 9.174 4.438 189 HB2 LYS 27 HB2 LYS 27 -6.699 9.055 6.521 190 HB3 LYS 27 HB1 LYS 27 -5.309 10.132 6.589 191 HG2 LYS 27 HG2 LYS 27 -7.465 10.144 4.481 192 HG3 LYS 27 HG1 LYS 27 -7.273 11.314 5.791 193 HD2 LYS 27 HD2 LYS 27 -5.126 12.004 4.885 194 HD3 LYS 27 HD1 LYS 27 -5.254 10.790 3.613 195 HE2 LYS 27 HE2 LYS 27 -7.266 11.918 2.771 196 HE3 LYS 27 HE1 LYS 27 -7.085 13.152 4.022 197 HZ1 LYS 27 HZ1 LYS 27 -5.101 12.536 1.915 198 HZ2 LYS 27 HZ2 LYS 27 -4.992 13.799 3.070 199 HZ3 LYS 27 HZ3 LYS 27 -6.175 13.831 1.862 200 H LEU 28 HN LEU 28 -3.466 9.119 6.936 201 HA LEU 28 HA LEU 28 -2.210 6.591 6.787 202 HB2 LEU 28 HB2 LEU 28 -1.783 8.921 8.604 203 HB3 LEU 28 HB1 LEU 28 -0.965 7.401 8.894 204 HG LEU 28 HG LEU 28 0.553 8.783 7.738 205 HD11 LEU 28 HD11 LEU 28 0.568 6.498 7.036 206 HD12 LEU 28 HD12 LEU 28 0.981 7.555 5.686 207 HD13 LEU 28 HD13 LEU 28 -0.628 6.840 5.786 208 HD21 LEU 28 HD21 LEU 28 0.104 9.820 5.557 209 HD22 LEU 28 HD22 LEU 28 -0.982 10.435 6.804 210 HD23 LEU 28 HD23 LEU 28 -1.565 9.248 5.636 211 H ASP 29 HN ASP 29 -4.907 7.465 8.594 212 HA ASP 29 HA ASP 29 -4.462 5.341 10.533 213 HB2 ASP 29 HB2 ASP 29 -6.590 6.026 11.570 214 HB3 ASP 29 HB1 ASP 29 -5.477 7.371 11.406 215 H LYS 30 HN LYS 30 -5.065 5.079 7.542 216 HA LYS 30 HA LYS 30 -7.356 3.262 7.739 217 HB2 LYS 30 HB2 LYS 30 -5.937 4.243 5.257 218 HB3 LYS 30 HB1 LYS 30 -7.453 3.367 5.328 219 HG2 LYS 30 HG2 LYS 30 -7.046 6.116 6.480 220 HG3 LYS 30 HG1 LYS 30 -7.646 5.810 4.859 221 HD2 LYS 30 HD2 LYS 30 -8.971 4.777 7.357 222 HD3 LYS 30 HD1 LYS 30 -9.397 6.307 6.583 223 HE2 LYS 30 HE2 LYS 30 -9.857 5.025 4.492 224 HE3 LYS 30 HE1 LYS 30 -9.599 3.542 5.409 225 HZ1 LYS 30 HZ1 LYS 30 -11.635 5.604 5.977 226 HZ2 LYS 30 HZ2 LYS 30 -11.471 4.179 6.858 227 HZ3 LYS 30 HZ3 LYS 30 -11.953 4.139 5.232 228 H SER 31 HN SER 31 -7.096 1.143 7.335 229 HA SER 31 HA SER 31 -4.475 0.123 6.595 230 HB2 SER 31 HB2 SER 31 -5.433 -1.993 7.656 231 HB3 SER 31 HB1 SER 31 -5.032 -0.669 8.750 232 HG SER 31 HG SER 31 -7.238 -0.137 8.854 233 H PHE 32 HN PHE 32 -4.694 -1.930 5.156 234 HA PHE 32 HA PHE 32 -6.145 -0.917 2.924 235 HB2 PHE 32 HB2 PHE 32 -4.389 -3.325 3.233 236 HB3 PHE 32 HB1 PHE 32 -5.149 -2.849 1.717 237 HD1 PHE 32 HD1 PHE 32 -2.591 -2.033 4.200 238 HD2 PHE 32 HD2 PHE 32 -4.368 -0.907 0.501 239 HE1 PHE 32 HE1 PHE 32 -0.707 -0.517 3.763 240 HE2 PHE 32 HE2 PHE 32 -2.483 0.609 0.056 241 HZ PHE 32 HZ PHE 32 -0.624 0.752 1.632 242 H THR 33 HN THR 33 -6.666 -3.645 5.070 243 HA THR 33 HA THR 33 -9.028 -4.086 3.449 244 HB THR 33 HB THR 33 -7.447 -5.831 3.031 245 HG1 THR 33 HG1 THR 33 -9.772 -6.310 3.320 246 HG21 THR 33 HG21 THR 33 -6.145 -5.807 5.071 247 HG22 THR 33 HG22 THR 33 -6.735 -7.443 4.781 248 HG23 THR 33 HG23 THR 33 -7.517 -6.425 5.990 249 H ASP 34 HN ASP 34 -8.282 -2.741 6.133 250 HA ASP 34 HA ASP 34 -10.617 -3.905 7.464 251 HB2 ASP 34 HB2 ASP 34 -8.591 -4.245 8.810 252 HB3 ASP 34 HB1 ASP 34 -8.355 -2.499 8.879 253 H ASP 35 HN ASP 35 -8.895 -0.847 7.104 254 HA ASP 35 HA ASP 35 -11.387 0.561 7.707 255 HB2 ASP 35 HB2 ASP 35 -8.744 1.750 6.876 256 HB3 ASP 35 HB1 ASP 35 -10.146 2.626 7.388 257 H LEU 36 HN LEU 36 -9.624 -0.524 5.003 258 HA LEU 36 HA LEU 36 -11.165 1.216 3.260 259 HB2 LEU 36 HB2 LEU 36 -8.824 -0.605 2.696 260 HB3 LEU 36 HB1 LEU 36 -9.691 0.297 1.472 261 HG LEU 36 HG LEU 36 -8.120 1.512 3.742 262 HD11 LEU 36 HD11 LEU 36 -6.688 0.444 2.054 263 HD12 LEU 36 HD12 LEU 36 -6.561 2.199 1.987 264 HD13 LEU 36 HD13 LEU 36 -7.524 1.340 0.786 265 HD21 LEU 36 HD21 LEU 36 -8.507 3.616 2.565 266 HD22 LEU 36 HD22 LEU 36 -10.022 2.855 3.069 267 HD23 LEU 36 HD23 LEU 36 -9.506 2.760 1.383 268 H ASP 37 HN ASP 37 -11.824 -0.030 1.181 269 HA ASP 37 HA ASP 37 -13.494 -2.248 2.167 270 HB2 ASP 37 HB2 ASP 37 -14.622 -0.235 1.177 271 HB3 ASP 37 HB1 ASP 37 -13.816 -0.579 -0.346 272 H VAL 38 HN VAL 38 -10.696 -2.104 1.116 273 HA VAL 38 HA VAL 38 -10.710 -3.648 -1.330 274 HB VAL 38 HB VAL 38 -8.389 -2.894 0.441 275 HG11 VAL 38 HG11 VAL 38 -7.060 -3.113 -1.610 276 HG12 VAL 38 HG12 VAL 38 -8.504 -3.619 -2.485 277 HG13 VAL 38 HG13 VAL 38 -7.869 -4.622 -1.182 278 HG21 VAL 38 HG21 VAL 38 -9.603 -0.895 -0.140 279 HG22 VAL 38 HG22 VAL 38 -9.580 -1.349 -1.845 280 HG23 VAL 38 HG23 VAL 38 -8.074 -0.959 -1.013 281 H ASP 39 HN ASP 39 -11.140 -5.760 -1.074 282 HA ASP 39 HA ASP 39 -10.671 -7.250 1.270 283 HB2 ASP 39 HB2 ASP 39 -10.791 -8.232 -1.600 284 HB3 ASP 39 HB1 ASP 39 -10.859 -9.260 -0.175 285 H SER 40 HN SER 40 -8.933 -8.562 1.822 286 HA SER 40 HA SER 40 -6.470 -7.448 1.233 287 HB2 SER 40 HB2 SER 40 -5.623 -9.382 2.548 288 HB3 SER 40 HB1 SER 40 -6.914 -8.399 3.272 289 H LEU 41 HN LEU 41 -7.980 -10.390 0.058 290 HA LEU 41 HA LEU 41 -5.740 -11.252 -1.302 291 HB2 LEU 41 HB2 LEU 41 -8.646 -11.902 -1.787 292 HB3 LEU 41 HB1 LEU 41 -7.384 -12.598 -2.778 293 HG LEU 41 HG LEU 41 -6.384 -13.499 -0.614 294 HD11 LEU 41 HD11 LEU 41 -9.105 -12.821 0.463 295 HD12 LEU 41 HD12 LEU 41 -7.556 -12.163 1.001 296 HD13 LEU 41 HD13 LEU 41 -7.921 -13.871 1.239 297 HD21 LEU 41 HD21 LEU 41 -7.489 -14.914 -2.235 298 HD22 LEU 41 HD22 LEU 41 -9.059 -14.525 -1.531 299 HD23 LEU 41 HD23 LEU 41 -7.875 -15.437 -0.596 300 H SER 42 HN SER 42 -7.992 -8.770 -1.956 301 HA SER 42 HA SER 42 -7.485 -8.477 -4.761 302 HB2 SER 42 HB2 SER 42 -8.835 -6.739 -2.735 303 HB3 SER 42 HB1 SER 42 -8.877 -6.452 -4.488 304 HG SER 42 HG SER 42 -10.651 -7.533 -4.170 305 H MET 43 HN MET 43 -6.328 -7.113 -1.701 306 HA MET 43 HA MET 43 -4.878 -4.936 -2.835 307 HB2 MET 43 HB2 MET 43 -5.399 -5.210 -0.353 308 HB3 MET 43 HB1 MET 43 -4.077 -6.377 -0.300 309 HG2 MET 43 HG2 MET 43 -2.764 -4.417 -1.490 310 HG3 MET 43 HG1 MET 43 -3.994 -3.430 -0.716 311 HE1 MET 43 HE1 MET 43 -2.191 -6.742 0.512 312 HE2 MET 43 HE2 MET 43 -0.910 -6.019 1.475 313 HE3 MET 43 HE3 MET 43 -0.930 -5.780 -0.269 314 H VAL 44 HN VAL 44 -4.306 -8.263 -2.690 315 HA VAL 44 HA VAL 44 -1.528 -8.291 -3.076 316 HB VAL 44 HB VAL 44 -3.471 -10.287 -4.294 317 HG11 VAL 44 HG11 VAL 44 -1.615 -11.881 -4.140 318 HG12 VAL 44 HG12 VAL 44 -0.566 -10.597 -3.540 319 HG13 VAL 44 HG13 VAL 44 -1.220 -10.508 -5.175 320 HG21 VAL 44 HG21 VAL 44 -3.141 -11.622 -2.252 321 HG22 VAL 44 HG22 VAL 44 -3.922 -10.075 -1.936 322 HG23 VAL 44 HG23 VAL 44 -2.215 -10.292 -1.547 323 H GLU 45 HN GLU 45 -4.083 -7.379 -5.244 324 HA GLU 45 HA GLU 45 -2.480 -7.473 -7.643 325 HB2 GLU 45 HB2 GLU 45 -5.033 -5.968 -7.049 326 HB3 GLU 45 HB1 GLU 45 -4.335 -6.228 -8.639 327 HG2 GLU 45 HG2 GLU 45 -5.373 -8.369 -6.810 328 HG3 GLU 45 HG1 GLU 45 -6.228 -7.694 -8.196 329 H VAL 46 HN VAL 46 -2.974 -5.401 -5.014 330 HA VAL 46 HA VAL 46 -2.211 -2.930 -6.284 331 HB VAL 46 HB VAL 46 -2.632 -3.592 -3.348 332 HG11 VAL 46 HG11 VAL 46 -2.778 -1.170 -2.987 333 HG12 VAL 46 HG12 VAL 46 -2.352 -0.895 -4.678 334 HG13 VAL 46 HG13 VAL 46 -1.189 -1.643 -3.586 335 HG21 VAL 46 HG21 VAL 46 -4.677 -3.847 -4.644 336 HG22 VAL 46 HG22 VAL 46 -4.466 -2.235 -5.327 337 HG23 VAL 46 HG23 VAL 46 -4.781 -2.429 -3.602 338 H VAL 47 HN VAL 47 -0.867 -5.118 -3.848 339 HA VAL 47 HA VAL 47 1.493 -3.796 -3.332 340 HB VAL 47 HB VAL 47 0.984 -5.644 -1.897 341 HG11 VAL 47 HG11 VAL 47 1.337 -7.462 -4.273 342 HG12 VAL 47 HG12 VAL 47 -0.191 -7.079 -3.479 343 HG13 VAL 47 HG13 VAL 47 1.053 -7.979 -2.611 344 HG21 VAL 47 HG21 VAL 47 3.345 -5.187 -2.126 345 HG22 VAL 47 HG22 VAL 47 3.412 -6.271 -3.516 346 HG23 VAL 47 HG23 VAL 47 3.087 -6.929 -1.904 347 H VAL 48 HN VAL 48 1.123 -6.235 -5.913 348 HA VAL 48 HA VAL 48 3.763 -6.304 -6.895 349 HB VAL 48 HB VAL 48 1.751 -6.045 -8.933 350 HG11 VAL 48 HG11 VAL 48 2.652 -8.187 -9.774 351 HG12 VAL 48 HG12 VAL 48 3.717 -8.227 -8.368 352 HG13 VAL 48 HG13 VAL 48 3.852 -6.915 -9.542 353 HG21 VAL 48 HG21 VAL 48 0.301 -6.877 -7.402 354 HG22 VAL 48 HG22 VAL 48 1.364 -8.224 -6.926 355 HG23 VAL 48 HG23 VAL 48 0.619 -8.173 -8.552 356 H ALA 49 HN ALA 49 1.000 -4.355 -7.797 357 HA ALA 49 HA ALA 49 2.225 -2.962 -9.757 358 HB1 ALA 49 HB1 ALA 49 -0.162 -3.175 -9.648 359 HB2 ALA 49 HB2 ALA 49 0.260 -1.463 -9.704 360 HB3 ALA 49 HB3 ALA 49 -0.220 -2.205 -8.176 361 H ALA 50 HN ALA 50 2.012 -2.462 -6.345 362 HA ALA 50 HA ALA 50 2.796 0.268 -6.280 363 HB1 ALA 50 HB1 ALA 50 2.917 -1.776 -4.059 364 HB2 ALA 50 HB2 ALA 50 1.523 -0.767 -4.439 365 HB3 ALA 50 HB3 ALA 50 3.019 -0.025 -3.874 366 H GLU 51 HN GLU 51 4.534 -2.784 -6.015 367 HA GLU 51 HA GLU 51 7.022 -1.832 -5.228 368 HB2 GLU 51 HB2 GLU 51 6.503 -4.043 -7.221 369 HB3 GLU 51 HB1 GLU 51 7.997 -3.772 -6.346 370 HG2 GLU 51 HG2 GLU 51 6.808 -4.214 -4.242 371 HG3 GLU 51 HG1 GLU 51 5.353 -4.567 -5.175 372 H GLU 52 HN GLU 52 5.705 -2.152 -8.484 373 HA GLU 52 HA GLU 52 8.031 -1.122 -9.727 374 HB2 GLU 52 HB2 GLU 52 6.643 -0.981 -11.777 375 HB3 GLU 52 HB1 GLU 52 6.635 -2.561 -11.011 376 HG2 GLU 52 HG2 GLU 52 4.438 -2.023 -10.007 377 HG3 GLU 52 HG1 GLU 52 4.500 -0.476 -10.819 378 H ARG 53 HN ARG 53 4.947 0.427 -8.816 379 HA ARG 53 HA ARG 53 5.582 2.828 -10.170 380 HB2 ARG 53 HB2 ARG 53 3.594 2.442 -7.921 381 HB3 ARG 53 HB1 ARG 53 3.722 3.877 -8.924 382 HG2 ARG 53 HG2 ARG 53 3.234 2.422 -10.909 383 HG3 ARG 53 HG1 ARG 53 2.901 1.114 -9.779 384 HD2 ARG 53 HD2 ARG 53 1.177 2.592 -8.714 385 HD3 ARG 53 HD1 ARG 53 1.448 3.744 -10.019 386 HE ARG 53 HE ARG 53 0.837 1.083 -10.931 387 HH11 ARG 53 HH11 ARG 53 -0.619 4.261 -10.096 388 HH12 ARG 53 HH12 ARG 53 -2.123 3.836 -10.797 389 HH21 ARG 53 HH21 ARG 53 -1.237 0.577 -11.837 390 HH22 ARG 53 HH22 ARG 53 -2.507 1.682 -11.782 391 H PHE 54 HN PHE 54 6.172 1.775 -6.865 392 HA PHE 54 HA PHE 54 7.226 4.415 -6.243 393 HB2 PHE 54 HB2 PHE 54 6.916 2.011 -4.457 394 HB3 PHE 54 HB1 PHE 54 7.438 3.610 -3.939 395 HD1 PHE 54 HD2 PHE 54 5.772 5.516 -4.836 396 HD2 PHE 54 HD1 PHE 54 4.763 1.480 -4.024 397 HE1 PHE 54 HE2 PHE 54 3.449 6.175 -4.496 398 HE2 PHE 54 HE1 PHE 54 2.426 2.131 -3.688 399 HZ PHE 54 HZ PHE 54 1.755 4.444 -3.952 400 H ASP 55 HN ASP 55 8.413 1.772 -7.701 401 HA ASP 55 HA ASP 55 10.480 0.907 -8.157 402 HB2 ASP 55 HB2 ASP 55 11.306 3.544 -6.964 403 HB3 ASP 55 HB1 ASP 55 12.492 2.408 -7.608 404 H VAL 56 HN VAL 56 9.259 0.023 -5.893 405 HA VAL 56 HA VAL 56 11.490 -0.377 -4.041 406 HB VAL 56 HB VAL 56 9.660 1.181 -3.220 407 HG11 VAL 56 HG11 VAL 56 7.585 0.256 -2.341 408 HG12 VAL 56 HG12 VAL 56 7.975 -1.283 -3.091 409 HG13 VAL 56 HG13 VAL 56 7.711 0.144 -4.098 410 HG21 VAL 56 HG21 VAL 56 9.548 0.265 -0.924 411 HG22 VAL 56 HG22 VAL 56 11.174 0.182 -1.603 412 HG23 VAL 56 HG23 VAL 56 10.174 -1.270 -1.527 413 H LYS 57 HN LYS 57 10.485 -2.368 -2.472 414 HA LYS 57 HA LYS 57 9.346 -4.443 -4.156 415 HB2 LYS 57 HB2 LYS 57 11.830 -4.698 -2.428 416 HB3 LYS 57 HB1 LYS 57 10.933 -6.065 -3.067 417 HG2 LYS 57 HG2 LYS 57 11.472 -5.365 -5.335 418 HG3 LYS 57 HG1 LYS 57 12.353 -3.973 -4.695 419 HD2 LYS 57 HD2 LYS 57 13.921 -5.432 -3.586 420 HD3 LYS 57 HD1 LYS 57 12.998 -6.850 -4.082 421 HE2 LYS 57 HE2 LYS 57 14.318 -4.903 -5.964 422 HE3 LYS 57 HE1 LYS 57 15.008 -6.446 -5.467 423 HZ1 LYS 57 HZ1 LYS 57 13.951 -6.683 -7.575 424 HZ2 LYS 57 HZ2 LYS 57 12.487 -6.056 -7.014 425 HZ3 LYS 57 HZ3 LYS 57 13.024 -7.538 -6.451 426 H ILE 58 HN ILE 58 7.811 -5.483 -3.023 427 HA ILE 58 HA ILE 58 7.787 -5.135 -0.119 428 HB ILE 58 HB ILE 58 5.296 -4.768 -1.840 429 HG12 ILE 58 HG12 ILE 58 6.833 -2.647 -0.314 430 HG13 ILE 58 HG11 ILE 58 6.930 -2.870 -2.053 431 HG21 ILE 58 HG21 ILE 58 4.871 -5.692 0.389 432 HG22 ILE 58 HG22 ILE 58 4.266 -4.040 0.278 433 HG23 ILE 58 HG23 ILE 58 5.780 -4.371 1.123 434 HD11 ILE 58 HD11 ILE 58 4.450 -2.136 -0.513 435 HD12 ILE 58 HD12 ILE 58 4.563 -2.336 -2.263 436 HD13 ILE 58 HD13 ILE 58 5.446 -1.037 -1.467 437 HA PRO 59 HA PRO 59 7.339 -9.508 -1.339 438 HB2 PRO 59 HB2 PRO 59 8.429 -9.858 1.385 439 HB3 PRO 59 HB1 PRO 59 8.993 -10.533 -0.149 440 HG2 PRO 59 HG2 PRO 59 10.356 -8.606 1.066 441 HG3 PRO 59 HG1 PRO 59 10.184 -8.627 -0.702 442 HD2 PRO 59 HD2 PRO 59 8.680 -7.018 1.327 443 HD3 PRO 59 HD1 PRO 59 9.391 -6.494 -0.217 444 H ASP 60 HN ASP 60 5.833 -10.913 -0.830 445 HA ASP 60 HA ASP 60 3.514 -10.087 0.482 446 HB2 ASP 60 HB2 ASP 60 2.613 -12.332 0.106 447 HB3 ASP 60 HB1 ASP 60 3.438 -11.730 -1.321 448 H ASP 61 HN ASP 61 6.237 -11.746 1.852 449 HA ASP 61 HA ASP 61 4.781 -12.609 4.167 450 HB2 ASP 61 HB2 ASP 61 6.888 -13.224 5.149 451 HB3 ASP 61 HB1 ASP 61 6.980 -13.647 3.447 452 H ASP 62 HN ASP 62 6.779 -9.854 3.321 453 HA ASP 62 HA ASP 62 6.549 -8.609 5.847 454 HB2 ASP 62 HB2 ASP 62 7.429 -7.595 3.162 455 HB3 ASP 62 HB1 ASP 62 7.186 -6.477 4.499 456 H VAL 63 HN VAL 63 4.708 -8.515 2.946 457 HA VAL 63 HA VAL 63 2.851 -6.521 3.421 458 HB VAL 63 HB VAL 63 2.493 -9.271 2.180 459 HG11 VAL 63 HG11 VAL 63 0.310 -8.509 2.950 460 HG12 VAL 63 HG12 VAL 63 0.406 -8.422 1.192 461 HG13 VAL 63 HG13 VAL 63 0.570 -6.956 2.161 462 HG21 VAL 63 HG21 VAL 63 3.996 -7.776 1.002 463 HG22 VAL 63 HG22 VAL 63 2.757 -6.522 0.979 464 HG23 VAL 63 HG23 VAL 63 2.513 -8.020 0.079 465 H LYS 64 HN LYS 64 2.659 -9.920 4.450 466 HA LYS 64 HA LYS 64 0.265 -9.608 5.932 467 HB2 LYS 64 HB2 LYS 64 2.347 -11.780 6.022 468 HB3 LYS 64 HB1 LYS 64 0.825 -11.848 6.892 469 HG2 LYS 64 HG2 LYS 64 -0.364 -11.678 4.724 470 HG3 LYS 64 HG1 LYS 64 1.201 -11.755 3.908 471 HD2 LYS 64 HD2 LYS 64 0.143 -13.874 5.785 472 HD3 LYS 64 HD1 LYS 64 0.002 -13.940 4.032 473 HE2 LYS 64 HE2 LYS 64 2.601 -13.801 5.560 474 HE3 LYS 64 HE1 LYS 64 1.888 -15.283 4.919 475 HZ1 LYS 64 HZ1 LYS 64 3.538 -14.479 3.396 476 HZ2 LYS 64 HZ2 LYS 64 2.832 -12.945 3.342 477 HZ3 LYS 64 HZ3 LYS 64 2.027 -14.251 2.679 478 H ASN 65 HN ASN 65 3.389 -8.666 6.700 479 HA ASN 65 HA ASN 65 3.006 -8.937 9.574 480 HB2 ASN 65 HB2 ASN 65 5.227 -9.409 8.525 481 HB3 ASN 65 HB1 ASN 65 5.321 -7.724 8.043 482 HD21 ASN 65 HD21 ASN 65 5.502 -9.971 10.658 483 HD22 ASN 65 HD22 ASN 65 6.210 -8.909 11.816 484 H LEU 66 HN LEU 66 2.488 -6.683 7.046 485 HA LEU 66 HA LEU 66 2.630 -4.362 8.777 486 HB2 LEU 66 HB2 LEU 66 1.930 -4.663 5.857 487 HB3 LEU 66 HB1 LEU 66 2.073 -3.136 6.710 488 HG LEU 66 HG LEU 66 4.334 -5.091 6.299 489 HD11 LEU 66 HD11 LEU 66 5.183 -3.428 4.710 490 HD12 LEU 66 HD12 LEU 66 3.658 -2.538 4.882 491 HD13 LEU 66 HD13 LEU 66 3.664 -4.166 4.204 492 HD21 LEU 66 HD21 LEU 66 4.594 -3.726 8.303 493 HD22 LEU 66 HD22 LEU 66 4.320 -2.263 7.354 494 HD23 LEU 66 HD23 LEU 66 5.749 -3.254 7.056 495 H LYS 67 HN LYS 67 0.729 -2.888 8.665 496 HA LYS 67 HA LYS 67 -1.760 -4.403 8.522 497 HB2 LYS 67 HB2 LYS 67 -2.467 -3.523 10.747 498 HB3 LYS 67 HB1 LYS 67 -1.137 -4.668 10.778 499 HG2 LYS 67 HG2 LYS 67 0.328 -2.505 10.752 500 HG3 LYS 67 HG1 LYS 67 -1.142 -1.753 11.377 501 HD2 LYS 67 HD2 LYS 67 0.163 -2.438 13.261 502 HD3 LYS 67 HD1 LYS 67 -1.205 -3.548 13.133 503 HE2 LYS 67 HE2 LYS 67 0.785 -4.841 13.576 504 HE3 LYS 67 HE1 LYS 67 0.272 -5.147 11.916 505 HZ1 LYS 67 HZ1 LYS 67 2.030 -3.542 11.164 506 HZ2 LYS 67 HZ2 LYS 67 2.696 -4.807 12.046 507 HZ3 LYS 67 HZ3 LYS 67 2.456 -3.329 12.776 508 H THR 68 HN THR 68 -0.645 -1.035 9.194 509 HA THR 68 HA THR 68 -3.075 -0.189 7.799 510 HB THR 68 HB THR 68 -2.643 2.034 8.813 511 HG1 THR 68 HG1 THR 68 -0.964 1.408 10.745 512 HG21 THR 68 HG21 THR 68 -4.129 0.469 9.984 513 HG22 THR 68 HG22 THR 68 -3.193 1.413 11.143 514 HG23 THR 68 HG23 THR 68 -2.740 -0.256 10.794 515 H VAL 69 HN VAL 69 -2.607 2.098 6.720 516 HA VAL 69 HA VAL 69 -0.546 1.616 4.807 517 HB VAL 69 HB VAL 69 -1.221 3.692 3.723 518 HG11 VAL 69 HG11 VAL 69 -3.597 3.232 3.312 519 HG12 VAL 69 HG12 VAL 69 -3.598 2.158 4.718 520 HG13 VAL 69 HG13 VAL 69 -2.615 1.759 3.310 521 HG21 VAL 69 HG21 VAL 69 -2.964 4.167 6.124 522 HG22 VAL 69 HG22 VAL 69 -2.946 5.141 4.653 523 HG23 VAL 69 HG23 VAL 69 -1.518 5.077 5.691 524 H GLY 70 HN GLY 70 -0.804 3.279 7.785 525 HA2 GLY 70 HA2 GLY 70 1.475 4.984 7.419 526 HA3 GLY 70 HA1 GLY 70 0.675 4.627 8.952 527 H ASP 71 HN ASP 71 0.797 1.861 8.763 528 HA ASP 71 HA ASP 71 3.423 1.355 9.728 529 HB2 ASP 71 HB2 ASP 71 1.441 0.211 10.608 530 HB3 ASP 71 HB1 ASP 71 1.155 -0.520 9.039 531 H ALA 72 HN ALA 72 1.763 0.836 6.711 532 HA ALA 72 HA ALA 72 3.736 -0.906 5.613 533 HB1 ALA 72 HB1 ALA 72 1.541 0.610 4.216 534 HB2 ALA 72 HB2 ALA 72 1.396 -1.004 4.913 535 HB3 ALA 72 HB3 ALA 72 2.477 -0.726 3.547 536 H THR 73 HN THR 73 3.078 2.567 5.415 537 HA THR 73 HA THR 73 4.761 3.014 3.283 538 HB THR 73 HB THR 73 4.796 5.434 4.226 539 HG1 THR 73 HG1 THR 73 2.504 4.545 5.564 540 HG21 THR 73 HG21 THR 73 2.238 4.101 3.332 541 HG22 THR 73 HG22 THR 73 3.504 4.730 2.275 542 HG23 THR 73 HG23 THR 73 2.565 5.833 3.284 543 H LYS 74 HN LYS 74 5.516 2.570 6.598 544 HA LYS 74 HA LYS 74 8.030 3.867 6.545 545 HB2 LYS 74 HB2 LYS 74 6.918 3.401 8.660 546 HB3 LYS 74 HB1 LYS 74 6.997 1.674 8.350 547 HG2 LYS 74 HG2 LYS 74 9.415 1.728 8.511 548 HG3 LYS 74 HG1 LYS 74 9.380 3.477 8.727 549 HD2 LYS 74 HD2 LYS 74 8.162 3.216 10.815 550 HD3 LYS 74 HD1 LYS 74 8.104 1.468 10.576 551 HE2 LYS 74 HE2 LYS 74 9.858 2.118 12.161 552 HE3 LYS 74 HE1 LYS 74 10.517 1.337 10.727 553 HZ1 LYS 74 HZ1 LYS 74 10.453 4.292 11.144 554 HZ2 LYS 74 HZ2 LYS 74 11.235 3.448 9.888 555 HZ3 LYS 74 HZ3 LYS 74 11.773 3.295 11.450 556 H TYR 75 HN TYR 75 6.957 0.595 5.853 557 HA TYR 75 HA TYR 75 9.552 -0.533 5.541 558 HB2 TYR 75 HB2 TYR 75 7.531 -1.916 5.925 559 HB3 TYR 75 HB1 TYR 75 6.907 -1.435 4.353 560 HD1 TYR 75 HD1 TYR 75 9.508 -3.368 6.083 561 HD2 TYR 75 HD2 TYR 75 7.694 -2.485 2.340 562 HE1 TYR 75 HE1 TYR 75 10.703 -5.250 5.066 563 HE2 TYR 75 HE2 TYR 75 8.873 -4.359 1.307 564 HH TYR 75 HH TYR 75 10.333 -6.769 3.093 565 H ILE 76 HN ILE 76 7.326 1.062 3.445 566 HA ILE 76 HA ILE 76 8.659 0.640 0.973 567 HB ILE 76 HB ILE 76 6.805 2.888 1.829 568 HG12 ILE 76 HG12 ILE 76 6.179 0.333 0.334 569 HG13 ILE 76 HG11 ILE 76 5.882 0.576 2.051 570 HG21 ILE 76 HG21 ILE 76 6.388 3.180 -0.585 571 HG22 ILE 76 HG22 ILE 76 7.605 1.951 -0.939 572 HG23 ILE 76 HG23 ILE 76 8.079 3.468 -0.173 573 HD11 ILE 76 HD11 ILE 76 3.861 0.865 0.749 574 HD12 ILE 76 HD12 ILE 76 4.651 2.137 -0.195 575 HD13 ILE 76 HD13 ILE 76 4.352 2.371 1.529 576 H LEU 77 HN LEU 77 8.483 3.483 3.141 577 HA LEU 77 HA LEU 77 10.369 5.063 1.850 578 HB2 LEU 77 HB2 LEU 77 8.698 5.859 3.449 579 HB3 LEU 77 HB1 LEU 77 9.598 5.020 4.700 580 HG LEU 77 HG LEU 77 11.491 6.556 4.406 581 HD11 LEU 77 HD11 LEU 77 11.217 7.070 2.047 582 HD12 LEU 77 HD12 LEU 77 11.276 8.547 3.006 583 HD13 LEU 77 HD13 LEU 77 9.731 7.956 2.395 584 HD21 LEU 77 HD21 LEU 77 10.444 8.572 5.303 585 HD22 LEU 77 HD22 LEU 77 9.780 7.116 6.041 586 HD23 LEU 77 HD23 LEU 77 8.862 7.975 4.805 587 H ASP 78 HN ASP 78 10.711 2.492 4.047 588 HA ASP 78 HA ASP 78 13.306 2.801 5.036 589 HB2 ASP 78 HB2 ASP 78 11.770 1.090 5.839 590 HB3 ASP 78 HB1 ASP 78 11.816 0.286 4.280 591 H HIS 79 HN HIS 79 12.173 1.656 1.920 592 HA HIS 79 HA HIS 79 14.935 0.886 1.213 593 HB2 HIS 79 HB2 HIS 79 12.306 0.138 -0.083 594 HB3 HIS 79 HB1 HIS 79 13.877 -0.303 -0.725 595 HD1 HIS 79 HD1 HIS 79 11.660 -0.990 2.338 596 HD2 HIS 79 HD2 HIS 79 14.957 -2.592 0.342 597 HE1 HIS 79 HE1 HIS 79 12.058 -3.215 3.358 598 HE2 HIS 79 HE2 HIS 79 13.786 -4.273 1.920 599 H GLN 80 HN GLN 80 12.107 2.280 -0.428 600 HA GLN 80 HA GLN 80 11.825 3.651 -2.163 601 HB2 GLN 80 HB2 GLN 80 13.761 5.283 -0.557 602 HB3 GLN 80 HB1 GLN 80 12.756 5.910 -1.857 603 HG2 GLN 80 HG2 GLN 80 11.806 4.658 0.690 604 HG3 GLN 80 HG1 GLN 80 11.813 6.376 0.322 605 HE21 GLN 80 HE21 GLN 80 9.617 6.542 0.623 606 HE22 GLN 80 HE22 GLN 80 8.467 5.898 -0.487 607 H ALA 81 HN ALA 81 13.035 5.444 -3.587 608 HA ALA 81 HA ALA 81 15.544 4.446 -4.611 609 HB1 ALA 81 HB1 ALA 81 13.108 5.015 -6.315 610 HB2 ALA 81 HB2 ALA 81 13.825 3.428 -6.042 611 HB3 ALA 81 HB3 ALA 81 14.723 4.663 -6.926 612 H28 SXO 101 H28B SXO 101 -4.814 -11.440 4.588 613 H28A SXO 101 H28A SXO 101 -4.989 -11.646 2.843 614 H30 SXO 101 H30A SXO 101 -6.146 -14.007 5.180 615 H30A SXO 101 H30C SXO 101 -4.600 -14.876 5.477 616 H30B SXO 101 H30B SXO 101 -4.788 -13.143 5.918 617 H31 SXO 101 H31A SXO 101 -4.822 -13.890 1.863 618 H31A SXO 101 H31B SXO 101 -6.179 -14.404 2.867 619 H31B SXO 101 H31C SXO 101 -4.659 -15.314 2.900 620 H32 SXO 101 H32A SXO 101 -2.746 -12.847 4.830 621 HO33 SXO 101 H33A SXO 101 -2.029 -14.846 3.185 622 HN36 SXO 101 H36A SXO 101 -2.775 -11.048 3.652 623 H37 SXO 101 H37A SXO 101 -0.967 -10.041 2.273 624 H37A SXO 101 H37B SXO 101 -1.483 -11.202 1.054 625 H38 SXO 101 H38B SXO 101 -3.655 -10.105 0.922 626 H38A SXO 101 H38A SXO 101 -2.319 -9.013 0.482 627 HN41 SXO 101 H41A SXO 101 -2.459 -9.408 3.682 628 H42 SXO 101 H42A SXO 101 -3.539 -6.746 4.080 629 H42A SXO 101 H42B SXO 101 -4.351 -7.994 4.953 630 H43 SXO 101 H43B SXO 101 -2.282 -8.551 6.128 631 H43A SXO 101 H43A SXO 101 -1.403 -7.331 5.170 632 H2 SXO 101 H2A SXO 101 -0.797 -4.707 6.128 633 H2A SXO 101 H2B SXO 101 -1.550 -3.277 5.404 634 H3 SXO 101 H3B SXO 101 -0.553 -5.789 4.088 635 H3A SXO 101 H3A SXO 101 -1.639 -4.673 3.262 636 H4 SXO 101 H4A SXO 101 1.019 -3.891 4.466 637 H4A SXO 101 H4B SXO 101 -0.037 -2.879 3.477 638 H5 SXO 101 H5B SXO 101 1.525 -5.307 2.636 639 H5A SXO 101 H5A SXO 101 0.232 -4.619 1.657 640 H6 SXO 101 H6A SXO 101 2.526 -3.871 1.014 641 H6A SXO 101 H6B SXO 101 2.655 -3.080 2.588 642 H7 SXO 101 H7A SXO 101 0.704 -1.695 2.062 643 H7A SXO 101 H7B SXO 101 0.577 -2.486 0.480 644 H8 SXO 101 H8C SXO 101 2.807 -1.669 -0.087 645 H8A SXO 101 H8A SXO 101 2.923 -0.892 1.491 646 H8B SXO 101 H8B SXO 101 1.725 -0.338 0.322 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 13.675 9.692 -3.922 2 H2 ALA 1 HT2 ALA 1 12.908 9.186 -5.341 3 H3 ALA 1 HT3 ALA 1 14.298 8.375 -4.790 4 HA ALA 1 HA ALA 1 12.285 7.140 -4.307 5 HB1 ALA 1 HB1 ALA 1 12.657 6.840 -1.903 6 HB2 ALA 1 HB2 ALA 1 13.595 8.335 -1.860 7 HB3 ALA 1 HB3 ALA 1 14.185 6.950 -2.777 8 H ALA 2 HN ALA 2 10.297 7.061 -3.174 9 HA ALA 2 HA ALA 2 9.017 9.705 -2.739 10 HB1 ALA 2 HB1 ALA 2 6.937 8.588 -3.240 11 HB2 ALA 2 HB2 ALA 2 7.752 7.030 -3.352 12 HB3 ALA 2 HB3 ALA 2 8.061 8.276 -4.562 13 H THR 3 HN THR 3 8.023 10.194 -1.098 14 HA THR 3 HA THR 3 8.486 8.430 1.151 15 HB THR 3 HB THR 3 8.206 10.538 2.501 16 HG1 THR 3 HG1 THR 3 8.356 11.663 -0.116 17 HG21 THR 3 HG21 THR 3 10.495 11.287 2.070 18 HG22 THR 3 HG22 THR 3 10.490 10.363 0.556 19 HG23 THR 3 HG23 THR 3 10.367 9.525 2.108 20 H GLN 4 HN GLN 4 6.801 9.443 3.059 21 HA GLN 4 HA GLN 4 4.711 7.760 2.745 22 HB2 GLN 4 HB2 GLN 4 3.636 8.899 4.661 23 HB3 GLN 4 HB1 GLN 4 5.320 8.463 4.906 24 HG2 GLN 4 HG2 GLN 4 5.989 10.767 4.551 25 HG3 GLN 4 HG1 GLN 4 4.315 11.214 4.211 26 HE21 GLN 4 HE21 GLN 4 2.860 11.363 5.872 27 HE22 GLN 4 HE22 GLN 4 3.320 11.317 7.537 28 H GLU 5 HN GLU 5 4.539 11.227 2.023 29 HA GLU 5 HA GLU 5 1.699 11.120 1.636 30 HB2 GLU 5 HB2 GLU 5 2.989 13.123 2.391 31 HB3 GLU 5 HB1 GLU 5 3.651 13.250 0.769 32 HG2 GLU 5 HG2 GLU 5 1.838 14.807 1.111 33 HG3 GLU 5 HG1 GLU 5 1.419 13.605 -0.113 34 H GLU 6 HN GLU 6 4.457 10.639 -0.310 35 HA GLU 6 HA GLU 6 3.091 10.888 -2.854 36 HB2 GLU 6 HB2 GLU 6 5.794 9.745 -2.146 37 HB3 GLU 6 HB1 GLU 6 5.234 10.168 -3.761 38 HG2 GLU 6 HG2 GLU 6 5.248 12.480 -3.246 39 HG3 GLU 6 HG1 GLU 6 5.510 12.157 -1.530 40 H ILE 7 HN ILE 7 4.224 8.486 -0.623 41 HA ILE 7 HA ILE 7 3.810 6.210 -2.158 42 HB ILE 7 HB ILE 7 3.967 6.558 0.830 43 HG12 ILE 7 HG12 ILE 7 6.040 7.076 -0.314 44 HG13 ILE 7 HG11 ILE 7 6.224 5.555 0.547 45 HG21 ILE 7 HG21 ILE 7 2.690 4.543 0.398 46 HG22 ILE 7 HG22 ILE 7 4.294 4.131 1.005 47 HG23 ILE 7 HG23 ILE 7 3.933 3.967 -0.712 48 HD11 ILE 7 HD11 ILE 7 5.757 5.867 -2.419 49 HD12 ILE 7 HD12 ILE 7 5.949 4.338 -1.565 50 HD13 ILE 7 HD13 ILE 7 7.287 5.471 -1.645 51 H VAL 8 HN VAL 8 1.800 7.510 0.563 52 HA VAL 8 HA VAL 8 -0.247 5.616 0.362 53 HB VAL 8 HB VAL 8 -0.449 8.492 1.346 54 HG11 VAL 8 HG11 VAL 8 -2.647 7.589 0.791 55 HG12 VAL 8 HG12 VAL 8 -2.460 7.758 2.536 56 HG13 VAL 8 HG13 VAL 8 -2.324 6.169 1.782 57 HG21 VAL 8 HG21 VAL 8 -0.281 7.517 3.570 58 HG22 VAL 8 HG22 VAL 8 1.148 7.118 2.606 59 HG23 VAL 8 HG23 VAL 8 -0.122 5.915 2.858 60 H ALA 9 HN ALA 9 -0.074 8.841 -1.100 61 HA ALA 9 HA ALA 9 -2.429 8.856 -2.527 62 HB1 ALA 9 HB1 ALA 9 -1.354 10.459 -4.021 63 HB2 ALA 9 HB2 ALA 9 0.225 9.978 -3.403 64 HB3 ALA 9 HB3 ALA 9 -0.928 10.785 -2.338 65 H GLY 10 HN GLY 10 0.710 7.501 -3.470 66 HA2 GLY 10 HA2 GLY 10 -0.061 6.744 -6.094 67 HA3 GLY 10 HA1 GLY 10 1.341 6.130 -5.222 68 H LEU 11 HN LEU 11 0.024 5.078 -3.001 69 HA LEU 11 HA LEU 11 -0.741 2.512 -3.804 70 HB2 LEU 11 HB2 LEU 11 -1.374 4.021 -1.270 71 HB3 LEU 11 HB1 LEU 11 -1.704 2.323 -1.498 72 HG LEU 11 HG LEU 11 1.050 3.556 -1.542 73 HD11 LEU 11 HD11 LEU 11 1.315 2.514 0.661 74 HD12 LEU 11 HD12 LEU 11 -0.370 1.990 0.615 75 HD13 LEU 11 HD13 LEU 11 0.018 3.711 0.671 76 HD21 LEU 11 HD21 LEU 11 1.815 1.236 -1.398 77 HD22 LEU 11 HD22 LEU 11 0.848 1.487 -2.853 78 HD23 LEU 11 HD23 LEU 11 0.144 0.676 -1.458 79 H ALA 12 HN ALA 12 -2.661 5.300 -2.831 80 HA ALA 12 HA ALA 12 -5.144 4.024 -3.199 81 HB1 ALA 12 HB1 ALA 12 -4.842 5.926 -1.712 82 HB2 ALA 12 HB2 ALA 12 -6.131 6.166 -2.893 83 HB3 ALA 12 HB3 ALA 12 -4.569 6.971 -3.118 84 H GLU 13 HN GLU 13 -3.027 5.712 -5.373 85 HA GLU 13 HA GLU 13 -4.818 6.189 -7.499 86 HB2 GLU 13 HB2 GLU 13 -1.878 5.495 -7.515 87 HB3 GLU 13 HB1 GLU 13 -2.772 5.906 -8.967 88 HG2 GLU 13 HG2 GLU 13 -2.560 7.741 -6.602 89 HG3 GLU 13 HG1 GLU 13 -1.408 7.746 -7.936 90 H ILE 14 HN ILE 14 -2.828 3.344 -6.818 91 HA ILE 14 HA ILE 14 -4.111 1.916 -8.924 92 HB ILE 14 HB ILE 14 -2.393 0.789 -6.667 93 HG12 ILE 14 HG12 ILE 14 -0.868 0.326 -8.807 94 HG13 ILE 14 HG11 ILE 14 -1.736 1.707 -9.445 95 HG21 ILE 14 HG21 ILE 14 -2.245 -1.245 -8.010 96 HG22 ILE 14 HG22 ILE 14 -3.426 -0.543 -9.138 97 HG23 ILE 14 HG23 ILE 14 -3.884 -0.874 -7.462 98 HD11 ILE 14 HD11 ILE 14 0.354 2.420 -8.525 99 HD12 ILE 14 HD12 ILE 14 0.032 1.610 -7.010 100 HD13 ILE 14 HD13 ILE 14 -0.936 3.019 -7.476 101 H VAL 15 HN VAL 15 -4.467 1.944 -5.372 102 HA VAL 15 HA VAL 15 -6.437 -0.041 -5.300 103 HB VAL 15 HB VAL 15 -5.867 2.127 -3.226 104 HG11 VAL 15 HG11 VAL 15 -7.197 0.823 -1.655 105 HG12 VAL 15 HG12 VAL 15 -7.639 -0.298 -2.945 106 HG13 VAL 15 HG13 VAL 15 -8.197 1.374 -2.997 107 HG21 VAL 15 HG21 VAL 15 -5.262 -0.824 -3.286 108 HG22 VAL 15 HG22 VAL 15 -4.915 0.270 -1.959 109 HG23 VAL 15 HG23 VAL 15 -4.097 0.480 -3.510 110 H ASN 16 HN ASN 16 -6.757 3.277 -6.185 111 HA ASN 16 HA ASN 16 -9.548 3.510 -5.874 112 HB2 ASN 16 HB2 ASN 16 -8.259 5.508 -6.261 113 HB3 ASN 16 HB1 ASN 16 -7.649 4.887 -7.788 114 HD21 ASN 16 HD21 ASN 16 -10.426 6.266 -6.148 115 HD22 ASN 16 HD22 ASN 16 -11.274 6.658 -7.607 116 H GLU 17 HN GLU 17 -7.588 2.186 -8.449 117 HA GLU 17 HA GLU 17 -9.819 1.790 -10.210 118 HB2 GLU 17 HB2 GLU 17 -7.511 2.100 -11.044 119 HB3 GLU 17 HB1 GLU 17 -7.031 0.606 -10.257 120 HG2 GLU 17 HG2 GLU 17 -8.540 -0.645 -11.721 121 HG3 GLU 17 HG1 GLU 17 -9.014 0.858 -12.509 122 H ILE 18 HN ILE 18 -8.144 -0.010 -7.786 123 HA ILE 18 HA ILE 18 -9.310 -2.567 -8.429 124 HB ILE 18 HB ILE 18 -7.635 -1.618 -6.098 125 HG12 ILE 18 HG12 ILE 18 -6.967 -3.289 -8.527 126 HG13 ILE 18 HG11 ILE 18 -6.489 -1.619 -8.246 127 HG21 ILE 18 HG21 ILE 18 -7.288 -3.973 -5.529 128 HG22 ILE 18 HG22 ILE 18 -8.468 -4.439 -6.753 129 HG23 ILE 18 HG23 ILE 18 -8.979 -3.498 -5.348 130 HD11 ILE 18 HD11 ILE 18 -5.623 -3.999 -6.624 131 HD12 ILE 18 HD12 ILE 18 -5.138 -2.323 -6.354 132 HD13 ILE 18 HD13 ILE 18 -4.656 -3.153 -7.836 133 H ALA 19 HN ALA 19 -9.655 -0.326 -5.655 134 HA ALA 19 HA ALA 19 -11.950 -1.886 -4.732 135 HB1 ALA 19 HB1 ALA 19 -10.369 0.232 -3.298 136 HB2 ALA 19 HB2 ALA 19 -10.139 -1.510 -3.142 137 HB3 ALA 19 HB3 ALA 19 -11.645 -0.766 -2.605 138 H GLY 20 HN GLY 20 -11.075 1.262 -5.917 139 HA2 GLY 20 HA2 GLY 20 -12.516 2.893 -6.740 140 HA3 GLY 20 HA1 GLY 20 -13.879 1.963 -6.124 141 H ILE 21 HN ILE 21 -11.018 3.277 -4.519 142 HA ILE 21 HA ILE 21 -12.823 4.575 -2.630 143 HB ILE 21 HB ILE 21 -10.746 4.693 -1.138 144 HG12 ILE 21 HG12 ILE 21 -9.134 2.756 -1.475 145 HG13 ILE 21 HG11 ILE 21 -9.776 2.598 -3.099 146 HG21 ILE 21 HG21 ILE 21 -12.595 3.321 -0.608 147 HG22 ILE 21 HG22 ILE 21 -11.099 2.469 -0.234 148 HG23 ILE 21 HG23 ILE 21 -12.023 2.040 -1.680 149 HD11 ILE 21 HD11 ILE 21 -8.311 4.990 -1.984 150 HD12 ILE 21 HD12 ILE 21 -8.957 4.849 -3.621 151 HD13 ILE 21 HD13 ILE 21 -7.661 3.779 -3.091 152 HA PRO 22 HA PRO 22 -11.201 8.546 -3.753 153 HB2 PRO 22 HB2 PRO 22 -11.454 9.416 -0.964 154 HB3 PRO 22 HB1 PRO 22 -12.406 9.919 -2.364 155 HG2 PRO 22 HG2 PRO 22 -13.460 8.426 -0.387 156 HG3 PRO 22 HG1 PRO 22 -13.958 8.234 -2.080 157 HD2 PRO 22 HD2 PRO 22 -12.008 6.607 -0.488 158 HD3 PRO 22 HD1 PRO 22 -13.311 6.048 -1.557 159 H VAL 23 HN VAL 23 -9.176 9.355 -3.828 160 HA VAL 23 HA VAL 23 -7.090 7.945 -2.502 161 HB VAL 23 HB VAL 23 -5.512 9.459 -3.604 162 HG11 VAL 23 HG11 VAL 23 -6.397 7.574 -4.863 163 HG12 VAL 23 HG12 VAL 23 -6.120 8.956 -5.928 164 HG13 VAL 23 HG13 VAL 23 -7.755 8.559 -5.406 165 HG21 VAL 23 HG21 VAL 23 -6.353 11.272 -5.074 166 HG22 VAL 23 HG22 VAL 23 -6.744 11.528 -3.363 167 HG23 VAL 23 HG23 VAL 23 -7.986 10.950 -4.459 168 H GLU 24 HN GLU 24 -8.841 10.752 -1.671 169 HA GLU 24 HA GLU 24 -6.828 11.533 0.269 170 HB2 GLU 24 HB2 GLU 24 -8.351 13.443 0.779 171 HB3 GLU 24 HB1 GLU 24 -7.789 13.400 -0.878 172 HG2 GLU 24 HG2 GLU 24 -10.461 12.288 -0.093 173 HG3 GLU 24 HG1 GLU 24 -10.235 14.001 -0.437 174 H ASP 25 HN ASP 25 -9.296 9.361 0.122 175 HA ASP 25 HA ASP 25 -10.264 9.749 2.823 176 HB2 ASP 25 HB2 ASP 25 -11.647 8.752 0.963 177 HB3 ASP 25 HB1 ASP 25 -10.603 7.351 1.028 178 H VAL 26 HN VAL 26 -8.026 7.878 1.051 179 HA VAL 26 HA VAL 26 -7.233 6.168 3.228 180 HB VAL 26 HB VAL 26 -5.849 6.663 0.576 181 HG11 VAL 26 HG11 VAL 26 -4.846 4.453 0.955 182 HG12 VAL 26 HG12 VAL 26 -5.656 4.360 2.518 183 HG13 VAL 26 HG13 VAL 26 -4.424 5.590 2.236 184 HG21 VAL 26 HG21 VAL 26 -8.138 5.923 0.193 185 HG22 VAL 26 HG22 VAL 26 -7.893 4.554 1.281 186 HG23 VAL 26 HG23 VAL 26 -6.991 4.652 -0.229 187 H LYS 27 HN LYS 27 -6.729 7.681 4.790 188 HA LYS 27 HA LYS 27 -4.214 9.095 4.345 189 HB2 LYS 27 HB2 LYS 27 -6.078 9.183 6.738 190 HB3 LYS 27 HB1 LYS 27 -4.620 10.145 6.544 191 HG2 LYS 27 HG2 LYS 27 -5.635 11.198 4.537 192 HG3 LYS 27 HG1 LYS 27 -7.123 10.311 4.876 193 HD2 LYS 27 HD2 LYS 27 -5.795 12.357 6.651 194 HD3 LYS 27 HD1 LYS 27 -7.288 12.570 5.731 195 HE2 LYS 27 HE2 LYS 27 -8.314 10.765 7.061 196 HE3 LYS 27 HE1 LYS 27 -6.825 10.643 7.997 197 HZ1 LYS 27 HZ1 LYS 27 -7.144 12.982 8.630 198 HZ2 LYS 27 HZ2 LYS 27 -8.380 11.978 9.187 199 HZ3 LYS 27 HZ3 LYS 27 -8.642 12.977 7.835 200 H LEU 28 HN LEU 28 -3.002 8.883 6.816 201 HA LEU 28 HA LEU 28 -1.814 6.377 6.295 202 HB2 LEU 28 HB2 LEU 28 -1.224 8.344 8.467 203 HB3 LEU 28 HB1 LEU 28 -0.308 6.872 8.197 204 HG LEU 28 HG LEU 28 -0.138 7.853 5.761 205 HD11 LEU 28 HD11 LEU 28 0.188 10.267 5.764 206 HD12 LEU 28 HD12 LEU 28 -0.454 10.341 7.404 207 HD13 LEU 28 HD13 LEU 28 -1.483 9.797 6.078 208 HD21 LEU 28 HD21 LEU 28 1.564 8.736 8.071 209 HD22 LEU 28 HD22 LEU 28 2.025 8.760 6.353 210 HD23 LEU 28 HD23 LEU 28 1.655 7.226 7.157 211 H ASP 29 HN ASP 29 -4.314 7.151 8.492 212 HA ASP 29 HA ASP 29 -3.718 4.860 10.178 213 HB2 ASP 29 HB2 ASP 29 -5.637 5.471 11.498 214 HB3 ASP 29 HB1 ASP 29 -4.737 6.938 11.136 215 H LYS 30 HN LYS 30 -4.953 5.109 7.194 216 HA LYS 30 HA LYS 30 -7.212 3.327 7.406 217 HB2 LYS 30 HB2 LYS 30 -5.763 4.553 5.060 218 HB3 LYS 30 HB1 LYS 30 -7.045 3.374 4.874 219 HG2 LYS 30 HG2 LYS 30 -7.549 5.769 6.548 220 HG3 LYS 30 HG1 LYS 30 -7.560 5.920 4.784 221 HD2 LYS 30 HD2 LYS 30 -9.248 4.249 4.592 222 HD3 LYS 30 HD1 LYS 30 -9.132 3.861 6.305 223 HE2 LYS 30 HE2 LYS 30 -9.931 6.562 5.289 224 HE3 LYS 30 HE1 LYS 30 -11.103 5.273 5.591 225 HZ1 LYS 30 HZ1 LYS 30 -10.928 6.681 7.538 226 HZ2 LYS 30 HZ2 LYS 30 -9.268 6.512 7.558 227 HZ3 LYS 30 HZ3 LYS 30 -10.266 5.164 7.867 228 H SER 31 HN SER 31 -7.207 1.191 7.269 229 HA SER 31 HA SER 31 -4.825 -0.151 6.255 230 HB2 SER 31 HB2 SER 31 -5.165 -0.754 8.489 231 HB3 SER 31 HB1 SER 31 -6.918 -1.026 8.290 232 HG SER 31 HG SER 31 -4.681 -2.543 7.498 233 H PHE 32 HN PHE 32 -5.240 -2.056 4.886 234 HA PHE 32 HA PHE 32 -6.945 -1.174 2.802 235 HB2 PHE 32 HB2 PHE 32 -5.271 -3.657 3.064 236 HB3 PHE 32 HB1 PHE 32 -6.160 -3.209 1.610 237 HD1 PHE 32 HD2 PHE 32 -5.518 -1.238 0.315 238 HD2 PHE 32 HD1 PHE 32 -3.241 -2.521 3.673 239 HE1 PHE 32 HE2 PHE 32 -3.631 0.148 -0.440 240 HE2 PHE 32 HE1 PHE 32 -1.353 -1.135 2.922 241 HZ PHE 32 HZ PHE 32 -1.544 0.197 0.868 242 H THR 33 HN THR 33 -7.108 -4.183 4.720 243 HA THR 33 HA THR 33 -9.920 -3.989 4.143 244 HB THR 33 HB THR 33 -9.171 -5.699 2.649 245 HG1 THR 33 HG1 THR 33 -11.048 -6.069 4.214 246 HG21 THR 33 HG21 THR 33 -7.911 -7.099 5.010 247 HG22 THR 33 HG22 THR 33 -7.057 -6.320 3.677 248 HG23 THR 33 HG23 THR 33 -8.028 -7.764 3.380 249 H ASP 34 HN ASP 34 -9.913 -2.933 6.025 250 HA ASP 34 HA ASP 34 -10.552 -4.368 8.364 251 HB2 ASP 34 HB2 ASP 34 -8.093 -4.617 8.554 252 HB3 ASP 34 HB1 ASP 34 -7.904 -2.881 8.385 253 H ASP 35 HN ASP 35 -9.252 -1.403 7.027 254 HA ASP 35 HA ASP 35 -11.308 0.140 8.490 255 HB2 ASP 35 HB2 ASP 35 -8.733 0.750 8.461 256 HB3 ASP 35 HB1 ASP 35 -9.098 1.385 6.878 257 H LEU 36 HN LEU 36 -9.770 -0.355 5.355 258 HA LEU 36 HA LEU 36 -11.870 1.025 3.922 259 HB2 LEU 36 HB2 LEU 36 -9.369 -0.401 3.019 260 HB3 LEU 36 HB1 LEU 36 -10.461 0.480 1.974 261 HG LEU 36 HG LEU 36 -8.967 1.780 4.242 262 HD11 LEU 36 HD11 LEU 36 -8.276 1.644 1.295 263 HD12 LEU 36 HD12 LEU 36 -7.381 0.853 2.592 264 HD13 LEU 36 HD13 LEU 36 -7.435 2.613 2.502 265 HD21 LEU 36 HD21 LEU 36 -10.380 2.833 1.810 266 HD22 LEU 36 HD22 LEU 36 -9.535 3.802 3.036 267 HD23 LEU 36 HD23 LEU 36 -10.982 2.873 3.470 268 H ASP 37 HN ASP 37 -12.504 -0.192 1.835 269 HA ASP 37 HA ASP 37 -13.461 -2.877 2.557 270 HB2 ASP 37 HB2 ASP 37 -15.298 -2.437 0.950 271 HB3 ASP 37 HB1 ASP 37 -15.262 -1.244 2.236 272 H VAL 38 HN VAL 38 -10.893 -2.243 1.472 273 HA VAL 38 HA VAL 38 -10.838 -2.818 -1.356 274 HB VAL 38 HB VAL 38 -8.587 -2.869 0.674 275 HG11 VAL 38 HG11 VAL 38 -7.121 -2.486 -1.257 276 HG12 VAL 38 HG12 VAL 38 -8.515 -2.589 -2.331 277 HG13 VAL 38 HG13 VAL 38 -8.014 -4.000 -1.398 278 HG21 VAL 38 HG21 VAL 38 -8.086 -0.579 -0.049 279 HG22 VAL 38 HG22 VAL 38 -9.678 -0.700 0.701 280 HG23 VAL 38 HG23 VAL 38 -9.536 -0.586 -1.051 281 H ASP 39 HN ASP 39 -11.199 -4.825 -2.059 282 HA ASP 39 HA ASP 39 -11.238 -7.212 -0.611 283 HB2 ASP 39 HB2 ASP 39 -10.523 -6.832 -3.537 284 HB3 ASP 39 HB1 ASP 39 -10.808 -8.394 -2.796 285 H SER 40 HN SER 40 -9.728 -8.589 0.084 286 HA SER 40 HA SER 40 -7.136 -7.549 0.481 287 HB2 SER 40 HB2 SER 40 -6.782 -9.673 1.668 288 HB3 SER 40 HB1 SER 40 -8.308 -8.845 2.069 289 H LEU 41 HN LEU 41 -8.297 -10.351 -1.345 290 HA LEU 41 HA LEU 41 -5.832 -11.107 -2.363 291 HB2 LEU 41 HB2 LEU 41 -8.587 -11.523 -3.520 292 HB3 LEU 41 HB1 LEU 41 -7.164 -12.128 -4.328 293 HG LEU 41 HG LEU 41 -6.684 -13.492 -2.256 294 HD11 LEU 41 HD11 LEU 41 -8.535 -13.958 -0.739 295 HD12 LEU 41 HD12 LEU 41 -9.485 -12.687 -1.512 296 HD13 LEU 41 HD13 LEU 41 -8.007 -12.280 -0.638 297 HD21 LEU 41 HD21 LEU 41 -7.635 -14.480 -4.246 298 HD22 LEU 41 HD22 LEU 41 -9.255 -14.019 -3.728 299 HD23 LEU 41 HD23 LEU 41 -8.337 -15.208 -2.802 300 H SER 42 HN SER 42 -7.975 -8.588 -3.260 301 HA SER 42 HA SER 42 -6.804 -8.049 -5.815 302 HB2 SER 42 HB2 SER 42 -8.703 -6.536 -4.079 303 HB3 SER 42 HB1 SER 42 -8.386 -6.158 -5.787 304 HG SER 42 HG SER 42 -9.024 -8.718 -5.721 305 H MET 43 HN MET 43 -6.331 -7.042 -2.501 306 HA MET 43 HA MET 43 -4.828 -4.645 -3.004 307 HB2 MET 43 HB2 MET 43 -5.980 -5.345 -0.827 308 HB3 MET 43 HB1 MET 43 -4.666 -6.482 -0.599 309 HG2 MET 43 HG2 MET 43 -4.270 -3.523 -0.889 310 HG3 MET 43 HG1 MET 43 -4.543 -4.303 0.655 311 HE1 MET 43 HE1 MET 43 -2.786 -6.041 1.739 312 HE2 MET 43 HE2 MET 43 -1.262 -6.480 0.991 313 HE3 MET 43 HE3 MET 43 -2.781 -7.022 0.273 314 H VAL 44 HN VAL 44 -4.185 -7.959 -2.972 315 HA VAL 44 HA VAL 44 -1.355 -7.940 -2.854 316 HB VAL 44 HB VAL 44 -3.041 -9.842 -4.506 317 HG11 VAL 44 HG11 VAL 44 -0.336 -10.219 -3.227 318 HG12 VAL 44 HG12 VAL 44 -0.662 -10.044 -4.952 319 HG13 VAL 44 HG13 VAL 44 -1.250 -11.462 -4.082 320 HG21 VAL 44 HG21 VAL 44 -3.116 -11.268 -2.501 321 HG22 VAL 44 HG22 VAL 44 -3.944 -9.730 -2.287 322 HG23 VAL 44 HG23 VAL 44 -2.356 -9.975 -1.570 323 H GLU 45 HN GLU 45 -3.616 -7.150 -5.312 324 HA GLU 45 HA GLU 45 -1.748 -7.117 -7.452 325 HB2 GLU 45 HB2 GLU 45 -4.538 -6.026 -7.283 326 HB3 GLU 45 HB1 GLU 45 -3.593 -6.243 -8.754 327 HG2 GLU 45 HG2 GLU 45 -3.508 -8.648 -8.334 328 HG3 GLU 45 HG1 GLU 45 -4.495 -8.414 -6.891 329 H VAL 46 HN VAL 46 -2.758 -4.868 -4.986 330 HA VAL 46 HA VAL 46 -1.660 -2.691 -6.523 331 HB VAL 46 HB VAL 46 -3.646 -2.171 -5.064 332 HG11 VAL 46 HG11 VAL 46 -3.203 -3.565 -3.175 333 HG12 VAL 46 HG12 VAL 46 -3.396 -1.878 -2.690 334 HG13 VAL 46 HG13 VAL 46 -1.785 -2.599 -2.766 335 HG21 VAL 46 HG21 VAL 46 -2.784 -0.081 -4.123 336 HG22 VAL 46 HG22 VAL 46 -2.166 -0.376 -5.749 337 HG23 VAL 46 HG23 VAL 46 -1.136 -0.671 -4.346 338 H VAL 47 HN VAL 47 -0.783 -4.740 -3.832 339 HA VAL 47 HA VAL 47 1.518 -3.230 -3.236 340 HB VAL 47 HB VAL 47 0.652 -4.822 -1.565 341 HG11 VAL 47 HG11 VAL 47 -0.010 -6.660 -2.980 342 HG12 VAL 47 HG12 VAL 47 1.085 -7.216 -1.714 343 HG13 VAL 47 HG13 VAL 47 1.676 -7.000 -3.363 344 HG21 VAL 47 HG21 VAL 47 2.936 -4.081 -1.346 345 HG22 VAL 47 HG22 VAL 47 3.490 -5.391 -2.386 346 HG23 VAL 47 HG23 VAL 47 2.794 -5.755 -0.804 347 H VAL 48 HN VAL 48 1.083 -5.958 -5.454 348 HA VAL 48 HA VAL 48 3.803 -6.081 -6.180 349 HB VAL 48 HB VAL 48 2.227 -7.920 -6.733 350 HG11 VAL 48 HG11 VAL 48 0.717 -7.770 -8.656 351 HG12 VAL 48 HG12 VAL 48 1.078 -6.047 -8.787 352 HG13 VAL 48 HG13 VAL 48 0.264 -6.670 -7.354 353 HG21 VAL 48 HG21 VAL 48 3.572 -6.738 -9.156 354 HG22 VAL 48 HG22 VAL 48 3.023 -8.409 -9.006 355 HG23 VAL 48 HG23 VAL 48 4.309 -7.808 -7.964 356 H ALA 49 HN ALA 49 1.165 -4.072 -7.257 357 HA ALA 49 HA ALA 49 2.590 -2.899 -9.436 358 HB1 ALA 49 HB1 ALA 49 0.128 -1.913 -7.990 359 HB2 ALA 49 HB2 ALA 49 0.138 -2.969 -9.404 360 HB3 ALA 49 HB3 ALA 49 0.734 -1.314 -9.532 361 H ALA 50 HN ALA 50 2.303 -2.299 -6.042 362 HA ALA 50 HA ALA 50 3.270 0.338 -6.105 363 HB1 ALA 50 HB1 ALA 50 3.575 0.088 -3.687 364 HB2 ALA 50 HB2 ALA 50 3.321 -1.653 -3.831 365 HB3 ALA 50 HB3 ALA 50 2.008 -0.536 -4.198 366 H GLU 51 HN GLU 51 4.760 -2.818 -5.899 367 HA GLU 51 HA GLU 51 7.355 -2.085 -5.195 368 HB2 GLU 51 HB2 GLU 51 6.566 -4.326 -7.069 369 HB3 GLU 51 HB1 GLU 51 8.092 -4.153 -6.211 370 HG2 GLU 51 HG2 GLU 51 6.894 -4.334 -4.084 371 HG3 GLU 51 HG1 GLU 51 5.402 -4.594 -4.974 372 H GLU 52 HN GLU 52 5.826 -2.214 -8.341 373 HA GLU 52 HA GLU 52 8.206 -1.283 -9.682 374 HB2 GLU 52 HB2 GLU 52 6.719 -1.242 -11.700 375 HB3 GLU 52 HB1 GLU 52 6.863 -2.808 -10.912 376 HG2 GLU 52 HG2 GLU 52 4.749 -2.543 -9.866 377 HG3 GLU 52 HG1 GLU 52 4.570 -0.904 -10.472 378 H ARG 53 HN ARG 53 5.162 0.093 -8.587 379 HA ARG 53 HA ARG 53 5.312 2.507 -10.007 380 HB2 ARG 53 HB2 ARG 53 3.222 1.668 -9.040 381 HB3 ARG 53 HB1 ARG 53 3.861 1.895 -7.427 382 HG2 ARG 53 HG2 ARG 53 2.330 3.664 -7.851 383 HG3 ARG 53 HG1 ARG 53 3.947 4.358 -7.899 384 HD2 ARG 53 HD2 ARG 53 2.383 3.534 -10.349 385 HD3 ARG 53 HD1 ARG 53 2.397 5.168 -9.696 386 HE ARG 53 HE ARG 53 4.806 5.176 -10.130 387 HH11 ARG 53 HH11 ARG 53 2.764 2.912 -11.954 388 HH12 ARG 53 HH12 ARG 53 3.801 2.858 -13.309 389 HH21 ARG 53 HH21 ARG 53 6.228 5.066 -11.970 390 HH22 ARG 53 HH22 ARG 53 5.852 4.092 -13.306 391 H PHE 54 HN PHE 54 6.173 1.668 -6.675 392 HA PHE 54 HA PHE 54 7.210 4.347 -6.308 393 HB2 PHE 54 HB2 PHE 54 6.825 2.115 -4.344 394 HB3 PHE 54 HB1 PHE 54 7.362 3.750 -3.930 395 HD1 PHE 54 HD2 PHE 54 5.718 5.592 -5.046 396 HD2 PHE 54 HD1 PHE 54 4.709 1.623 -3.938 397 HE1 PHE 54 HE2 PHE 54 3.357 6.233 -4.877 398 HE2 PHE 54 HE1 PHE 54 2.365 2.257 -3.778 399 HZ PHE 54 HZ PHE 54 1.689 4.551 -4.237 400 H ASP 55 HN ASP 55 8.261 1.369 -7.280 401 HA ASP 55 HA ASP 55 10.247 0.501 -7.828 402 HB2 ASP 55 HB2 ASP 55 11.080 2.736 -8.317 403 HB3 ASP 55 HB1 ASP 55 11.409 3.006 -6.609 404 H VAL 56 HN VAL 56 9.319 1.105 -4.743 405 HA VAL 56 HA VAL 56 11.419 -0.355 -3.425 406 HB VAL 56 HB VAL 56 10.426 1.470 -2.231 407 HG11 VAL 56 HG11 VAL 56 8.235 1.561 -3.205 408 HG12 VAL 56 HG12 VAL 56 8.073 1.442 -1.449 409 HG13 VAL 56 HG13 VAL 56 7.791 0.027 -2.464 410 HG21 VAL 56 HG21 VAL 56 9.783 0.372 -0.115 411 HG22 VAL 56 HG22 VAL 56 11.205 -0.360 -0.858 412 HG23 VAL 56 HG23 VAL 56 9.635 -1.158 -0.981 413 H LYS 57 HN LYS 57 11.516 -2.381 -3.637 414 HA LYS 57 HA LYS 57 9.259 -4.023 -4.342 415 HB2 LYS 57 HB2 LYS 57 12.124 -4.710 -3.670 416 HB3 LYS 57 HB1 LYS 57 10.926 -5.887 -4.209 417 HG2 LYS 57 HG2 LYS 57 10.685 -4.784 -6.312 418 HG3 LYS 57 HG1 LYS 57 11.684 -3.440 -5.777 419 HD2 LYS 57 HD2 LYS 57 12.633 -6.283 -6.106 420 HD3 LYS 57 HD1 LYS 57 12.867 -4.997 -7.290 421 HE2 LYS 57 HE2 LYS 57 13.970 -5.122 -4.486 422 HE3 LYS 57 HE1 LYS 57 14.877 -5.244 -5.992 423 HZ1 LYS 57 HZ1 LYS 57 15.181 -3.079 -5.254 424 HZ2 LYS 57 HZ2 LYS 57 13.618 -2.872 -4.775 425 HZ3 LYS 57 HZ3 LYS 57 13.979 -2.858 -6.436 426 H ILE 58 HN ILE 58 8.045 -5.225 -3.066 427 HA ILE 58 HA ILE 58 8.522 -5.048 -0.168 428 HB ILE 58 HB ILE 58 5.843 -4.847 -1.594 429 HG12 ILE 58 HG12 ILE 58 7.318 -2.619 -0.179 430 HG13 ILE 58 HG11 ILE 58 7.454 -2.891 -1.910 431 HG21 ILE 58 HG21 ILE 58 5.002 -4.183 0.623 432 HG22 ILE 58 HG22 ILE 58 6.611 -4.422 1.307 433 HG23 ILE 58 HG23 ILE 58 5.711 -5.798 0.670 434 HD11 ILE 58 HD11 ILE 58 4.917 -2.265 -0.418 435 HD12 ILE 58 HD12 ILE 58 5.077 -2.521 -2.162 436 HD13 ILE 58 HD13 ILE 58 5.862 -1.142 -1.399 437 HA PRO 59 HA PRO 59 8.294 -9.506 -1.078 438 HB2 PRO 59 HB2 PRO 59 9.116 -9.611 1.760 439 HB3 PRO 59 HB1 PRO 59 9.881 -10.332 0.338 440 HG2 PRO 59 HG2 PRO 59 10.989 -8.243 1.533 441 HG3 PRO 59 HG1 PRO 59 10.963 -8.358 -0.239 442 HD2 PRO 59 HD2 PRO 59 9.151 -6.791 1.571 443 HD3 PRO 59 HD1 PRO 59 9.980 -6.261 0.091 444 H ASP 60 HN ASP 60 6.999 -11.157 -0.454 445 HA ASP 60 HA ASP 60 4.385 -10.751 0.372 446 HB2 ASP 60 HB2 ASP 60 5.094 -12.695 -0.889 447 HB3 ASP 60 HB1 ASP 60 6.069 -13.258 0.455 448 H ASP 61 HN ASP 61 7.104 -11.952 2.215 449 HA ASP 61 HA ASP 61 5.764 -12.429 4.657 450 HB2 ASP 61 HB2 ASP 61 8.672 -12.019 3.995 451 HB3 ASP 61 HB1 ASP 61 8.143 -12.189 5.663 452 H ASP 62 HN ASP 62 6.945 -9.507 3.258 453 HA ASP 62 HA ASP 62 6.747 -8.119 5.789 454 HB2 ASP 62 HB2 ASP 62 7.529 -7.131 3.052 455 HB3 ASP 62 HB1 ASP 62 7.271 -6.046 4.413 456 H VAL 63 HN VAL 63 5.004 -8.389 2.803 457 HA VAL 63 HA VAL 63 3.045 -6.430 3.097 458 HB VAL 63 HB VAL 63 2.643 -9.250 2.022 459 HG11 VAL 63 HG11 VAL 63 0.820 -8.289 0.690 460 HG12 VAL 63 HG12 VAL 63 1.064 -6.735 1.493 461 HG13 VAL 63 HG13 VAL 63 0.521 -8.129 2.421 462 HG21 VAL 63 HG21 VAL 63 3.455 -6.731 0.574 463 HG22 VAL 63 HG22 VAL 63 3.098 -8.284 -0.185 464 HG23 VAL 63 HG23 VAL 63 4.483 -8.129 0.894 465 H LYS 64 HN LYS 64 2.928 -9.805 4.144 466 HA LYS 64 HA LYS 64 0.450 -9.711 5.517 467 HB2 LYS 64 HB2 LYS 64 2.772 -11.600 5.821 468 HB3 LYS 64 HB1 LYS 64 1.157 -11.862 6.458 469 HG2 LYS 64 HG2 LYS 64 0.246 -11.972 4.253 470 HG3 LYS 64 HG1 LYS 64 1.804 -11.532 3.549 471 HD2 LYS 64 HD2 LYS 64 2.789 -13.578 4.423 472 HD3 LYS 64 HD1 LYS 64 1.244 -14.017 5.160 473 HE2 LYS 64 HE2 LYS 64 0.203 -14.153 3.006 474 HE3 LYS 64 HE1 LYS 64 1.661 -13.545 2.226 475 HZ1 LYS 64 HZ1 LYS 64 1.445 -16.144 3.667 476 HZ2 LYS 64 HZ2 LYS 64 2.817 -15.503 2.873 477 HZ3 LYS 64 HZ3 LYS 64 1.472 -15.899 1.985 478 H ASN 65 HN ASN 65 3.433 -8.441 6.380 479 HA ASN 65 HA ASN 65 3.111 -8.883 9.251 480 HB2 ASN 65 HB2 ASN 65 5.318 -9.270 8.120 481 HB3 ASN 65 HB1 ASN 65 5.374 -7.560 7.740 482 HD21 ASN 65 HD21 ASN 65 7.205 -7.133 8.908 483 HD22 ASN 65 HD22 ASN 65 7.282 -7.241 10.618 484 H LEU 66 HN LEU 66 2.057 -6.686 6.977 485 HA LEU 66 HA LEU 66 2.351 -4.440 8.831 486 HB2 LEU 66 HB2 LEU 66 1.689 -4.409 5.890 487 HB3 LEU 66 HB1 LEU 66 1.846 -2.998 6.915 488 HG LEU 66 HG LEU 66 4.047 -4.903 6.141 489 HD11 LEU 66 HD11 LEU 66 3.518 -2.032 5.465 490 HD12 LEU 66 HD12 LEU 66 3.404 -3.418 4.366 491 HD13 LEU 66 HD13 LEU 66 4.970 -2.931 5.018 492 HD21 LEU 66 HD21 LEU 66 4.170 -2.440 7.879 493 HD22 LEU 66 HD22 LEU 66 5.546 -3.410 7.352 494 HD23 LEU 66 HD23 LEU 66 4.342 -4.105 8.436 495 H LYS 67 HN LYS 67 0.387 -2.845 8.506 496 HA LYS 67 HA LYS 67 -2.022 -4.318 8.133 497 HB2 LYS 67 HB2 LYS 67 -3.036 -3.443 10.286 498 HB3 LYS 67 HB1 LYS 67 -1.883 -4.752 10.412 499 HG2 LYS 67 HG2 LYS 67 -0.165 -3.014 10.997 500 HG3 LYS 67 HG1 LYS 67 -1.497 -1.864 11.104 501 HD2 LYS 67 HD2 LYS 67 -2.612 -3.256 12.773 502 HD3 LYS 67 HD1 LYS 67 -1.307 -4.436 12.671 503 HE2 LYS 67 HE2 LYS 67 0.264 -2.676 13.441 504 HE3 LYS 67 HE1 LYS 67 -1.107 -1.588 13.635 505 HZ1 LYS 67 HZ1 LYS 67 -2.049 -3.186 15.250 506 HZ2 LYS 67 HZ2 LYS 67 -0.545 -2.586 15.729 507 HZ3 LYS 67 HZ3 LYS 67 -0.666 -4.142 15.093 508 H THR 68 HN THR 68 -0.998 -1.001 9.076 509 HA THR 68 HA THR 68 -3.242 -0.121 7.408 510 HB THR 68 HB THR 68 -2.885 2.110 8.378 511 HG1 THR 68 HG1 THR 68 -0.747 0.832 9.807 512 HG21 THR 68 HG21 THR 68 -4.356 0.587 9.590 513 HG22 THR 68 HG22 THR 68 -3.449 1.577 10.740 514 HG23 THR 68 HG23 THR 68 -2.974 -0.096 10.443 515 H VAL 69 HN VAL 69 -2.654 2.118 6.276 516 HA VAL 69 HA VAL 69 -0.425 1.574 4.569 517 HB VAL 69 HB VAL 69 -0.978 3.684 3.373 518 HG11 VAL 69 HG11 VAL 69 -2.091 1.639 2.705 519 HG12 VAL 69 HG12 VAL 69 -3.177 3.018 2.530 520 HG13 VAL 69 HG13 VAL 69 -3.360 1.919 3.895 521 HG21 VAL 69 HG21 VAL 69 -1.773 4.993 5.267 522 HG22 VAL 69 HG22 VAL 69 -3.178 3.932 5.409 523 HG23 VAL 69 HG23 VAL 69 -2.981 4.941 3.984 524 H GLY 70 HN GLY 70 -0.883 3.122 7.509 525 HA2 GLY 70 HA2 GLY 70 1.367 4.863 7.415 526 HA3 GLY 70 HA1 GLY 70 0.525 4.297 8.859 527 H ASP 71 HN ASP 71 0.744 1.524 8.019 528 HA ASP 71 HA ASP 71 3.407 0.949 8.981 529 HB2 ASP 71 HB2 ASP 71 1.228 -0.892 7.982 530 HB3 ASP 71 HB1 ASP 71 2.764 -1.452 8.623 531 H ALA 72 HN ALA 72 1.686 0.902 5.986 532 HA ALA 72 HA ALA 72 3.537 -0.499 4.398 533 HB1 ALA 72 HB1 ALA 72 1.570 1.637 3.568 534 HB2 ALA 72 HB2 ALA 72 1.223 -0.086 3.701 535 HB3 ALA 72 HB3 ALA 72 2.369 0.493 2.489 536 H THR 73 HN THR 73 2.998 2.991 4.779 537 HA THR 73 HA THR 73 5.089 3.922 3.264 538 HB THR 73 HB THR 73 4.917 5.898 4.931 539 HG1 THR 73 HG1 THR 73 2.464 4.788 5.651 540 HG21 THR 73 HG21 THR 73 2.499 4.954 3.395 541 HG22 THR 73 HG22 THR 73 3.865 5.858 2.738 542 HG23 THR 73 HG23 THR 73 2.804 6.608 3.927 543 H LYS 74 HN LYS 74 4.912 3.370 6.724 544 HA LYS 74 HA LYS 74 7.412 3.956 7.614 545 HB2 LYS 74 HB2 LYS 74 5.582 3.356 9.058 546 HB3 LYS 74 HB1 LYS 74 5.568 1.724 8.429 547 HG2 LYS 74 HG2 LYS 74 7.706 1.279 9.488 548 HG3 LYS 74 HG1 LYS 74 7.781 2.949 10.059 549 HD2 LYS 74 HD2 LYS 74 6.992 1.423 11.818 550 HD3 LYS 74 HD1 LYS 74 5.765 2.614 11.381 551 HE2 LYS 74 HE2 LYS 74 4.696 0.914 9.932 552 HE3 LYS 74 HE1 LYS 74 5.894 -0.261 10.468 553 HZ1 LYS 74 HZ1 LYS 74 3.747 -0.384 11.662 554 HZ2 LYS 74 HZ2 LYS 74 4.033 1.165 12.273 555 HZ3 LYS 74 HZ3 LYS 74 5.074 -0.100 12.686 556 H TYR 75 HN TYR 75 6.389 0.881 6.116 557 HA TYR 75 HA TYR 75 8.966 -0.321 6.395 558 HB2 TYR 75 HB2 TYR 75 7.047 -1.787 6.209 559 HB3 TYR 75 HB1 TYR 75 6.623 -1.098 4.641 560 HD1 TYR 75 HD1 TYR 75 9.241 -3.065 6.413 561 HD2 TYR 75 HD2 TYR 75 7.554 -1.955 2.667 562 HE1 TYR 75 HE1 TYR 75 10.572 -4.803 5.312 563 HE2 TYR 75 HE2 TYR 75 8.882 -3.690 1.555 564 HH TYR 75 HH TYR 75 11.056 -4.851 2.046 565 H ILE 76 HN ILE 76 7.209 1.093 3.715 566 HA ILE 76 HA ILE 76 9.031 0.714 1.684 567 HB ILE 76 HB ILE 76 6.919 2.764 2.194 568 HG12 ILE 76 HG12 ILE 76 7.174 0.503 0.211 569 HG13 ILE 76 HG11 ILE 76 6.337 0.410 1.756 570 HG21 ILE 76 HG21 ILE 76 7.163 3.547 -0.124 571 HG22 ILE 76 HG22 ILE 76 8.640 2.580 -0.283 572 HG23 ILE 76 HG23 ILE 76 8.566 3.910 0.884 573 HD11 ILE 76 HD11 ILE 76 5.644 2.173 -0.551 574 HD12 ILE 76 HD12 ILE 76 4.835 2.136 1.016 575 HD13 ILE 76 HD13 ILE 76 4.777 0.710 -0.039 576 H LEU 77 HN LEU 77 8.653 3.665 3.614 577 HA LEU 77 HA LEU 77 10.857 5.027 2.589 578 HB2 LEU 77 HB2 LEU 77 9.218 5.233 5.021 579 HB3 LEU 77 HB1 LEU 77 10.690 6.203 4.967 580 HG LEU 77 HG LEU 77 9.747 7.290 2.901 581 HD11 LEU 77 HD11 LEU 77 7.370 7.039 2.413 582 HD12 LEU 77 HD12 LEU 77 7.260 5.763 3.627 583 HD13 LEU 77 HD13 LEU 77 8.241 5.522 2.180 584 HD21 LEU 77 HD21 LEU 77 8.059 7.436 5.383 585 HD22 LEU 77 HD22 LEU 77 8.102 8.645 4.103 586 HD23 LEU 77 HD23 LEU 77 9.543 8.336 5.077 587 H ASP 78 HN ASP 78 10.735 2.474 4.784 588 HA ASP 78 HA ASP 78 13.376 2.968 5.952 589 HB2 ASP 78 HB2 ASP 78 11.796 1.774 7.359 590 HB3 ASP 78 HB1 ASP 78 11.558 0.550 6.116 591 H HIS 79 HN HIS 79 11.900 0.814 3.668 592 HA HIS 79 HA HIS 79 14.277 -0.675 3.093 593 HB2 HIS 79 HB2 HIS 79 11.834 -1.447 2.962 594 HB3 HIS 79 HB1 HIS 79 11.766 -0.586 1.433 595 HD1 HIS 79 HD1 HIS 79 12.242 -2.074 -0.568 596 HD2 HIS 79 HD2 HIS 79 14.020 -3.468 2.924 597 HE1 HIS 79 HE1 HIS 79 13.220 -4.274 -1.147 598 HE2 HIS 79 HE2 HIS 79 13.804 -5.221 1.118 599 H GLN 80 HN GLN 80 12.230 1.497 1.147 600 HA GLN 80 HA GLN 80 12.443 2.420 -0.851 601 HB2 GLN 80 HB2 GLN 80 15.025 3.366 0.386 602 HB3 GLN 80 HB1 GLN 80 14.291 4.074 -1.049 603 HG2 GLN 80 HG2 GLN 80 12.994 3.943 1.669 604 HG3 GLN 80 HG1 GLN 80 13.834 5.346 1.016 605 HE21 GLN 80 HE21 GLN 80 11.987 6.594 1.207 606 HE22 GLN 80 HE22 GLN 80 10.613 6.418 0.155 607 H ALA 81 HN ALA 81 12.487 1.368 -2.562 608 HA ALA 81 HA ALA 81 13.065 0.200 -4.355 609 HB1 ALA 81 HB1 ALA 81 15.952 0.827 -3.681 610 HB2 ALA 81 HB2 ALA 81 14.893 1.838 -4.665 611 HB3 ALA 81 HB3 ALA 81 15.346 0.233 -5.226 612 H28 SXO 101 H28B SXO 101 -7.018 -11.493 3.769 613 H28A SXO 101 H28A SXO 101 -6.278 -11.705 2.147 614 H30 SXO 101 H30A SXO 101 -4.462 -12.055 3.912 615 H30A SXO 101 H30C SXO 101 -5.523 -12.651 5.187 616 H30B SXO 101 H30B SXO 101 -4.338 -13.728 4.450 617 H31 SXO 101 H31A SXO 101 -7.386 -14.090 4.725 618 H31A SXO 101 H31B SXO 101 -6.284 -15.299 4.036 619 H31B SXO 101 H31C SXO 101 -7.647 -14.696 3.085 620 H32 SXO 101 H32A SXO 101 -4.605 -14.555 2.196 621 HO33 SXO 101 H33A SXO 101 -6.325 -13.965 0.305 622 HN36 SXO 101 H36A SXO 101 -3.361 -12.440 2.404 623 H37 SXO 101 H37A SXO 101 -2.049 -11.705 0.395 624 H37A SXO 101 H37B SXO 101 -3.544 -10.811 0.028 625 H38 SXO 101 H38B SXO 101 -1.699 -9.558 1.201 626 H38A SXO 101 H38A SXO 101 -1.973 -10.549 2.604 627 HN41 SXO 101 H41A SXO 101 -2.804 -9.090 3.928 628 H42 SXO 101 H42A SXO 101 -4.182 -6.828 3.768 629 H42A SXO 101 H42B SXO 101 -5.457 -7.944 3.419 630 H43 SXO 101 H43B SXO 101 -5.572 -7.564 5.688 631 H43A SXO 101 H43A SXO 101 -4.840 -9.168 5.499 632 H2 SXO 101 H2A SXO 101 -1.293 -5.847 6.025 633 H2A SXO 101 H2B SXO 101 -2.040 -4.238 6.121 634 H3 SXO 101 H3B SXO 101 -1.616 -5.902 3.670 635 H3A SXO 101 H3A SXO 101 -2.484 -4.368 3.710 636 H4 SXO 101 H4A SXO 101 0.398 -4.797 4.488 637 H4A SXO 101 H4B SXO 101 -0.472 -3.262 4.567 638 H5 SXO 101 H5B SXO 101 0.081 -4.872 2.083 639 H5A SXO 101 H5A SXO 101 -0.865 -3.383 2.145 640 H6 SXO 101 H6A SXO 101 2.039 -3.712 2.850 641 H6A SXO 101 H6B SXO 101 1.122 -2.210 3.030 642 H7 SXO 101 H7A SXO 101 0.686 -2.214 0.602 643 H7A SXO 101 H7B SXO 101 1.650 -3.699 0.453 644 H8 SXO 101 H8C SXO 101 2.616 -1.038 1.486 645 H8A SXO 101 H8A SXO 101 2.958 -1.713 -0.107 646 H8B SXO 101 H8B SXO 101 3.584 -2.505 1.341 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 14.869 8.590 -2.723 2 H2 ALA 1 HT2 ALA 1 14.173 10.009 -2.101 3 H3 ALA 1 HT3 ALA 1 13.856 9.535 -3.694 4 HA ALA 1 HA ALA 1 12.674 7.601 -2.919 5 HB1 ALA 1 HB1 ALA 1 12.316 7.253 -0.540 6 HB2 ALA 1 HB2 ALA 1 13.328 8.649 -0.171 7 HB3 ALA 1 HB3 ALA 1 14.038 7.221 -0.925 8 H ALA 2 HN ALA 2 10.485 7.833 -2.893 9 HA ALA 2 HA ALA 2 9.382 10.495 -2.610 10 HB1 ALA 2 HB1 ALA 2 8.523 9.009 -4.387 11 HB2 ALA 2 HB2 ALA 2 7.248 9.405 -3.231 12 HB3 ALA 2 HB3 ALA 2 8.039 7.828 -3.168 13 H THR 3 HN THR 3 7.979 11.102 -0.875 14 HA THR 3 HA THR 3 8.579 9.386 1.363 15 HB THR 3 HB THR 3 7.711 12.262 1.691 16 HG1 THR 3 HG1 THR 3 9.817 11.327 0.282 17 HG21 THR 3 HG21 THR 3 9.613 10.411 3.153 18 HG22 THR 3 HG22 THR 3 8.085 11.062 3.797 19 HG23 THR 3 HG23 THR 3 9.449 12.119 3.504 20 H GLN 4 HN GLN 4 6.937 9.829 3.295 21 HA GLN 4 HA GLN 4 5.108 7.931 3.013 22 HB2 GLN 4 HB2 GLN 4 5.925 8.882 5.116 23 HB3 GLN 4 HB1 GLN 4 4.870 10.267 4.884 24 HG2 GLN 4 HG2 GLN 4 2.924 8.820 5.012 25 HG3 GLN 4 HG1 GLN 4 3.972 7.414 5.195 26 HE21 GLN 4 HE21 GLN 4 3.180 6.858 7.200 27 HE22 GLN 4 HE22 GLN 4 3.421 7.842 8.606 28 H GLU 5 HN GLU 5 4.115 11.420 2.809 29 HA GLU 5 HA GLU 5 1.411 10.689 2.356 30 HB2 GLU 5 HB2 GLU 5 1.047 13.040 1.709 31 HB3 GLU 5 HB1 GLU 5 1.888 12.886 3.240 32 HG2 GLU 5 HG2 GLU 5 3.965 13.508 2.231 33 HG3 GLU 5 HG1 GLU 5 3.256 13.434 0.620 34 H GLU 6 HN GLU 6 4.073 11.352 0.218 35 HA GLU 6 HA GLU 6 2.499 11.422 -2.154 36 HB2 GLU 6 HB2 GLU 6 4.712 12.578 -1.806 37 HB3 GLU 6 HB1 GLU 6 5.470 11.001 -1.833 38 HG2 GLU 6 HG2 GLU 6 4.904 10.675 -4.100 39 HG3 GLU 6 HG1 GLU 6 3.854 12.098 -4.101 40 H ILE 7 HN ILE 7 4.163 9.045 -0.277 41 HA ILE 7 HA ILE 7 4.041 6.965 -2.100 42 HB ILE 7 HB ILE 7 4.101 6.879 0.927 43 HG12 ILE 7 HG12 ILE 7 6.108 7.767 -0.122 44 HG13 ILE 7 HG11 ILE 7 6.439 6.188 0.576 45 HG21 ILE 7 HG21 ILE 7 3.058 4.812 0.120 46 HG22 ILE 7 HG22 ILE 7 4.676 4.488 0.744 47 HG23 ILE 7 HG23 ILE 7 4.398 4.560 -0.996 48 HD11 ILE 7 HD11 ILE 7 7.482 6.510 -1.625 49 HD12 ILE 7 HD12 ILE 7 5.878 6.695 -2.334 50 HD13 ILE 7 HD13 ILE 7 6.347 5.164 -1.594 51 H VAL 8 HN VAL 8 1.927 7.974 0.591 52 HA VAL 8 HA VAL 8 -0.171 6.156 0.415 53 HB VAL 8 HB VAL 8 -0.308 9.110 1.138 54 HG11 VAL 8 HG11 VAL 8 -2.311 6.919 1.660 55 HG12 VAL 8 HG12 VAL 8 -2.516 8.265 0.539 56 HG13 VAL 8 HG13 VAL 8 -2.405 8.569 2.276 57 HG21 VAL 8 HG21 VAL 8 -0.150 6.651 2.864 58 HG22 VAL 8 HG22 VAL 8 -0.310 8.310 3.440 59 HG23 VAL 8 HG23 VAL 8 1.152 7.808 2.587 60 H ALA 9 HN ALA 9 0.216 9.249 -1.263 61 HA ALA 9 HA ALA 9 -2.087 9.319 -2.780 62 HB1 ALA 9 HB1 ALA 9 0.677 10.186 -3.616 63 HB2 ALA 9 HB2 ALA 9 -0.458 11.147 -2.669 64 HB3 ALA 9 HB3 ALA 9 -0.838 10.726 -4.341 65 H GLY 10 HN GLY 10 0.987 7.719 -3.531 66 HA2 GLY 10 HA2 GLY 10 0.226 6.784 -6.095 67 HA3 GLY 10 HA1 GLY 10 1.576 6.178 -5.138 68 H LEU 11 HN LEU 11 0.149 5.391 -2.886 69 HA LEU 11 HA LEU 11 -0.615 2.769 -3.472 70 HB2 LEU 11 HB2 LEU 11 -1.266 4.526 -1.119 71 HB3 LEU 11 HB1 LEU 11 -1.688 2.832 -1.190 72 HG LEU 11 HG LEU 11 1.134 3.896 -1.318 73 HD11 LEU 11 HD11 LEU 11 0.094 4.358 0.855 74 HD12 LEU 11 HD12 LEU 11 1.314 3.091 0.997 75 HD13 LEU 11 HD13 LEU 11 -0.399 2.669 0.982 76 HD21 LEU 11 HD21 LEU 11 1.749 1.572 -0.918 77 HD22 LEU 11 HD22 LEU 11 0.785 1.714 -2.394 78 HD23 LEU 11 HD23 LEU 11 0.050 1.113 -0.910 79 H ALA 12 HN ALA 12 -2.609 5.578 -2.735 80 HA ALA 12 HA ALA 12 -5.062 4.228 -2.912 81 HB1 ALA 12 HB1 ALA 12 -6.104 6.339 -2.863 82 HB2 ALA 12 HB2 ALA 12 -4.579 7.168 -3.233 83 HB3 ALA 12 HB3 ALA 12 -4.781 6.300 -1.696 84 H GLU 13 HN GLU 13 -3.038 5.523 -5.384 85 HA GLU 13 HA GLU 13 -5.018 5.884 -7.371 86 HB2 GLU 13 HB2 GLU 13 -2.127 5.092 -7.733 87 HB3 GLU 13 HB1 GLU 13 -3.197 5.665 -9.003 88 HG2 GLU 13 HG2 GLU 13 -3.438 7.792 -7.762 89 HG3 GLU 13 HG1 GLU 13 -2.227 7.206 -6.622 90 H ILE 14 HN ILE 14 -3.002 3.095 -6.621 91 HA ILE 14 HA ILE 14 -4.327 1.521 -8.587 92 HB ILE 14 HB ILE 14 -2.620 0.506 -6.263 93 HG12 ILE 14 HG12 ILE 14 -0.946 0.022 -8.154 94 HG13 ILE 14 HG11 ILE 14 -1.908 1.110 -9.138 95 HG21 ILE 14 HG21 ILE 14 -4.116 -1.180 -7.069 96 HG22 ILE 14 HG22 ILE 14 -2.455 -1.569 -7.549 97 HG23 ILE 14 HG23 ILE 14 -3.593 -0.888 -8.726 98 HD11 ILE 14 HD11 ILE 14 -1.435 2.914 -7.569 99 HD12 ILE 14 HD12 ILE 14 0.035 2.214 -8.243 100 HD13 ILE 14 HD13 ILE 14 -0.463 1.809 -6.599 101 H VAL 15 HN VAL 15 -4.769 2.096 -5.162 102 HA VAL 15 HA VAL 15 -6.676 0.031 -4.894 103 HB VAL 15 HB VAL 15 -6.435 2.434 -3.039 104 HG11 VAL 15 HG11 VAL 15 -7.581 -0.320 -2.572 105 HG12 VAL 15 HG12 VAL 15 -8.502 1.177 -2.740 106 HG13 VAL 15 HG13 VAL 15 -7.429 0.953 -1.360 107 HG21 VAL 15 HG21 VAL 15 -5.085 -0.257 -2.869 108 HG22 VAL 15 HG22 VAL 15 -5.074 0.975 -1.617 109 HG23 VAL 15 HG23 VAL 15 -4.279 1.291 -3.164 110 H ASN 16 HN ASN 16 -6.926 3.303 -6.011 111 HA ASN 16 HA ASN 16 -9.774 3.423 -5.944 112 HB2 ASN 16 HB2 ASN 16 -8.529 5.509 -6.034 113 HB3 ASN 16 HB1 ASN 16 -7.746 5.027 -7.533 114 HD21 ASN 16 HD21 ASN 16 -10.737 6.178 -6.090 115 HD22 ASN 16 HD22 ASN 16 -11.481 6.606 -7.583 116 H GLU 17 HN GLU 17 -7.445 2.144 -8.129 117 HA GLU 17 HA GLU 17 -9.257 1.808 -10.325 118 HB2 GLU 17 HB2 GLU 17 -6.812 1.997 -10.621 119 HB3 GLU 17 HB1 GLU 17 -6.592 0.506 -9.723 120 HG2 GLU 17 HG2 GLU 17 -6.347 0.129 -12.099 121 HG3 GLU 17 HG1 GLU 17 -7.759 -0.723 -11.479 122 H ILE 18 HN ILE 18 -7.793 -0.350 -7.945 123 HA ILE 18 HA ILE 18 -9.236 -2.658 -8.784 124 HB ILE 18 HB ILE 18 -7.487 -2.083 -6.397 125 HG12 ILE 18 HG12 ILE 18 -7.117 -3.590 -8.980 126 HG13 ILE 18 HG11 ILE 18 -6.407 -2.051 -8.501 127 HG21 ILE 18 HG21 ILE 18 -7.424 -4.478 -5.909 128 HG22 ILE 18 HG22 ILE 18 -8.653 -4.781 -7.142 129 HG23 ILE 18 HG23 ILE 18 -9.051 -3.833 -5.702 130 HD11 ILE 18 HD11 ILE 18 -5.107 -3.184 -6.793 131 HD12 ILE 18 HD12 ILE 18 -4.809 -3.884 -8.386 132 HD13 ILE 18 HD13 ILE 18 -5.850 -4.720 -7.235 133 H ALA 19 HN ALA 19 -9.523 -0.635 -5.857 134 HA ALA 19 HA ALA 19 -11.984 -2.074 -5.229 135 HB1 ALA 19 HB1 ALA 19 -11.819 -1.062 -3.024 136 HB2 ALA 19 HB2 ALA 19 -10.424 -0.117 -3.551 137 HB3 ALA 19 HB3 ALA 19 -10.315 -1.877 -3.457 138 H GLY 20 HN GLY 20 -10.772 1.149 -5.814 139 HA2 GLY 20 HA2 GLY 20 -12.029 2.859 -6.910 140 HA3 GLY 20 HA1 GLY 20 -13.500 1.972 -6.538 141 H ILE 21 HN ILE 21 -10.888 2.982 -4.418 142 HA ILE 21 HA ILE 21 -12.832 4.113 -2.599 143 HB ILE 21 HB ILE 21 -10.794 4.517 -1.132 144 HG12 ILE 21 HG12 ILE 21 -8.807 3.025 -1.651 145 HG13 ILE 21 HG11 ILE 21 -9.448 2.847 -3.270 146 HG21 ILE 21 HG21 ILE 21 -12.284 2.697 -0.734 147 HG22 ILE 21 HG22 ILE 21 -10.620 2.196 -0.431 148 HG23 ILE 21 HG23 ILE 21 -11.437 1.693 -1.915 149 HD11 ILE 21 HD11 ILE 21 -7.626 4.441 -3.193 150 HD12 ILE 21 HD12 ILE 21 -8.491 5.407 -1.998 151 HD13 ILE 21 HD13 ILE 21 -9.129 5.251 -3.634 152 HA PRO 22 HA PRO 22 -11.923 8.379 -3.565 153 HB2 PRO 22 HB2 PRO 22 -11.941 8.992 -0.683 154 HB3 PRO 22 HB1 PRO 22 -13.049 9.554 -1.937 155 HG2 PRO 22 HG2 PRO 22 -13.812 7.802 -0.047 156 HG3 PRO 22 HG1 PRO 22 -14.454 7.746 -1.699 157 HD2 PRO 22 HD2 PRO 22 -12.330 6.068 -0.427 158 HD3 PRO 22 HD1 PRO 22 -13.641 5.583 -1.523 159 H VAL 23 HN VAL 23 -9.975 9.351 -3.817 160 HA VAL 23 HA VAL 23 -7.704 8.069 -2.700 161 HB VAL 23 HB VAL 23 -6.284 9.745 -3.808 162 HG11 VAL 23 HG11 VAL 23 -8.523 8.714 -5.538 163 HG12 VAL 23 HG12 VAL 23 -7.057 7.842 -5.091 164 HG13 VAL 23 HG13 VAL 23 -6.955 9.273 -6.119 165 HG21 VAL 23 HG21 VAL 23 -7.310 11.523 -5.179 166 HG22 VAL 23 HG22 VAL 23 -7.671 11.702 -3.453 167 HG23 VAL 23 HG23 VAL 23 -8.892 11.057 -4.539 168 H GLU 24 HN GLU 24 -9.506 10.832 -1.683 169 HA GLU 24 HA GLU 24 -7.484 11.705 0.192 170 HB2 GLU 24 HB2 GLU 24 -9.206 13.247 1.027 171 HB3 GLU 24 HB1 GLU 24 -9.024 13.357 -0.716 172 HG2 GLU 24 HG2 GLU 24 -11.036 12.236 -1.116 173 HG3 GLU 24 HG1 GLU 24 -11.128 11.638 0.539 174 H ASP 25 HN ASP 25 -9.614 9.134 0.135 175 HA ASP 25 HA ASP 25 -10.459 9.214 2.883 176 HB2 ASP 25 HB2 ASP 25 -11.759 8.119 1.055 177 HB3 ASP 25 HB1 ASP 25 -10.484 6.933 0.918 178 H VAL 26 HN VAL 26 -8.069 7.662 0.947 179 HA VAL 26 HA VAL 26 -7.023 5.921 2.937 180 HB VAL 26 HB VAL 26 -5.723 6.901 0.379 181 HG11 VAL 26 HG11 VAL 26 -5.127 4.477 2.076 182 HG12 VAL 26 HG12 VAL 26 -4.116 5.912 1.924 183 HG13 VAL 26 HG13 VAL 26 -4.369 4.860 0.529 184 HG21 VAL 26 HG21 VAL 26 -6.542 4.815 -0.604 185 HG22 VAL 26 HG22 VAL 26 -7.868 5.846 -0.057 186 HG23 VAL 26 HG23 VAL 26 -7.385 4.445 0.899 187 H LYS 27 HN LYS 27 -6.625 7.177 4.692 188 HA LYS 27 HA LYS 27 -4.190 8.830 4.557 189 HB2 LYS 27 HB2 LYS 27 -6.441 8.900 6.590 190 HB3 LYS 27 HB1 LYS 27 -4.950 9.828 6.702 191 HG2 LYS 27 HG2 LYS 27 -5.537 10.933 4.560 192 HG3 LYS 27 HG1 LYS 27 -7.077 10.081 4.592 193 HD2 LYS 27 HD2 LYS 27 -7.648 11.175 6.687 194 HD3 LYS 27 HD1 LYS 27 -6.085 11.998 6.694 195 HE2 LYS 27 HE2 LYS 27 -8.254 12.304 4.624 196 HE3 LYS 27 HE1 LYS 27 -7.843 13.476 5.878 197 HZ1 LYS 27 HZ1 LYS 27 -6.837 14.099 3.758 198 HZ2 LYS 27 HZ2 LYS 27 -6.104 12.619 3.618 199 HZ3 LYS 27 HZ3 LYS 27 -5.602 13.672 4.820 200 H LEU 28 HN LEU 28 -3.072 8.688 6.774 201 HA LEU 28 HA LEU 28 -1.708 6.298 6.647 202 HB2 LEU 28 HB2 LEU 28 -1.838 8.218 8.949 203 HB3 LEU 28 HB1 LEU 28 -0.550 7.070 8.619 204 HG LEU 28 HG LEU 28 -1.313 9.336 6.787 205 HD11 LEU 28 HD11 LEU 28 -0.424 10.183 8.847 206 HD12 LEU 28 HD12 LEU 28 0.718 10.403 7.518 207 HD13 LEU 28 HD13 LEU 28 0.986 9.123 8.712 208 HD21 LEU 28 HD21 LEU 28 1.039 7.452 6.761 209 HD22 LEU 28 HD22 LEU 28 0.796 8.815 5.671 210 HD23 LEU 28 HD23 LEU 28 -0.315 7.445 5.631 211 H ASP 29 HN ASP 29 -4.411 7.058 8.705 212 HA ASP 29 HA ASP 29 -4.085 4.804 10.461 213 HB2 ASP 29 HB2 ASP 29 -6.177 5.475 11.465 214 HB3 ASP 29 HB1 ASP 29 -5.167 6.890 11.200 215 H LYS 30 HN LYS 30 -5.130 4.941 7.327 216 HA LYS 30 HA LYS 30 -7.322 3.053 7.577 217 HB2 LYS 30 HB2 LYS 30 -5.967 4.218 5.148 218 HB3 LYS 30 HB1 LYS 30 -7.376 3.181 5.113 219 HG2 LYS 30 HG2 LYS 30 -7.320 5.844 6.500 220 HG3 LYS 30 HG1 LYS 30 -7.794 5.637 4.818 221 HD2 LYS 30 HD2 LYS 30 -9.580 4.075 5.581 222 HD3 LYS 30 HD1 LYS 30 -9.134 4.449 7.251 223 HE2 LYS 30 HE2 LYS 30 -9.656 6.780 6.916 224 HE3 LYS 30 HE1 LYS 30 -9.945 6.498 5.205 225 HZ1 LYS 30 HZ1 LYS 30 -12.003 6.682 6.404 226 HZ2 LYS 30 HZ2 LYS 30 -11.584 5.425 7.450 227 HZ3 LYS 30 HZ3 LYS 30 -11.864 5.113 5.823 228 H SER 31 HN SER 31 -6.946 0.940 7.737 229 HA SER 31 HA SER 31 -4.593 -0.225 6.495 230 HB2 SER 31 HB2 SER 31 -4.914 -1.000 8.682 231 HB3 SER 31 HB1 SER 31 -6.657 -1.290 8.464 232 HG SER 31 HG SER 31 -4.409 -2.751 7.528 233 H PHE 32 HN PHE 32 -4.847 -2.000 5.008 234 HA PHE 32 HA PHE 32 -6.510 -1.145 2.923 235 HB2 PHE 32 HB2 PHE 32 -4.831 -3.623 3.215 236 HB3 PHE 32 HB1 PHE 32 -5.676 -3.182 1.734 237 HD1 PHE 32 HD1 PHE 32 -2.973 -2.217 4.045 238 HD2 PHE 32 HD2 PHE 32 -4.885 -1.433 0.326 239 HE1 PHE 32 HE1 PHE 32 -1.089 -0.784 3.382 240 HE2 PHE 32 HE2 PHE 32 -3.000 -0.005 -0.349 241 HZ PHE 32 HZ PHE 32 -1.099 0.321 1.181 242 H THR 33 HN THR 33 -6.928 -3.792 5.186 243 HA THR 33 HA THR 33 -9.609 -3.771 4.218 244 HB THR 33 HB THR 33 -8.781 -5.589 3.026 245 HG1 THR 33 HG1 THR 33 -10.393 -6.841 3.507 246 HG21 THR 33 HG21 THR 33 -7.685 -7.574 4.038 247 HG22 THR 33 HG22 THR 33 -7.674 -6.743 5.592 248 HG23 THR 33 HG23 THR 33 -6.738 -6.100 4.244 249 H ASP 34 HN ASP 34 -9.839 -2.517 5.950 250 HA ASP 34 HA ASP 34 -11.119 -3.774 8.095 251 HB2 ASP 34 HB2 ASP 34 -8.717 -4.018 8.898 252 HB3 ASP 34 HB1 ASP 34 -8.621 -2.258 8.915 253 H ASP 35 HN ASP 35 -9.222 -0.941 7.337 254 HA ASP 35 HA ASP 35 -11.482 0.800 7.999 255 HB2 ASP 35 HB2 ASP 35 -8.713 1.609 7.045 256 HB3 ASP 35 HB1 ASP 35 -9.944 2.651 7.735 257 H LEU 36 HN LEU 36 -9.264 0.004 5.326 258 HA LEU 36 HA LEU 36 -10.730 1.598 3.484 259 HB2 LEU 36 HB2 LEU 36 -8.461 -0.346 3.153 260 HB3 LEU 36 HB1 LEU 36 -9.193 0.503 1.812 261 HG LEU 36 HG LEU 36 -7.768 1.786 4.132 262 HD11 LEU 36 HD11 LEU 36 -6.988 1.472 1.233 263 HD12 LEU 36 HD12 LEU 36 -6.263 0.618 2.595 264 HD13 LEU 36 HD13 LEU 36 -6.087 2.368 2.457 265 HD21 LEU 36 HD21 LEU 36 -8.044 3.845 2.849 266 HD22 LEU 36 HD22 LEU 36 -9.599 3.124 3.295 267 HD23 LEU 36 HD23 LEU 36 -8.989 2.953 1.648 268 H ASP 37 HN ASP 37 -11.596 0.685 1.522 269 HA ASP 37 HA ASP 37 -13.175 -1.631 2.277 270 HB2 ASP 37 HB2 ASP 37 -14.461 0.470 1.992 271 HB3 ASP 37 HB1 ASP 37 -13.887 0.581 0.335 272 H VAL 38 HN VAL 38 -11.325 -2.689 1.659 273 HA VAL 38 HA VAL 38 -11.366 -3.524 -1.180 274 HB VAL 38 HB VAL 38 -8.995 -3.694 0.730 275 HG11 VAL 38 HG11 VAL 38 -8.954 -5.413 -0.973 276 HG12 VAL 38 HG12 VAL 38 -7.668 -4.240 -1.256 277 HG13 VAL 38 HG13 VAL 38 -9.129 -4.198 -2.239 278 HG21 VAL 38 HG21 VAL 38 -9.389 -1.356 0.216 279 HG22 VAL 38 HG22 VAL 38 -9.403 -1.716 -1.511 280 HG23 VAL 38 HG23 VAL 38 -7.918 -1.916 -0.578 281 H ASP 39 HN ASP 39 -11.445 -5.835 -1.393 282 HA ASP 39 HA ASP 39 -12.638 -7.246 0.746 283 HB2 ASP 39 HB2 ASP 39 -12.901 -7.849 -1.677 284 HB3 ASP 39 HB1 ASP 39 -11.266 -8.487 -1.660 285 H SER 40 HN SER 40 -9.675 -8.429 -0.638 286 HA SER 40 HA SER 40 -7.965 -7.703 1.395 287 HB2 SER 40 HB2 SER 40 -7.534 -9.738 2.686 288 HB3 SER 40 HB1 SER 40 -9.210 -9.198 2.846 289 H LEU 41 HN LEU 41 -8.189 -10.880 -0.228 290 HA LEU 41 HA LEU 41 -5.480 -10.912 -0.866 291 HB2 LEU 41 HB2 LEU 41 -7.760 -12.394 -2.140 292 HB3 LEU 41 HB1 LEU 41 -6.164 -12.507 -2.835 293 HG LEU 41 HG LEU 41 -5.385 -13.370 -0.580 294 HD11 LEU 41 HD11 LEU 41 -8.332 -13.662 -0.133 295 HD12 LEU 41 HD12 LEU 41 -7.236 -12.612 0.763 296 HD13 LEU 41 HD13 LEU 41 -7.054 -14.363 0.859 297 HD21 LEU 41 HD21 LEU 41 -6.198 -15.630 -1.028 298 HD22 LEU 41 HD22 LEU 41 -5.677 -14.808 -2.498 299 HD23 LEU 41 HD23 LEU 41 -7.397 -14.972 -2.141 300 H SER 42 HN SER 42 -8.060 -9.341 -2.386 301 HA SER 42 HA SER 42 -7.100 -8.892 -4.939 302 HB2 SER 42 HB2 SER 42 -8.829 -7.144 -3.222 303 HB3 SER 42 HB1 SER 42 -8.833 -7.201 -5.003 304 HG SER 42 HG SER 42 -9.312 -9.527 -4.656 305 H MET 43 HN MET 43 -6.185 -7.458 -1.887 306 HA MET 43 HA MET 43 -5.061 -5.065 -2.935 307 HB2 MET 43 HB2 MET 43 -5.780 -5.428 -0.540 308 HB3 MET 43 HB1 MET 43 -4.408 -6.490 -0.336 309 HG2 MET 43 HG2 MET 43 -4.181 -3.572 -1.057 310 HG3 MET 43 HG1 MET 43 -4.173 -4.172 0.591 311 HE1 MET 43 HE1 MET 43 -0.859 -6.337 0.546 312 HE2 MET 43 HE2 MET 43 -2.490 -6.887 0.145 313 HE3 MET 43 HE3 MET 43 -2.233 -5.821 1.513 314 H VAL 44 HN VAL 44 -4.073 -8.341 -2.817 315 HA VAL 44 HA VAL 44 -1.289 -7.943 -2.917 316 HB VAL 44 HB VAL 44 -2.825 -10.274 -4.104 317 HG11 VAL 44 HG11 VAL 44 -0.496 -10.211 -4.828 318 HG12 VAL 44 HG12 VAL 44 -0.781 -11.560 -3.725 319 HG13 VAL 44 HG13 VAL 44 0.033 -10.108 -3.147 320 HG21 VAL 44 HG21 VAL 44 -1.808 -9.862 -1.282 321 HG22 VAL 44 HG22 VAL 44 -2.454 -11.371 -1.927 322 HG23 VAL 44 HG23 VAL 44 -3.478 -9.948 -1.836 323 H GLU 45 HN GLU 45 -3.776 -7.590 -5.279 324 HA GLU 45 HA GLU 45 -2.035 -7.522 -7.564 325 HB2 GLU 45 HB2 GLU 45 -4.862 -6.495 -7.215 326 HB3 GLU 45 HB1 GLU 45 -4.016 -6.643 -8.747 327 HG2 GLU 45 HG2 GLU 45 -4.794 -8.899 -6.921 328 HG3 GLU 45 HG1 GLU 45 -5.586 -8.456 -8.432 329 H VAL 46 HN VAL 46 -3.024 -5.399 -5.091 330 HA VAL 46 HA VAL 46 -2.412 -2.900 -6.391 331 HB VAL 46 HB VAL 46 -2.669 -3.534 -3.424 332 HG11 VAL 46 HG11 VAL 46 -2.717 -0.873 -4.834 333 HG12 VAL 46 HG12 VAL 46 -1.438 -1.486 -3.782 334 HG13 VAL 46 HG13 VAL 46 -3.035 -1.137 -3.120 335 HG21 VAL 46 HG21 VAL 46 -4.915 -2.573 -3.562 336 HG22 VAL 46 HG22 VAL 46 -4.752 -4.008 -4.579 337 HG23 VAL 46 HG23 VAL 46 -4.724 -2.402 -5.309 338 H VAL 47 HN VAL 47 -1.035 -4.683 -3.678 339 HA VAL 47 HA VAL 47 1.236 -3.165 -3.346 340 HB VAL 47 HB VAL 47 0.502 -4.755 -1.641 341 HG11 VAL 47 HG11 VAL 47 1.021 -7.126 -1.763 342 HG12 VAL 47 HG12 VAL 47 1.631 -6.908 -3.406 343 HG13 VAL 47 HG13 VAL 47 -0.073 -6.627 -3.058 344 HG21 VAL 47 HG21 VAL 47 2.753 -3.884 -1.511 345 HG22 VAL 47 HG22 VAL 47 3.346 -5.194 -2.525 346 HG23 VAL 47 HG23 VAL 47 2.714 -5.546 -0.911 347 H VAL 48 HN VAL 48 0.963 -5.919 -5.561 348 HA VAL 48 HA VAL 48 3.731 -5.996 -6.135 349 HB VAL 48 HB VAL 48 2.184 -7.881 -6.641 350 HG11 VAL 48 HG11 VAL 48 0.278 -6.696 -7.495 351 HG12 VAL 48 HG12 VAL 48 0.831 -7.883 -8.678 352 HG13 VAL 48 HG13 VAL 48 1.198 -6.174 -8.906 353 HG21 VAL 48 HG21 VAL 48 3.167 -8.537 -8.800 354 HG22 VAL 48 HG22 VAL 48 4.360 -7.856 -7.693 355 HG23 VAL 48 HG23 VAL 48 3.737 -6.883 -9.024 356 H ALA 49 HN ALA 49 1.114 -4.093 -7.401 357 HA ALA 49 HA ALA 49 2.703 -2.933 -9.526 358 HB1 ALA 49 HB1 ALA 49 -0.084 -2.276 -8.548 359 HB2 ALA 49 HB2 ALA 49 0.310 -3.349 -9.887 360 HB3 ALA 49 HB3 ALA 49 0.673 -1.625 -10.003 361 H ALA 50 HN ALA 50 2.090 -2.473 -6.283 362 HA ALA 50 HA ALA 50 2.510 0.380 -6.110 363 HB1 ALA 50 HB1 ALA 50 1.086 -0.842 -4.505 364 HB2 ALA 50 HB2 ALA 50 2.435 0.013 -3.725 365 HB3 ALA 50 HB3 ALA 50 2.536 -1.729 -4.012 366 H GLU 51 HN GLU 51 4.278 -2.501 -5.121 367 HA GLU 51 HA GLU 51 6.469 -1.174 -4.092 368 HB2 GLU 51 HB2 GLU 51 7.653 -3.347 -4.332 369 HB3 GLU 51 HB1 GLU 51 6.063 -3.505 -3.600 370 HG2 GLU 51 HG2 GLU 51 5.177 -4.183 -5.818 371 HG3 GLU 51 HG1 GLU 51 6.852 -4.008 -6.367 372 H GLU 52 HN GLU 52 5.982 -2.379 -7.396 373 HA GLU 52 HA GLU 52 8.479 -1.541 -8.391 374 HB2 GLU 52 HB2 GLU 52 7.384 -1.672 -10.639 375 HB3 GLU 52 HB1 GLU 52 7.230 -3.127 -9.666 376 HG2 GLU 52 HG2 GLU 52 4.978 -2.709 -9.198 377 HG3 GLU 52 HG1 GLU 52 5.062 -1.048 -9.761 378 H ARG 53 HN ARG 53 5.388 0.090 -8.118 379 HA ARG 53 HA ARG 53 5.912 2.374 -9.669 380 HB2 ARG 53 HB2 ARG 53 3.656 1.704 -8.950 381 HB3 ARG 53 HB1 ARG 53 4.082 2.023 -7.282 382 HG2 ARG 53 HG2 ARG 53 2.788 3.856 -7.953 383 HG3 ARG 53 HG1 ARG 53 4.446 4.437 -7.996 384 HD2 ARG 53 HD2 ARG 53 2.787 3.556 -10.369 385 HD3 ARG 53 HD1 ARG 53 3.189 5.213 -9.936 386 HE ARG 53 HE ARG 53 5.053 3.181 -10.929 387 HH11 ARG 53 HH11 ARG 53 4.284 6.631 -10.357 388 HH12 ARG 53 HH12 ARG 53 5.591 7.199 -11.270 389 HH21 ARG 53 HH21 ARG 53 6.831 3.983 -12.120 390 HH22 ARG 53 HH22 ARG 53 7.106 5.674 -12.278 391 H PHE 54 HN PHE 54 6.415 1.653 -6.272 392 HA PHE 54 HA PHE 54 7.395 4.327 -5.784 393 HB2 PHE 54 HB2 PHE 54 7.072 2.013 -3.879 394 HB3 PHE 54 HB1 PHE 54 7.529 3.652 -3.423 395 HD1 PHE 54 HD2 PHE 54 5.824 5.416 -4.718 396 HD2 PHE 54 HD1 PHE 54 4.942 1.510 -3.317 397 HE1 PHE 54 HE2 PHE 54 3.453 6.023 -4.517 398 HE2 PHE 54 HE1 PHE 54 2.582 2.107 -3.123 399 HZ PHE 54 HZ PHE 54 1.831 4.365 -3.793 400 H ASP 55 HN ASP 55 8.809 1.881 -7.223 401 HA ASP 55 HA ASP 55 10.946 1.214 -7.652 402 HB2 ASP 55 HB2 ASP 55 11.717 3.675 -6.044 403 HB3 ASP 55 HB1 ASP 55 12.844 2.705 -6.975 404 H VAL 56 HN VAL 56 9.588 0.178 -5.355 405 HA VAL 56 HA VAL 56 11.885 -0.455 -3.656 406 HB VAL 56 HB VAL 56 10.139 1.029 -2.586 407 HG11 VAL 56 HG11 VAL 56 8.347 -1.359 -2.766 408 HG12 VAL 56 HG12 VAL 56 8.128 0.205 -3.553 409 HG13 VAL 56 HG13 VAL 56 8.036 0.076 -1.796 410 HG21 VAL 56 HG21 VAL 56 10.540 -1.644 -1.259 411 HG22 VAL 56 HG22 VAL 56 9.990 -0.177 -0.448 412 HG23 VAL 56 HG23 VAL 56 11.605 -0.242 -1.150 413 H LYS 57 HN LYS 57 11.189 -2.646 -2.367 414 HA LYS 57 HA LYS 57 9.722 -4.394 -4.139 415 HB2 LYS 57 HB2 LYS 57 12.072 -4.915 -4.610 416 HB3 LYS 57 HB1 LYS 57 12.433 -4.995 -2.889 417 HG2 LYS 57 HG2 LYS 57 12.250 -7.224 -3.952 418 HG3 LYS 57 HG1 LYS 57 11.084 -6.985 -2.645 419 HD2 LYS 57 HD2 LYS 57 9.494 -6.212 -4.529 420 HD3 LYS 57 HD1 LYS 57 10.631 -7.028 -5.607 421 HE2 LYS 57 HE2 LYS 57 10.244 -9.123 -4.563 422 HE3 LYS 57 HE1 LYS 57 9.389 -8.368 -3.218 423 HZ1 LYS 57 HZ1 LYS 57 8.427 -8.600 -6.032 424 HZ2 LYS 57 HZ2 LYS 57 7.727 -7.608 -4.867 425 HZ3 LYS 57 HZ3 LYS 57 7.755 -9.284 -4.625 426 H ILE 58 HN ILE 58 8.123 -5.256 -3.060 427 HA ILE 58 HA ILE 58 8.411 -5.390 -0.136 428 HB ILE 58 HB ILE 58 5.843 -5.043 -1.728 429 HG12 ILE 58 HG12 ILE 58 7.235 -3.022 0.037 430 HG13 ILE 58 HG11 ILE 58 7.468 -3.086 -1.703 431 HG21 ILE 58 HG21 ILE 58 5.538 -6.235 0.404 432 HG22 ILE 58 HG22 ILE 58 4.830 -4.622 0.480 433 HG23 ILE 58 HG23 ILE 58 6.385 -4.941 1.253 434 HD11 ILE 58 HD11 ILE 58 4.843 -2.634 -0.311 435 HD12 ILE 58 HD12 ILE 58 5.133 -2.650 -2.057 436 HD13 ILE 58 HD13 ILE 58 5.856 -1.392 -1.056 437 HA PRO 59 HA PRO 59 8.279 -9.806 -1.207 438 HB2 PRO 59 HB2 PRO 59 8.844 -9.991 1.686 439 HB3 PRO 59 HB1 PRO 59 9.755 -10.649 0.323 440 HG2 PRO 59 HG2 PRO 59 10.703 -8.593 1.720 441 HG3 PRO 59 HG1 PRO 59 10.895 -8.660 -0.042 442 HD2 PRO 59 HD2 PRO 59 8.899 -7.130 1.585 443 HD3 PRO 59 HD1 PRO 59 9.868 -6.587 0.198 444 H ASP 60 HN ASP 60 6.916 -11.464 -0.769 445 HA ASP 60 HA ASP 60 4.242 -10.713 -0.406 446 HB2 ASP 60 HB2 ASP 60 5.484 -13.459 -0.499 447 HB3 ASP 60 HB1 ASP 60 3.749 -13.191 -0.425 448 H ASP 61 HN ASP 61 6.413 -12.274 1.853 449 HA ASP 61 HA ASP 61 4.255 -12.697 3.749 450 HB2 ASP 61 HB2 ASP 61 6.038 -14.349 3.677 451 HB3 ASP 61 HB1 ASP 61 7.236 -13.114 4.032 452 H ASP 62 HN ASP 62 6.779 -10.434 3.183 453 HA ASP 62 HA ASP 62 6.608 -9.020 5.631 454 HB2 ASP 62 HB2 ASP 62 7.616 -8.206 2.905 455 HB3 ASP 62 HB1 ASP 62 7.583 -7.076 4.252 456 H VAL 63 HN VAL 63 4.803 -8.897 2.694 457 HA VAL 63 HA VAL 63 3.235 -6.605 3.078 458 HB VAL 63 HB VAL 63 2.387 -9.291 1.916 459 HG11 VAL 63 HG11 VAL 63 0.656 -8.042 0.719 460 HG12 VAL 63 HG12 VAL 63 1.137 -6.569 1.564 461 HG13 VAL 63 HG13 VAL 63 0.452 -7.921 2.466 462 HG21 VAL 63 HG21 VAL 63 3.449 -6.827 0.539 463 HG22 VAL 63 HG22 VAL 63 2.859 -8.285 -0.264 464 HG23 VAL 63 HG23 VAL 63 4.299 -8.359 0.748 465 H LYS 64 HN LYS 64 2.763 -9.931 4.187 466 HA LYS 64 HA LYS 64 0.234 -9.613 5.439 467 HB2 LYS 64 HB2 LYS 64 2.362 -11.650 6.081 468 HB3 LYS 64 HB1 LYS 64 0.641 -11.786 6.391 469 HG2 LYS 64 HG2 LYS 64 0.184 -11.927 4.029 470 HG3 LYS 64 HG1 LYS 64 1.891 -11.646 3.655 471 HD2 LYS 64 HD2 LYS 64 2.443 -13.699 4.944 472 HD3 LYS 64 HD1 LYS 64 0.715 -13.996 5.125 473 HE2 LYS 64 HE2 LYS 64 2.205 -13.818 2.508 474 HE3 LYS 64 HE1 LYS 64 1.714 -15.306 3.308 475 HZ1 LYS 64 HZ1 LYS 64 -0.091 -13.227 2.159 476 HZ2 LYS 64 HZ2 LYS 64 -0.609 -14.569 3.069 477 HZ3 LYS 64 HZ3 LYS 64 0.200 -14.794 1.610 478 H ASN 65 HN ASN 65 3.350 -8.707 6.384 479 HA ASN 65 HA ASN 65 2.917 -8.857 9.242 480 HB2 ASN 65 HB2 ASN 65 5.231 -8.150 7.514 481 HB3 ASN 65 HB1 ASN 65 5.199 -7.542 9.160 482 HD21 ASN 65 HD21 ASN 65 5.364 -10.413 7.151 483 HD22 ASN 65 HD22 ASN 65 5.913 -11.439 8.408 484 H LEU 66 HN LEU 66 2.311 -6.579 6.778 485 HA LEU 66 HA LEU 66 2.630 -4.338 8.596 486 HB2 LEU 66 HB2 LEU 66 1.707 -4.409 5.733 487 HB3 LEU 66 HB1 LEU 66 1.984 -2.961 6.679 488 HG LEU 66 HG LEU 66 4.073 -4.950 5.810 489 HD11 LEU 66 HD11 LEU 66 3.232 -3.554 4.042 490 HD12 LEU 66 HD12 LEU 66 4.875 -3.043 4.490 491 HD13 LEU 66 HD13 LEU 66 3.460 -2.137 5.065 492 HD21 LEU 66 HD21 LEU 66 5.688 -3.377 6.771 493 HD22 LEU 66 HD22 LEU 66 4.610 -4.016 8.012 494 HD23 LEU 66 HD23 LEU 66 4.364 -2.386 7.385 495 H LYS 67 HN LYS 67 0.711 -2.705 8.428 496 HA LYS 67 HA LYS 67 -1.767 -4.231 8.673 497 HB2 LYS 67 HB2 LYS 67 -0.803 -2.102 10.587 498 HB3 LYS 67 HB1 LYS 67 -2.357 -2.922 10.671 499 HG2 LYS 67 HG2 LYS 67 -1.243 -5.042 11.042 500 HG3 LYS 67 HG1 LYS 67 0.318 -4.239 10.849 501 HD2 LYS 67 HD2 LYS 67 -1.619 -3.372 12.992 502 HD3 LYS 67 HD1 LYS 67 -0.563 -4.752 13.253 503 HE2 LYS 67 HE2 LYS 67 0.424 -2.761 14.224 504 HE3 LYS 67 HE1 LYS 67 1.395 -3.307 12.868 505 HZ1 LYS 67 HZ1 LYS 67 0.459 -1.492 11.523 506 HZ2 LYS 67 HZ2 LYS 67 1.120 -0.885 12.925 507 HZ3 LYS 67 HZ3 LYS 67 -0.547 -1.050 12.788 508 H THR 68 HN THR 68 -0.848 -0.819 9.029 509 HA THR 68 HA THR 68 -3.173 -0.143 7.392 510 HB THR 68 HB THR 68 -2.782 2.181 8.238 511 HG1 THR 68 HG1 THR 68 -0.793 0.848 9.809 512 HG21 THR 68 HG21 THR 68 -3.046 0.032 10.355 513 HG22 THR 68 HG22 THR 68 -4.365 0.716 9.399 514 HG23 THR 68 HG23 THR 68 -3.499 1.722 10.556 515 H VAL 69 HN VAL 69 -2.772 2.073 6.138 516 HA VAL 69 HA VAL 69 -0.653 1.596 4.299 517 HB VAL 69 HB VAL 69 -1.300 3.717 3.195 518 HG11 VAL 69 HG11 VAL 69 -3.591 3.111 2.570 519 HG12 VAL 69 HG12 VAL 69 -3.665 2.009 3.946 520 HG13 VAL 69 HG13 VAL 69 -2.536 1.698 2.629 521 HG21 VAL 69 HG21 VAL 69 -3.189 5.013 4.010 522 HG22 VAL 69 HG22 VAL 69 -1.865 5.006 5.177 523 HG23 VAL 69 HG23 VAL 69 -3.283 3.987 5.433 524 H GLY 70 HN GLY 70 -0.935 3.232 7.256 525 HA2 GLY 70 HA2 GLY 70 1.294 4.965 6.967 526 HA3 GLY 70 HA1 GLY 70 0.571 4.422 8.483 527 H ASP 71 HN ASP 71 0.794 1.615 7.698 528 HA ASP 71 HA ASP 71 3.534 1.251 8.530 529 HB2 ASP 71 HB2 ASP 71 1.431 -0.824 7.929 530 HB3 ASP 71 HB1 ASP 71 2.987 -1.119 8.707 531 H ALA 72 HN ALA 72 1.612 0.889 5.712 532 HA ALA 72 HA ALA 72 3.393 -0.593 4.117 533 HB1 ALA 72 HB1 ALA 72 2.118 0.297 2.223 534 HB2 ALA 72 HB2 ALA 72 1.369 1.488 3.283 535 HB3 ALA 72 HB3 ALA 72 1.038 -0.228 3.515 536 H THR 73 HN THR 73 2.810 2.876 4.380 537 HA THR 73 HA THR 73 4.705 3.800 2.654 538 HB THR 73 HB THR 73 4.622 5.894 4.136 539 HG1 THR 73 HG1 THR 73 2.412 4.657 5.309 540 HG21 THR 73 HG21 THR 73 2.034 4.707 3.156 541 HG22 THR 73 HG22 THR 73 3.220 5.528 2.151 542 HG23 THR 73 HG23 THR 73 2.364 6.422 3.409 543 H LYS 74 HN LYS 74 5.085 3.336 6.189 544 HA LYS 74 HA LYS 74 7.725 4.190 6.390 545 HB2 LYS 74 HB2 LYS 74 6.335 2.107 8.077 546 HB3 LYS 74 HB1 LYS 74 7.906 2.789 8.450 547 HG2 LYS 74 HG2 LYS 74 6.784 5.043 8.528 548 HG3 LYS 74 HG1 LYS 74 5.247 4.180 8.416 549 HD2 LYS 74 HD2 LYS 74 7.327 3.776 10.580 550 HD3 LYS 74 HD1 LYS 74 5.854 4.723 10.753 551 HE2 LYS 74 HE2 LYS 74 5.962 1.757 10.162 552 HE3 LYS 74 HE1 LYS 74 5.682 2.459 11.753 553 HZ1 LYS 74 HZ1 LYS 74 3.680 3.502 10.879 554 HZ2 LYS 74 HZ2 LYS 74 3.575 1.824 10.683 555 HZ3 LYS 74 HZ3 LYS 74 3.947 2.831 9.378 556 H TYR 75 HN TYR 75 6.533 0.979 5.522 557 HA TYR 75 HA TYR 75 9.096 -0.251 5.653 558 HB2 TYR 75 HB2 TYR 75 6.908 -1.491 5.737 559 HB3 TYR 75 HB1 TYR 75 6.697 -1.140 4.026 560 HD1 TYR 75 HD1 TYR 75 8.700 -3.059 6.475 561 HD2 TYR 75 HD2 TYR 75 7.890 -2.346 2.361 562 HE1 TYR 75 HE1 TYR 75 9.938 -5.092 5.892 563 HE2 TYR 75 HE2 TYR 75 9.127 -4.371 1.756 564 HH TYR 75 HH TYR 75 10.867 -5.762 2.679 565 H ILE 76 HN ILE 76 7.209 1.211 3.127 566 HA ILE 76 HA ILE 76 8.852 0.623 0.921 567 HB ILE 76 HB ILE 76 6.867 2.851 1.397 568 HG12 ILE 76 HG12 ILE 76 6.640 0.317 -0.225 569 HG13 ILE 76 HG11 ILE 76 6.072 0.488 1.434 570 HG21 ILE 76 HG21 ILE 76 8.434 3.541 -0.343 571 HG22 ILE 76 HG22 ILE 76 6.854 3.178 -1.040 572 HG23 ILE 76 HG23 ILE 76 8.178 2.019 -1.200 573 HD11 ILE 76 HD11 ILE 76 5.136 2.052 -0.935 574 HD12 ILE 76 HD12 ILE 76 4.610 2.249 0.738 575 HD13 ILE 76 HD13 ILE 76 4.259 0.736 -0.123 576 H LEU 77 HN LEU 77 8.577 3.695 2.755 577 HA LEU 77 HA LEU 77 10.772 4.849 1.368 578 HB2 LEU 77 HB2 LEU 77 10.682 6.676 3.073 579 HB3 LEU 77 HB1 LEU 77 9.194 6.392 2.205 580 HG LEU 77 HG LEU 77 8.410 5.109 4.266 581 HD11 LEU 77 HD11 LEU 77 9.437 5.689 6.394 582 HD12 LEU 77 HD12 LEU 77 10.742 6.514 5.540 583 HD13 LEU 77 HD13 LEU 77 10.535 4.770 5.363 584 HD21 LEU 77 HD21 LEU 77 7.581 7.287 3.662 585 HD22 LEU 77 HD22 LEU 77 8.944 8.060 4.472 586 HD23 LEU 77 HD23 LEU 77 7.751 7.164 5.414 587 H ASP 78 HN ASP 78 10.700 2.791 3.983 588 HA ASP 78 HA ASP 78 13.334 3.389 4.955 589 HB2 ASP 78 HB2 ASP 78 11.788 2.192 6.386 590 HB3 ASP 78 HB1 ASP 78 11.637 0.897 5.209 591 H HIS 79 HN HIS 79 12.005 1.252 2.546 592 HA HIS 79 HA HIS 79 14.627 0.098 1.947 593 HB2 HIS 79 HB2 HIS 79 11.841 -0.644 1.107 594 HB3 HIS 79 HB1 HIS 79 13.250 -1.304 0.302 595 HD1 HIS 79 HD1 HIS 79 13.296 -3.630 1.004 596 HD2 HIS 79 HD2 HIS 79 12.586 -1.112 4.226 597 HE1 HIS 79 HE1 HIS 79 13.211 -5.128 3.024 598 HE2 HIS 79 HE2 HIS 79 12.912 -3.603 4.965 599 H GLN 80 HN GLN 80 13.064 2.795 0.962 600 HA GLN 80 HA GLN 80 13.612 2.568 -1.879 601 HB2 GLN 80 HB2 GLN 80 12.571 4.782 -0.165 602 HB3 GLN 80 HB1 GLN 80 13.150 5.118 -1.781 603 HG2 GLN 80 HG2 GLN 80 11.469 3.520 -2.652 604 HG3 GLN 80 HG1 GLN 80 10.859 3.335 -1.001 605 HE21 GLN 80 HE21 GLN 80 9.800 4.996 -0.054 606 HE22 GLN 80 HE22 GLN 80 9.295 6.434 -0.864 607 H ALA 81 HN ALA 81 14.710 4.725 -2.773 608 HA ALA 81 HA ALA 81 17.166 5.239 -1.299 609 HB1 ALA 81 HB1 ALA 81 16.940 4.595 -4.253 610 HB2 ALA 81 HB2 ALA 81 17.682 3.565 -3.031 611 HB3 ALA 81 HB3 ALA 81 18.410 5.123 -3.431 612 H28 SXO 101 H28B SXO 101 -7.093 -11.458 4.299 613 H28A SXO 101 H28A SXO 101 -6.462 -11.755 2.677 614 H30 SXO 101 H30A SXO 101 -5.872 -14.357 5.951 615 H30A SXO 101 H30C SXO 101 -6.476 -12.698 6.059 616 H30B SXO 101 H30B SXO 101 -7.508 -13.957 5.338 617 H31 SXO 101 H31A SXO 101 -5.148 -15.196 3.716 618 H31A SXO 101 H31B SXO 101 -5.471 -14.176 2.304 619 H31B SXO 101 H31C SXO 101 -6.813 -14.907 3.186 620 H32 SXO 101 H32A SXO 101 -4.560 -11.769 5.049 621 HO33 SXO 101 H33A SXO 101 -2.999 -13.852 4.430 622 HN36 SXO 101 H36A SXO 101 -5.079 -10.883 2.781 623 H37 SXO 101 H37A SXO 101 -3.050 -11.505 0.745 624 H37A SXO 101 H37B SXO 101 -4.575 -10.687 0.507 625 H38 SXO 101 H38B SXO 101 -2.929 -8.998 0.336 626 H38A SXO 101 H38A SXO 101 -2.151 -9.572 1.828 627 HN41 SXO 101 H41A SXO 101 -3.265 -9.437 3.785 628 H42 SXO 101 H42A SXO 101 -4.230 -6.819 4.269 629 H42A SXO 101 H42B SXO 101 -5.465 -8.017 4.527 630 H43 SXO 101 H43B SXO 101 -4.281 -7.615 6.591 631 H43A SXO 101 H43A SXO 101 -3.886 -9.242 5.974 632 H2 SXO 101 H2A SXO 101 -0.174 -6.086 5.167 633 H2A SXO 101 H2B SXO 101 -0.721 -4.554 5.853 634 H3 SXO 101 H3B SXO 101 -1.275 -5.583 3.082 635 H3A SXO 101 H3A SXO 101 -1.864 -4.055 3.744 636 H4 SXO 101 H4A SXO 101 1.034 -4.825 3.390 637 H4A SXO 101 H4B SXO 101 0.446 -3.296 4.048 638 H5 SXO 101 H5B SXO 101 -0.009 -4.354 1.265 639 H5A SXO 101 H5A SXO 101 -0.733 -2.884 1.913 640 H6 SXO 101 H6A SXO 101 2.206 -3.427 1.528 641 H6A SXO 101 H6B SXO 101 1.532 -1.977 2.279 642 H7 SXO 101 H7A SXO 101 0.306 -1.491 0.175 643 H7A SXO 101 H7B SXO 101 1.067 -2.909 -0.568 644 H8 SXO 101 H8C SXO 101 2.239 -0.860 -1.142 645 H8A SXO 101 H8A SXO 101 3.258 -1.921 -0.171 646 H8B SXO 101 H8B SXO 101 2.492 -0.516 0.570 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 12.694 9.573 -3.418 2 H2 ALA 1 HT2 ALA 1 13.128 7.934 -3.556 3 H3 ALA 1 HT3 ALA 1 11.954 8.436 -2.436 4 HA ALA 1 HA ALA 1 11.737 8.877 -5.345 5 HB1 ALA 1 HB1 ALA 1 10.165 7.019 -5.474 6 HB2 ALA 1 HB2 ALA 1 10.414 6.670 -3.763 7 HB3 ALA 1 HB3 ALA 1 11.739 6.459 -4.907 8 H ALA 2 HN ALA 2 9.685 8.268 -2.446 9 HA ALA 2 HA ALA 2 8.394 10.866 -2.605 10 HB1 ALA 2 HB1 ALA 2 7.163 9.514 -4.347 11 HB2 ALA 2 HB2 ALA 2 6.181 9.959 -2.951 12 HB3 ALA 2 HB3 ALA 2 6.823 8.322 -3.093 13 H THR 3 HN THR 3 7.143 11.276 -0.934 14 HA THR 3 HA THR 3 8.110 9.681 1.222 15 HB THR 3 HB THR 3 7.354 11.692 2.618 16 HG1 THR 3 HG1 THR 3 7.232 12.761 -0.020 17 HG21 THR 3 HG21 THR 3 9.570 12.735 2.283 18 HG22 THR 3 HG22 THR 3 9.751 11.762 0.808 19 HG23 THR 3 HG23 THR 3 9.617 10.972 2.378 20 H GLN 4 HN GLN 4 6.493 10.070 3.363 21 HA GLN 4 HA GLN 4 4.887 7.900 2.746 22 HB2 GLN 4 HB2 GLN 4 3.961 7.977 4.987 23 HB3 GLN 4 HB1 GLN 4 5.703 8.129 4.967 24 HG2 GLN 4 HG2 GLN 4 5.524 10.496 5.422 25 HG3 GLN 4 HG1 GLN 4 3.759 10.391 5.343 26 HE21 GLN 4 HE21 GLN 4 3.500 11.071 7.481 27 HE22 GLN 4 HE22 GLN 4 3.911 10.014 8.796 28 H GLU 5 HN GLU 5 3.816 11.251 2.808 29 HA GLU 5 HA GLU 5 1.066 10.442 2.731 30 HB2 GLU 5 HB2 GLU 5 1.803 12.664 3.617 31 HB3 GLU 5 HB1 GLU 5 2.296 13.114 1.995 32 HG2 GLU 5 HG2 GLU 5 -0.028 12.898 1.242 33 HG3 GLU 5 HG1 GLU 5 -0.509 12.491 2.889 34 H GLU 6 HN GLU 6 3.580 11.188 0.481 35 HA GLU 6 HA GLU 6 1.979 11.185 -1.889 36 HB2 GLU 6 HB2 GLU 6 4.921 10.618 -1.563 37 HB3 GLU 6 HB1 GLU 6 4.110 11.007 -3.073 38 HG2 GLU 6 HG2 GLU 6 3.599 13.221 -2.245 39 HG3 GLU 6 HG1 GLU 6 4.340 12.823 -0.694 40 H ILE 7 HN ILE 7 3.856 8.816 -0.118 41 HA ILE 7 HA ILE 7 3.682 6.696 -1.853 42 HB ILE 7 HB ILE 7 3.755 6.653 1.159 43 HG12 ILE 7 HG12 ILE 7 5.740 7.672 0.181 44 HG13 ILE 7 HG11 ILE 7 6.159 6.112 0.875 45 HG21 ILE 7 HG21 ILE 7 4.525 4.297 0.987 46 HG22 ILE 7 HG22 ILE 7 4.227 4.351 -0.748 47 HG23 ILE 7 HG23 ILE 7 2.882 4.515 0.382 48 HD11 ILE 7 HD11 ILE 7 5.713 6.678 -2.047 49 HD12 ILE 7 HD12 ILE 7 6.191 5.128 -1.352 50 HD13 ILE 7 HD13 ILE 7 7.272 6.517 -1.246 51 H VAL 8 HN VAL 8 1.618 7.502 0.975 52 HA VAL 8 HA VAL 8 -0.309 5.504 0.642 53 HB VAL 8 HB VAL 8 -0.648 8.256 1.902 54 HG11 VAL 8 HG11 VAL 8 -2.564 7.292 3.063 55 HG12 VAL 8 HG12 VAL 8 -2.357 5.790 2.163 56 HG13 VAL 8 HG13 VAL 8 -2.809 7.271 1.318 57 HG21 VAL 8 HG21 VAL 8 1.063 6.888 2.965 58 HG22 VAL 8 HG22 VAL 8 -0.100 5.564 3.116 59 HG23 VAL 8 HG23 VAL 8 -0.358 7.067 3.999 60 H ALA 9 HN ALA 9 -0.220 8.762 -0.703 61 HA ALA 9 HA ALA 9 -2.697 8.711 -2.010 62 HB1 ALA 9 HB1 ALA 9 -1.361 10.733 -1.726 63 HB2 ALA 9 HB2 ALA 9 -1.798 10.477 -3.419 64 HB3 ALA 9 HB3 ALA 9 -0.167 10.095 -2.855 65 H GLY 10 HN GLY 10 0.492 7.603 -3.044 66 HA2 GLY 10 HA2 GLY 10 -0.241 6.910 -5.688 67 HA3 GLY 10 HA1 GLY 10 1.174 6.320 -4.818 68 H LEU 11 HN LEU 11 -0.139 5.166 -2.648 69 HA LEU 11 HA LEU 11 -0.795 2.599 -3.530 70 HB2 LEU 11 HB2 LEU 11 -1.508 4.029 -0.965 71 HB3 LEU 11 HB1 LEU 11 -1.799 2.326 -1.226 72 HG LEU 11 HG LEU 11 0.935 3.603 -1.292 73 HD11 LEU 11 HD11 LEU 11 1.247 2.500 0.916 74 HD12 LEU 11 HD12 LEU 11 -0.486 2.151 0.952 75 HD13 LEU 11 HD13 LEU 11 0.079 3.809 0.953 76 HD21 LEU 11 HD21 LEU 11 0.757 1.532 -2.565 77 HD22 LEU 11 HD22 LEU 11 0.058 0.719 -1.163 78 HD23 LEU 11 HD23 LEU 11 1.725 1.292 -1.110 79 H ALA 12 HN ALA 12 -2.810 5.325 -2.654 80 HA ALA 12 HA ALA 12 -5.282 4.060 -3.016 81 HB1 ALA 12 HB1 ALA 12 -4.994 6.092 -1.708 82 HB2 ALA 12 HB2 ALA 12 -6.259 6.223 -2.934 83 HB3 ALA 12 HB3 ALA 12 -4.689 6.999 -3.200 84 H GLU 13 HN GLU 13 -3.101 5.515 -5.319 85 HA GLU 13 HA GLU 13 -4.874 5.888 -7.496 86 HB2 GLU 13 HB2 GLU 13 -1.976 5.007 -7.513 87 HB3 GLU 13 HB1 GLU 13 -2.869 5.529 -8.928 88 HG2 GLU 13 HG2 GLU 13 -2.386 7.270 -6.529 89 HG3 GLU 13 HG1 GLU 13 -1.320 7.214 -7.931 90 H ILE 14 HN ILE 14 -2.968 3.100 -6.517 91 HA ILE 14 HA ILE 14 -4.155 1.484 -8.530 92 HB ILE 14 HB ILE 14 -2.500 0.567 -6.135 93 HG12 ILE 14 HG12 ILE 14 -0.764 0.075 -7.957 94 HG13 ILE 14 HG11 ILE 14 -1.733 1.076 -9.024 95 HG21 ILE 14 HG21 ILE 14 -3.382 -0.913 -8.586 96 HG22 ILE 14 HG22 ILE 14 -3.949 -1.182 -6.934 97 HG23 ILE 14 HG23 ILE 14 -2.266 -1.544 -7.368 98 HD11 ILE 14 HD11 ILE 14 0.156 2.296 -8.144 99 HD12 ILE 14 HD12 ILE 14 -0.353 1.946 -6.498 100 HD13 ILE 14 HD13 ILE 14 -1.346 2.986 -7.524 101 H VAL 15 HN VAL 15 -4.695 1.926 -5.039 102 HA VAL 15 HA VAL 15 -6.614 -0.126 -4.884 103 HB VAL 15 HB VAL 15 -6.439 2.309 -3.050 104 HG11 VAL 15 HG11 VAL 15 -7.664 0.943 -1.428 105 HG12 VAL 15 HG12 VAL 15 -7.820 -0.342 -2.623 106 HG13 VAL 15 HG13 VAL 15 -8.618 1.211 -2.887 107 HG21 VAL 15 HG21 VAL 15 -4.380 0.984 -3.016 108 HG22 VAL 15 HG22 VAL 15 -5.333 -0.474 -2.722 109 HG23 VAL 15 HG23 VAL 15 -5.288 0.800 -1.511 110 H ASN 16 HN ASN 16 -6.901 3.130 -6.038 111 HA ASN 16 HA ASN 16 -9.747 3.248 -6.128 112 HB2 ASN 16 HB2 ASN 16 -8.344 5.275 -6.292 113 HB3 ASN 16 HB1 ASN 16 -7.681 4.702 -7.814 114 HD21 ASN 16 HD21 ASN 16 -10.374 6.189 -6.248 115 HD22 ASN 16 HD22 ASN 16 -11.249 6.593 -7.663 116 H GLU 17 HN GLU 17 -7.284 1.929 -8.157 117 HA GLU 17 HA GLU 17 -8.949 1.498 -10.458 118 HB2 GLU 17 HB2 GLU 17 -6.538 1.917 -10.627 119 HB3 GLU 17 HB1 GLU 17 -6.214 0.458 -9.711 120 HG2 GLU 17 HG2 GLU 17 -7.153 -0.878 -11.514 121 HG3 GLU 17 HG1 GLU 17 -7.488 0.593 -12.429 122 H ILE 18 HN ILE 18 -7.786 -0.331 -7.732 123 HA ILE 18 HA ILE 18 -8.817 -2.856 -8.667 124 HB ILE 18 HB ILE 18 -7.652 -2.005 -6.011 125 HG12 ILE 18 HG12 ILE 18 -6.067 -1.905 -7.834 126 HG13 ILE 18 HG11 ILE 18 -5.661 -3.238 -6.761 127 HG21 ILE 18 HG21 ILE 18 -9.111 -3.906 -5.653 128 HG22 ILE 18 HG22 ILE 18 -7.419 -4.386 -5.490 129 HG23 ILE 18 HG23 ILE 18 -8.313 -4.789 -6.957 130 HD11 ILE 18 HD11 ILE 18 -5.380 -3.872 -9.087 131 HD12 ILE 18 HD12 ILE 18 -7.067 -3.454 -9.408 132 HD13 ILE 18 HD13 ILE 18 -6.682 -4.801 -8.337 133 H ALA 19 HN ALA 19 -9.638 -0.675 -5.954 134 HA ALA 19 HA ALA 19 -12.175 -2.138 -5.712 135 HB1 ALA 19 HB1 ALA 19 -10.726 -2.291 -3.752 136 HB2 ALA 19 HB2 ALA 19 -12.228 -1.439 -3.380 137 HB3 ALA 19 HB3 ALA 19 -10.728 -0.534 -3.608 138 H GLY 20 HN GLY 20 -10.757 1.092 -5.557 139 HA2 GLY 20 HA2 GLY 20 -11.797 2.933 -6.709 140 HA3 GLY 20 HA1 GLY 20 -13.348 2.134 -6.499 141 H ILE 21 HN ILE 21 -10.877 4.030 -4.959 142 HA ILE 21 HA ILE 21 -12.825 4.947 -3.024 143 HB ILE 21 HB ILE 21 -10.769 5.108 -1.407 144 HG12 ILE 21 HG12 ILE 21 -9.352 3.003 -1.495 145 HG13 ILE 21 HG11 ILE 21 -9.978 2.739 -3.110 146 HG21 ILE 21 HG21 ILE 21 -12.354 2.593 -1.746 147 HG22 ILE 21 HG22 ILE 21 -12.738 4.040 -0.785 148 HG23 ILE 21 HG23 ILE 21 -11.382 3.020 -0.328 149 HD11 ILE 21 HD11 ILE 21 -7.759 3.708 -3.166 150 HD12 ILE 21 HD12 ILE 21 -8.316 5.088 -2.217 151 HD13 ILE 21 HD13 ILE 21 -8.940 4.827 -3.846 152 HA PRO 22 HA PRO 22 -11.241 8.887 -4.148 153 HB2 PRO 22 HB2 PRO 22 -11.433 9.770 -1.348 154 HB3 PRO 22 HB1 PRO 22 -12.324 10.346 -2.758 155 HG2 PRO 22 HG2 PRO 22 -13.501 8.890 -0.824 156 HG3 PRO 22 HG1 PRO 22 -13.979 8.760 -2.528 157 HD2 PRO 22 HD2 PRO 22 -12.260 6.948 -0.894 158 HD3 PRO 22 HD1 PRO 22 -13.491 6.542 -2.110 159 H VAL 23 HN VAL 23 -9.177 9.308 -4.483 160 HA VAL 23 HA VAL 23 -7.096 8.145 -2.999 161 HB VAL 23 HB VAL 23 -5.544 9.519 -4.372 162 HG11 VAL 23 HG11 VAL 23 -7.791 8.169 -5.879 163 HG12 VAL 23 HG12 VAL 23 -6.381 7.367 -5.184 164 HG13 VAL 23 HG13 VAL 23 -6.181 8.507 -6.516 165 HG21 VAL 23 HG21 VAL 23 -8.114 10.648 -5.455 166 HG22 VAL 23 HG22 VAL 23 -6.506 10.967 -6.125 167 HG23 VAL 23 HG23 VAL 23 -6.928 11.519 -4.496 168 H GLU 24 HN GLU 24 -8.808 10.881 -2.212 169 HA GLU 24 HA GLU 24 -6.639 12.104 -0.673 170 HB2 GLU 24 HB2 GLU 24 -8.337 13.808 -0.100 171 HB3 GLU 24 HB1 GLU 24 -8.102 13.638 -1.835 172 HG2 GLU 24 HG2 GLU 24 -10.197 12.904 -2.180 173 HG3 GLU 24 HG1 GLU 24 -10.225 11.964 -0.690 174 H ASP 25 HN ASP 25 -9.137 9.824 -0.356 175 HA ASP 25 HA ASP 25 -9.767 10.485 2.387 176 HB2 ASP 25 HB2 ASP 25 -11.415 9.676 0.615 177 HB3 ASP 25 HB1 ASP 25 -10.728 8.084 0.850 178 H VAL 26 HN VAL 26 -7.942 8.260 0.546 179 HA VAL 26 HA VAL 26 -7.261 6.562 2.767 180 HB VAL 26 HB VAL 26 -5.916 6.830 0.051 181 HG11 VAL 26 HG11 VAL 26 -5.806 4.609 2.101 182 HG12 VAL 26 HG12 VAL 26 -4.498 5.734 1.723 183 HG13 VAL 26 HG13 VAL 26 -5.043 4.576 0.509 184 HG21 VAL 26 HG21 VAL 26 -7.232 4.865 -0.587 185 HG22 VAL 26 HG22 VAL 26 -8.264 6.232 -0.178 186 HG23 VAL 26 HG23 VAL 26 -8.048 4.912 0.973 187 H LYS 27 HN LYS 27 -6.606 7.937 4.273 188 HA LYS 27 HA LYS 27 -4.215 9.557 3.828 189 HB2 LYS 27 HB2 LYS 27 -6.104 9.423 6.186 190 HB3 LYS 27 HB1 LYS 27 -4.822 10.607 5.945 191 HG2 LYS 27 HG2 LYS 27 -5.965 11.530 4.040 192 HG3 LYS 27 HG1 LYS 27 -7.208 10.282 4.140 193 HD2 LYS 27 HD2 LYS 27 -7.801 11.129 6.385 194 HD3 LYS 27 HD1 LYS 27 -6.629 12.431 6.167 195 HE2 LYS 27 HE2 LYS 27 -9.015 11.895 4.404 196 HE3 LYS 27 HE1 LYS 27 -8.923 13.141 5.646 197 HZ1 LYS 27 HZ1 LYS 27 -8.510 14.075 3.475 198 HZ2 LYS 27 HZ2 LYS 27 -7.268 12.993 3.175 199 HZ3 LYS 27 HZ3 LYS 27 -7.089 14.158 4.390 200 H LEU 28 HN LEU 28 -2.989 9.538 6.163 201 HA LEU 28 HA LEU 28 -1.519 7.164 6.140 202 HB2 LEU 28 HB2 LEU 28 -1.603 9.419 8.119 203 HB3 LEU 28 HB1 LEU 28 -0.603 8.017 8.402 204 HG LEU 28 HG LEU 28 0.730 9.812 7.542 205 HD11 LEU 28 HD11 LEU 28 1.405 7.615 6.895 206 HD12 LEU 28 HD12 LEU 28 1.761 8.764 5.605 207 HD13 LEU 28 HD13 LEU 28 0.374 7.683 5.465 208 HD21 LEU 28 HD21 LEU 28 -1.084 9.841 5.124 209 HD22 LEU 28 HD22 LEU 28 0.417 10.753 5.286 210 HD23 LEU 28 HD23 LEU 28 -0.949 11.111 6.343 211 H ASP 29 HN ASP 29 -4.371 7.853 8.019 212 HA ASP 29 HA ASP 29 -3.786 5.566 9.734 213 HB2 ASP 29 HB2 ASP 29 -5.935 7.670 9.934 214 HB3 ASP 29 HB1 ASP 29 -5.878 6.253 10.978 215 H LYS 30 HN LYS 30 -4.622 5.433 6.901 216 HA LYS 30 HA LYS 30 -7.030 3.815 7.100 217 HB2 LYS 30 HB2 LYS 30 -5.271 4.749 4.869 218 HB3 LYS 30 HB1 LYS 30 -6.333 3.375 4.636 219 HG2 LYS 30 HG2 LYS 30 -7.328 6.064 5.555 220 HG3 LYS 30 HG1 LYS 30 -7.169 5.634 3.849 221 HD2 LYS 30 HD2 LYS 30 -8.583 3.598 4.386 222 HD3 LYS 30 HD1 LYS 30 -8.925 4.372 5.934 223 HE2 LYS 30 HE2 LYS 30 -9.418 5.683 3.279 224 HE3 LYS 30 HE1 LYS 30 -10.634 4.705 4.090 225 HZ1 LYS 30 HZ1 LYS 30 -10.891 7.081 4.410 226 HZ2 LYS 30 HZ2 LYS 30 -9.405 7.182 5.225 227 HZ3 LYS 30 HZ3 LYS 30 -10.686 6.297 5.887 228 H SER 31 HN SER 31 -6.952 1.626 6.106 229 HA SER 31 HA SER 31 -4.435 0.245 6.029 230 HB2 SER 31 HB2 SER 31 -5.567 -1.619 7.365 231 HB3 SER 31 HB1 SER 31 -5.106 -0.189 8.297 232 HG SER 31 HG SER 31 -7.063 -0.169 8.868 233 H PHE 32 HN PHE 32 -5.173 -2.146 5.043 234 HA PHE 32 HA PHE 32 -6.670 -1.151 2.781 235 HB2 PHE 32 HB2 PHE 32 -4.912 -3.555 3.114 236 HB3 PHE 32 HB1 PHE 32 -5.817 -3.186 1.650 237 HD1 PHE 32 HD1 PHE 32 -3.049 -2.154 3.818 238 HD2 PHE 32 HD2 PHE 32 -5.129 -1.421 0.179 239 HE1 PHE 32 HE1 PHE 32 -1.220 -0.696 3.066 240 HE2 PHE 32 HE2 PHE 32 -3.304 0.035 -0.573 241 HZ PHE 32 HZ PHE 32 -1.304 0.314 0.825 242 H THR 33 HN THR 33 -6.816 -3.722 5.156 243 HA THR 33 HA THR 33 -9.371 -4.278 3.909 244 HB THR 33 HB THR 33 -8.029 -6.181 3.670 245 HG1 THR 33 HG1 THR 33 -9.751 -7.259 4.124 246 HG21 THR 33 HG21 THR 33 -7.509 -6.126 6.640 247 HG22 THR 33 HG22 THR 33 -6.346 -5.784 5.362 248 HG23 THR 33 HG23 THR 33 -6.994 -7.414 5.551 249 H ASP 34 HN ASP 34 -8.105 -2.885 6.557 250 HA ASP 34 HA ASP 34 -10.318 -3.716 8.258 251 HB2 ASP 34 HB2 ASP 34 -8.010 -1.875 8.927 252 HB3 ASP 34 HB1 ASP 34 -9.197 -2.507 10.063 253 H ASP 35 HN ASP 35 -8.802 -0.707 7.208 254 HA ASP 35 HA ASP 35 -11.262 0.707 7.755 255 HB2 ASP 35 HB2 ASP 35 -8.753 1.566 8.007 256 HB3 ASP 35 HB1 ASP 35 -8.974 1.958 6.319 257 H LEU 36 HN LEU 36 -9.437 -0.404 4.908 258 HA LEU 36 HA LEU 36 -11.224 1.048 3.167 259 HB2 LEU 36 HB2 LEU 36 -8.862 -0.713 2.587 260 HB3 LEU 36 HB1 LEU 36 -9.896 -0.074 1.327 261 HG LEU 36 HG LEU 36 -8.289 1.586 3.264 262 HD11 LEU 36 HD11 LEU 36 -7.863 1.001 0.332 263 HD12 LEU 36 HD12 LEU 36 -6.873 0.397 1.660 264 HD13 LEU 36 HD13 LEU 36 -6.921 2.123 1.312 265 HD21 LEU 36 HD21 LEU 36 -9.934 2.302 0.872 266 HD22 LEU 36 HD22 LEU 36 -8.978 3.436 1.858 267 HD23 LEU 36 HD23 LEU 36 -10.362 2.568 2.560 268 H ASP 37 HN ASP 37 -12.030 -0.138 1.222 269 HA ASP 37 HA ASP 37 -13.660 -2.347 2.212 270 HB2 ASP 37 HB2 ASP 37 -13.930 -0.597 -0.237 271 HB3 ASP 37 HB1 ASP 37 -14.951 -1.999 0.051 272 H VAL 38 HN VAL 38 -10.824 -2.421 1.269 273 HA VAL 38 HA VAL 38 -10.893 -4.193 -1.009 274 HB VAL 38 HB VAL 38 -8.605 -3.511 0.874 275 HG11 VAL 38 HG11 VAL 38 -7.151 -4.308 -0.932 276 HG12 VAL 38 HG12 VAL 38 -8.575 -4.752 -1.874 277 HG13 VAL 38 HG13 VAL 38 -8.232 -5.578 -0.354 278 HG21 VAL 38 HG21 VAL 38 -9.422 -1.503 -0.224 279 HG22 VAL 38 HG22 VAL 38 -9.303 -2.293 -1.794 280 HG23 VAL 38 HG23 VAL 38 -7.842 -1.958 -0.860 281 H ASP 39 HN ASP 39 -11.278 -6.225 -0.786 282 HA ASP 39 HA ASP 39 -11.996 -7.636 1.502 283 HB2 ASP 39 HB2 ASP 39 -10.758 -8.686 -1.039 284 HB3 ASP 39 HB1 ASP 39 -11.449 -9.699 0.217 285 H SER 40 HN SER 40 -9.096 -8.318 -0.206 286 HA SER 40 HA SER 40 -7.038 -7.625 1.279 287 HB2 SER 40 HB2 SER 40 -6.403 -9.584 2.712 288 HB3 SER 40 HB1 SER 40 -7.832 -8.721 3.288 289 H LEU 41 HN LEU 41 -8.279 -10.673 0.053 290 HA LEU 41 HA LEU 41 -5.913 -11.587 -1.121 291 HB2 LEU 41 HB2 LEU 41 -8.780 -12.054 -2.008 292 HB3 LEU 41 HB1 LEU 41 -7.426 -12.856 -2.752 293 HG LEU 41 HG LEU 41 -6.962 -14.015 -0.588 294 HD11 LEU 41 HD11 LEU 41 -9.530 -12.723 0.317 295 HD12 LEU 41 HD12 LEU 41 -7.917 -12.478 1.017 296 HD13 LEU 41 HD13 LEU 41 -8.704 -14.042 1.137 297 HD21 LEU 41 HD21 LEU 41 -8.275 -15.088 -2.308 298 HD22 LEU 41 HD22 LEU 41 -9.742 -14.341 -1.679 299 HD23 LEU 41 HD23 LEU 41 -8.871 -15.529 -0.707 300 H SER 42 HN SER 42 -8.348 -9.419 -2.164 301 HA SER 42 HA SER 42 -7.613 -8.876 -4.793 302 HB2 SER 42 HB2 SER 42 -9.792 -8.390 -3.801 303 HB3 SER 42 HB1 SER 42 -9.055 -7.208 -2.729 304 HG SER 42 HG SER 42 -9.198 -7.105 -5.559 305 H MET 43 HN MET 43 -6.266 -7.662 -1.740 306 HA MET 43 HA MET 43 -5.127 -5.241 -2.809 307 HB2 MET 43 HB2 MET 43 -5.546 -5.632 -0.348 308 HB3 MET 43 HB1 MET 43 -4.167 -6.725 -0.361 309 HG2 MET 43 HG2 MET 43 -2.912 -4.703 -1.409 310 HG3 MET 43 HG1 MET 43 -4.229 -3.759 -0.728 311 HE1 MET 43 HE1 MET 43 -1.072 -5.925 -0.070 312 HE2 MET 43 HE2 MET 43 -2.345 -6.968 0.579 313 HE3 MET 43 HE3 MET 43 -1.183 -6.232 1.667 314 H VAL 44 HN VAL 44 -4.247 -8.480 -2.897 315 HA VAL 44 HA VAL 44 -1.473 -8.274 -3.051 316 HB VAL 44 HB VAL 44 -3.216 -10.335 -4.439 317 HG11 VAL 44 HG11 VAL 44 -0.337 -10.503 -3.544 318 HG12 VAL 44 HG12 VAL 44 -0.907 -10.419 -5.210 319 HG13 VAL 44 HG13 VAL 44 -1.285 -11.828 -4.221 320 HG21 VAL 44 HG21 VAL 44 -2.120 -10.309 -1.611 321 HG22 VAL 44 HG22 VAL 44 -2.928 -11.675 -2.373 322 HG23 VAL 44 HG23 VAL 44 -3.799 -10.177 -2.098 323 H GLU 45 HN GLU 45 -3.901 -7.509 -5.456 324 HA GLU 45 HA GLU 45 -2.023 -7.314 -7.627 325 HB2 GLU 45 HB2 GLU 45 -4.806 -6.177 -7.325 326 HB3 GLU 45 HB1 GLU 45 -3.858 -6.114 -8.800 327 HG2 GLU 45 HG2 GLU 45 -3.824 -8.582 -8.839 328 HG3 GLU 45 HG1 GLU 45 -4.876 -8.582 -7.421 329 H VAL 46 HN VAL 46 -3.123 -5.305 -5.096 330 HA VAL 46 HA VAL 46 -2.289 -2.782 -6.161 331 HB VAL 46 HB VAL 46 -2.799 -3.585 -3.278 332 HG11 VAL 46 HG11 VAL 46 -3.133 -1.189 -2.869 333 HG12 VAL 46 HG12 VAL 46 -2.684 -0.849 -4.541 334 HG13 VAL 46 HG13 VAL 46 -1.496 -1.538 -3.435 335 HG21 VAL 46 HG21 VAL 46 -4.764 -3.963 -4.643 336 HG22 VAL 46 HG22 VAL 46 -4.645 -2.329 -5.296 337 HG23 VAL 46 HG23 VAL 46 -5.017 -2.571 -3.584 338 H VAL 47 HN VAL 47 -1.079 -4.904 -3.600 339 HA VAL 47 HA VAL 47 1.226 -3.434 -3.060 340 HB VAL 47 HB VAL 47 0.370 -5.115 -1.495 341 HG11 VAL 47 HG11 VAL 47 -0.270 -6.876 -2.999 342 HG12 VAL 47 HG12 VAL 47 0.830 -7.500 -1.769 343 HG13 VAL 47 HG13 VAL 47 1.417 -7.188 -3.403 344 HG21 VAL 47 HG21 VAL 47 3.228 -5.619 -2.306 345 HG22 VAL 47 HG22 VAL 47 2.509 -6.075 -0.760 346 HG23 VAL 47 HG23 VAL 47 2.648 -4.373 -1.200 347 H VAL 48 HN VAL 48 0.812 -6.006 -5.470 348 HA VAL 48 HA VAL 48 3.573 -6.122 -6.071 349 HB VAL 48 HB VAL 48 1.954 -7.965 -6.618 350 HG11 VAL 48 HG11 VAL 48 0.678 -7.902 -8.698 351 HG12 VAL 48 HG12 VAL 48 1.097 -6.200 -8.888 352 HG13 VAL 48 HG13 VAL 48 0.116 -6.717 -7.517 353 HG21 VAL 48 HG21 VAL 48 2.990 -8.615 -8.749 354 HG22 VAL 48 HG22 VAL 48 4.164 -7.996 -7.586 355 HG23 VAL 48 HG23 VAL 48 3.624 -6.978 -8.920 356 H ALA 49 HN ALA 49 0.974 -4.109 -7.179 357 HA ALA 49 HA ALA 49 2.479 -2.943 -9.324 358 HB1 ALA 49 HB1 ALA 49 0.030 -3.050 -9.420 359 HB2 ALA 49 HB2 ALA 49 0.593 -1.378 -9.489 360 HB3 ALA 49 HB3 ALA 49 -0.077 -2.024 -7.990 361 H ALA 50 HN ALA 50 1.911 -2.330 -5.966 362 HA ALA 50 HA ALA 50 2.809 0.318 -5.875 363 HB1 ALA 50 HB1 ALA 50 2.964 -1.754 -3.681 364 HB2 ALA 50 HB2 ALA 50 1.566 -0.744 -4.042 365 HB3 ALA 50 HB3 ALA 50 3.059 -0.004 -3.468 366 H GLU 51 HN GLU 51 4.548 -2.721 -5.767 367 HA GLU 51 HA GLU 51 7.060 -1.848 -4.950 368 HB2 GLU 51 HB2 GLU 51 6.464 -3.986 -7.003 369 HB3 GLU 51 HB1 GLU 51 8.001 -3.762 -6.191 370 HG2 GLU 51 HG2 GLU 51 6.845 -4.221 -4.033 371 HG3 GLU 51 HG1 GLU 51 5.391 -4.597 -4.956 372 H GLU 52 HN GLU 52 5.740 -1.942 -8.235 373 HA GLU 52 HA GLU 52 8.084 -0.761 -9.361 374 HB2 GLU 52 HB2 GLU 52 6.613 -0.549 -11.435 375 HB3 GLU 52 HB1 GLU 52 6.921 -2.173 -10.839 376 HG2 GLU 52 HG2 GLU 52 4.769 -2.333 -9.895 377 HG3 GLU 52 HG1 GLU 52 4.436 -0.629 -10.137 378 H ARG 53 HN ARG 53 4.973 0.472 -8.305 379 HA ARG 53 HA ARG 53 5.132 3.001 -9.539 380 HB2 ARG 53 HB2 ARG 53 3.627 2.181 -7.059 381 HB3 ARG 53 HB1 ARG 53 3.426 3.724 -7.879 382 HG2 ARG 53 HG2 ARG 53 2.954 1.050 -9.161 383 HG3 ARG 53 HG1 ARG 53 1.698 2.034 -8.413 384 HD2 ARG 53 HD2 ARG 53 3.462 3.024 -10.636 385 HD3 ARG 53 HD1 ARG 53 1.927 2.209 -10.919 386 HE ARG 53 HE ARG 53 2.109 4.679 -9.314 387 HH11 ARG 53 HH11 ARG 53 0.747 2.835 -12.013 388 HH12 ARG 53 HH12 ARG 53 -0.509 3.944 -12.348 389 HH21 ARG 53 HH21 ARG 53 0.430 6.275 -9.809 390 HH22 ARG 53 HH22 ARG 53 -0.686 5.956 -11.048 391 H PHE 54 HN PHE 54 6.162 1.962 -6.325 392 HA PHE 54 HA PHE 54 7.022 4.700 -5.791 393 HB2 PHE 54 HB2 PHE 54 6.842 2.361 -3.904 394 HB3 PHE 54 HB1 PHE 54 7.202 4.034 -3.468 395 HD1 PHE 54 HD2 PHE 54 5.450 5.771 -4.294 396 HD2 PHE 54 HD1 PHE 54 4.700 1.634 -3.754 397 HE1 PHE 54 HE2 PHE 54 3.051 6.226 -4.145 398 HE2 PHE 54 HE1 PHE 54 2.296 2.083 -3.617 399 HZ PHE 54 HZ PHE 54 1.479 4.373 -3.809 400 H ASP 55 HN ASP 55 8.364 2.232 -7.272 401 HA ASP 55 HA ASP 55 10.429 1.388 -7.617 402 HB2 ASP 55 HB2 ASP 55 10.994 3.737 -8.123 403 HB3 ASP 55 HB1 ASP 55 11.296 4.042 -6.418 404 H VAL 56 HN VAL 56 9.629 -0.067 -5.901 405 HA VAL 56 HA VAL 56 11.602 -0.242 -3.807 406 HB VAL 56 HB VAL 56 9.655 1.131 -2.952 407 HG11 VAL 56 HG11 VAL 56 7.821 0.138 -4.050 408 HG12 VAL 56 HG12 VAL 56 7.570 0.044 -2.307 409 HG13 VAL 56 HG13 VAL 56 8.076 -1.389 -3.202 410 HG21 VAL 56 HG21 VAL 56 9.422 -0.015 -0.767 411 HG22 VAL 56 HG22 VAL 56 11.091 0.040 -1.333 412 HG23 VAL 56 HG23 VAL 56 10.161 -1.453 -1.475 413 H LYS 57 HN LYS 57 10.573 -2.394 -2.456 414 HA LYS 57 HA LYS 57 9.635 -4.397 -4.272 415 HB2 LYS 57 HB2 LYS 57 12.097 -4.408 -4.617 416 HB3 LYS 57 HB1 LYS 57 12.333 -4.556 -2.888 417 HG2 LYS 57 HG2 LYS 57 11.320 -6.763 -2.920 418 HG3 LYS 57 HG1 LYS 57 11.011 -6.608 -4.653 419 HD2 LYS 57 HD2 LYS 57 13.395 -6.458 -5.091 420 HD3 LYS 57 HD1 LYS 57 13.738 -6.508 -3.363 421 HE2 LYS 57 HE2 LYS 57 14.133 -8.678 -4.373 422 HE3 LYS 57 HE1 LYS 57 12.783 -8.756 -3.245 423 HZ1 LYS 57 HZ1 LYS 57 12.333 -9.973 -5.238 424 HZ2 LYS 57 HZ2 LYS 57 12.610 -8.653 -6.211 425 HZ3 LYS 57 HZ3 LYS 57 11.259 -8.674 -5.160 426 H ILE 58 HN ILE 58 8.364 -5.697 -3.105 427 HA ILE 58 HA ILE 58 8.547 -5.551 -0.174 428 HB ILE 58 HB ILE 58 5.949 -5.395 -1.755 429 HG12 ILE 58 HG12 ILE 58 7.305 -3.216 -0.130 430 HG13 ILE 58 HG11 ILE 58 7.272 -3.280 -1.885 431 HG21 ILE 58 HG21 ILE 58 5.714 -6.546 0.383 432 HG22 ILE 58 HG22 ILE 58 4.911 -4.977 0.434 433 HG23 ILE 58 HG23 ILE 58 6.480 -5.190 1.213 434 HD11 ILE 58 HD11 ILE 58 5.633 -1.706 -1.024 435 HD12 ILE 58 HD12 ILE 58 4.882 -2.988 -0.075 436 HD13 ILE 58 HD13 ILE 58 4.832 -3.053 -1.835 437 HA PRO 59 HA PRO 59 8.319 -9.948 -1.124 438 HB2 PRO 59 HB2 PRO 59 8.708 -10.338 1.741 439 HB3 PRO 59 HB1 PRO 59 9.787 -10.770 0.413 440 HG2 PRO 59 HG2 PRO 59 10.342 -8.800 2.194 441 HG3 PRO 59 HG1 PRO 59 10.922 -8.786 0.517 442 HD2 PRO 59 HD2 PRO 59 8.630 -7.316 1.747 443 HD3 PRO 59 HD1 PRO 59 9.808 -6.760 0.541 444 H ASP 60 HN ASP 60 6.578 -11.200 -1.092 445 HA ASP 60 HA ASP 60 4.100 -10.450 -0.026 446 HB2 ASP 60 HB2 ASP 60 4.242 -12.017 -1.873 447 HB3 ASP 60 HB1 ASP 60 5.075 -13.188 -0.863 448 H ASP 61 HN ASP 61 6.632 -12.315 1.339 449 HA ASP 61 HA ASP 61 5.430 -13.390 3.638 450 HB2 ASP 61 HB2 ASP 61 8.234 -12.294 3.309 451 HB3 ASP 61 HB1 ASP 61 7.688 -13.219 4.699 452 H ASP 62 HN ASP 62 6.903 -10.234 3.065 453 HA ASP 62 HA ASP 62 6.464 -9.413 5.785 454 HB2 ASP 62 HB2 ASP 62 8.489 -8.782 4.373 455 HB3 ASP 62 HB1 ASP 62 7.433 -7.656 3.532 456 H VAL 63 HN VAL 63 4.837 -9.176 2.794 457 HA VAL 63 HA VAL 63 3.128 -6.996 3.177 458 HB VAL 63 HB VAL 63 2.497 -9.688 1.897 459 HG11 VAL 63 HG11 VAL 63 1.006 -7.079 1.654 460 HG12 VAL 63 HG12 VAL 63 0.430 -8.529 2.471 461 HG13 VAL 63 HG13 VAL 63 0.678 -8.540 0.723 462 HG21 VAL 63 HG21 VAL 63 4.333 -8.523 0.825 463 HG22 VAL 63 HG22 VAL 63 3.350 -7.067 0.683 464 HG23 VAL 63 HG23 VAL 63 2.907 -8.521 -0.215 465 H LYS 64 HN LYS 64 2.888 -10.314 4.335 466 HA LYS 64 HA LYS 64 0.426 -9.862 5.719 467 HB2 LYS 64 HB2 LYS 64 2.369 -12.165 5.770 468 HB3 LYS 64 HB1 LYS 64 0.886 -12.144 6.714 469 HG2 LYS 64 HG2 LYS 64 -0.430 -11.953 4.663 470 HG3 LYS 64 HG1 LYS 64 1.052 -11.949 3.710 471 HD2 LYS 64 HD2 LYS 64 0.222 -14.206 5.534 472 HD3 LYS 64 HD1 LYS 64 -0.135 -14.152 3.809 473 HE2 LYS 64 HE2 LYS 64 2.640 -14.047 4.988 474 HE3 LYS 64 HE1 LYS 64 1.869 -15.512 4.392 475 HZ1 LYS 64 HZ1 LYS 64 2.539 -13.106 2.724 476 HZ2 LYS 64 HZ2 LYS 64 1.728 -14.476 2.192 477 HZ3 LYS 64 HZ3 LYS 64 3.307 -14.613 2.720 478 H ASN 65 HN ASN 65 3.533 -8.980 6.406 479 HA ASN 65 HA ASN 65 3.299 -9.136 9.314 480 HB2 ASN 65 HB2 ASN 65 5.477 -9.656 8.300 481 HB3 ASN 65 HB1 ASN 65 5.499 -8.088 7.510 482 HD21 ASN 65 HD21 ASN 65 7.381 -7.511 8.418 483 HD22 ASN 65 HD22 ASN 65 7.584 -7.078 10.087 484 H LEU 66 HN LEU 66 3.003 -6.888 6.655 485 HA LEU 66 HA LEU 66 3.031 -4.510 8.305 486 HB2 LEU 66 HB2 LEU 66 2.236 -4.944 5.418 487 HB3 LEU 66 HB1 LEU 66 2.405 -3.383 6.201 488 HG LEU 66 HG LEU 66 4.639 -5.356 5.691 489 HD11 LEU 66 HD11 LEU 66 5.475 -3.651 4.152 490 HD12 LEU 66 HD12 LEU 66 4.011 -2.706 4.430 491 HD13 LEU 66 HD13 LEU 66 3.909 -4.298 3.664 492 HD21 LEU 66 HD21 LEU 66 4.730 -2.591 6.892 493 HD22 LEU 66 HD22 LEU 66 6.130 -3.584 6.482 494 HD23 LEU 66 HD23 LEU 66 5.016 -4.106 7.745 495 H LYS 67 HN LYS 67 1.160 -3.008 8.041 496 HA LYS 67 HA LYS 67 -1.363 -4.447 8.225 497 HB2 LYS 67 HB2 LYS 67 -1.684 -2.890 10.453 498 HB3 LYS 67 HB1 LYS 67 -1.231 -4.589 10.456 499 HG2 LYS 67 HG2 LYS 67 1.157 -3.904 10.509 500 HG3 LYS 67 HG1 LYS 67 0.638 -2.226 10.609 501 HD2 LYS 67 HD2 LYS 67 -0.262 -2.502 12.750 502 HD3 LYS 67 HD1 LYS 67 -0.306 -4.256 12.605 503 HE2 LYS 67 HE2 LYS 67 1.486 -3.555 14.114 504 HE3 LYS 67 HE1 LYS 67 2.133 -4.349 12.688 505 HZ1 LYS 67 HZ1 LYS 67 2.709 -2.103 11.803 506 HZ2 LYS 67 HZ2 LYS 67 3.460 -2.468 13.224 507 HZ3 LYS 67 HZ3 LYS 67 2.152 -1.407 13.242 508 H THR 68 HN THR 68 -0.656 -1.060 9.164 509 HA THR 68 HA THR 68 -2.980 -0.326 7.580 510 HB THR 68 HB THR 68 -2.683 1.879 8.680 511 HG1 THR 68 HG1 THR 68 -1.041 2.243 9.999 512 HG21 THR 68 HG21 THR 68 -4.067 0.183 9.821 513 HG22 THR 68 HG22 THR 68 -3.183 1.162 10.986 514 HG23 THR 68 HG23 THR 68 -2.623 -0.462 10.597 515 H VAL 69 HN VAL 69 -2.588 2.039 6.552 516 HA VAL 69 HA VAL 69 -0.467 1.627 4.642 517 HB VAL 69 HB VAL 69 -1.211 3.706 3.538 518 HG11 VAL 69 HG11 VAL 69 -3.502 1.879 4.252 519 HG12 VAL 69 HG12 VAL 69 -2.344 1.640 2.943 520 HG13 VAL 69 HG13 VAL 69 -3.469 2.996 2.889 521 HG21 VAL 69 HG21 VAL 69 -3.202 3.893 5.778 522 HG22 VAL 69 HG22 VAL 69 -3.175 4.904 4.339 523 HG23 VAL 69 HG23 VAL 69 -1.837 4.974 5.491 524 H GLY 70 HN GLY 70 -0.837 3.147 7.608 525 HA2 GLY 70 HA2 GLY 70 1.351 5.016 7.281 526 HA3 GLY 70 HA1 GLY 70 0.468 4.678 8.773 527 H ASP 71 HN ASP 71 0.789 1.804 8.178 528 HA ASP 71 HA ASP 71 3.340 1.364 9.445 529 HB2 ASP 71 HB2 ASP 71 1.407 -0.012 10.103 530 HB3 ASP 71 HB1 ASP 71 1.233 -0.551 8.438 531 H ALA 72 HN ALA 72 1.749 0.587 6.404 532 HA ALA 72 HA ALA 72 3.802 -0.837 5.186 533 HB1 ALA 72 HB1 ALA 72 1.669 0.830 3.855 534 HB2 ALA 72 HB2 ALA 72 1.488 -0.841 4.384 535 HB3 ALA 72 HB3 ALA 72 2.617 -0.444 3.089 536 H THR 73 HN THR 73 3.122 2.636 5.223 537 HA THR 73 HA THR 73 4.883 3.488 3.312 538 HB THR 73 HB THR 73 5.032 5.492 5.084 539 HG1 THR 73 HG1 THR 73 2.487 4.547 5.634 540 HG21 THR 73 HG21 THR 73 3.024 6.404 4.010 541 HG22 THR 73 HG22 THR 73 2.673 4.802 3.335 542 HG23 THR 73 HG23 THR 73 4.155 5.669 2.885 543 H LYS 74 HN LYS 74 5.408 2.881 6.742 544 HA LYS 74 HA LYS 74 7.985 3.844 7.011 545 HB2 LYS 74 HB2 LYS 74 6.581 3.217 8.907 546 HB3 LYS 74 HB1 LYS 74 6.657 1.528 8.433 547 HG2 LYS 74 HG2 LYS 74 9.017 1.456 8.936 548 HG3 LYS 74 HG1 LYS 74 9.023 3.183 9.290 549 HD2 LYS 74 HD2 LYS 74 7.432 1.103 10.796 550 HD3 LYS 74 HD1 LYS 74 8.969 1.779 11.330 551 HE2 LYS 74 HE2 LYS 74 6.382 3.289 10.910 552 HE3 LYS 74 HE1 LYS 74 7.119 2.887 12.459 553 HZ1 LYS 74 HZ1 LYS 74 9.056 4.269 11.759 554 HZ2 LYS 74 HZ2 LYS 74 7.628 5.162 11.919 555 HZ3 LYS 74 HZ3 LYS 74 8.179 4.773 10.404 556 H TYR 75 HN TYR 75 6.877 0.732 5.799 557 HA TYR 75 HA TYR 75 9.572 -0.234 5.538 558 HB2 TYR 75 HB2 TYR 75 7.915 -1.929 5.953 559 HB3 TYR 75 HB1 TYR 75 6.949 -1.401 4.575 560 HD1 TYR 75 HD1 TYR 75 10.480 -2.476 5.217 561 HD2 TYR 75 HD2 TYR 75 7.056 -2.749 2.718 562 HE1 TYR 75 HE1 TYR 75 11.629 -4.145 3.824 563 HE2 TYR 75 HE2 TYR 75 8.199 -4.407 1.323 564 HH TYR 75 HH TYR 75 11.097 -5.933 2.293 565 H ILE 76 HN ILE 76 7.050 0.808 3.292 566 HA ILE 76 HA ILE 76 8.412 0.444 0.879 567 HB ILE 76 HB ILE 76 6.383 2.582 1.584 568 HG12 ILE 76 HG12 ILE 76 6.000 -0.096 0.244 569 HG13 ILE 76 HG11 ILE 76 5.690 0.217 1.950 570 HG21 ILE 76 HG21 ILE 76 5.936 2.687 -0.833 571 HG22 ILE 76 HG22 ILE 76 7.250 1.551 -1.128 572 HG23 ILE 76 HG23 ILE 76 7.601 3.148 -0.469 573 HD11 ILE 76 HD11 ILE 76 4.047 1.854 1.359 574 HD12 ILE 76 HD12 ILE 76 3.645 0.269 0.668 575 HD13 ILE 76 HD13 ILE 76 4.330 1.552 -0.357 576 H LEU 77 HN LEU 77 8.096 3.444 2.754 577 HA LEU 77 HA LEU 77 9.718 5.083 1.212 578 HB2 LEU 77 HB2 LEU 77 8.161 5.918 2.817 579 HB3 LEU 77 HB1 LEU 77 9.043 5.086 4.078 580 HG LEU 77 HG LEU 77 10.940 6.633 3.758 581 HD11 LEU 77 HD11 LEU 77 10.626 8.663 2.424 582 HD12 LEU 77 HD12 LEU 77 9.097 8.005 1.824 583 HD13 LEU 77 HD13 LEU 77 10.613 7.197 1.440 584 HD21 LEU 77 HD21 LEU 77 8.300 7.993 4.280 585 HD22 LEU 77 HD22 LEU 77 9.887 8.588 4.774 586 HD23 LEU 77 HD23 LEU 77 9.253 7.086 5.453 587 H ASP 78 HN ASP 78 10.538 2.725 3.604 588 HA ASP 78 HA ASP 78 13.226 3.845 3.904 589 HB2 ASP 78 HB2 ASP 78 12.140 2.938 5.916 590 HB3 ASP 78 HB1 ASP 78 12.115 1.340 5.177 591 H HIS 79 HN HIS 79 11.702 1.125 2.397 592 HA HIS 79 HA HIS 79 14.250 -0.083 1.730 593 HB2 HIS 79 HB2 HIS 79 12.246 -1.440 2.397 594 HB3 HIS 79 HB1 HIS 79 11.457 -0.938 0.916 595 HD1 HIS 79 HD1 HIS 79 13.787 -3.484 2.281 596 HD2 HIS 79 HD2 HIS 79 12.616 -2.104 -1.464 597 HE1 HIS 79 HE1 HIS 79 14.532 -5.202 0.661 598 HE2 HIS 79 HE2 HIS 79 14.170 -4.124 -1.572 599 H GLN 80 HN GLN 80 12.326 2.308 0.371 600 HA GLN 80 HA GLN 80 12.964 1.635 -2.394 601 HB2 GLN 80 HB2 GLN 80 11.607 3.493 -3.026 602 HB3 GLN 80 HB1 GLN 80 10.754 2.623 -1.763 603 HG2 GLN 80 HG2 GLN 80 11.423 4.289 -0.129 604 HG3 GLN 80 HG1 GLN 80 12.359 5.136 -1.360 605 HE21 GLN 80 HE21 GLN 80 9.267 3.664 -1.914 606 HE22 GLN 80 HE22 GLN 80 8.417 5.137 -2.201 607 H ALA 81 HN ALA 81 13.561 3.872 -3.652 608 HA ALA 81 HA ALA 81 15.894 4.952 -2.269 609 HB1 ALA 81 HB1 ALA 81 16.830 5.379 -4.493 610 HB2 ALA 81 HB2 ALA 81 15.391 4.666 -5.230 611 HB3 ALA 81 HB3 ALA 81 16.476 3.667 -4.264 612 H28 SXO 101 H28B SXO 101 -5.866 -11.600 4.564 613 H28A SXO 101 H28A SXO 101 -5.884 -11.866 2.818 614 H30 SXO 101 H30A SXO 101 -5.188 -14.964 5.571 615 H30A SXO 101 H30C SXO 101 -5.401 -13.263 6.021 616 H30B SXO 101 H30B SXO 101 -6.783 -14.184 5.398 617 H31 SXO 101 H31A SXO 101 -6.838 -14.790 3.046 618 H31A SXO 101 H31B SXO 101 -5.222 -15.516 3.080 619 H31B SXO 101 H31C SXO 101 -5.583 -14.192 1.958 620 H32 SXO 101 H32A SXO 101 -3.515 -12.650 4.704 621 HO33 SXO 101 H33A SXO 101 -2.597 -14.673 3.357 622 HN36 SXO 101 H36A SXO 101 -4.329 -11.201 2.817 623 H37 SXO 101 H37A SXO 101 -2.635 -11.627 0.439 624 H37A SXO 101 H37B SXO 101 -4.228 -10.895 0.388 625 H38 SXO 101 H38B SXO 101 -2.569 -9.154 0.240 626 H38A SXO 101 H38A SXO 101 -1.787 -9.749 1.708 627 HN41 SXO 101 H41A SXO 101 -2.871 -9.601 3.669 628 H42 SXO 101 H42A SXO 101 -3.921 -7.089 4.219 629 H42A SXO 101 H42B SXO 101 -5.234 -8.204 4.276 630 H43 SXO 101 H43B SXO 101 -4.292 -8.078 6.449 631 H43A SXO 101 H43A SXO 101 -3.792 -9.637 5.737 632 H2 SXO 101 H2A SXO 101 -0.400 -6.259 4.808 633 H2A SXO 101 H2B SXO 101 -0.592 -5.087 6.104 634 H3 SXO 101 H3B SXO 101 -2.046 -5.022 3.475 635 H3A SXO 101 H3A SXO 101 -2.237 -3.870 4.793 636 H4 SXO 101 H4A SXO 101 0.147 -3.257 4.561 637 H4A SXO 101 H4B SXO 101 -0.777 -2.943 3.093 638 H5 SXO 101 H5B SXO 101 1.136 -5.216 3.602 639 H5A SXO 101 H5A SXO 101 0.038 -5.161 2.226 640 H6 SXO 101 H6A SXO 101 2.309 -4.342 1.673 641 H6A SXO 101 H6B SXO 101 2.100 -3.050 2.864 642 H7 SXO 101 H7A SXO 101 0.184 -2.185 1.605 643 H7A SXO 101 H7B SXO 101 0.399 -3.473 0.404 644 H8 SXO 101 H8C SXO 101 2.408 -1.336 1.110 645 H8A SXO 101 H8A SXO 101 1.408 -1.374 -0.340 646 H8B SXO 101 H8B SXO 101 2.637 -2.611 -0.089 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 13.264 7.604 -4.494 2 H2 ALA 1 HT2 ALA 1 12.145 7.798 -3.255 3 H3 ALA 1 HT3 ALA 1 12.732 9.139 -4.051 4 HA ALA 1 HA ALA 1 11.751 8.457 -6.115 5 HB1 ALA 1 HB1 ALA 1 11.727 6.042 -5.669 6 HB2 ALA 1 HB2 ALA 1 10.144 6.629 -6.182 7 HB3 ALA 1 HB3 ALA 1 10.447 6.282 -4.479 8 H ALA 2 HN ALA 2 9.487 7.689 -3.438 9 HA ALA 2 HA ALA 2 8.254 10.306 -3.910 10 HB1 ALA 2 HB1 ALA 2 6.849 8.470 -4.733 11 HB2 ALA 2 HB2 ALA 2 6.117 9.231 -3.322 12 HB3 ALA 2 HB3 ALA 2 6.947 7.682 -3.158 13 H THR 3 HN THR 3 6.766 10.688 -1.766 14 HA THR 3 HA THR 3 8.463 9.945 0.473 15 HB THR 3 HB THR 3 6.963 12.604 0.366 16 HG1 THR 3 HG1 THR 3 8.442 12.483 -1.396 17 HG21 THR 3 HG21 THR 3 9.352 11.617 1.944 18 HG22 THR 3 HG22 THR 3 7.769 12.088 2.606 19 HG23 THR 3 HG23 THR 3 8.832 13.291 1.901 20 H GLN 4 HN GLN 4 6.970 10.510 2.679 21 HA GLN 4 HA GLN 4 5.452 8.329 3.042 22 HB2 GLN 4 HB2 GLN 4 6.206 9.937 4.755 23 HB3 GLN 4 HB1 GLN 4 4.851 10.967 4.325 24 HG2 GLN 4 HG2 GLN 4 3.315 9.130 4.926 25 HG3 GLN 4 HG1 GLN 4 4.711 8.188 5.455 26 HE21 GLN 4 HE21 GLN 4 6.045 10.626 6.467 27 HE22 GLN 4 HE22 GLN 4 5.214 11.017 7.925 28 H GLU 5 HN GLU 5 3.970 11.504 2.253 29 HA GLU 5 HA GLU 5 1.359 10.322 2.271 30 HB2 GLU 5 HB2 GLU 5 1.809 12.705 2.933 31 HB3 GLU 5 HB1 GLU 5 2.156 13.054 1.241 32 HG2 GLU 5 HG2 GLU 5 -0.119 12.352 0.653 33 HG3 GLU 5 HG1 GLU 5 -0.455 12.073 2.358 34 H GLU 6 HN GLU 6 3.784 11.075 -0.045 35 HA GLU 6 HA GLU 6 2.153 10.811 -2.373 36 HB2 GLU 6 HB2 GLU 6 5.131 10.420 -2.123 37 HB3 GLU 6 HB1 GLU 6 4.240 10.736 -3.605 38 HG2 GLU 6 HG2 GLU 6 4.632 12.603 -1.285 39 HG3 GLU 6 HG1 GLU 6 5.341 12.734 -2.894 40 H ILE 7 HN ILE 7 4.072 8.675 -0.394 41 HA ILE 7 HA ILE 7 3.963 6.388 -1.919 42 HB ILE 7 HB ILE 7 3.914 6.701 1.081 43 HG12 ILE 7 HG12 ILE 7 5.951 7.563 0.061 44 HG13 ILE 7 HG11 ILE 7 6.310 6.113 0.991 45 HG21 ILE 7 HG21 ILE 7 4.421 4.165 -0.490 46 HG22 ILE 7 HG22 ILE 7 3.034 4.495 0.547 47 HG23 ILE 7 HG23 ILE 7 4.640 4.336 1.253 48 HD11 ILE 7 HD11 ILE 7 6.388 4.825 -1.094 49 HD12 ILE 7 HD12 ILE 7 7.542 6.154 -1.093 50 HD13 ILE 7 HD13 ILE 7 6.042 6.295 -2.002 51 H VAL 8 HN VAL 8 1.893 7.509 0.758 52 HA VAL 8 HA VAL 8 -0.178 5.665 0.750 53 HB VAL 8 HB VAL 8 -0.362 8.662 1.252 54 HG11 VAL 8 HG11 VAL 8 -2.553 7.690 0.860 55 HG12 VAL 8 HG12 VAL 8 -2.355 8.134 2.555 56 HG13 VAL 8 HG13 VAL 8 -2.227 6.444 2.063 57 HG21 VAL 8 HG21 VAL 8 1.235 7.558 2.721 58 HG22 VAL 8 HG22 VAL 8 0.005 6.368 3.161 59 HG23 VAL 8 HG23 VAL 8 -0.205 8.060 3.610 60 H ALA 9 HN ALA 9 -0.051 8.752 -1.001 61 HA ALA 9 HA ALA 9 -2.439 8.522 -2.412 62 HB1 ALA 9 HB1 ALA 9 -1.558 10.271 -3.845 63 HB2 ALA 9 HB2 ALA 9 0.065 9.970 -3.216 64 HB3 ALA 9 HB3 ALA 9 -1.189 10.604 -2.148 65 H GLY 10 HN GLY 10 0.820 7.400 -3.241 66 HA2 GLY 10 HA2 GLY 10 0.233 6.627 -5.898 67 HA3 GLY 10 HA1 GLY 10 1.608 6.085 -4.935 68 H LEU 11 HN LEU 11 0.061 5.035 -2.813 69 HA LEU 11 HA LEU 11 -0.564 2.442 -3.761 70 HB2 LEU 11 HB2 LEU 11 -1.329 3.837 -1.196 71 HB3 LEU 11 HB1 LEU 11 -1.550 2.129 -1.495 72 HG LEU 11 HG LEU 11 1.128 3.507 -1.442 73 HD11 LEU 11 HD11 LEU 11 0.064 3.620 0.745 74 HD12 LEU 11 HD12 LEU 11 1.386 2.447 0.771 75 HD13 LEU 11 HD13 LEU 11 -0.287 1.895 0.674 76 HD21 LEU 11 HD21 LEU 11 0.360 0.589 -1.384 77 HD22 LEU 11 HD22 LEU 11 1.999 1.226 -1.280 78 HD23 LEU 11 HD23 LEU 11 1.058 1.441 -2.759 79 H ALA 12 HN ALA 12 -2.541 5.079 -2.544 80 HA ALA 12 HA ALA 12 -5.032 3.875 -2.840 81 HB1 ALA 12 HB1 ALA 12 -4.581 5.781 -1.406 82 HB2 ALA 12 HB2 ALA 12 -5.976 6.006 -2.463 83 HB3 ALA 12 HB3 ALA 12 -4.447 6.810 -2.840 84 H GLU 13 HN GLU 13 -3.147 5.661 -5.219 85 HA GLU 13 HA GLU 13 -5.358 6.080 -6.925 86 HB2 GLU 13 HB2 GLU 13 -3.708 6.578 -8.711 87 HB3 GLU 13 HB1 GLU 13 -3.395 7.466 -7.229 88 HG2 GLU 13 HG2 GLU 13 -1.640 5.866 -6.662 89 HG3 GLU 13 HG1 GLU 13 -1.955 5.009 -8.167 90 H ILE 14 HN ILE 14 -3.022 3.425 -6.742 91 HA ILE 14 HA ILE 14 -4.437 2.169 -8.882 92 HB ILE 14 HB ILE 14 -2.350 0.874 -7.059 93 HG12 ILE 14 HG12 ILE 14 -1.067 0.810 -9.349 94 HG13 ILE 14 HG11 ILE 14 -2.150 2.116 -9.791 95 HG21 ILE 14 HG21 ILE 14 -3.624 -0.187 -9.561 96 HG22 ILE 14 HG22 ILE 14 -3.881 -0.764 -7.910 97 HG23 ILE 14 HG23 ILE 14 -2.297 -0.960 -8.677 98 HD11 ILE 14 HD11 ILE 14 -1.295 3.406 -7.864 99 HD12 ILE 14 HD12 ILE 14 -0.065 2.997 -9.057 100 HD13 ILE 14 HD13 ILE 14 -0.148 2.095 -7.551 101 H VAL 15 HN VAL 15 -4.580 2.126 -5.398 102 HA VAL 15 HA VAL 15 -6.301 -0.088 -5.152 103 HB VAL 15 HB VAL 15 -6.148 2.343 -3.303 104 HG11 VAL 15 HG11 VAL 15 -7.172 0.908 -1.618 105 HG12 VAL 15 HG12 VAL 15 -7.336 -0.378 -2.814 106 HG13 VAL 15 HG13 VAL 15 -8.241 1.126 -3.002 107 HG21 VAL 15 HG21 VAL 15 -4.888 -0.384 -3.089 108 HG22 VAL 15 HG22 VAL 15 -4.831 0.877 -1.863 109 HG23 VAL 15 HG23 VAL 15 -4.037 1.129 -3.422 110 H ASN 16 HN ASN 16 -6.916 3.215 -6.028 111 HA ASN 16 HA ASN 16 -9.754 3.178 -5.991 112 HB2 ASN 16 HB2 ASN 16 -8.509 5.286 -6.063 113 HB3 ASN 16 HB1 ASN 16 -7.830 4.862 -7.625 114 HD21 ASN 16 HD21 ASN 16 -10.657 6.012 -5.933 115 HD22 ASN 16 HD22 ASN 16 -11.522 6.483 -7.346 116 H GLU 17 HN GLU 17 -7.394 2.054 -8.260 117 HA GLU 17 HA GLU 17 -9.334 1.652 -10.348 118 HB2 GLU 17 HB2 GLU 17 -7.034 2.200 -10.971 119 HB3 GLU 17 HB1 GLU 17 -6.442 0.778 -10.121 120 HG2 GLU 17 HG2 GLU 17 -7.463 -0.679 -11.717 121 HG3 GLU 17 HG1 GLU 17 -8.294 0.672 -12.487 122 H ILE 18 HN ILE 18 -7.564 -0.298 -8.033 123 HA ILE 18 HA ILE 18 -8.475 -2.853 -8.793 124 HB ILE 18 HB ILE 18 -7.665 -1.858 -6.044 125 HG12 ILE 18 HG12 ILE 18 -5.923 -1.544 -7.682 126 HG13 ILE 18 HG11 ILE 18 -5.468 -2.824 -6.562 127 HG21 ILE 18 HG21 ILE 18 -8.905 -3.935 -5.842 128 HG22 ILE 18 HG22 ILE 18 -7.194 -4.202 -5.489 129 HG23 ILE 18 HG23 ILE 18 -7.860 -4.694 -7.046 130 HD11 ILE 18 HD11 ILE 18 -6.098 -4.496 -8.248 131 HD12 ILE 18 HD12 ILE 18 -4.849 -3.398 -8.844 132 HD13 ILE 18 HD13 ILE 18 -6.526 -3.198 -9.361 133 H ALA 19 HN ALA 19 -9.675 -0.693 -6.242 134 HA ALA 19 HA ALA 19 -12.191 -2.219 -6.292 135 HB1 ALA 19 HB1 ALA 19 -10.972 -2.517 -4.210 136 HB2 ALA 19 HB2 ALA 19 -12.487 -1.648 -3.945 137 HB3 ALA 19 HB3 ALA 19 -10.956 -0.772 -3.965 138 H GLY 20 HN GLY 20 -10.900 0.932 -5.355 139 HA2 GLY 20 HA2 GLY 20 -11.791 2.867 -6.630 140 HA3 GLY 20 HA1 GLY 20 -13.364 2.095 -6.503 141 H ILE 21 HN ILE 21 -10.745 3.148 -4.359 142 HA ILE 21 HA ILE 21 -12.789 4.219 -2.566 143 HB ILE 21 HB ILE 21 -10.721 4.613 -1.038 144 HG12 ILE 21 HG12 ILE 21 -9.029 2.734 -1.198 145 HG13 ILE 21 HG11 ILE 21 -9.636 2.423 -2.812 146 HG21 ILE 21 HG21 ILE 21 -12.482 3.285 -0.361 147 HG22 ILE 21 HG22 ILE 21 -10.975 2.476 0.048 148 HG23 ILE 21 HG23 ILE 21 -11.940 1.908 -1.333 149 HD11 ILE 21 HD11 ILE 21 -8.304 4.952 -1.859 150 HD12 ILE 21 HD12 ILE 21 -8.939 4.679 -3.482 151 HD13 ILE 21 HD13 ILE 21 -7.593 3.707 -2.891 152 HA PRO 22 HA PRO 22 -11.664 8.338 -3.634 153 HB2 PRO 22 HB2 PRO 22 -11.653 9.043 -0.757 154 HB3 PRO 22 HB1 PRO 22 -12.668 9.681 -2.052 155 HG2 PRO 22 HG2 PRO 22 -13.665 8.056 -0.169 156 HG3 PRO 22 HG1 PRO 22 -14.220 7.985 -1.854 157 HD2 PRO 22 HD2 PRO 22 -12.318 6.188 -0.413 158 HD3 PRO 22 HD1 PRO 22 -13.594 5.778 -1.581 159 H VAL 23 HN VAL 23 -9.661 9.105 -4.049 160 HA VAL 23 HA VAL 23 -7.408 7.878 -2.826 161 HB VAL 23 HB VAL 23 -7.629 8.424 -5.241 162 HG11 VAL 23 HG11 VAL 23 -7.285 11.263 -4.355 163 HG12 VAL 23 HG12 VAL 23 -8.718 10.538 -5.066 164 HG13 VAL 23 HG13 VAL 23 -7.240 10.701 -6.035 165 HG21 VAL 23 HG21 VAL 23 -5.463 7.966 -4.329 166 HG22 VAL 23 HG22 VAL 23 -5.279 9.658 -3.848 167 HG23 VAL 23 HG23 VAL 23 -5.335 9.225 -5.567 168 H GLU 24 HN GLU 24 -9.288 10.475 -2.115 169 HA GLU 24 HA GLU 24 -7.310 12.086 -0.721 170 HB2 GLU 24 HB2 GLU 24 -9.300 13.464 -0.172 171 HB3 GLU 24 HB1 GLU 24 -9.096 13.210 -1.904 172 HG2 GLU 24 HG2 GLU 24 -10.798 11.484 -1.881 173 HG3 GLU 24 HG1 GLU 24 -10.968 11.651 -0.139 174 H ASP 25 HN ASP 25 -9.340 9.398 -0.134 175 HA ASP 25 HA ASP 25 -10.068 10.098 2.578 176 HB2 ASP 25 HB2 ASP 25 -11.559 8.929 0.928 177 HB3 ASP 25 HB1 ASP 25 -10.557 7.509 1.101 178 H VAL 26 HN VAL 26 -7.670 8.339 0.956 179 HA VAL 26 HA VAL 26 -7.087 6.564 3.135 180 HB VAL 26 HB VAL 26 -5.462 7.074 0.624 181 HG11 VAL 26 HG11 VAL 26 -4.187 5.989 2.404 182 HG12 VAL 26 HG12 VAL 26 -4.504 4.856 1.087 183 HG13 VAL 26 HG13 VAL 26 -5.445 4.766 2.573 184 HG21 VAL 26 HG21 VAL 26 -7.556 4.976 1.184 185 HG22 VAL 26 HG22 VAL 26 -6.556 5.074 -0.267 186 HG23 VAL 26 HG23 VAL 26 -7.728 6.343 0.084 187 H LYS 27 HN LYS 27 -6.779 7.983 4.750 188 HA LYS 27 HA LYS 27 -4.332 9.579 4.814 189 HB2 LYS 27 HB2 LYS 27 -6.487 9.111 6.897 190 HB3 LYS 27 HB1 LYS 27 -5.146 10.241 7.063 191 HG2 LYS 27 HG2 LYS 27 -5.977 11.581 5.253 192 HG3 LYS 27 HG1 LYS 27 -7.231 10.397 4.901 193 HD2 LYS 27 HD2 LYS 27 -6.991 12.002 7.446 194 HD3 LYS 27 HD1 LYS 27 -8.102 12.344 6.116 195 HE2 LYS 27 HE2 LYS 27 -9.072 10.060 6.462 196 HE3 LYS 27 HE1 LYS 27 -8.070 9.917 7.904 197 HZ1 LYS 27 HZ1 LYS 27 -9.207 11.923 8.793 198 HZ2 LYS 27 HZ2 LYS 27 -10.301 10.666 8.475 199 HZ3 LYS 27 HZ3 LYS 27 -10.166 11.950 7.403 200 H LEU 28 HN LEU 28 -3.208 9.179 7.216 201 HA LEU 28 HA LEU 28 -1.931 6.682 6.810 202 HB2 LEU 28 HB2 LEU 28 -1.664 8.752 8.969 203 HB3 LEU 28 HB1 LEU 28 -0.778 7.251 9.040 204 HG LEU 28 HG LEU 28 0.634 9.044 8.246 205 HD11 LEU 28 HD11 LEU 28 1.512 8.086 6.234 206 HD12 LEU 28 HD12 LEU 28 0.043 7.123 6.022 207 HD13 LEU 28 HD13 LEU 28 1.099 6.845 7.415 208 HD21 LEU 28 HD21 LEU 28 -1.028 10.518 7.232 209 HD22 LEU 28 HD22 LEU 28 -1.286 9.353 5.933 210 HD23 LEU 28 HD23 LEU 28 0.272 10.165 6.091 211 H ASP 29 HN ASP 29 -4.727 7.412 8.545 212 HA ASP 29 HA ASP 29 -4.457 5.265 10.482 213 HB2 ASP 29 HB2 ASP 29 -6.710 5.885 11.212 214 HB3 ASP 29 HB1 ASP 29 -5.650 7.286 11.144 215 H LYS 30 HN LYS 30 -5.036 5.253 7.301 216 HA LYS 30 HA LYS 30 -7.255 3.412 7.237 217 HB2 LYS 30 HB2 LYS 30 -5.435 4.453 5.082 218 HB3 LYS 30 HB1 LYS 30 -6.780 3.355 4.798 219 HG2 LYS 30 HG2 LYS 30 -7.013 6.091 6.008 220 HG3 LYS 30 HG1 LYS 30 -7.331 5.687 4.316 221 HD2 LYS 30 HD2 LYS 30 -9.100 4.212 4.948 222 HD3 LYS 30 HD1 LYS 30 -8.716 4.427 6.659 223 HE2 LYS 30 HE2 LYS 30 -9.299 6.739 6.520 224 HE3 LYS 30 HE1 LYS 30 -9.611 6.595 4.790 225 HZ1 LYS 30 HZ1 LYS 30 -11.620 6.508 6.165 226 HZ2 LYS 30 HZ2 LYS 30 -11.051 5.031 6.839 227 HZ3 LYS 30 HZ3 LYS 30 -11.391 5.144 5.190 228 H SER 31 HN SER 31 -7.089 1.296 7.365 229 HA SER 31 HA SER 31 -4.565 0.031 6.683 230 HB2 SER 31 HB2 SER 31 -5.793 -1.851 8.073 231 HB3 SER 31 HB1 SER 31 -4.938 -0.531 8.887 232 HG SER 31 HG SER 31 -6.817 -0.160 9.794 233 H PHE 32 HN PHE 32 -5.010 -2.263 5.522 234 HA PHE 32 HA PHE 32 -6.363 -1.184 3.268 235 HB2 PHE 32 HB2 PHE 32 -4.661 -3.615 3.665 236 HB3 PHE 32 HB1 PHE 32 -5.413 -3.196 2.127 237 HD1 PHE 32 HD1 PHE 32 -3.020 -2.027 4.688 238 HD2 PHE 32 HD2 PHE 32 -4.472 -1.560 0.719 239 HE1 PHE 32 HE1 PHE 32 -1.119 -0.560 4.168 240 HE2 PHE 32 HE2 PHE 32 -2.580 -0.095 0.196 241 HZ PHE 32 HZ PHE 32 -0.938 0.459 1.930 242 H THR 33 HN THR 33 -6.619 -4.216 5.073 243 HA THR 33 HA THR 33 -9.303 -4.111 4.075 244 HB THR 33 HB THR 33 -9.268 -6.587 4.627 245 HG1 THR 33 HG1 THR 33 -6.544 -6.397 3.904 246 HG21 THR 33 HG21 THR 33 -7.847 -5.485 2.214 247 HG22 THR 33 HG22 THR 33 -9.588 -5.746 2.387 248 HG23 THR 33 HG23 THR 33 -8.486 -7.123 2.330 249 H ASP 34 HN ASP 34 -8.231 -2.886 6.381 250 HA ASP 34 HA ASP 34 -9.879 -4.220 8.417 251 HB2 ASP 34 HB2 ASP 34 -7.541 -2.353 8.930 252 HB3 ASP 34 HB1 ASP 34 -8.571 -3.052 10.161 253 H ASP 35 HN ASP 35 -8.947 -1.159 6.887 254 HA ASP 35 HA ASP 35 -11.395 0.008 8.057 255 HB2 ASP 35 HB2 ASP 35 -9.100 0.982 8.817 256 HB3 ASP 35 HB1 ASP 35 -9.044 1.676 7.211 257 H LEU 36 HN LEU 36 -9.560 -0.566 5.163 258 HA LEU 36 HA LEU 36 -11.011 1.387 3.606 259 HB2 LEU 36 HB2 LEU 36 -8.957 -0.676 2.827 260 HB3 LEU 36 HB1 LEU 36 -9.716 0.413 1.690 261 HG LEU 36 HG LEU 36 -7.964 1.245 4.000 262 HD11 LEU 36 HD11 LEU 36 -6.719 0.126 2.211 263 HD12 LEU 36 HD12 LEU 36 -6.363 1.852 2.255 264 HD13 LEU 36 HD13 LEU 36 -7.450 1.209 1.025 265 HD21 LEU 36 HD21 LEU 36 -8.099 3.455 2.985 266 HD22 LEU 36 HD22 LEU 36 -9.690 2.849 3.479 267 HD23 LEU 36 HD23 LEU 36 -9.228 2.820 1.777 268 H ASP 37 HN ASP 37 -11.488 0.258 1.245 269 HA ASP 37 HA ASP 37 -13.351 -1.915 1.761 270 HB2 ASP 37 HB2 ASP 37 -13.998 0.703 0.410 271 HB3 ASP 37 HB1 ASP 37 -14.914 -0.760 0.073 272 H VAL 38 HN VAL 38 -11.580 -3.082 0.881 273 HA VAL 38 HA VAL 38 -11.696 -3.105 -2.008 274 HB VAL 38 HB VAL 38 -9.372 -3.832 -1.963 275 HG11 VAL 38 HG11 VAL 38 -9.867 -1.496 -2.499 276 HG12 VAL 38 HG12 VAL 38 -8.353 -1.586 -1.599 277 HG13 VAL 38 HG13 VAL 38 -9.837 -1.086 -0.787 278 HG21 VAL 38 HG21 VAL 38 -9.139 -4.597 0.296 279 HG22 VAL 38 HG22 VAL 38 -9.394 -2.963 0.913 280 HG23 VAL 38 HG23 VAL 38 -7.938 -3.342 -0.009 281 H ASP 39 HN ASP 39 -10.744 -5.240 -2.756 282 HA ASP 39 HA ASP 39 -11.655 -7.471 -1.110 283 HB2 ASP 39 HB2 ASP 39 -12.210 -7.460 -3.557 284 HB3 ASP 39 HB1 ASP 39 -10.476 -7.312 -3.861 285 H SER 40 HN SER 40 -10.209 -8.744 -0.144 286 HA SER 40 HA SER 40 -7.676 -7.644 0.382 287 HB2 SER 40 HB2 SER 40 -7.287 -9.686 1.718 288 HB3 SER 40 HB1 SER 40 -8.824 -8.885 2.080 289 H LEU 41 HN LEU 41 -8.554 -10.610 -1.351 290 HA LEU 41 HA LEU 41 -5.929 -11.290 -1.917 291 HB2 LEU 41 HB2 LEU 41 -8.448 -12.041 -3.390 292 HB3 LEU 41 HB1 LEU 41 -6.885 -12.636 -3.887 293 HG LEU 41 HG LEU 41 -6.664 -13.712 -1.622 294 HD11 LEU 41 HD11 LEU 41 -8.688 -14.108 -0.331 295 HD12 LEU 41 HD12 LEU 41 -9.577 -12.994 -1.370 296 HD13 LEU 41 HD13 LEU 41 -8.256 -12.401 -0.359 297 HD21 LEU 41 HD21 LEU 41 -8.979 -14.556 -3.342 298 HD22 LEU 41 HD22 LEU 41 -8.148 -15.570 -2.162 299 HD23 LEU 41 HD23 LEU 41 -7.284 -14.978 -3.580 300 H SER 42 HN SER 42 -8.119 -9.104 -3.438 301 HA SER 42 HA SER 42 -6.533 -8.653 -5.762 302 HB2 SER 42 HB2 SER 42 -8.797 -7.011 -4.653 303 HB3 SER 42 HB1 SER 42 -8.080 -6.902 -6.272 304 HG SER 42 HG SER 42 -9.457 -9.075 -5.108 305 H MET 43 HN MET 43 -6.277 -7.520 -2.514 306 HA MET 43 HA MET 43 -5.052 -5.028 -3.102 307 HB2 MET 43 HB2 MET 43 -5.797 -5.683 -0.777 308 HB3 MET 43 HB1 MET 43 -4.437 -6.803 -0.719 309 HG2 MET 43 HG2 MET 43 -2.983 -4.765 -1.249 310 HG3 MET 43 HG1 MET 43 -4.386 -3.805 -0.806 311 HE1 MET 43 HE1 MET 43 -2.854 -7.163 0.660 312 HE2 MET 43 HE2 MET 43 -1.928 -6.502 2.005 313 HE3 MET 43 HE3 MET 43 -1.486 -6.095 0.348 314 H VAL 44 HN VAL 44 -4.143 -8.281 -3.188 315 HA VAL 44 HA VAL 44 -1.337 -8.033 -3.186 316 HB VAL 44 HB VAL 44 -3.041 -10.213 -4.447 317 HG11 VAL 44 HG11 VAL 44 -1.092 -11.659 -4.143 318 HG12 VAL 44 HG12 VAL 44 -0.162 -10.282 -3.552 319 HG13 VAL 44 HG13 VAL 44 -0.737 -10.308 -5.218 320 HG21 VAL 44 HG21 VAL 44 -3.619 -9.925 -2.102 321 HG22 VAL 44 HG22 VAL 44 -1.937 -10.008 -1.628 322 HG23 VAL 44 HG23 VAL 44 -2.729 -11.429 -2.309 323 H GLU 45 HN GLU 45 -3.770 -7.421 -5.535 324 HA GLU 45 HA GLU 45 -2.095 -7.499 -7.852 325 HB2 GLU 45 HB2 GLU 45 -4.822 -6.256 -7.454 326 HB3 GLU 45 HB1 GLU 45 -4.034 -6.529 -9.001 327 HG2 GLU 45 HG2 GLU 45 -4.880 -8.677 -7.070 328 HG3 GLU 45 HG1 GLU 45 -5.768 -8.189 -8.512 329 H VAL 46 HN VAL 46 -3.261 -5.037 -5.576 330 HA VAL 46 HA VAL 46 -2.107 -2.937 -7.128 331 HB VAL 46 HB VAL 46 -4.072 -2.323 -5.837 332 HG11 VAL 46 HG11 VAL 46 -2.509 -2.900 -3.345 333 HG12 VAL 46 HG12 VAL 46 -3.821 -3.871 -4.003 334 HG13 VAL 46 HG13 VAL 46 -4.146 -2.229 -3.431 335 HG21 VAL 46 HG21 VAL 46 -2.475 -0.546 -6.210 336 HG22 VAL 46 HG22 VAL 46 -1.633 -0.963 -4.717 337 HG23 VAL 46 HG23 VAL 46 -3.279 -0.328 -4.656 338 H VAL 47 HN VAL 47 -1.121 -4.713 -4.231 339 HA VAL 47 HA VAL 47 1.081 -3.068 -3.693 340 HB VAL 47 HB VAL 47 0.307 -4.629 -1.977 341 HG11 VAL 47 HG11 VAL 47 -0.344 -6.493 -3.354 342 HG12 VAL 47 HG12 VAL 47 0.771 -7.019 -2.089 343 HG13 VAL 47 HG13 VAL 47 1.343 -6.821 -3.745 344 HG21 VAL 47 HG21 VAL 47 2.460 -5.523 -1.209 345 HG22 VAL 47 HG22 VAL 47 2.605 -3.871 -1.817 346 HG23 VAL 47 HG23 VAL 47 3.142 -5.223 -2.808 347 H VAL 48 HN VAL 48 0.822 -5.848 -5.862 348 HA VAL 48 HA VAL 48 3.590 -5.949 -6.408 349 HB VAL 48 HB VAL 48 2.023 -7.840 -6.861 350 HG11 VAL 48 HG11 VAL 48 0.156 -6.682 -7.788 351 HG12 VAL 48 HG12 VAL 48 0.727 -7.909 -8.921 352 HG13 VAL 48 HG13 VAL 48 1.104 -6.209 -9.199 353 HG21 VAL 48 HG21 VAL 48 4.222 -7.884 -7.879 354 HG22 VAL 48 HG22 VAL 48 3.625 -6.960 -9.257 355 HG23 VAL 48 HG23 VAL 48 3.034 -8.595 -8.970 356 H ALA 49 HN ALA 49 1.056 -3.930 -7.575 357 HA ALA 49 HA ALA 49 2.599 -2.924 -9.808 358 HB1 ALA 49 HB1 ALA 49 0.157 -3.091 -10.003 359 HB2 ALA 49 HB2 ALA 49 0.693 -1.420 -10.170 360 HB3 ALA 49 HB3 ALA 49 -0.030 -1.967 -8.656 361 H ALA 50 HN ALA 50 1.972 -2.179 -6.511 362 HA ALA 50 HA ALA 50 2.830 0.516 -6.572 363 HB1 ALA 50 HB1 ALA 50 2.731 -1.399 -4.242 364 HB2 ALA 50 HB2 ALA 50 1.415 -0.349 -4.771 365 HB3 ALA 50 HB3 ALA 50 2.904 0.352 -4.132 366 H GLU 51 HN GLU 51 4.417 -2.543 -6.101 367 HA GLU 51 HA GLU 51 6.907 -1.747 -5.163 368 HB2 GLU 51 HB2 GLU 51 6.302 -3.946 -7.139 369 HB3 GLU 51 HB1 GLU 51 7.790 -3.780 -6.215 370 HG2 GLU 51 HG2 GLU 51 6.511 -4.061 -4.142 371 HG3 GLU 51 HG1 GLU 51 5.043 -4.258 -5.099 372 H GLU 52 HN GLU 52 5.768 -1.938 -8.503 373 HA GLU 52 HA GLU 52 8.260 -1.016 -9.538 374 HB2 GLU 52 HB2 GLU 52 7.113 -0.986 -11.726 375 HB3 GLU 52 HB1 GLU 52 6.938 -2.520 -10.884 376 HG2 GLU 52 HG2 GLU 52 4.676 -1.832 -10.170 377 HG3 GLU 52 HG1 GLU 52 4.900 -0.338 -11.045 378 H ARG 53 HN ARG 53 5.497 0.565 -8.275 379 HA ARG 53 HA ARG 53 5.903 3.030 -9.740 380 HB2 ARG 53 HB2 ARG 53 4.215 2.519 -7.274 381 HB3 ARG 53 HB1 ARG 53 4.262 4.031 -8.155 382 HG2 ARG 53 HG2 ARG 53 3.289 1.389 -9.221 383 HG3 ARG 53 HG1 ARG 53 2.278 2.726 -8.676 384 HD2 ARG 53 HD2 ARG 53 3.089 4.125 -10.468 385 HD3 ARG 53 HD1 ARG 53 4.244 2.881 -10.961 386 HE ARG 53 HE ARG 53 1.328 2.771 -11.255 387 HH11 ARG 53 HH11 ARG 53 4.549 1.736 -12.289 388 HH12 ARG 53 HH12 ARG 53 3.997 0.415 -13.208 389 HH21 ARG 53 HH21 ARG 53 0.538 0.985 -12.672 390 HH22 ARG 53 HH22 ARG 53 1.679 0.031 -13.489 391 H PHE 54 HN PHE 54 6.440 1.940 -6.409 392 HA PHE 54 HA PHE 54 7.651 4.482 -5.758 393 HB2 PHE 54 HB2 PHE 54 7.196 2.076 -4.010 394 HB3 PHE 54 HB1 PHE 54 7.712 3.669 -3.464 395 HD1 PHE 54 HD2 PHE 54 6.129 5.599 -4.483 396 HD2 PHE 54 HD1 PHE 54 5.018 1.584 -3.678 397 HE1 PHE 54 HE2 PHE 54 3.783 6.288 -4.266 398 HE2 PHE 54 HE1 PHE 54 2.679 2.270 -3.459 399 HZ PHE 54 HZ PHE 54 2.058 4.604 -3.833 400 H ASP 55 HN ASP 55 8.869 1.985 -7.309 401 HA ASP 55 HA ASP 55 10.970 1.200 -7.756 402 HB2 ASP 55 HB2 ASP 55 11.699 3.618 -6.113 403 HB3 ASP 55 HB1 ASP 55 12.944 2.563 -6.790 404 H VAL 56 HN VAL 56 9.478 0.150 -5.599 405 HA VAL 56 HA VAL 56 11.607 -0.772 -3.794 406 HB VAL 56 HB VAL 56 9.798 -1.374 -2.157 407 HG11 VAL 56 HG11 VAL 56 9.434 0.820 -1.301 408 HG12 VAL 56 HG12 VAL 56 9.919 1.541 -2.844 409 HG13 VAL 56 HG13 VAL 56 11.097 0.651 -1.861 410 HG21 VAL 56 HG21 VAL 56 8.029 0.238 -4.010 411 HG22 VAL 56 HG22 VAL 56 7.595 -0.265 -2.382 412 HG23 VAL 56 HG23 VAL 56 7.885 -1.477 -3.626 413 H LYS 57 HN LYS 57 10.668 -2.870 -2.681 414 HA LYS 57 HA LYS 57 9.170 -4.567 -4.413 415 HB2 LYS 57 HB2 LYS 57 11.468 -5.138 -5.081 416 HB3 LYS 57 HB1 LYS 57 11.944 -5.289 -3.392 417 HG2 LYS 57 HG2 LYS 57 10.598 -7.228 -3.098 418 HG3 LYS 57 HG1 LYS 57 9.832 -7.005 -4.668 419 HD2 LYS 57 HD2 LYS 57 12.754 -7.588 -4.237 420 HD3 LYS 57 HD1 LYS 57 11.536 -8.800 -4.636 421 HE2 LYS 57 HE2 LYS 57 11.032 -7.526 -6.706 422 HE3 LYS 57 HE1 LYS 57 12.356 -6.435 -6.310 423 HZ1 LYS 57 HZ1 LYS 57 12.567 -9.340 -6.842 424 HZ2 LYS 57 HZ2 LYS 57 13.863 -8.360 -6.391 425 HZ3 LYS 57 HZ3 LYS 57 13.083 -8.097 -7.864 426 H ILE 58 HN ILE 58 7.845 -5.724 -3.180 427 HA ILE 58 HA ILE 58 8.301 -5.520 -0.291 428 HB ILE 58 HB ILE 58 5.577 -5.271 -1.624 429 HG12 ILE 58 HG12 ILE 58 7.265 -3.084 -0.366 430 HG13 ILE 58 HG11 ILE 58 7.049 -3.304 -2.095 431 HG21 ILE 58 HG21 ILE 58 5.544 -6.200 0.644 432 HG22 ILE 58 HG22 ILE 58 4.853 -4.577 0.625 433 HG23 ILE 58 HG23 ILE 58 6.491 -4.831 1.227 434 HD11 ILE 58 HD11 ILE 58 5.634 -1.528 -1.241 435 HD12 ILE 58 HD12 ILE 58 4.879 -2.657 -0.116 436 HD13 ILE 58 HD13 ILE 58 4.664 -2.867 -1.853 437 HA PRO 59 HA PRO 59 7.913 -9.944 -1.076 438 HB2 PRO 59 HB2 PRO 59 8.757 -9.977 1.767 439 HB3 PRO 59 HB1 PRO 59 9.464 -10.814 0.379 440 HG2 PRO 59 HG2 PRO 59 10.703 -8.733 1.469 441 HG3 PRO 59 HG1 PRO 59 10.673 -8.949 -0.294 442 HD2 PRO 59 HD2 PRO 59 8.983 -7.160 1.417 443 HD3 PRO 59 HD1 PRO 59 9.809 -6.793 -0.116 444 H ASP 60 HN ASP 60 6.289 -11.233 -0.650 445 HA ASP 60 HA ASP 60 3.875 -10.264 0.288 446 HB2 ASP 60 HB2 ASP 60 4.712 -13.137 -0.110 447 HB3 ASP 60 HB1 ASP 60 3.059 -12.639 0.221 448 H ASP 61 HN ASP 61 6.259 -12.120 2.084 449 HA ASP 61 HA ASP 61 4.503 -12.584 4.293 450 HB2 ASP 61 HB2 ASP 61 7.524 -12.732 4.181 451 HB3 ASP 61 HB1 ASP 61 6.572 -13.174 5.590 452 H ASP 62 HN ASP 62 6.697 -10.011 3.455 453 HA ASP 62 HA ASP 62 6.617 -8.729 6.012 454 HB2 ASP 62 HB2 ASP 62 7.364 -7.686 3.270 455 HB3 ASP 62 HB1 ASP 62 7.373 -6.667 4.704 456 H VAL 63 HN VAL 63 4.779 -8.582 3.091 457 HA VAL 63 HA VAL 63 3.110 -6.398 3.552 458 HB VAL 63 HB VAL 63 2.349 -9.048 2.267 459 HG11 VAL 63 HG11 VAL 63 1.069 -6.334 1.993 460 HG12 VAL 63 HG12 VAL 63 0.390 -7.732 2.828 461 HG13 VAL 63 HG13 VAL 63 0.628 -7.778 1.080 462 HG21 VAL 63 HG21 VAL 63 3.411 -6.525 1.004 463 HG22 VAL 63 HG22 VAL 63 2.855 -7.956 0.135 464 HG23 VAL 63 HG23 VAL 63 4.278 -8.052 1.172 465 H LYS 64 HN LYS 64 2.664 -9.806 4.393 466 HA LYS 64 HA LYS 64 0.119 -9.619 5.601 467 HB2 LYS 64 HB2 LYS 64 2.281 -11.671 6.106 468 HB3 LYS 64 HB1 LYS 64 0.571 -11.857 6.464 469 HG2 LYS 64 HG2 LYS 64 0.033 -11.769 4.106 470 HG3 LYS 64 HG1 LYS 64 1.727 -11.480 3.711 471 HD2 LYS 64 HD2 LYS 64 2.279 -13.679 4.732 472 HD3 LYS 64 HD1 LYS 64 0.552 -13.959 4.960 473 HE2 LYS 64 HE2 LYS 64 1.915 -13.488 2.308 474 HE3 LYS 64 HE1 LYS 64 1.426 -15.057 2.932 475 HZ1 LYS 64 HZ1 LYS 64 -0.419 -12.804 2.276 476 HZ2 LYS 64 HZ2 LYS 64 -0.878 -14.343 2.862 477 HZ3 LYS 64 HZ3 LYS 64 -0.183 -14.202 1.361 478 H ASN 65 HN ASN 65 3.185 -8.767 6.739 479 HA ASN 65 HA ASN 65 2.532 -9.039 9.544 480 HB2 ASN 65 HB2 ASN 65 5.004 -8.354 8.023 481 HB3 ASN 65 HB1 ASN 65 4.889 -7.917 9.714 482 HD21 ASN 65 HD21 ASN 65 3.418 -10.838 8.406 483 HD22 ASN 65 HD22 ASN 65 4.487 -11.939 9.191 484 H LEU 66 HN LEU 66 2.078 -6.643 7.177 485 HA LEU 66 HA LEU 66 2.467 -4.479 9.089 486 HB2 LEU 66 HB2 LEU 66 1.698 -4.378 6.179 487 HB3 LEU 66 HB1 LEU 66 1.946 -2.977 7.198 488 HG LEU 66 HG LEU 66 4.053 -4.989 6.412 489 HD11 LEU 66 HD11 LEU 66 3.384 -3.532 4.610 490 HD12 LEU 66 HD12 LEU 66 5.005 -3.106 5.180 491 HD13 LEU 66 HD13 LEU 66 3.603 -2.129 5.657 492 HD21 LEU 66 HD21 LEU 66 5.628 -3.480 7.525 493 HD22 LEU 66 HD22 LEU 66 4.443 -4.116 8.669 494 HD23 LEU 66 HD23 LEU 66 4.284 -2.469 8.056 495 H LYS 67 HN LYS 67 0.613 -2.648 8.689 496 HA LYS 67 HA LYS 67 -1.923 -4.030 9.196 497 HB2 LYS 67 HB2 LYS 67 -0.854 -1.740 10.864 498 HB3 LYS 67 HB1 LYS 67 -2.396 -2.545 11.089 499 HG2 LYS 67 HG2 LYS 67 -1.209 -4.625 11.632 500 HG3 LYS 67 HG1 LYS 67 0.318 -3.767 11.409 501 HD2 LYS 67 HD2 LYS 67 -1.751 -2.855 13.411 502 HD3 LYS 67 HD1 LYS 67 -0.575 -4.095 13.819 503 HE2 LYS 67 HE2 LYS 67 0.219 -1.982 14.650 504 HE3 LYS 67 HE1 LYS 67 1.239 -2.458 13.304 505 HZ1 LYS 67 HZ1 LYS 67 -0.968 -0.444 13.122 506 HZ2 LYS 67 HZ2 LYS 67 0.196 -0.817 11.915 507 HZ3 LYS 67 HZ3 LYS 67 0.669 -0.096 13.309 508 H THR 68 HN THR 68 -0.842 -0.630 9.262 509 HA THR 68 HA THR 68 -3.176 0.057 7.644 510 HB THR 68 HB THR 68 -2.780 2.353 8.449 511 HG1 THR 68 HG1 THR 68 -0.684 1.199 10.040 512 HG21 THR 68 HG21 THR 68 -2.892 0.282 10.655 513 HG22 THR 68 HG22 THR 68 -4.275 0.996 9.807 514 HG23 THR 68 HG23 THR 68 -3.276 1.985 10.860 515 H VAL 69 HN VAL 69 -2.580 2.312 6.499 516 HA VAL 69 HA VAL 69 -0.445 1.807 4.680 517 HB VAL 69 HB VAL 69 -0.983 4.005 3.659 518 HG11 VAL 69 HG11 VAL 69 -2.252 2.073 2.936 519 HG12 VAL 69 HG12 VAL 69 -3.262 3.519 2.919 520 HG13 VAL 69 HG13 VAL 69 -3.428 2.342 4.223 521 HG21 VAL 69 HG21 VAL 69 -1.578 5.236 5.684 522 HG22 VAL 69 HG22 VAL 69 -3.031 4.251 5.860 523 HG23 VAL 69 HG23 VAL 69 -2.873 5.335 4.493 524 H GLY 70 HN GLY 70 -0.717 3.156 7.755 525 HA2 GLY 70 HA2 GLY 70 1.504 4.934 7.654 526 HA3 GLY 70 HA1 GLY 70 0.760 4.246 9.106 527 H ASP 71 HN ASP 71 0.910 1.599 8.562 528 HA ASP 71 HA ASP 71 3.574 0.879 9.214 529 HB2 ASP 71 HB2 ASP 71 1.347 -0.822 8.079 530 HB3 ASP 71 HB1 ASP 71 2.842 -1.449 8.739 531 H ALA 72 HN ALA 72 1.708 0.903 6.274 532 HA ALA 72 HA ALA 72 3.508 -0.509 4.639 533 HB1 ALA 72 HB1 ALA 72 2.206 0.364 2.763 534 HB2 ALA 72 HB2 ALA 72 1.418 1.515 3.841 535 HB3 ALA 72 HB3 ALA 72 1.149 -0.217 4.047 536 H THR 73 HN THR 73 2.912 2.942 5.105 537 HA THR 73 HA THR 73 4.798 3.811 3.324 538 HB THR 73 HB THR 73 4.818 5.928 4.802 539 HG1 THR 73 HG1 THR 73 2.512 4.717 5.844 540 HG21 THR 73 HG21 THR 73 3.578 5.643 2.731 541 HG22 THR 73 HG22 THR 73 2.696 6.625 3.902 542 HG23 THR 73 HG23 THR 73 2.237 4.940 3.631 543 H LYS 74 HN LYS 74 5.161 3.299 6.851 544 HA LYS 74 HA LYS 74 7.762 4.161 7.197 545 HB2 LYS 74 HB2 LYS 74 6.447 1.761 8.490 546 HB3 LYS 74 HB1 LYS 74 7.959 2.459 9.023 547 HG2 LYS 74 HG2 LYS 74 5.254 3.791 9.069 548 HG3 LYS 74 HG1 LYS 74 6.130 3.148 10.457 549 HD2 LYS 74 HD2 LYS 74 7.962 4.792 9.927 550 HD3 LYS 74 HD1 LYS 74 6.880 5.497 8.725 551 HE2 LYS 74 HE2 LYS 74 6.370 5.296 11.699 552 HE3 LYS 74 HE1 LYS 74 6.797 6.758 10.818 553 HZ1 LYS 74 HZ1 LYS 74 4.453 6.748 11.215 554 HZ2 LYS 74 HZ2 LYS 74 4.276 5.197 10.632 555 HZ3 LYS 74 HZ3 LYS 74 4.651 6.453 9.564 556 H TYR 75 HN TYR 75 6.693 0.973 6.138 557 HA TYR 75 HA TYR 75 9.283 -0.137 5.827 558 HB2 TYR 75 HB2 TYR 75 7.286 -1.542 6.111 559 HB3 TYR 75 HB1 TYR 75 6.646 -0.958 4.580 560 HD1 TYR 75 HD2 TYR 75 7.697 -1.681 2.437 561 HD2 TYR 75 HD1 TYR 75 8.973 -3.233 6.186 562 HE1 TYR 75 HE2 TYR 75 8.856 -3.478 1.272 563 HE2 TYR 75 HE1 TYR 75 10.135 -5.057 5.032 564 HH TYR 75 HH TYR 75 10.069 -6.220 2.946 565 H ILE 76 HN ILE 76 6.922 1.034 3.450 566 HA ILE 76 HA ILE 76 8.422 0.500 1.154 567 HB ILE 76 HB ILE 76 6.262 2.569 1.560 568 HG12 ILE 76 HG12 ILE 76 6.141 -0.178 0.315 569 HG13 ILE 76 HG11 ILE 76 5.654 0.192 1.967 570 HG21 ILE 76 HG21 ILE 76 7.612 3.129 -0.403 571 HG22 ILE 76 HG22 ILE 76 6.023 2.549 -0.898 572 HG23 ILE 76 HG23 ILE 76 7.429 1.487 -1.022 573 HD11 ILE 76 HD11 ILE 76 3.744 0.093 0.483 574 HD12 ILE 76 HD12 ILE 76 4.485 1.367 -0.516 575 HD13 ILE 76 HD13 ILE 76 4.006 1.717 1.147 576 H LEU 77 HN LEU 77 8.018 3.627 2.844 577 HA LEU 77 HA LEU 77 9.580 4.971 0.973 578 HB2 LEU 77 HB2 LEU 77 9.597 6.914 2.466 579 HB3 LEU 77 HB1 LEU 77 8.002 6.237 2.280 580 HG LEU 77 HG LEU 77 8.404 5.141 4.576 581 HD11 LEU 77 HD11 LEU 77 10.794 5.492 4.749 582 HD12 LEU 77 HD12 LEU 77 9.946 6.303 6.066 583 HD13 LEU 77 HD13 LEU 77 10.559 7.239 4.699 584 HD21 LEU 77 HD21 LEU 77 8.153 8.126 4.334 585 HD22 LEU 77 HD22 LEU 77 7.678 7.161 5.736 586 HD23 LEU 77 HD23 LEU 77 6.852 6.945 4.191 587 H ASP 78 HN ASP 78 10.477 3.023 3.497 588 HA ASP 78 HA ASP 78 13.143 4.144 3.885 589 HB2 ASP 78 HB2 ASP 78 12.036 2.925 5.726 590 HB3 ASP 78 HB1 ASP 78 12.069 1.452 4.765 591 H HIS 79 HN HIS 79 11.658 1.599 2.051 592 HA HIS 79 HA HIS 79 14.241 0.527 1.228 593 HB2 HIS 79 HB2 HIS 79 11.440 -0.516 0.914 594 HB3 HIS 79 HB1 HIS 79 12.773 -1.189 -0.008 595 HD1 HIS 79 HD1 HIS 79 14.292 -2.824 1.162 596 HD2 HIS 79 HD2 HIS 79 11.623 -0.984 3.767 597 HE1 HIS 79 HE1 HIS 79 14.433 -4.119 3.290 598 HE2 HIS 79 HE2 HIS 79 12.723 -3.140 4.790 599 H GLN 80 HN GLN 80 12.522 3.012 0.161 600 HA GLN 80 HA GLN 80 12.290 2.485 -2.647 601 HB2 GLN 80 HB2 GLN 80 12.533 5.143 -1.266 602 HB3 GLN 80 HB1 GLN 80 12.028 4.877 -2.916 603 HG2 GLN 80 HG2 GLN 80 10.041 3.727 -2.081 604 HG3 GLN 80 HG1 GLN 80 10.560 4.101 -0.427 605 HE21 GLN 80 HE21 GLN 80 10.766 6.323 0.165 606 HE22 GLN 80 HE22 GLN 80 9.831 7.517 -0.648 607 H ALA 81 HN ALA 81 13.386 4.188 -4.111 608 HA ALA 81 HA ALA 81 16.232 4.337 -3.514 609 HB1 ALA 81 HB1 ALA 81 15.713 3.127 -5.590 610 HB2 ALA 81 HB2 ALA 81 16.495 4.666 -5.959 611 HB3 ALA 81 HB3 ALA 81 14.752 4.494 -6.152 612 H28 SXO 101 H28B SXO 101 -7.066 -11.679 3.623 613 H28A SXO 101 H28A SXO 101 -6.556 -11.914 1.945 614 H30 SXO 101 H30A SXO 101 -8.083 -14.232 4.193 615 H30A SXO 101 H30C SXO 101 -6.559 -14.934 4.843 616 H30B SXO 101 H30B SXO 101 -6.929 -13.202 5.077 617 H31 SXO 101 H31A SXO 101 -6.005 -14.309 1.218 618 H31A SXO 101 H31B SXO 101 -7.507 -14.889 1.938 619 H31B SXO 101 H31C SXO 101 -5.961 -15.597 2.432 620 H32 SXO 101 H32A SXO 101 -4.825 -12.759 4.475 621 HO33 SXO 101 H33A SXO 101 -3.515 -14.720 3.330 622 HN36 SXO 101 H36A SXO 101 -4.947 -11.157 2.786 623 H37 SXO 101 H37A SXO 101 -2.557 -10.481 1.803 624 H37A SXO 101 H37B SXO 101 -3.301 -11.390 0.477 625 H38 SXO 101 H38B SXO 101 -5.144 -9.882 0.419 626 H38A SXO 101 H38A SXO 101 -3.636 -8.980 0.275 627 HN41 SXO 101 H41A SXO 101 -3.699 -9.710 3.276 628 H42 SXO 101 H42A SXO 101 -4.451 -7.103 4.223 629 H42A SXO 101 H42B SXO 101 -5.579 -8.284 4.732 630 H43 SXO 101 H43B SXO 101 -4.018 -8.059 6.463 631 H43A SXO 101 H43A SXO 101 -3.654 -9.602 5.667 632 H2 SXO 101 H2A SXO 101 -0.167 -6.146 5.231 633 H2A SXO 101 H2B SXO 101 -0.874 -4.817 6.148 634 H3 SXO 101 H3B SXO 101 -1.082 -5.171 3.162 635 H3A SXO 101 H3A SXO 101 -1.661 -3.793 4.103 636 H4 SXO 101 H4A SXO 101 1.208 -4.691 3.835 637 H4A SXO 101 H4B SXO 101 0.661 -3.359 4.844 638 H5 SXO 101 H5B SXO 101 -0.191 -2.210 2.841 639 H5A SXO 101 H5A SXO 101 1.549 -2.484 2.788 640 H6 SXO 101 H6A SXO 101 -0.520 -4.198 1.404 641 H6A SXO 101 H6B SXO 101 1.232 -4.368 1.288 642 H7 SXO 101 H7A SXO 101 -0.340 -1.944 0.379 643 H7A SXO 101 H7B SXO 101 0.308 -3.205 -0.685 644 H8 SXO 101 H8C SXO 101 2.572 -2.657 0.091 645 H8A SXO 101 H8A SXO 101 1.910 -1.389 1.121 646 H8B SXO 101 H8B SXO 101 1.783 -1.259 -0.636 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 11.171 7.987 -6.368 2 H2 ALA 1 HT2 ALA 1 9.576 7.983 -6.802 3 H3 ALA 1 HT3 ALA 1 10.447 6.536 -6.869 4 HA ALA 1 HA ALA 1 9.080 6.512 -4.909 5 HB1 ALA 1 HB1 ALA 1 11.310 5.549 -4.723 6 HB2 ALA 1 HB2 ALA 1 10.818 6.296 -3.204 7 HB3 ALA 1 HB3 ALA 1 11.961 7.123 -4.264 8 H ALA 2 HN ALA 2 8.642 7.578 -2.739 9 HA ALA 2 HA ALA 2 9.131 10.415 -2.594 10 HB1 ALA 2 HB1 ALA 2 7.223 10.231 -4.131 11 HB2 ALA 2 HB2 ALA 2 6.764 10.963 -2.595 12 HB3 ALA 2 HB3 ALA 2 6.361 9.272 -2.928 13 H THR 3 HN THR 3 7.449 11.121 -0.616 14 HA THR 3 HA THR 3 8.350 9.358 1.516 15 HB THR 3 HB THR 3 7.107 12.069 1.945 16 HG1 THR 3 HG1 THR 3 8.475 12.511 0.342 17 HG21 THR 3 HG21 THR 3 7.867 10.838 3.954 18 HG22 THR 3 HG22 THR 3 8.923 12.218 3.664 19 HG23 THR 3 HG23 THR 3 9.438 10.602 3.192 20 H GLN 4 HN GLN 4 6.647 9.638 3.570 21 HA GLN 4 HA GLN 4 4.874 7.633 3.118 22 HB2 GLN 4 HB2 GLN 4 4.631 9.754 5.232 23 HB3 GLN 4 HB1 GLN 4 3.688 8.277 5.166 24 HG2 GLN 4 HG2 GLN 4 5.789 6.990 5.283 25 HG3 GLN 4 HG1 GLN 4 6.648 8.513 5.536 26 HE21 GLN 4 HE21 GLN 4 4.414 6.220 6.889 27 HE22 GLN 4 HE22 GLN 4 4.501 6.808 8.507 28 H GLU 5 HN GLU 5 3.844 11.054 3.257 29 HA GLU 5 HA GLU 5 1.115 10.427 2.819 30 HB2 GLU 5 HB2 GLU 5 1.904 12.517 3.855 31 HB3 GLU 5 HB1 GLU 5 2.615 13.002 2.328 32 HG2 GLU 5 HG2 GLU 5 0.396 13.083 1.318 33 HG3 GLU 5 HG1 GLU 5 -0.318 12.594 2.856 34 H GLU 6 HN GLU 6 3.761 11.266 0.767 35 HA GLU 6 HA GLU 6 2.318 11.591 -1.665 36 HB2 GLU 6 HB2 GLU 6 5.207 10.871 -1.234 37 HB3 GLU 6 HB1 GLU 6 4.521 11.620 -2.673 38 HG2 GLU 6 HG2 GLU 6 4.012 13.623 -1.403 39 HG3 GLU 6 HG1 GLU 6 4.617 12.864 0.065 40 H ILE 7 HN ILE 7 3.965 8.952 -0.050 41 HA ILE 7 HA ILE 7 3.799 7.046 -2.029 42 HB ILE 7 HB ILE 7 3.795 6.690 0.975 43 HG12 ILE 7 HG12 ILE 7 5.863 7.621 0.078 44 HG13 ILE 7 HG11 ILE 7 6.134 5.987 0.663 45 HG21 ILE 7 HG21 ILE 7 4.102 4.542 -1.127 46 HG22 ILE 7 HG22 ILE 7 2.754 4.718 -0.003 47 HG23 ILE 7 HG23 ILE 7 4.361 4.314 0.603 48 HD11 ILE 7 HD11 ILE 7 6.071 5.162 -1.637 49 HD12 ILE 7 HD12 ILE 7 7.315 6.392 -1.403 50 HD13 ILE 7 HD13 ILE 7 5.805 6.810 -2.214 51 H VAL 8 HN VAL 8 1.715 7.701 0.797 52 HA VAL 8 HA VAL 8 -0.366 5.905 0.398 53 HB VAL 8 HB VAL 8 -0.453 8.696 1.614 54 HG11 VAL 8 HG11 VAL 8 -2.519 7.995 2.716 55 HG12 VAL 8 HG12 VAL 8 -2.476 6.470 1.827 56 HG13 VAL 8 HG13 VAL 8 -2.705 7.988 0.961 57 HG21 VAL 8 HG21 VAL 8 -0.384 7.496 3.738 58 HG22 VAL 8 HG22 VAL 8 1.032 7.147 2.745 59 HG23 VAL 8 HG23 VAL 8 -0.274 5.966 2.867 60 H ALA 9 HN ALA 9 -0.101 9.242 -0.791 61 HA ALA 9 HA ALA 9 -2.480 9.413 -2.213 62 HB1 ALA 9 HB1 ALA 9 -1.000 11.317 -1.791 63 HB2 ALA 9 HB2 ALA 9 -1.390 11.174 -3.507 64 HB3 ALA 9 HB3 ALA 9 0.185 10.636 -2.907 65 H GLY 10 HN GLY 10 0.638 8.064 -3.167 66 HA2 GLY 10 HA2 GLY 10 -0.096 7.501 -5.863 67 HA3 GLY 10 HA1 GLY 10 1.286 6.823 -4.998 68 H LEU 11 HN LEU 11 0.016 5.643 -2.871 69 HA LEU 11 HA LEU 11 -0.599 3.090 -3.747 70 HB2 LEU 11 HB2 LEU 11 -1.436 4.466 -1.199 71 HB3 LEU 11 HB1 LEU 11 -1.674 2.761 -1.495 72 HG LEU 11 HG LEU 11 1.019 4.126 -1.378 73 HD11 LEU 11 HD11 LEU 11 -0.117 4.150 0.795 74 HD12 LEU 11 HD12 LEU 11 1.241 3.027 0.798 75 HD13 LEU 11 HD13 LEU 11 -0.409 2.416 0.661 76 HD21 LEU 11 HD21 LEU 11 0.251 1.206 -1.426 77 HD22 LEU 11 HD22 LEU 11 1.890 1.843 -1.274 78 HD23 LEU 11 HD23 LEU 11 0.976 2.100 -2.760 79 H ALA 12 HN ALA 12 -2.792 5.658 -2.778 80 HA ALA 12 HA ALA 12 -5.169 4.257 -3.105 81 HB1 ALA 12 HB1 ALA 12 -6.278 6.357 -3.159 82 HB2 ALA 12 HB2 ALA 12 -4.753 7.207 -3.466 83 HB3 ALA 12 HB3 ALA 12 -5.023 6.369 -1.922 84 H GLU 13 HN GLU 13 -3.210 5.964 -5.467 85 HA GLU 13 HA GLU 13 -5.067 6.112 -7.570 86 HB2 GLU 13 HB2 GLU 13 -2.057 5.861 -7.641 87 HB3 GLU 13 HB1 GLU 13 -3.050 6.191 -9.050 88 HG2 GLU 13 HG2 GLU 13 -2.889 7.941 -6.610 89 HG3 GLU 13 HG1 GLU 13 -1.979 8.192 -8.101 90 H ILE 14 HN ILE 14 -2.985 3.510 -6.491 91 HA ILE 14 HA ILE 14 -3.918 1.933 -8.713 92 HB ILE 14 HB ILE 14 -2.218 0.920 -6.385 93 HG12 ILE 14 HG12 ILE 14 -0.438 0.764 -8.297 94 HG13 ILE 14 HG11 ILE 14 -1.432 1.967 -9.102 95 HG21 ILE 14 HG21 ILE 14 -1.768 -0.998 -7.842 96 HG22 ILE 14 HG22 ILE 14 -2.893 -0.323 -9.034 97 HG23 ILE 14 HG23 ILE 14 -3.482 -0.824 -7.445 98 HD11 ILE 14 HD11 ILE 14 -1.098 3.473 -7.182 99 HD12 ILE 14 HD12 ILE 14 0.410 3.006 -7.971 100 HD13 ILE 14 HD13 ILE 14 -0.049 2.251 -6.450 101 H VAL 15 HN VAL 15 -4.527 2.202 -5.238 102 HA VAL 15 HA VAL 15 -6.212 -0.043 -5.049 103 HB VAL 15 HB VAL 15 -6.562 2.457 -3.348 104 HG11 VAL 15 HG11 VAL 15 -7.459 0.893 -1.669 105 HG12 VAL 15 HG12 VAL 15 -7.255 -0.438 -2.808 106 HG13 VAL 15 HG13 VAL 15 -8.402 0.855 -3.160 107 HG21 VAL 15 HG21 VAL 15 -5.103 1.386 -1.711 108 HG22 VAL 15 HG22 VAL 15 -4.244 1.701 -3.221 109 HG23 VAL 15 HG23 VAL 15 -4.795 0.067 -2.839 110 H ASN 16 HN ASN 16 -6.840 3.105 -6.431 111 HA ASN 16 HA ASN 16 -9.641 2.971 -6.556 112 HB2 ASN 16 HB2 ASN 16 -7.679 4.263 -8.438 113 HB3 ASN 16 HB1 ASN 16 -9.407 4.312 -8.708 114 HD21 ASN 16 HD21 ASN 16 -10.706 5.358 -7.055 115 HD22 ASN 16 HD22 ASN 16 -9.998 6.650 -6.177 116 H GLU 17 HN GLU 17 -7.224 1.801 -8.807 117 HA GLU 17 HA GLU 17 -9.296 0.792 -10.528 118 HB2 GLU 17 HB2 GLU 17 -7.503 -0.093 -11.955 119 HB3 GLU 17 HB1 GLU 17 -7.286 1.605 -11.588 120 HG2 GLU 17 HG2 GLU 17 -5.588 1.018 -9.927 121 HG3 GLU 17 HG1 GLU 17 -5.814 -0.688 -10.312 122 H ILE 18 HN ILE 18 -7.459 -0.458 -7.959 123 HA ILE 18 HA ILE 18 -7.957 -3.232 -8.565 124 HB ILE 18 HB ILE 18 -6.983 -1.896 -6.021 125 HG12 ILE 18 HG12 ILE 18 -5.445 -1.566 -7.847 126 HG13 ILE 18 HG11 ILE 18 -4.765 -2.725 -6.711 127 HG21 ILE 18 HG21 ILE 18 -6.973 -4.816 -6.756 128 HG22 ILE 18 HG22 ILE 18 -7.964 -4.055 -5.512 129 HG23 ILE 18 HG23 ILE 18 -6.208 -4.113 -5.331 130 HD11 ILE 18 HD11 ILE 18 -6.077 -3.372 -9.339 131 HD12 ILE 18 HD12 ILE 18 -5.421 -4.548 -8.201 132 HD13 ILE 18 HD13 ILE 18 -4.342 -3.402 -9.004 133 H ALA 19 HN ALA 19 -9.153 -0.946 -6.110 134 HA ALA 19 HA ALA 19 -11.481 -2.699 -5.744 135 HB1 ALA 19 HB1 ALA 19 -10.198 -0.865 -3.724 136 HB2 ALA 19 HB2 ALA 19 -10.010 -2.615 -3.787 137 HB3 ALA 19 HB3 ALA 19 -11.593 -1.914 -3.443 138 H GLY 20 HN GLY 20 -10.458 0.667 -5.386 139 HA2 GLY 20 HA2 GLY 20 -11.670 2.415 -6.569 140 HA3 GLY 20 HA1 GLY 20 -13.141 1.468 -6.339 141 H ILE 21 HN ILE 21 -10.951 3.701 -4.959 142 HA ILE 21 HA ILE 21 -12.729 3.981 -2.666 143 HB ILE 21 HB ILE 21 -10.542 4.593 -1.359 144 HG12 ILE 21 HG12 ILE 21 -8.626 3.080 -1.940 145 HG13 ILE 21 HG11 ILE 21 -9.450 2.661 -3.426 146 HG21 ILE 21 HG21 ILE 21 -10.377 2.316 -0.498 147 HG22 ILE 21 HG22 ILE 21 -11.363 1.750 -1.850 148 HG23 ILE 21 HG23 ILE 21 -12.040 2.874 -0.670 149 HD11 ILE 21 HD11 ILE 21 -9.237 5.003 -4.161 150 HD12 ILE 21 HD12 ILE 21 -7.702 4.215 -3.881 151 HD13 ILE 21 HD13 ILE 21 -8.326 5.365 -2.687 152 HA PRO 22 HA PRO 22 -12.042 8.311 -3.440 153 HB2 PRO 22 HB2 PRO 22 -12.284 8.951 -0.590 154 HB3 PRO 22 HB1 PRO 22 -13.423 9.312 -1.888 155 HG2 PRO 22 HG2 PRO 22 -13.936 7.504 0.081 156 HG3 PRO 22 HG1 PRO 22 -14.617 7.378 -1.551 157 HD2 PRO 22 HD2 PRO 22 -12.283 5.941 -0.349 158 HD3 PRO 22 HD1 PRO 22 -13.558 5.319 -1.423 159 H VAL 23 HN VAL 23 -10.122 9.369 -3.587 160 HA VAL 23 HA VAL 23 -7.832 8.203 -2.371 161 HB VAL 23 HB VAL 23 -6.516 9.986 -3.496 162 HG11 VAL 23 HG11 VAL 23 -7.039 7.916 -4.662 163 HG12 VAL 23 HG12 VAL 23 -7.032 9.282 -5.781 164 HG13 VAL 23 HG13 VAL 23 -8.563 8.605 -5.224 165 HG21 VAL 23 HG21 VAL 23 -8.129 11.783 -3.336 166 HG22 VAL 23 HG22 VAL 23 -9.233 10.912 -4.386 167 HG23 VAL 23 HG23 VAL 23 -7.698 11.522 -5.033 168 H GLU 24 HN GLU 24 -9.840 10.903 -1.556 169 HA GLU 24 HA GLU 24 -7.902 11.937 0.301 170 HB2 GLU 24 HB2 GLU 24 -9.636 13.508 0.982 171 HB3 GLU 24 HB1 GLU 24 -9.467 13.470 -0.764 172 HG2 GLU 24 HG2 GLU 24 -11.472 12.159 -0.970 173 HG3 GLU 24 HG1 GLU 24 -11.614 12.053 0.787 174 H ASP 25 HN ASP 25 -9.960 9.344 0.279 175 HA ASP 25 HA ASP 25 -10.550 9.461 3.101 176 HB2 ASP 25 HB2 ASP 25 -12.064 8.331 1.395 177 HB3 ASP 25 HB1 ASP 25 -10.858 7.063 1.302 178 H VAL 26 HN VAL 26 -8.375 7.940 0.882 179 HA VAL 26 HA VAL 26 -7.122 6.254 2.806 180 HB VAL 26 HB VAL 26 -6.034 7.160 0.116 181 HG11 VAL 26 HG11 VAL 26 -4.742 5.076 0.188 182 HG12 VAL 26 HG12 VAL 26 -5.389 4.733 1.792 183 HG13 VAL 26 HG13 VAL 26 -4.344 6.131 1.545 184 HG21 VAL 26 HG21 VAL 26 -6.989 5.091 -0.790 185 HG22 VAL 26 HG22 VAL 26 -8.239 6.167 -0.161 186 HG23 VAL 26 HG23 VAL 26 -7.738 4.759 0.774 187 H LYS 27 HN LYS 27 -6.687 7.609 4.435 188 HA LYS 27 HA LYS 27 -4.672 9.711 4.206 189 HB2 LYS 27 HB2 LYS 27 -6.356 8.750 6.532 190 HB3 LYS 27 HB1 LYS 27 -5.285 10.139 6.566 191 HG2 LYS 27 HG2 LYS 27 -6.672 11.310 4.981 192 HG3 LYS 27 HG1 LYS 27 -7.688 9.881 4.765 193 HD2 LYS 27 HD2 LYS 27 -8.383 9.996 7.090 194 HD3 LYS 27 HD1 LYS 27 -7.317 11.372 7.361 195 HE2 LYS 27 HE2 LYS 27 -9.620 12.105 7.090 196 HE3 LYS 27 HE1 LYS 27 -8.616 12.694 5.771 197 HZ1 LYS 27 HZ1 LYS 27 -10.450 10.334 5.592 198 HZ2 LYS 27 HZ2 LYS 27 -9.555 11.053 4.310 199 HZ3 LYS 27 HZ3 LYS 27 -10.770 11.903 5.058 200 H LEU 28 HN LEU 28 -3.497 9.398 6.791 201 HA LEU 28 HA LEU 28 -1.686 7.248 6.167 202 HB2 LEU 28 HB2 LEU 28 -1.643 9.490 8.127 203 HB3 LEU 28 HB1 LEU 28 -0.627 8.105 8.438 204 HG LEU 28 HG LEU 28 0.621 9.894 7.362 205 HD11 LEU 28 HD11 LEU 28 1.324 7.630 6.963 206 HD12 LEU 28 HD12 LEU 28 1.616 8.625 5.536 207 HD13 LEU 28 HD13 LEU 28 0.247 7.513 5.571 208 HD21 LEU 28 HD21 LEU 28 -1.157 10.963 6.075 209 HD22 LEU 28 HD22 LEU 28 -1.267 9.543 5.032 210 HD23 LEU 28 HD23 LEU 28 0.196 10.527 5.027 211 H ASP 29 HN ASP 29 -4.186 7.709 8.606 212 HA ASP 29 HA ASP 29 -3.413 5.113 9.710 213 HB2 ASP 29 HB2 ASP 29 -3.801 6.815 11.437 214 HB3 ASP 29 HB1 ASP 29 -5.387 7.168 10.771 215 H LYS 30 HN LYS 30 -3.950 4.310 7.711 216 HA LYS 30 HA LYS 30 -6.738 3.415 7.527 217 HB2 LYS 30 HB2 LYS 30 -4.993 4.467 5.305 218 HB3 LYS 30 HB1 LYS 30 -6.449 3.519 5.026 219 HG2 LYS 30 HG2 LYS 30 -6.428 5.980 6.663 220 HG3 LYS 30 HG1 LYS 30 -6.645 6.047 4.902 221 HD2 LYS 30 HD2 LYS 30 -8.606 4.661 5.046 222 HD3 LYS 30 HD1 LYS 30 -8.339 4.385 6.766 223 HE2 LYS 30 HE2 LYS 30 -8.866 6.619 7.293 224 HE3 LYS 30 HE1 LYS 30 -8.789 7.098 5.594 225 HZ1 LYS 30 HZ1 LYS 30 -10.779 5.217 6.740 226 HZ2 LYS 30 HZ2 LYS 30 -10.764 5.838 5.143 227 HZ3 LYS 30 HZ3 LYS 30 -11.061 6.861 6.439 228 H SER 31 HN SER 31 -6.914 1.329 7.026 229 HA SER 31 HA SER 31 -4.564 -0.086 6.089 230 HB2 SER 31 HB2 SER 31 -4.622 -0.678 8.324 231 HB3 SER 31 HB1 SER 31 -6.379 -0.809 8.407 232 HG SER 31 HG SER 31 -4.411 -2.574 7.476 233 H PHE 32 HN PHE 32 -5.201 -2.110 4.839 234 HA PHE 32 HA PHE 32 -6.997 -1.051 2.913 235 HB2 PHE 32 HB2 PHE 32 -5.412 -3.615 2.982 236 HB3 PHE 32 HB1 PHE 32 -6.330 -3.033 1.592 237 HD1 PHE 32 HD1 PHE 32 -3.428 -2.319 3.781 238 HD2 PHE 32 HD2 PHE 32 -5.452 -1.363 0.160 239 HE1 PHE 32 HE1 PHE 32 -1.486 -1.011 3.050 240 HE2 PHE 32 HE2 PHE 32 -3.502 -0.047 -0.579 241 HZ PHE 32 HZ PHE 32 -1.511 0.128 0.882 242 H THR 33 HN THR 33 -7.026 -3.841 5.081 243 HA THR 33 HA THR 33 -9.724 -4.164 4.178 244 HB THR 33 HB THR 33 -9.513 -6.400 5.200 245 HG1 THR 33 HG1 THR 33 -7.670 -6.982 6.069 246 HG21 THR 33 HG21 THR 33 -7.617 -5.724 2.948 247 HG22 THR 33 HG22 THR 33 -9.333 -6.094 2.790 248 HG23 THR 33 HG23 THR 33 -8.204 -7.346 3.313 249 H ASP 34 HN ASP 34 -8.841 -2.287 6.123 250 HA ASP 34 HA ASP 34 -10.550 -3.174 8.339 251 HB2 ASP 34 HB2 ASP 34 -8.341 -3.391 9.231 252 HB3 ASP 34 HB1 ASP 34 -7.878 -1.824 8.586 253 H ASP 35 HN ASP 35 -9.065 -0.443 6.644 254 HA ASP 35 HA ASP 35 -11.291 1.192 7.667 255 HB2 ASP 35 HB2 ASP 35 -8.618 1.620 8.094 256 HB3 ASP 35 HB1 ASP 35 -8.912 2.538 6.638 257 H LEU 36 HN LEU 36 -10.290 -0.379 4.932 258 HA LEU 36 HA LEU 36 -11.066 1.877 3.200 259 HB2 LEU 36 HB2 LEU 36 -9.387 -0.525 2.435 260 HB3 LEU 36 HB1 LEU 36 -9.843 0.786 1.372 261 HG LEU 36 HG LEU 36 -7.915 0.849 3.667 262 HD11 LEU 36 HD11 LEU 36 -7.032 0.024 1.575 263 HD12 LEU 36 HD12 LEU 36 -6.349 1.601 1.962 264 HD13 LEU 36 HD13 LEU 36 -7.614 1.465 0.741 265 HD21 LEU 36 HD21 LEU 36 -7.655 3.228 3.242 266 HD22 LEU 36 HD22 LEU 36 -9.278 2.781 3.801 267 HD23 LEU 36 HD23 LEU 36 -9.008 3.153 2.090 268 H ASP 37 HN ASP 37 -11.497 0.431 0.867 269 HA ASP 37 HA ASP 37 -14.198 -0.385 1.129 270 HB2 ASP 37 HB2 ASP 37 -13.242 0.494 -0.989 271 HB3 ASP 37 HB1 ASP 37 -12.282 -0.972 -1.150 272 H VAL 38 HN VAL 38 -11.244 -2.013 1.405 273 HA VAL 38 HA VAL 38 -10.624 -3.971 2.178 274 HB VAL 38 HB VAL 38 -13.537 -4.577 2.410 275 HG11 VAL 38 HG11 VAL 38 -12.151 -6.614 2.142 276 HG12 VAL 38 HG12 VAL 38 -12.838 -6.568 3.774 277 HG13 VAL 38 HG13 VAL 38 -11.144 -6.127 3.496 278 HG21 VAL 38 HG21 VAL 38 -11.496 -3.830 4.514 279 HG22 VAL 38 HG22 VAL 38 -13.165 -4.285 4.854 280 HG23 VAL 38 HG23 VAL 38 -12.820 -2.824 3.930 281 H ASP 39 HN ASP 39 -9.743 -4.212 0.104 282 HA ASP 39 HA ASP 39 -10.941 -6.491 -1.185 283 HB2 ASP 39 HB2 ASP 39 -9.259 -6.093 -2.888 284 HB3 ASP 39 HB1 ASP 39 -10.447 -4.797 -2.814 285 H SER 40 HN SER 40 -10.312 -8.227 -0.220 286 HA SER 40 HA SER 40 -7.977 -8.180 1.514 287 HB2 SER 40 HB2 SER 40 -9.068 -10.057 2.530 288 HB3 SER 40 HB1 SER 40 -10.294 -8.923 2.008 289 H LEU 41 HN LEU 41 -9.053 -10.210 -1.155 290 HA LEU 41 HA LEU 41 -6.401 -11.270 -1.191 291 HB2 LEU 41 HB2 LEU 41 -8.714 -12.494 -1.507 292 HB3 LEU 41 HB1 LEU 41 -8.469 -12.000 -3.179 293 HG LEU 41 HG LEU 41 -6.286 -13.013 -3.124 294 HD11 LEU 41 HD11 LEU 41 -7.212 -14.101 -0.457 295 HD12 LEU 41 HD12 LEU 41 -5.990 -12.888 -0.659 296 HD13 LEU 41 HD13 LEU 41 -5.690 -14.538 -1.246 297 HD21 LEU 41 HD21 LEU 41 -8.181 -14.233 -4.063 298 HD22 LEU 41 HD22 LEU 41 -8.581 -14.869 -2.467 299 HD23 LEU 41 HD23 LEU 41 -7.083 -15.355 -3.260 300 H SER 42 HN SER 42 -8.528 -9.225 -2.923 301 HA SER 42 HA SER 42 -7.157 -8.999 -5.336 302 HB2 SER 42 HB2 SER 42 -9.502 -8.355 -4.945 303 HB3 SER 42 HB1 SER 42 -8.954 -7.017 -3.941 304 HG SER 42 HG SER 42 -7.670 -6.723 -6.164 305 H MET 43 HN MET 43 -6.538 -7.579 -2.212 306 HA MET 43 HA MET 43 -5.150 -5.289 -2.943 307 HB2 MET 43 HB2 MET 43 -5.909 -5.929 -0.632 308 HB3 MET 43 HB1 MET 43 -4.496 -6.973 -0.545 309 HG2 MET 43 HG2 MET 43 -3.188 -4.874 -1.209 310 HG3 MET 43 HG1 MET 43 -4.611 -3.981 -0.693 311 HE1 MET 43 HE1 MET 43 -1.885 -6.616 1.894 312 HE2 MET 43 HE2 MET 43 -1.696 -6.297 0.172 313 HE3 MET 43 HE3 MET 43 -2.998 -7.335 0.748 314 H VAL 44 HN VAL 44 -4.174 -8.595 -3.136 315 HA VAL 44 HA VAL 44 -1.388 -8.344 -2.997 316 HB VAL 44 HB VAL 44 -2.962 -10.236 -4.782 317 HG11 VAL 44 HG11 VAL 44 -0.962 -11.650 -4.720 318 HG12 VAL 44 HG12 VAL 44 -0.110 -10.406 -3.803 319 HG13 VAL 44 HG13 VAL 44 -0.622 -10.084 -5.457 320 HG21 VAL 44 HG21 VAL 44 -2.663 -11.858 -2.978 321 HG22 VAL 44 HG22 VAL 44 -3.575 -10.444 -2.444 322 HG23 VAL 44 HG23 VAL 44 -1.874 -10.618 -2.002 323 H GLU 45 HN GLU 45 -3.636 -7.550 -5.532 324 HA GLU 45 HA GLU 45 -1.657 -7.214 -7.529 325 HB2 GLU 45 HB2 GLU 45 -4.510 -6.294 -7.382 326 HB3 GLU 45 HB1 GLU 45 -3.476 -6.086 -8.792 327 HG2 GLU 45 HG2 GLU 45 -4.288 -8.701 -7.545 328 HG3 GLU 45 HG1 GLU 45 -4.904 -8.015 -9.050 329 H VAL 46 HN VAL 46 -3.184 -5.014 -5.192 330 HA VAL 46 HA VAL 46 -1.858 -2.813 -6.427 331 HB VAL 46 HB VAL 46 -3.992 -2.315 -5.346 332 HG11 VAL 46 HG11 VAL 46 -4.297 -2.322 -2.947 333 HG12 VAL 46 HG12 VAL 46 -2.688 -3.020 -2.748 334 HG13 VAL 46 HG13 VAL 46 -3.951 -3.938 -3.574 335 HG21 VAL 46 HG21 VAL 46 -2.416 -0.486 -5.460 336 HG22 VAL 46 HG22 VAL 46 -1.709 -0.963 -3.919 337 HG23 VAL 46 HG23 VAL 46 -3.371 -0.369 -3.982 338 H VAL 47 HN VAL 47 -1.134 -4.972 -3.784 339 HA VAL 47 HA VAL 47 1.020 -3.336 -2.919 340 HB VAL 47 HB VAL 47 0.083 -4.999 -1.344 341 HG11 VAL 47 HG11 VAL 47 -0.352 -6.844 -2.838 342 HG12 VAL 47 HG12 VAL 47 0.657 -7.364 -1.486 343 HG13 VAL 47 HG13 VAL 47 1.377 -7.086 -3.076 344 HG21 VAL 47 HG21 VAL 47 2.302 -4.142 -0.923 345 HG22 VAL 47 HG22 VAL 47 3.007 -5.406 -1.927 346 HG23 VAL 47 HG23 VAL 47 2.198 -5.830 -0.418 347 H VAL 48 HN VAL 48 0.848 -6.000 -5.244 348 HA VAL 48 HA VAL 48 3.652 -5.980 -5.672 349 HB VAL 48 HB VAL 48 2.153 -7.919 -6.301 350 HG11 VAL 48 HG11 VAL 48 1.372 -6.213 -8.641 351 HG12 VAL 48 HG12 VAL 48 0.325 -6.768 -7.332 352 HG13 VAL 48 HG13 VAL 48 1.022 -7.932 -8.457 353 HG21 VAL 48 HG21 VAL 48 3.910 -6.875 -8.512 354 HG22 VAL 48 HG22 VAL 48 3.349 -8.539 -8.348 355 HG23 VAL 48 HG23 VAL 48 4.420 -7.846 -7.130 356 H ALA 49 HN ALA 49 0.988 -4.144 -6.943 357 HA ALA 49 HA ALA 49 2.444 -2.902 -9.046 358 HB1 ALA 49 HB1 ALA 49 -0.056 -1.980 -7.634 359 HB2 ALA 49 HB2 ALA 49 -0.002 -3.024 -9.053 360 HB3 ALA 49 HB3 ALA 49 0.562 -1.359 -9.163 361 H ALA 50 HN ALA 50 1.973 -2.276 -5.657 362 HA ALA 50 HA ALA 50 2.814 0.365 -5.610 363 HB1 ALA 50 HB1 ALA 50 3.215 0.025 -3.223 364 HB2 ALA 50 HB2 ALA 50 3.129 -1.728 -3.466 365 HB3 ALA 50 HB3 ALA 50 1.701 -0.731 -3.735 366 H GLU 51 HN GLU 51 4.606 -2.653 -5.554 367 HA GLU 51 HA GLU 51 7.159 -1.766 -4.973 368 HB2 GLU 51 HB2 GLU 51 6.402 -3.843 -7.022 369 HB3 GLU 51 HB1 GLU 51 7.944 -3.700 -6.190 370 HG2 GLU 51 HG2 GLU 51 6.702 -4.096 -4.056 371 HG3 GLU 51 HG1 GLU 51 5.290 -4.454 -5.030 372 H GLU 52 HN GLU 52 5.648 -2.127 -8.141 373 HA GLU 52 HA GLU 52 7.849 -1.056 -9.575 374 HB2 GLU 52 HB2 GLU 52 6.346 -1.193 -11.536 375 HB3 GLU 52 HB1 GLU 52 6.432 -2.690 -10.621 376 HG2 GLU 52 HG2 GLU 52 4.300 -2.122 -9.535 377 HG3 GLU 52 HG1 GLU 52 4.212 -0.661 -10.490 378 H ARG 53 HN ARG 53 5.052 0.402 -8.135 379 HA ARG 53 HA ARG 53 5.307 2.783 -9.784 380 HB2 ARG 53 HB2 ARG 53 3.416 2.291 -7.473 381 HB3 ARG 53 HB1 ARG 53 3.363 3.664 -8.568 382 HG2 ARG 53 HG2 ARG 53 2.937 0.781 -9.335 383 HG3 ARG 53 HG1 ARG 53 1.674 1.992 -9.120 384 HD2 ARG 53 HD2 ARG 53 2.382 3.192 -11.014 385 HD3 ARG 53 HD1 ARG 53 3.920 2.334 -11.078 386 HE ARG 53 HE ARG 53 1.988 0.403 -11.361 387 HH11 ARG 53 HH11 ARG 53 2.677 3.375 -13.190 388 HH12 ARG 53 HH12 ARG 53 2.325 2.614 -14.688 389 HH21 ARG 53 HH21 ARG 53 1.630 -0.547 -13.381 390 HH22 ARG 53 HH22 ARG 53 1.760 0.370 -14.826 391 H PHE 54 HN PHE 54 6.285 1.749 -6.587 392 HA PHE 54 HA PHE 54 6.983 4.530 -6.016 393 HB2 PHE 54 HB2 PHE 54 6.536 2.272 -4.080 394 HB3 PHE 54 HB1 PHE 54 7.037 3.902 -3.631 395 HD1 PHE 54 HD2 PHE 54 5.560 5.817 -4.421 396 HD2 PHE 54 HD1 PHE 54 4.320 1.769 -4.280 397 HE1 PHE 54 HE2 PHE 54 3.222 6.525 -4.469 398 HE2 PHE 54 HE1 PHE 54 1.989 2.472 -4.344 399 HZ PHE 54 HZ PHE 54 1.442 4.847 -4.435 400 H ASP 55 HN ASP 55 8.523 2.085 -7.329 401 HA ASP 55 HA ASP 55 10.731 1.534 -7.665 402 HB2 ASP 55 HB2 ASP 55 11.312 3.865 -5.787 403 HB3 ASP 55 HB1 ASP 55 12.537 2.972 -6.662 404 H VAL 56 HN VAL 56 9.189 0.266 -5.605 405 HA VAL 56 HA VAL 56 11.327 -0.333 -3.694 406 HB VAL 56 HB VAL 56 9.515 1.134 -2.742 407 HG11 VAL 56 HG11 VAL 56 7.361 0.177 -2.105 408 HG12 VAL 56 HG12 VAL 56 7.742 -1.248 -3.078 409 HG13 VAL 56 HG13 VAL 56 7.593 0.332 -3.847 410 HG21 VAL 56 HG21 VAL 56 9.228 -0.079 -0.612 411 HG22 VAL 56 HG22 VAL 56 10.887 -0.142 -1.204 412 HG23 VAL 56 HG23 VAL 56 9.833 -1.545 -1.382 413 H LYS 57 HN LYS 57 10.390 -2.482 -2.389 414 HA LYS 57 HA LYS 57 9.040 -4.292 -4.106 415 HB2 LYS 57 HB2 LYS 57 11.331 -4.616 -4.866 416 HB3 LYS 57 HB1 LYS 57 11.899 -4.736 -3.206 417 HG2 LYS 57 HG2 LYS 57 11.176 -6.879 -2.966 418 HG3 LYS 57 HG1 LYS 57 9.842 -6.677 -4.105 419 HD2 LYS 57 HD2 LYS 57 12.758 -6.823 -4.851 420 HD3 LYS 57 HD1 LYS 57 11.612 -8.163 -4.963 421 HE2 LYS 57 HE2 LYS 57 11.400 -5.522 -6.410 422 HE3 LYS 57 HE1 LYS 57 11.910 -7.049 -7.128 423 HZ1 LYS 57 HZ1 LYS 57 9.739 -7.956 -6.762 424 HZ2 LYS 57 HZ2 LYS 57 9.569 -6.481 -7.559 425 HZ3 LYS 57 HZ3 LYS 57 9.215 -6.591 -5.911 426 H ILE 58 HN ILE 58 7.926 -5.709 -2.909 427 HA ILE 58 HA ILE 58 8.418 -5.709 -0.019 428 HB ILE 58 HB ILE 58 5.637 -5.381 -1.222 429 HG12 ILE 58 HG12 ILE 58 7.300 -3.318 0.268 430 HG13 ILE 58 HG11 ILE 58 7.011 -3.308 -1.467 431 HG21 ILE 58 HG21 ILE 58 4.948 -5.014 1.117 432 HG22 ILE 58 HG22 ILE 58 6.607 -5.301 1.642 433 HG23 ILE 58 HG23 ILE 58 5.680 -6.606 0.899 434 HD11 ILE 58 HD11 ILE 58 5.583 -1.718 -0.319 435 HD12 ILE 58 HD12 ILE 58 4.918 -3.013 0.678 436 HD13 ILE 58 HD13 ILE 58 4.622 -2.997 -1.062 437 HA PRO 59 HA PRO 59 8.098 -10.118 -1.019 438 HB2 PRO 59 HB2 PRO 59 8.428 -10.214 1.930 439 HB3 PRO 59 HB1 PRO 59 9.344 -11.051 0.673 440 HG2 PRO 59 HG2 PRO 59 10.430 -9.017 1.971 441 HG3 PRO 59 HG1 PRO 59 10.672 -9.198 0.222 442 HD2 PRO 59 HD2 PRO 59 8.812 -7.382 1.701 443 HD3 PRO 59 HD1 PRO 59 9.838 -7.037 0.293 444 H ASP 60 HN ASP 60 6.461 -11.548 -0.784 445 HA ASP 60 HA ASP 60 3.874 -10.639 -0.255 446 HB2 ASP 60 HB2 ASP 60 4.821 -13.504 -0.366 447 HB3 ASP 60 HB1 ASP 60 3.151 -12.979 -0.476 448 H ASP 61 HN ASP 61 6.029 -12.517 1.807 449 HA ASP 61 HA ASP 61 3.998 -12.830 3.798 450 HB2 ASP 61 HB2 ASP 61 6.956 -13.405 3.919 451 HB3 ASP 61 HB1 ASP 61 5.883 -13.629 5.297 452 H ASP 62 HN ASP 62 6.292 -10.382 3.103 453 HA ASP 62 HA ASP 62 6.225 -9.281 5.785 454 HB2 ASP 62 HB2 ASP 62 8.074 -8.977 3.844 455 HB3 ASP 62 HB1 ASP 62 7.086 -7.563 3.490 456 H VAL 63 HN VAL 63 4.585 -8.922 2.779 457 HA VAL 63 HA VAL 63 3.058 -6.600 3.139 458 HB VAL 63 HB VAL 63 2.089 -9.224 1.944 459 HG11 VAL 63 HG11 VAL 63 1.147 -6.401 1.483 460 HG12 VAL 63 HG12 VAL 63 0.285 -7.665 2.361 461 HG13 VAL 63 HG13 VAL 63 0.572 -7.830 0.624 462 HG21 VAL 63 HG21 VAL 63 2.783 -8.328 -0.226 463 HG22 VAL 63 HG22 VAL 63 4.151 -8.521 0.870 464 HG23 VAL 63 HG23 VAL 63 3.471 -6.918 0.582 465 H LYS 64 HN LYS 64 2.194 -9.947 3.885 466 HA LYS 64 HA LYS 64 -0.161 -9.441 5.364 467 HB2 LYS 64 HB2 LYS 64 1.692 -11.819 5.560 468 HB3 LYS 64 HB1 LYS 64 0.021 -11.764 6.087 469 HG2 LYS 64 HG2 LYS 64 -0.713 -11.476 3.790 470 HG3 LYS 64 HG1 LYS 64 0.969 -11.472 3.249 471 HD2 LYS 64 HD2 LYS 64 1.239 -13.741 4.167 472 HD3 LYS 64 HD1 LYS 64 -0.462 -13.739 4.630 473 HE2 LYS 64 HE2 LYS 64 -0.162 -14.943 2.551 474 HE3 LYS 64 HE1 LYS 64 -1.084 -13.468 2.270 475 HZ1 LYS 64 HZ1 LYS 64 0.620 -13.889 0.592 476 HZ2 LYS 64 HZ2 LYS 64 1.823 -13.806 1.733 477 HZ3 LYS 64 HZ3 LYS 64 0.895 -12.414 1.363 478 H ASN 65 HN ASN 65 3.114 -9.172 6.164 479 HA ASN 65 HA ASN 65 2.901 -9.434 9.007 480 HB2 ASN 65 HB2 ASN 65 5.053 -9.935 8.257 481 HB3 ASN 65 HB1 ASN 65 5.071 -8.609 7.104 482 HD21 ASN 65 HD21 ASN 65 5.830 -6.644 7.739 483 HD22 ASN 65 HD22 ASN 65 6.487 -6.322 9.301 484 H LEU 66 HN LEU 66 2.543 -6.853 6.696 485 HA LEU 66 HA LEU 66 2.772 -4.760 8.685 486 HB2 LEU 66 HB2 LEU 66 1.862 -4.661 5.808 487 HB3 LEU 66 HB1 LEU 66 2.181 -3.274 6.827 488 HG LEU 66 HG LEU 66 4.240 -5.268 5.883 489 HD11 LEU 66 HD11 LEU 66 3.659 -2.442 5.088 490 HD12 LEU 66 HD12 LEU 66 3.411 -3.879 4.093 491 HD13 LEU 66 HD13 LEU 66 5.051 -3.379 4.534 492 HD21 LEU 66 HD21 LEU 66 5.870 -3.692 6.816 493 HD22 LEU 66 HD22 LEU 66 4.802 -4.325 8.069 494 HD23 LEU 66 HD23 LEU 66 4.549 -2.699 7.436 495 H LYS 67 HN LYS 67 0.786 -3.065 8.320 496 HA LYS 67 HA LYS 67 -1.680 -4.514 8.195 497 HB2 LYS 67 HB2 LYS 67 -2.517 -3.497 10.385 498 HB3 LYS 67 HB1 LYS 67 -1.390 -4.840 10.499 499 HG2 LYS 67 HG2 LYS 67 0.417 -3.289 10.936 500 HG3 LYS 67 HG1 LYS 67 -0.693 -1.940 10.768 501 HD2 LYS 67 HD2 LYS 67 -1.993 -2.765 12.682 502 HD3 LYS 67 HD1 LYS 67 -0.835 -4.086 12.882 503 HE2 LYS 67 HE2 LYS 67 -0.366 -2.229 14.425 504 HE3 LYS 67 HE1 LYS 67 0.955 -2.490 13.288 505 HZ1 LYS 67 HZ1 LYS 67 0.196 -0.594 11.993 506 HZ2 LYS 67 HZ2 LYS 67 0.403 -0.124 13.602 507 HZ3 LYS 67 HZ3 LYS 67 -1.143 -0.395 13.018 508 H THR 68 HN THR 68 -0.554 -1.154 9.012 509 HA THR 68 HA THR 68 -2.864 -0.293 7.436 510 HB THR 68 HB THR 68 -2.546 1.906 8.418 511 HG1 THR 68 HG1 THR 68 -0.374 0.855 9.949 512 HG21 THR 68 HG21 THR 68 -2.380 -0.267 10.515 513 HG22 THR 68 HG22 THR 68 -3.859 0.334 9.757 514 HG23 THR 68 HG23 THR 68 -2.918 1.384 10.808 515 H VAL 69 HN VAL 69 -2.303 1.961 6.388 516 HA VAL 69 HA VAL 69 -0.189 1.563 4.511 517 HB VAL 69 HB VAL 69 -0.815 3.839 3.627 518 HG11 VAL 69 HG11 VAL 69 -3.043 3.233 2.814 519 HG12 VAL 69 HG12 VAL 69 -3.140 1.959 4.030 520 HG13 VAL 69 HG13 VAL 69 -1.938 1.860 2.740 521 HG21 VAL 69 HG21 VAL 69 -1.542 4.857 5.715 522 HG22 VAL 69 HG22 VAL 69 -2.913 3.750 5.782 523 HG23 VAL 69 HG23 VAL 69 -2.814 4.942 4.497 524 H GLY 70 HN GLY 70 -0.476 2.881 7.609 525 HA2 GLY 70 HA2 GLY 70 1.646 4.780 7.446 526 HA3 GLY 70 HA1 GLY 70 0.919 4.129 8.917 527 H ASP 71 HN ASP 71 1.247 1.431 8.344 528 HA ASP 71 HA ASP 71 3.989 1.037 9.117 529 HB2 ASP 71 HB2 ASP 71 2.011 -1.073 8.208 530 HB3 ASP 71 HB1 ASP 71 3.481 -1.336 9.137 531 H ALA 72 HN ALA 72 2.113 0.799 6.248 532 HA ALA 72 HA ALA 72 3.893 -0.706 4.663 533 HB1 ALA 72 HB1 ALA 72 2.510 0.016 2.800 534 HB2 ALA 72 HB2 ALA 72 1.733 1.218 3.831 535 HB3 ALA 72 HB3 ALA 72 1.510 -0.499 4.160 536 H THR 73 HN THR 73 3.187 2.760 4.849 537 HA THR 73 HA THR 73 4.937 3.577 2.916 538 HB THR 73 HB THR 73 4.902 5.788 4.185 539 HG1 THR 73 HG1 THR 73 2.812 4.632 5.653 540 HG21 THR 73 HG21 THR 73 3.397 5.217 2.330 541 HG22 THR 73 HG22 THR 73 2.601 6.223 3.540 542 HG23 THR 73 HG23 THR 73 2.279 4.488 3.481 543 H LYS 74 HN LYS 74 5.516 3.054 6.353 544 HA LYS 74 HA LYS 74 8.099 4.103 6.532 545 HB2 LYS 74 HB2 LYS 74 6.841 1.809 8.041 546 HB3 LYS 74 HB1 LYS 74 8.386 2.531 8.454 547 HG2 LYS 74 HG2 LYS 74 5.741 3.972 8.431 548 HG3 LYS 74 HG1 LYS 74 6.553 3.341 9.862 549 HD2 LYS 74 HD2 LYS 74 7.657 5.452 8.001 550 HD3 LYS 74 HD1 LYS 74 6.922 5.757 9.577 551 HE2 LYS 74 HE2 LYS 74 8.685 4.359 10.617 552 HE3 LYS 74 HE1 LYS 74 9.432 4.172 9.035 553 HZ1 LYS 74 HZ1 LYS 74 9.076 6.699 10.541 554 HZ2 LYS 74 HZ2 LYS 74 9.692 6.627 8.974 555 HZ3 LYS 74 HZ3 LYS 74 10.525 5.891 10.251 556 H TYR 75 HN TYR 75 7.035 0.797 5.847 557 HA TYR 75 HA TYR 75 9.621 -0.247 5.450 558 HB2 TYR 75 HB2 TYR 75 7.693 -1.702 5.934 559 HB3 TYR 75 HB1 TYR 75 6.961 -1.261 4.395 560 HD1 TYR 75 HD1 TYR 75 9.892 -2.963 5.911 561 HD2 TYR 75 HD2 TYR 75 7.533 -2.385 2.426 562 HE1 TYR 75 HE1 TYR 75 11.011 -4.871 4.840 563 HE2 TYR 75 HE2 TYR 75 8.651 -4.276 1.352 564 HH TYR 75 HH TYR 75 10.717 -5.563 1.533 565 H ILE 76 HN ILE 76 7.238 1.076 3.260 566 HA ILE 76 HA ILE 76 8.517 0.536 0.840 567 HB ILE 76 HB ILE 76 6.613 2.761 1.581 568 HG12 ILE 76 HG12 ILE 76 6.215 0.224 -0.014 569 HG13 ILE 76 HG11 ILE 76 5.822 0.414 1.693 570 HG21 ILE 76 HG21 ILE 76 7.951 3.489 -0.348 571 HG22 ILE 76 HG22 ILE 76 6.292 3.139 -0.832 572 HG23 ILE 76 HG23 ILE 76 7.576 1.981 -1.186 573 HD11 ILE 76 HD11 ILE 76 3.858 0.628 0.297 574 HD12 ILE 76 HD12 ILE 76 4.640 1.965 -0.572 575 HD13 ILE 76 HD13 ILE 76 4.250 2.134 1.140 576 H LEU 77 HN LEU 77 8.606 3.600 2.712 577 HA LEU 77 HA LEU 77 10.552 4.624 0.963 578 HB2 LEU 77 HB2 LEU 77 10.865 6.485 2.592 579 HB3 LEU 77 HB1 LEU 77 9.228 6.250 2.041 580 HG LEU 77 HG LEU 77 8.832 5.058 4.269 581 HD11 LEU 77 HD11 LEU 77 11.394 6.467 4.964 582 HD12 LEU 77 HD12 LEU 77 11.140 4.722 4.920 583 HD13 LEU 77 HD13 LEU 77 10.284 5.709 6.107 584 HD21 LEU 77 HD21 LEU 77 9.458 7.997 4.203 585 HD22 LEU 77 HD22 LEU 77 8.448 7.176 5.399 586 HD23 LEU 77 HD23 LEU 77 7.948 7.231 3.714 587 H ASP 78 HN ASP 78 10.793 2.537 3.493 588 HA ASP 78 HA ASP 78 13.547 2.971 4.191 589 HB2 ASP 78 HB2 ASP 78 12.018 1.860 5.732 590 HB3 ASP 78 HB1 ASP 78 11.761 0.561 4.581 591 H HIS 79 HN HIS 79 11.863 0.794 1.982 592 HA HIS 79 HA HIS 79 14.464 -0.120 0.968 593 HB2 HIS 79 HB2 HIS 79 11.771 -1.409 0.869 594 HB3 HIS 79 HB1 HIS 79 13.030 -1.882 -0.263 595 HD1 HIS 79 HD1 HIS 79 14.921 -3.297 0.612 596 HD2 HIS 79 HD2 HIS 79 12.320 -2.044 3.580 597 HE1 HIS 79 HE1 HIS 79 15.499 -4.653 2.623 598 HE2 HIS 79 HE2 HIS 79 13.678 -4.151 4.225 599 H GLN 80 HN GLN 80 12.553 2.288 0.127 600 HA GLN 80 HA GLN 80 12.106 1.750 -2.638 601 HB2 GLN 80 HB2 GLN 80 11.450 4.084 -2.847 602 HB3 GLN 80 HB1 GLN 80 10.722 3.371 -1.415 603 HG2 GLN 80 HG2 GLN 80 12.421 4.425 -0.023 604 HG3 GLN 80 HG1 GLN 80 13.157 5.127 -1.458 605 HE21 GLN 80 HE21 GLN 80 9.696 4.889 -0.995 606 HE22 GLN 80 HE22 GLN 80 9.457 6.598 -0.760 607 H ALA 81 HN ALA 81 13.224 2.204 -4.382 608 HA ALA 81 HA ALA 81 14.865 2.675 -5.791 609 HB1 ALA 81 HB1 ALA 81 15.888 4.879 -5.665 610 HB2 ALA 81 HB2 ALA 81 15.357 5.047 -3.993 611 HB3 ALA 81 HB3 ALA 81 14.166 4.977 -5.294 612 H28 SXO 101 H28B SXO 101 -7.769 -11.269 2.178 613 H28A SXO 101 H28A SXO 101 -6.884 -12.571 1.478 614 H30 SXO 101 H30A SXO 101 -9.665 -12.761 3.895 615 H30A SXO 101 H30C SXO 101 -8.619 -12.936 5.310 616 H30B SXO 101 H30B SXO 101 -8.630 -11.419 4.415 617 H31 SXO 101 H31A SXO 101 -8.584 -14.780 2.894 618 H31A SXO 101 H31B SXO 101 -7.522 -14.952 4.301 619 H31B SXO 101 H31C SXO 101 -6.835 -14.799 2.672 620 H32 SXO 101 H32A SXO 101 -6.293 -11.458 4.337 621 HO33 SXO 101 H33A SXO 101 -5.242 -13.532 5.422 622 HN36 SXO 101 H36A SXO 101 -5.542 -11.692 1.930 623 H37 SXO 101 H37A SXO 101 -2.793 -12.680 2.054 624 H37A SXO 101 H37B SXO 101 -3.819 -13.245 0.732 625 H38 SXO 101 H38B SXO 101 -4.117 -10.884 0.045 626 H38A SXO 101 H38A SXO 101 -2.435 -11.420 0.015 627 HN41 SXO 101 H41A SXO 101 -4.529 -10.171 2.596 628 H42 SXO 101 H42A SXO 101 -2.582 -8.673 3.988 629 H42A SXO 101 H42B SXO 101 -3.513 -7.622 2.933 630 H43 SXO 101 H43B SXO 101 -5.576 -8.467 3.914 631 H43A SXO 101 H43A SXO 101 -4.618 -9.249 5.177 632 H2 SXO 101 H2A SXO 101 -1.133 -6.112 6.462 633 H2A SXO 101 H2B SXO 101 -2.547 -5.049 6.327 634 H3 SXO 101 H3B SXO 101 -1.149 -6.468 4.067 635 H3A SXO 101 H3A SXO 101 -2.527 -5.383 3.907 636 H4 SXO 101 H4A SXO 101 0.228 -4.636 4.911 637 H4A SXO 101 H4B SXO 101 -1.148 -3.536 4.759 638 H5 SXO 101 H5B SXO 101 0.114 -5.104 2.511 639 H5A SXO 101 H5A SXO 101 -1.242 -3.994 2.362 640 H6 SXO 101 H6A SXO 101 1.582 -3.296 3.165 641 H6A SXO 101 H6B SXO 101 0.235 -2.152 3.094 642 H7 SXO 101 H7A SXO 101 -0.040 -2.639 0.697 643 H7A SXO 101 H7B SXO 101 1.307 -3.785 0.780 644 H8 SXO 101 H8C SXO 101 2.026 -1.634 -0.113 645 H8A SXO 101 H8A SXO 101 2.798 -1.965 1.437 646 H8B SXO 101 H8B SXO 101 1.453 -0.831 1.349 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 12.104 8.813 -5.002 2 H2 ALA 1 HT2 ALA 1 13.552 8.250 -4.297 3 H3 ALA 1 HT3 ALA 1 13.206 9.906 -4.338 4 HA ALA 1 HA ALA 1 11.685 7.856 -2.859 5 HB1 ALA 1 HB1 ALA 1 13.456 10.078 -1.859 6 HB2 ALA 1 HB2 ALA 1 13.864 8.364 -1.867 7 HB3 ALA 1 HB3 ALA 1 12.534 8.948 -0.867 8 H ALA 2 HN ALA 2 9.870 8.587 -1.817 9 HA ALA 2 HA ALA 2 9.082 11.381 -2.184 10 HB1 ALA 2 HB1 ALA 2 7.314 8.988 -2.643 11 HB2 ALA 2 HB2 ALA 2 7.960 10.042 -3.915 12 HB3 ALA 2 HB3 ALA 2 6.840 10.685 -2.702 13 H THR 3 HN THR 3 7.324 11.942 -0.625 14 HA THR 3 HA THR 3 7.929 10.528 1.845 15 HB THR 3 HB THR 3 8.075 13.000 1.950 16 HG1 THR 3 HG1 THR 3 7.760 12.569 3.824 17 HG21 THR 3 HG21 THR 3 5.977 14.343 1.983 18 HG22 THR 3 HG22 THR 3 5.134 12.947 1.276 19 HG23 THR 3 HG23 THR 3 6.443 13.722 0.414 20 H GLN 4 HN GLN 4 6.054 10.653 3.491 21 HA GLN 4 HA GLN 4 4.445 8.481 2.779 22 HB2 GLN 4 HB2 GLN 4 4.050 10.468 5.025 23 HB3 GLN 4 HB1 GLN 4 3.185 8.946 4.863 24 HG2 GLN 4 HG2 GLN 4 5.360 7.766 4.983 25 HG3 GLN 4 HG1 GLN 4 6.132 9.316 5.302 26 HE21 GLN 4 HE21 GLN 4 3.943 10.295 7.020 27 HE22 GLN 4 HE22 GLN 4 4.050 9.376 8.463 28 H GLU 5 HN GLU 5 4.023 11.893 2.489 29 HA GLU 5 HA GLU 5 1.187 11.757 2.111 30 HB2 GLU 5 HB2 GLU 5 3.156 13.908 1.343 31 HB3 GLU 5 HB1 GLU 5 1.434 14.034 1.036 32 HG2 GLU 5 HG2 GLU 5 1.721 15.208 3.037 33 HG3 GLU 5 HG1 GLU 5 1.159 13.585 3.477 34 H GLU 6 HN GLU 6 3.903 11.734 0.009 35 HA GLU 6 HA GLU 6 2.359 11.696 -2.415 36 HB2 GLU 6 HB2 GLU 6 5.278 11.238 -1.890 37 HB3 GLU 6 HB1 GLU 6 4.561 11.631 -3.459 38 HG2 GLU 6 HG2 GLU 6 3.973 13.831 -2.659 39 HG3 GLU 6 HG1 GLU 6 4.519 13.422 -1.036 40 H ILE 7 HN ILE 7 3.817 9.510 -0.174 41 HA ILE 7 HA ILE 7 3.988 7.366 -1.898 42 HB ILE 7 HB ILE 7 4.015 7.357 1.136 43 HG12 ILE 7 HG12 ILE 7 6.013 8.291 0.044 44 HG13 ILE 7 HG11 ILE 7 6.392 6.778 0.853 45 HG21 ILE 7 HG21 ILE 7 4.733 5.006 1.047 46 HG22 ILE 7 HG22 ILE 7 4.408 4.985 -0.686 47 HG23 ILE 7 HG23 ILE 7 3.084 5.222 0.457 48 HD11 ILE 7 HD11 ILE 7 6.348 5.628 -1.325 49 HD12 ILE 7 HD12 ILE 7 7.528 6.929 -1.293 50 HD13 ILE 7 HD13 ILE 7 5.986 7.159 -2.115 51 H VAL 8 HN VAL 8 1.704 8.239 0.749 52 HA VAL 8 HA VAL 8 -0.237 6.261 0.546 53 HB VAL 8 HB VAL 8 -0.526 9.210 1.264 54 HG11 VAL 8 HG11 VAL 8 -2.717 8.660 2.201 55 HG12 VAL 8 HG12 VAL 8 -2.577 7.019 1.573 56 HG13 VAL 8 HG13 VAL 8 -2.685 8.384 0.460 57 HG21 VAL 8 HG21 VAL 8 -0.740 8.356 3.545 58 HG22 VAL 8 HG22 VAL 8 0.789 7.874 2.813 59 HG23 VAL 8 HG23 VAL 8 -0.530 6.711 2.945 60 H ALA 9 HN ALA 9 0.003 9.316 -1.200 61 HA ALA 9 HA ALA 9 -2.285 9.226 -2.734 62 HB1 ALA 9 HB1 ALA 9 -1.130 10.722 -4.268 63 HB2 ALA 9 HB2 ALA 9 0.417 10.292 -3.533 64 HB3 ALA 9 HB3 ALA 9 -0.794 11.162 -2.593 65 H GLY 10 HN GLY 10 0.907 7.824 -3.433 66 HA2 GLY 10 HA2 GLY 10 0.283 6.908 -6.046 67 HA3 GLY 10 HA1 GLY 10 1.624 6.334 -5.056 68 H LEU 11 HN LEU 11 0.245 5.407 -2.879 69 HA LEU 11 HA LEU 11 -0.379 2.774 -3.549 70 HB2 LEU 11 HB2 LEU 11 -1.147 4.403 -1.139 71 HB3 LEU 11 HB1 LEU 11 -1.407 2.681 -1.263 72 HG LEU 11 HG LEU 11 1.297 4.015 -1.351 73 HD11 LEU 11 HD11 LEU 11 0.225 4.252 0.845 74 HD12 LEU 11 HD12 LEU 11 1.575 3.119 0.909 75 HD13 LEU 11 HD13 LEU 11 -0.081 2.516 0.883 76 HD21 LEU 11 HD21 LEU 11 1.192 1.892 -2.552 77 HD22 LEU 11 HD22 LEU 11 0.483 1.117 -1.135 78 HD23 LEU 11 HD23 LEU 11 2.132 1.737 -1.070 79 H ALA 12 HN ALA 12 -2.492 5.484 -2.822 80 HA ALA 12 HA ALA 12 -4.854 3.954 -3.106 81 HB1 ALA 12 HB1 ALA 12 -4.576 6.939 -3.113 82 HB2 ALA 12 HB2 ALA 12 -4.766 5.905 -1.680 83 HB3 ALA 12 HB3 ALA 12 -6.046 5.981 -2.895 84 H GLU 13 HN GLU 13 -2.862 5.670 -5.382 85 HA GLU 13 HA GLU 13 -4.825 5.958 -7.386 86 HB2 GLU 13 HB2 GLU 13 -1.838 5.623 -7.655 87 HB3 GLU 13 HB1 GLU 13 -2.901 5.982 -9.003 88 HG2 GLU 13 HG2 GLU 13 -3.570 8.069 -7.908 89 HG3 GLU 13 HG1 GLU 13 -2.463 7.711 -6.582 90 H ILE 14 HN ILE 14 -2.723 3.274 -6.581 91 HA ILE 14 HA ILE 14 -3.854 1.727 -8.713 92 HB ILE 14 HB ILE 14 -2.195 0.720 -6.365 93 HG12 ILE 14 HG12 ILE 14 -0.555 0.260 -8.410 94 HG13 ILE 14 HG11 ILE 14 -1.448 1.585 -9.136 95 HG21 ILE 14 HG21 ILE 14 -3.058 -0.713 -8.856 96 HG22 ILE 14 HG22 ILE 14 -3.625 -1.014 -7.210 97 HG23 ILE 14 HG23 ILE 14 -1.944 -1.356 -7.640 98 HD11 ILE 14 HD11 ILE 14 0.166 1.662 -6.598 99 HD12 ILE 14 HD12 ILE 14 -0.808 3.000 -7.208 100 HD13 ILE 14 HD13 ILE 14 0.569 2.407 -8.141 101 H VAL 15 HN VAL 15 -4.292 1.809 -5.166 102 HA VAL 15 HA VAL 15 -6.175 -0.258 -5.173 103 HB VAL 15 HB VAL 15 -5.981 1.934 -3.078 104 HG11 VAL 15 HG11 VAL 15 -7.069 0.296 -1.569 105 HG12 VAL 15 HG12 VAL 15 -7.252 -0.816 -2.928 106 HG13 VAL 15 HG13 VAL 15 -8.111 0.722 -2.927 107 HG21 VAL 15 HG21 VAL 15 -4.767 -0.824 -3.136 108 HG22 VAL 15 HG22 VAL 15 -4.687 0.304 -1.791 109 HG23 VAL 15 HG23 VAL 15 -3.893 0.697 -3.321 110 H ASN 16 HN ASN 16 -6.596 3.081 -6.012 111 HA ASN 16 HA ASN 16 -9.442 3.118 -5.847 112 HB2 ASN 16 HB2 ASN 16 -8.131 5.210 -5.931 113 HB3 ASN 16 HB1 ASN 16 -7.601 4.816 -7.560 114 HD21 ASN 16 HD21 ASN 16 -10.226 5.955 -5.592 115 HD22 ASN 16 HD22 ASN 16 -11.253 6.444 -6.891 116 H GLU 17 HN GLU 17 -7.147 2.166 -8.313 117 HA GLU 17 HA GLU 17 -9.125 1.788 -10.339 118 HB2 GLU 17 HB2 GLU 17 -6.760 2.228 -10.885 119 HB3 GLU 17 HB1 GLU 17 -6.291 0.736 -10.094 120 HG2 GLU 17 HG2 GLU 17 -7.433 -0.562 -11.774 121 HG3 GLU 17 HG1 GLU 17 -8.055 0.903 -12.531 122 H ILE 18 HN ILE 18 -7.514 -0.161 -7.955 123 HA ILE 18 HA ILE 18 -8.577 -2.675 -8.782 124 HB ILE 18 HB ILE 18 -7.250 -1.777 -6.218 125 HG12 ILE 18 HG12 ILE 18 -5.769 -1.621 -8.103 126 HG13 ILE 18 HG11 ILE 18 -5.293 -3.008 -7.133 127 HG21 ILE 18 HG21 ILE 18 -8.620 -3.739 -5.751 128 HG22 ILE 18 HG22 ILE 18 -6.902 -4.096 -5.632 129 HG23 ILE 18 HG23 ILE 18 -7.815 -4.617 -7.057 130 HD11 ILE 18 HD11 ILE 18 -6.878 -3.105 -9.693 131 HD12 ILE 18 HD12 ILE 18 -6.402 -4.497 -8.720 132 HD13 ILE 18 HD13 ILE 18 -5.171 -3.506 -9.503 133 H ALA 19 HN ALA 19 -9.355 -0.554 -5.987 134 HA ALA 19 HA ALA 19 -11.787 -2.163 -5.585 135 HB1 ALA 19 HB1 ALA 19 -10.161 -2.341 -3.783 136 HB2 ALA 19 HB2 ALA 19 -11.671 -1.604 -3.241 137 HB3 ALA 19 HB3 ALA 19 -10.251 -0.600 -3.534 138 H GLY 20 HN GLY 20 -10.554 1.108 -5.767 139 HA2 GLY 20 HA2 GLY 20 -11.887 2.848 -6.698 140 HA3 GLY 20 HA1 GLY 20 -13.321 1.966 -6.219 141 H ILE 21 HN ILE 21 -10.689 2.592 -3.997 142 HA ILE 21 HA ILE 21 -12.508 4.153 -2.391 143 HB ILE 21 HB ILE 21 -10.418 4.389 -0.862 144 HG12 ILE 21 HG12 ILE 21 -8.961 2.314 -0.944 145 HG13 ILE 21 HG11 ILE 21 -9.608 2.012 -2.546 146 HG21 ILE 21 HG21 ILE 21 -11.972 1.848 -1.106 147 HG22 ILE 21 HG22 ILE 21 -12.339 3.300 -0.152 148 HG23 ILE 21 HG23 ILE 21 -10.962 2.293 0.276 149 HD11 ILE 21 HD11 ILE 21 -8.637 4.118 -3.323 150 HD12 ILE 21 HD12 ILE 21 -7.414 3.043 -2.644 151 HD13 ILE 21 HD13 ILE 21 -8.000 4.416 -1.707 152 HA PRO 22 HA PRO 22 -11.292 8.149 -3.694 153 HB2 PRO 22 HB2 PRO 22 -11.844 9.039 -0.952 154 HB3 PRO 22 HB1 PRO 22 -12.655 9.487 -2.451 155 HG2 PRO 22 HG2 PRO 22 -13.788 7.912 -0.545 156 HG3 PRO 22 HG1 PRO 22 -14.197 7.823 -2.266 157 HD2 PRO 22 HD2 PRO 22 -12.551 5.969 -0.622 158 HD3 PRO 22 HD1 PRO 22 -13.558 5.674 -2.045 159 H VAL 23 HN VAL 23 -9.431 9.329 -3.558 160 HA VAL 23 HA VAL 23 -7.376 8.291 -1.851 161 HB VAL 23 HB VAL 23 -5.838 9.913 -2.895 162 HG11 VAL 23 HG11 VAL 23 -5.968 9.067 -5.199 163 HG12 VAL 23 HG12 VAL 23 -7.601 8.481 -4.871 164 HG13 VAL 23 HG13 VAL 23 -6.230 7.794 -4.003 165 HG21 VAL 23 HG21 VAL 23 -7.377 11.792 -3.164 166 HG22 VAL 23 HG22 VAL 23 -8.278 10.893 -4.384 167 HG23 VAL 23 HG23 VAL 23 -6.612 11.386 -4.700 168 H GLU 24 HN GLU 24 -9.742 10.503 -1.430 169 HA GLU 24 HA GLU 24 -8.420 12.167 0.517 170 HB2 GLU 24 HB2 GLU 24 -11.408 11.801 0.287 171 HB3 GLU 24 HB1 GLU 24 -10.530 13.184 0.901 172 HG2 GLU 24 HG2 GLU 24 -11.273 13.971 -1.106 173 HG3 GLU 24 HG1 GLU 24 -9.679 13.369 -1.558 174 H ASP 25 HN ASP 25 -9.918 9.112 0.388 175 HA ASP 25 HA ASP 25 -10.767 9.033 3.158 176 HB2 ASP 25 HB2 ASP 25 -11.930 7.727 1.253 177 HB3 ASP 25 HB1 ASP 25 -10.513 6.699 1.271 178 H VAL 26 HN VAL 26 -8.209 7.912 1.139 179 HA VAL 26 HA VAL 26 -7.046 6.148 3.035 180 HB VAL 26 HB VAL 26 -5.793 7.270 0.516 181 HG11 VAL 26 HG11 VAL 26 -4.174 6.233 2.022 182 HG12 VAL 26 HG12 VAL 26 -4.411 5.239 0.585 183 HG13 VAL 26 HG13 VAL 26 -5.169 4.782 2.112 184 HG21 VAL 26 HG21 VAL 26 -7.921 6.198 0.026 185 HG22 VAL 26 HG22 VAL 26 -7.415 4.762 0.917 186 HG23 VAL 26 HG23 VAL 26 -6.579 5.221 -0.568 187 H LYS 27 HN LYS 27 -6.812 7.387 4.781 188 HA LYS 27 HA LYS 27 -4.565 9.262 4.834 189 HB2 LYS 27 HB2 LYS 27 -6.823 8.765 6.800 190 HB3 LYS 27 HB1 LYS 27 -5.495 9.891 7.080 191 HG2 LYS 27 HG2 LYS 27 -6.173 11.264 5.250 192 HG3 LYS 27 HG1 LYS 27 -7.365 10.076 4.732 193 HD2 LYS 27 HD2 LYS 27 -8.642 10.463 6.765 194 HD3 LYS 27 HD1 LYS 27 -7.423 11.615 7.324 195 HE2 LYS 27 HE2 LYS 27 -7.882 13.079 5.470 196 HE3 LYS 27 HE1 LYS 27 -8.984 11.899 4.760 197 HZ1 LYS 27 HZ1 LYS 27 -9.399 13.198 7.396 198 HZ2 LYS 27 HZ2 LYS 27 -10.478 12.182 6.558 199 HZ3 LYS 27 HZ3 LYS 27 -10.141 13.710 5.968 200 H LEU 28 HN LEU 28 -3.284 8.945 7.016 201 HA LEU 28 HA LEU 28 -1.815 6.664 6.566 202 HB2 LEU 28 HB2 LEU 28 -1.840 8.491 8.930 203 HB3 LEU 28 HB1 LEU 28 -0.771 7.110 8.850 204 HG LEU 28 HG LEU 28 0.422 9.098 8.237 205 HD11 LEU 28 HD11 LEU 28 -0.086 7.375 5.829 206 HD12 LEU 28 HD12 LEU 28 1.077 7.072 7.119 207 HD13 LEU 28 HD13 LEU 28 1.287 8.460 6.050 208 HD21 LEU 28 HD21 LEU 28 -1.620 9.460 6.047 209 HD22 LEU 28 HD22 LEU 28 -0.155 10.418 6.256 210 HD23 LEU 28 HD23 LEU 28 -1.430 10.478 7.474 211 H ASP 29 HN ASP 29 -4.359 6.933 9.011 212 HA ASP 29 HA ASP 29 -3.553 4.324 9.963 213 HB2 ASP 29 HB2 ASP 29 -5.352 6.406 11.073 214 HB3 ASP 29 HB1 ASP 29 -5.605 4.731 11.564 215 H LYS 30 HN LYS 30 -4.989 4.856 7.323 216 HA LYS 30 HA LYS 30 -7.306 3.189 7.761 217 HB2 LYS 30 HB2 LYS 30 -6.143 4.081 5.122 218 HB3 LYS 30 HB1 LYS 30 -7.692 3.298 5.356 219 HG2 LYS 30 HG2 LYS 30 -6.866 6.098 5.952 220 HG3 LYS 30 HG1 LYS 30 -8.264 5.506 5.060 221 HD2 LYS 30 HD2 LYS 30 -9.034 4.557 7.320 222 HD3 LYS 30 HD1 LYS 30 -7.821 5.631 8.020 223 HE2 LYS 30 HE2 LYS 30 -9.827 6.857 8.059 224 HE3 LYS 30 HE1 LYS 30 -8.874 7.450 6.686 225 HZ1 LYS 30 HZ1 LYS 30 -11.076 5.468 6.472 226 HZ2 LYS 30 HZ2 LYS 30 -10.280 6.152 5.160 227 HZ3 LYS 30 HZ3 LYS 30 -11.254 7.102 6.157 228 H SER 31 HN SER 31 -7.314 1.123 7.723 229 HA SER 31 HA SER 31 -4.979 -0.370 6.804 230 HB2 SER 31 HB2 SER 31 -5.550 -1.013 8.975 231 HB3 SER 31 HB1 SER 31 -7.286 -0.964 8.645 232 HG SER 31 HG SER 31 -5.931 -3.102 8.729 233 H PHE 32 HN PHE 32 -5.137 -1.991 5.327 234 HA PHE 32 HA PHE 32 -6.987 -1.537 3.139 235 HB2 PHE 32 HB2 PHE 32 -4.901 -3.679 3.563 236 HB3 PHE 32 HB1 PHE 32 -5.779 -3.400 2.070 237 HD1 PHE 32 HD2 PHE 32 -5.266 -1.471 0.676 238 HD2 PHE 32 HD1 PHE 32 -3.107 -2.240 4.259 239 HE1 PHE 32 HE2 PHE 32 -3.499 0.068 -0.065 240 HE2 PHE 32 HE1 PHE 32 -1.336 -0.702 3.527 241 HZ PHE 32 HZ PHE 32 -1.529 0.452 1.359 242 H THR 33 HN THR 33 -8.055 -2.613 5.719 243 HA THR 33 HA THR 33 -10.104 -4.037 4.544 244 HB THR 33 HB THR 33 -8.629 -5.919 4.434 245 HG1 THR 33 HG1 THR 33 -9.793 -7.447 5.616 246 HG21 THR 33 HG21 THR 33 -7.615 -6.995 6.411 247 HG22 THR 33 HG22 THR 33 -8.231 -5.686 7.424 248 HG23 THR 33 HG23 THR 33 -7.018 -5.348 6.190 249 H ASP 34 HN ASP 34 -8.393 -3.599 7.654 250 HA ASP 34 HA ASP 34 -10.653 -3.859 9.312 251 HB2 ASP 34 HB2 ASP 34 -8.297 -3.864 10.117 252 HB3 ASP 34 HB1 ASP 34 -8.200 -2.145 9.782 253 H ASP 35 HN ASP 35 -9.276 -1.144 7.637 254 HA ASP 35 HA ASP 35 -11.507 0.509 8.583 255 HB2 ASP 35 HB2 ASP 35 -9.183 1.478 8.903 256 HB3 ASP 35 HB1 ASP 35 -9.042 1.444 7.165 257 H LEU 36 HN LEU 36 -9.591 -0.083 5.639 258 HA LEU 36 HA LEU 36 -11.151 1.495 4.006 259 HB2 LEU 36 HB2 LEU 36 -9.247 -0.716 3.308 260 HB3 LEU 36 HB1 LEU 36 -10.041 0.296 2.119 261 HG LEU 36 HG LEU 36 -8.114 1.243 4.237 262 HD11 LEU 36 HD11 LEU 36 -7.842 1.032 1.243 263 HD12 LEU 36 HD12 LEU 36 -7.033 0.010 2.428 264 HD13 LEU 36 HD13 LEU 36 -6.653 1.732 2.341 265 HD21 LEU 36 HD21 LEU 36 -8.287 3.410 3.112 266 HD22 LEU 36 HD22 LEU 36 -9.837 2.878 3.778 267 HD23 LEU 36 HD23 LEU 36 -9.532 2.741 2.047 268 H ASP 37 HN ASP 37 -12.407 1.093 2.392 269 HA ASP 37 HA ASP 37 -14.408 -0.955 2.918 270 HB2 ASP 37 HB2 ASP 37 -15.264 1.337 2.761 271 HB3 ASP 37 HB1 ASP 37 -14.525 1.535 1.180 272 H VAL 38 HN VAL 38 -12.670 -2.287 2.185 273 HA VAL 38 HA VAL 38 -12.903 -2.858 -0.651 274 HB VAL 38 HB VAL 38 -10.602 -3.735 -0.469 275 HG11 VAL 38 HG11 VAL 38 -9.433 -1.554 -0.475 276 HG12 VAL 38 HG12 VAL 38 -10.861 -0.808 0.250 277 HG13 VAL 38 HG13 VAL 38 -10.945 -1.477 -1.379 278 HG21 VAL 38 HG21 VAL 38 -10.607 -2.391 2.212 279 HG22 VAL 38 HG22 VAL 38 -9.183 -3.058 1.408 280 HG23 VAL 38 HG23 VAL 38 -10.499 -4.124 1.900 281 H ASP 39 HN ASP 39 -11.830 -5.257 -0.757 282 HA ASP 39 HA ASP 39 -13.109 -6.930 1.327 283 HB2 ASP 39 HB2 ASP 39 -12.741 -7.359 -1.620 284 HB3 ASP 39 HB1 ASP 39 -12.995 -8.730 -0.546 285 H SER 40 HN SER 40 -10.552 -5.722 1.193 286 HA SER 40 HA SER 40 -8.432 -5.945 1.692 287 HB2 SER 40 HB2 SER 40 -7.642 -7.804 3.069 288 HB3 SER 40 HB1 SER 40 -9.192 -7.165 3.611 289 H LEU 41 HN LEU 41 -9.052 -9.185 0.521 290 HA LEU 41 HA LEU 41 -6.597 -9.856 -0.411 291 HB2 LEU 41 HB2 LEU 41 -9.279 -10.673 -1.444 292 HB3 LEU 41 HB1 LEU 41 -7.836 -11.241 -2.243 293 HG LEU 41 HG LEU 41 -7.134 -12.336 -0.122 294 HD11 LEU 41 HD11 LEU 41 -8.297 -10.918 1.467 295 HD12 LEU 41 HD12 LEU 41 -8.733 -12.614 1.672 296 HD13 LEU 41 HD13 LEU 41 -9.847 -11.510 0.867 297 HD21 LEU 41 HD21 LEU 41 -8.313 -13.580 -1.827 298 HD22 LEU 41 HD22 LEU 41 -9.862 -13.087 -1.138 299 HD23 LEU 41 HD23 LEU 41 -8.778 -14.132 -0.217 300 H SER 42 HN SER 42 -8.753 -7.680 -1.960 301 HA SER 42 HA SER 42 -7.866 -7.627 -4.587 302 HB2 SER 42 HB2 SER 42 -8.819 -5.352 -2.861 303 HB3 SER 42 HB1 SER 42 -8.935 -5.447 -4.631 304 HG SER 42 HG SER 42 -10.558 -6.831 -4.470 305 H MET 43 HN MET 43 -6.408 -6.368 -1.652 306 HA MET 43 HA MET 43 -4.692 -4.396 -2.682 307 HB2 MET 43 HB2 MET 43 -5.366 -4.767 -0.284 308 HB3 MET 43 HB1 MET 43 -4.321 -6.164 -0.246 309 HG2 MET 43 HG2 MET 43 -3.408 -3.352 -0.752 310 HG3 MET 43 HG1 MET 43 -3.446 -4.084 0.845 311 HE1 MET 43 HE1 MET 43 -2.338 -7.152 -0.209 312 HE2 MET 43 HE2 MET 43 -1.972 -6.398 1.330 313 HE3 MET 43 HE3 MET 43 -0.659 -6.938 0.284 314 H VAL 44 HN VAL 44 -4.540 -7.795 -2.815 315 HA VAL 44 HA VAL 44 -1.764 -8.223 -2.998 316 HB VAL 44 HB VAL 44 -3.932 -9.824 -4.419 317 HG11 VAL 44 HG11 VAL 44 -1.099 -10.624 -3.747 318 HG12 VAL 44 HG12 VAL 44 -1.726 -10.294 -5.362 319 HG13 VAL 44 HG13 VAL 44 -2.332 -11.675 -4.445 320 HG21 VAL 44 HG21 VAL 44 -2.639 -10.221 -1.723 321 HG22 VAL 44 HG22 VAL 44 -3.769 -11.340 -2.500 322 HG23 VAL 44 HG23 VAL 44 -4.300 -9.723 -2.047 323 H GLU 45 HN GLU 45 -3.962 -6.917 -5.336 324 HA GLU 45 HA GLU 45 -2.069 -7.049 -7.483 325 HB2 GLU 45 HB2 GLU 45 -4.697 -5.610 -7.230 326 HB3 GLU 45 HB1 GLU 45 -3.698 -5.574 -8.675 327 HG2 GLU 45 HG2 GLU 45 -3.878 -8.030 -8.801 328 HG3 GLU 45 HG1 GLU 45 -4.984 -7.986 -7.430 329 H VAL 46 HN VAL 46 -2.806 -4.757 -4.952 330 HA VAL 46 HA VAL 46 -1.454 -2.637 -6.370 331 HB VAL 46 HB VAL 46 -3.374 -1.990 -4.879 332 HG11 VAL 46 HG11 VAL 46 -3.113 -1.886 -2.493 333 HG12 VAL 46 HG12 VAL 46 -1.547 -2.686 -2.627 334 HG13 VAL 46 HG13 VAL 46 -3.014 -3.550 -3.077 335 HG21 VAL 46 HG21 VAL 46 -1.717 -0.310 -5.460 336 HG22 VAL 46 HG22 VAL 46 -0.732 -0.789 -4.076 337 HG23 VAL 46 HG23 VAL 46 -2.317 -0.057 -3.819 338 H VAL 47 HN VAL 47 -0.747 -4.896 -3.799 339 HA VAL 47 HA VAL 47 1.649 -3.656 -3.042 340 HB VAL 47 HB VAL 47 0.640 -5.400 -1.628 341 HG11 VAL 47 HG11 VAL 47 0.905 -7.780 -2.107 342 HG12 VAL 47 HG12 VAL 47 1.541 -7.378 -3.704 343 HG13 VAL 47 HG13 VAL 47 -0.124 -6.973 -3.289 344 HG21 VAL 47 HG21 VAL 47 3.449 -6.055 -2.483 345 HG22 VAL 47 HG22 VAL 47 2.690 -6.582 -0.981 346 HG23 VAL 47 HG23 VAL 47 2.964 -4.865 -1.274 347 H VAL 48 HN VAL 48 1.049 -6.047 -5.568 348 HA VAL 48 HA VAL 48 3.806 -6.213 -6.258 349 HB VAL 48 HB VAL 48 2.136 -8.032 -6.727 350 HG11 VAL 48 HG11 VAL 48 0.286 -6.766 -7.546 351 HG12 VAL 48 HG12 VAL 48 0.779 -7.956 -8.752 352 HG13 VAL 48 HG13 VAL 48 1.210 -6.258 -8.960 353 HG21 VAL 48 HG21 VAL 48 4.313 -8.108 -7.784 354 HG22 VAL 48 HG22 VAL 48 3.738 -7.087 -9.103 355 HG23 VAL 48 HG23 VAL 48 3.086 -8.712 -8.898 356 H ALA 49 HN ALA 49 1.299 -4.034 -6.975 357 HA ALA 49 HA ALA 49 2.574 -2.938 -9.333 358 HB1 ALA 49 HB1 ALA 49 0.131 -2.968 -9.186 359 HB2 ALA 49 HB2 ALA 49 0.747 -1.320 -9.320 360 HB3 ALA 49 HB3 ALA 49 0.205 -1.936 -7.758 361 H ALA 50 HN ALA 50 2.553 -2.468 -5.939 362 HA ALA 50 HA ALA 50 3.413 0.208 -5.948 363 HB1 ALA 50 HB1 ALA 50 2.353 -0.810 -3.990 364 HB2 ALA 50 HB2 ALA 50 3.953 -0.182 -3.572 365 HB3 ALA 50 HB3 ALA 50 3.721 -1.914 -3.830 366 H GLU 51 HN GLU 51 4.940 -2.874 -6.057 367 HA GLU 51 HA GLU 51 7.590 -2.487 -5.489 368 HB2 GLU 51 HB2 GLU 51 6.423 -4.073 -7.779 369 HB3 GLU 51 HB1 GLU 51 7.985 -4.349 -7.013 370 HG2 GLU 51 HG2 GLU 51 5.389 -4.522 -5.495 371 HG3 GLU 51 HG1 GLU 51 6.135 -5.921 -6.230 372 H GLU 52 HN GLU 52 6.071 -2.202 -8.617 373 HA GLU 52 HA GLU 52 8.339 -1.100 -9.967 374 HB2 GLU 52 HB2 GLU 52 6.697 -0.814 -11.837 375 HB3 GLU 52 HB1 GLU 52 6.816 -2.455 -11.207 376 HG2 GLU 52 HG2 GLU 52 4.787 -2.206 -9.975 377 HG3 GLU 52 HG1 GLU 52 4.682 -0.496 -10.370 378 H ARG 53 HN ARG 53 5.617 0.201 -8.288 379 HA ARG 53 HA ARG 53 5.666 2.678 -9.706 380 HB2 ARG 53 HB2 ARG 53 3.582 1.574 -8.942 381 HB3 ARG 53 HB1 ARG 53 4.041 1.931 -7.291 382 HG2 ARG 53 HG2 ARG 53 2.390 3.505 -8.042 383 HG3 ARG 53 HG1 ARG 53 3.925 4.340 -7.812 384 HD2 ARG 53 HD2 ARG 53 3.013 3.317 -10.498 385 HD3 ARG 53 HD1 ARG 53 2.595 4.920 -9.906 386 HE ARG 53 HE ARG 53 5.072 5.274 -9.758 387 HH11 ARG 53 HH11 ARG 53 3.800 2.873 -12.069 388 HH12 ARG 53 HH12 ARG 53 4.983 3.169 -13.241 389 HH21 ARG 53 HH21 ARG 53 6.715 5.644 -11.335 390 HH22 ARG 53 HH22 ARG 53 6.666 4.819 -12.847 391 H PHE 54 HN PHE 54 6.646 1.505 -6.514 392 HA PHE 54 HA PHE 54 7.394 4.230 -5.796 393 HB2 PHE 54 HB2 PHE 54 6.882 1.823 -4.078 394 HB3 PHE 54 HB1 PHE 54 7.479 3.361 -3.463 395 HD1 PHE 54 HD2 PHE 54 6.073 5.397 -3.777 396 HD2 PHE 54 HD1 PHE 54 4.641 1.471 -4.488 397 HE1 PHE 54 HE2 PHE 54 3.771 6.212 -3.608 398 HE2 PHE 54 HE1 PHE 54 2.335 2.276 -4.322 399 HZ PHE 54 HZ PHE 54 1.909 4.672 -3.909 400 H ASP 55 HN ASP 55 8.865 1.740 -7.202 401 HA ASP 55 HA ASP 55 11.011 1.032 -7.499 402 HB2 ASP 55 HB2 ASP 55 11.655 3.391 -5.721 403 HB3 ASP 55 HB1 ASP 55 12.905 2.388 -6.463 404 H VAL 56 HN VAL 56 9.455 -0.231 -5.595 405 HA VAL 56 HA VAL 56 11.469 -0.931 -3.600 406 HB VAL 56 HB VAL 56 9.608 -1.695 -2.068 407 HG11 VAL 56 HG11 VAL 56 9.002 0.502 -1.294 408 HG12 VAL 56 HG12 VAL 56 9.552 1.207 -2.818 409 HG13 VAL 56 HG13 VAL 56 10.710 0.435 -1.728 410 HG21 VAL 56 HG21 VAL 56 7.843 -1.951 -3.746 411 HG22 VAL 56 HG22 VAL 56 7.859 -0.212 -4.032 412 HG23 VAL 56 HG23 VAL 56 7.349 -0.843 -2.467 413 H LYS 57 HN LYS 57 10.391 -3.211 -2.557 414 HA LYS 57 HA LYS 57 9.616 -5.121 -4.399 415 HB2 LYS 57 HB2 LYS 57 11.970 -4.912 -5.166 416 HB3 LYS 57 HB1 LYS 57 12.521 -5.182 -3.521 417 HG2 LYS 57 HG2 LYS 57 11.749 -7.439 -3.560 418 HG3 LYS 57 HG1 LYS 57 10.943 -7.189 -5.113 419 HD2 LYS 57 HD2 LYS 57 13.058 -6.808 -6.195 420 HD3 LYS 57 HD1 LYS 57 13.901 -6.915 -4.650 421 HE2 LYS 57 HE2 LYS 57 13.276 -9.239 -4.434 422 HE3 LYS 57 HE1 LYS 57 12.324 -9.142 -5.918 423 HZ1 LYS 57 HZ1 LYS 57 14.194 -8.976 -7.210 424 HZ2 LYS 57 HZ2 LYS 57 14.735 -10.075 -6.009 425 HZ3 LYS 57 HZ3 LYS 57 15.173 -8.446 -5.955 426 H ILE 58 HN ILE 58 8.257 -5.866 -3.069 427 HA ILE 58 HA ILE 58 8.921 -6.150 -0.209 428 HB ILE 58 HB ILE 58 6.199 -6.024 -1.532 429 HG12 ILE 58 HG12 ILE 58 7.533 -3.785 -0.015 430 HG13 ILE 58 HG11 ILE 58 7.660 -3.937 -1.766 431 HG21 ILE 58 HG21 ILE 58 7.066 -5.714 1.347 432 HG22 ILE 58 HG22 ILE 58 6.234 -7.111 0.657 433 HG23 ILE 58 HG23 ILE 58 5.417 -5.549 0.738 434 HD11 ILE 58 HD11 ILE 58 5.096 -3.670 -0.220 435 HD12 ILE 58 HD12 ILE 58 5.277 -3.786 -1.977 436 HD13 ILE 58 HD13 ILE 58 5.913 -2.382 -1.118 437 HA PRO 59 HA PRO 59 8.703 -10.584 -1.110 438 HB2 PRO 59 HB2 PRO 59 8.863 -10.714 1.842 439 HB3 PRO 59 HB1 PRO 59 9.912 -11.461 0.636 440 HG2 PRO 59 HG2 PRO 59 10.746 -9.390 2.105 441 HG3 PRO 59 HG1 PRO 59 11.222 -9.575 0.408 442 HD2 PRO 59 HD2 PRO 59 9.158 -7.788 1.616 443 HD3 PRO 59 HD1 PRO 59 10.313 -7.460 0.307 444 H ASP 60 HN ASP 60 6.918 -11.697 -1.295 445 HA ASP 60 HA ASP 60 4.425 -10.704 -0.763 446 HB2 ASP 60 HB2 ASP 60 5.238 -13.515 -1.411 447 HB3 ASP 60 HB1 ASP 60 3.551 -13.042 -1.239 448 H ASP 61 HN ASP 61 6.099 -12.990 1.350 449 HA ASP 61 HA ASP 61 3.719 -13.000 2.970 450 HB2 ASP 61 HB2 ASP 61 6.251 -14.563 3.217 451 HB3 ASP 61 HB1 ASP 61 5.215 -14.373 4.629 452 H ASP 62 HN ASP 62 6.606 -11.288 2.882 453 HA ASP 62 HA ASP 62 6.586 -10.341 5.576 454 HB2 ASP 62 HB2 ASP 62 8.584 -10.271 3.947 455 HB3 ASP 62 HB1 ASP 62 7.779 -8.884 3.214 456 H VAL 63 HN VAL 63 5.003 -9.479 2.662 457 HA VAL 63 HA VAL 63 3.960 -6.925 3.087 458 HB VAL 63 HB VAL 63 2.444 -9.293 1.938 459 HG11 VAL 63 HG11 VAL 63 0.991 -7.420 2.395 460 HG12 VAL 63 HG12 VAL 63 1.195 -7.622 0.655 461 HG13 VAL 63 HG13 VAL 63 2.061 -6.340 1.502 462 HG21 VAL 63 HG21 VAL 63 3.228 -8.549 -0.257 463 HG22 VAL 63 HG22 VAL 63 4.569 -9.026 0.787 464 HG23 VAL 63 HG23 VAL 63 4.218 -7.316 0.521 465 H LYS 64 HN LYS 64 2.839 -10.058 4.218 466 HA LYS 64 HA LYS 64 0.340 -9.273 5.248 467 HB2 LYS 64 HB2 LYS 64 1.997 -11.687 5.957 468 HB3 LYS 64 HB1 LYS 64 0.291 -11.467 6.316 469 HG2 LYS 64 HG2 LYS 64 -0.178 -11.375 3.900 470 HG3 LYS 64 HG1 LYS 64 1.536 -11.681 3.583 471 HD2 LYS 64 HD2 LYS 64 1.363 -13.798 4.817 472 HD3 LYS 64 HD1 LYS 64 -0.350 -13.492 5.090 473 HE2 LYS 64 HE2 LYS 64 -0.108 -15.025 3.253 474 HE3 LYS 64 HE1 LYS 64 -0.688 -13.479 2.635 475 HZ1 LYS 64 HZ1 LYS 64 1.572 -12.968 1.915 476 HZ2 LYS 64 HZ2 LYS 64 1.032 -14.400 1.239 477 HZ3 LYS 64 HZ3 LYS 64 2.111 -14.463 2.545 478 H ASN 65 HN ASN 65 3.381 -8.640 6.510 479 HA ASN 65 HA ASN 65 2.580 -8.725 9.287 480 HB2 ASN 65 HB2 ASN 65 4.949 -9.128 8.631 481 HB3 ASN 65 HB1 ASN 65 5.048 -7.475 8.040 482 HD21 ASN 65 HD21 ASN 65 6.637 -6.856 9.463 483 HD22 ASN 65 HD22 ASN 65 6.372 -6.690 11.166 484 H LEU 66 HN LEU 66 2.334 -6.548 6.650 485 HA LEU 66 HA LEU 66 2.209 -4.172 8.300 486 HB2 LEU 66 HB2 LEU 66 1.583 -4.514 5.364 487 HB3 LEU 66 HB1 LEU 66 1.819 -3.001 6.210 488 HG LEU 66 HG LEU 66 3.933 -5.077 5.637 489 HD11 LEU 66 HD11 LEU 66 3.274 -3.816 3.691 490 HD12 LEU 66 HD12 LEU 66 4.891 -3.330 4.214 491 HD13 LEU 66 HD13 LEU 66 3.496 -2.307 4.574 492 HD21 LEU 66 HD21 LEU 66 5.527 -3.526 6.599 493 HD22 LEU 66 HD22 LEU 66 4.308 -3.942 7.808 494 HD23 LEU 66 HD23 LEU 66 4.240 -2.387 6.972 495 H LYS 67 HN LYS 67 0.118 -2.726 7.619 496 HA LYS 67 HA LYS 67 -2.254 -4.278 7.376 497 HB2 LYS 67 HB2 LYS 67 -3.145 -3.664 9.656 498 HB3 LYS 67 HB1 LYS 67 -1.879 -4.885 9.630 499 HG2 LYS 67 HG2 LYS 67 -0.255 -3.050 10.152 500 HG3 LYS 67 HG1 LYS 67 -1.643 -2.000 10.416 501 HD2 LYS 67 HD2 LYS 67 -2.470 -3.599 12.112 502 HD3 LYS 67 HD1 LYS 67 -0.984 -4.532 11.906 503 HE2 LYS 67 HE2 LYS 67 -1.195 -1.672 12.827 504 HE3 LYS 67 HE1 LYS 67 -0.836 -3.064 13.842 505 HZ1 LYS 67 HZ1 LYS 67 1.158 -1.964 13.375 506 HZ2 LYS 67 HZ2 LYS 67 0.899 -1.888 11.712 507 HZ3 LYS 67 HZ3 LYS 67 1.219 -3.371 12.449 508 H THR 68 HN THR 68 -1.167 -1.074 8.649 509 HA THR 68 HA THR 68 -3.448 0.011 7.206 510 HB THR 68 HB THR 68 -3.024 2.117 8.392 511 HG1 THR 68 HG1 THR 68 -0.801 0.700 9.548 512 HG21 THR 68 HG21 THR 68 -3.053 -0.288 10.206 513 HG22 THR 68 HG22 THR 68 -4.456 0.491 9.475 514 HG23 THR 68 HG23 THR 68 -3.502 1.348 10.693 515 H VAL 69 HN VAL 69 -2.914 2.237 6.185 516 HA VAL 69 HA VAL 69 -0.782 1.763 4.372 517 HB VAL 69 HB VAL 69 -1.334 3.919 3.292 518 HG11 VAL 69 HG11 VAL 69 -2.585 1.942 2.660 519 HG12 VAL 69 HG12 VAL 69 -3.609 3.378 2.579 520 HG13 VAL 69 HG13 VAL 69 -3.759 2.259 3.935 521 HG21 VAL 69 HG21 VAL 69 -1.937 5.205 5.278 522 HG22 VAL 69 HG22 VAL 69 -3.382 4.216 5.483 523 HG23 VAL 69 HG23 VAL 69 -3.229 5.258 4.082 524 H GLY 70 HN GLY 70 -0.987 3.134 7.405 525 HA2 GLY 70 HA2 GLY 70 1.275 4.857 7.261 526 HA3 GLY 70 HA1 GLY 70 0.524 4.228 8.728 527 H ASP 71 HN ASP 71 0.733 1.460 7.801 528 HA ASP 71 HA ASP 71 3.454 0.892 8.590 529 HB2 ASP 71 HB2 ASP 71 1.368 -0.994 7.433 530 HB3 ASP 71 HB1 ASP 71 2.887 -1.473 8.160 531 H ALA 72 HN ALA 72 1.525 0.930 5.720 532 HA ALA 72 HA ALA 72 3.303 -0.364 3.964 533 HB1 ALA 72 HB1 ALA 72 0.910 -0.115 3.492 534 HB2 ALA 72 HB2 ALA 72 1.897 0.521 2.178 535 HB3 ALA 72 HB3 ALA 72 1.127 1.626 3.319 536 H THR 73 HN THR 73 2.589 3.084 4.423 537 HA THR 73 HA THR 73 4.376 4.160 2.654 538 HB THR 73 HB THR 73 4.378 6.104 4.355 539 HG1 THR 73 HG1 THR 73 2.171 4.794 5.451 540 HG21 THR 73 HG21 THR 73 2.095 6.723 3.730 541 HG22 THR 73 HG22 THR 73 1.784 5.055 3.243 542 HG23 THR 73 HG23 THR 73 2.967 6.025 2.364 543 H LYS 74 HN LYS 74 4.816 3.642 6.112 544 HA LYS 74 HA LYS 74 7.433 4.476 6.415 545 HB2 LYS 74 HB2 LYS 74 5.736 3.882 8.199 546 HB3 LYS 74 HB1 LYS 74 6.154 2.201 7.924 547 HG2 LYS 74 HG2 LYS 74 7.327 3.015 9.856 548 HG3 LYS 74 HG1 LYS 74 8.484 2.713 8.561 549 HD2 LYS 74 HD2 LYS 74 8.988 4.823 9.697 550 HD3 LYS 74 HD1 LYS 74 8.508 5.109 8.024 551 HE2 LYS 74 HE2 LYS 74 6.248 5.683 8.779 552 HE3 LYS 74 HE1 LYS 74 6.734 5.404 10.451 553 HZ1 LYS 74 HZ1 LYS 74 6.757 7.768 9.817 554 HZ2 LYS 74 HZ2 LYS 74 7.954 7.463 8.667 555 HZ3 LYS 74 HZ3 LYS 74 8.272 7.237 10.299 556 H TYR 75 HN TYR 75 6.210 1.239 5.588 557 HA TYR 75 HA TYR 75 8.698 -0.086 5.512 558 HB2 TYR 75 HB2 TYR 75 6.473 -1.215 5.622 559 HB3 TYR 75 HB1 TYR 75 6.162 -0.708 3.969 560 HD1 TYR 75 HD2 TYR 75 7.539 -1.673 2.118 561 HD2 TYR 75 HD1 TYR 75 7.776 -3.154 6.097 562 HE1 TYR 75 HE2 TYR 75 8.605 -3.755 1.299 563 HE2 TYR 75 HE1 TYR 75 8.809 -5.215 5.275 564 HH TYR 75 HH TYR 75 9.834 -5.467 1.970 565 H ILE 76 HN ILE 76 6.749 1.432 2.988 566 HA ILE 76 HA ILE 76 8.361 0.846 0.774 567 HB ILE 76 HB ILE 76 6.457 3.147 1.245 568 HG12 ILE 76 HG12 ILE 76 6.204 0.625 -0.390 569 HG13 ILE 76 HG11 ILE 76 5.522 0.865 1.218 570 HG21 ILE 76 HG21 ILE 76 7.783 2.324 -1.346 571 HG22 ILE 76 HG22 ILE 76 8.085 3.818 -0.457 572 HG23 ILE 76 HG23 ILE 76 6.502 3.526 -1.180 573 HD11 ILE 76 HD11 ILE 76 3.848 1.184 -0.495 574 HD12 ILE 76 HD12 ILE 76 4.860 2.446 -1.227 575 HD13 ILE 76 HD13 ILE 76 4.193 2.676 0.393 576 H LEU 77 HN LEU 77 8.196 3.917 2.593 577 HA LEU 77 HA LEU 77 10.288 5.071 1.164 578 HB2 LEU 77 HB2 LEU 77 10.403 6.790 2.967 579 HB3 LEU 77 HB1 LEU 77 8.837 6.561 2.240 580 HG LEU 77 HG LEU 77 8.235 5.197 4.298 581 HD11 LEU 77 HD11 LEU 77 10.704 6.525 5.387 582 HD12 LEU 77 HD12 LEU 77 10.468 4.790 5.155 583 HD13 LEU 77 HD13 LEU 77 9.486 5.665 6.330 584 HD21 LEU 77 HD21 LEU 77 7.405 7.409 3.874 585 HD22 LEU 77 HD22 LEU 77 8.867 8.116 4.557 586 HD23 LEU 77 HD23 LEU 77 7.759 7.208 5.590 587 H ASP 78 HN ASP 78 10.381 2.855 3.614 588 HA ASP 78 HA ASP 78 13.055 3.300 4.567 589 HB2 ASP 78 HB2 ASP 78 11.538 2.087 5.967 590 HB3 ASP 78 HB1 ASP 78 11.212 0.915 4.700 591 H HIS 79 HN HIS 79 11.625 1.431 1.998 592 HA HIS 79 HA HIS 79 14.228 0.225 1.346 593 HB2 HIS 79 HB2 HIS 79 12.311 -1.305 1.685 594 HB3 HIS 79 HB1 HIS 79 11.457 -0.515 0.374 595 HD1 HIS 79 HD1 HIS 79 13.898 -3.180 1.094 596 HD2 HIS 79 HD2 HIS 79 12.538 -1.106 -2.239 597 HE1 HIS 79 HE1 HIS 79 14.650 -4.512 -0.900 598 HE2 HIS 79 HE2 HIS 79 13.948 -3.138 -2.900 599 H GLN 80 HN GLN 80 12.105 2.681 0.272 600 HA GLN 80 HA GLN 80 12.562 2.464 -2.530 601 HB2 GLN 80 HB2 GLN 80 11.385 4.506 -2.777 602 HB3 GLN 80 HB1 GLN 80 10.619 3.691 -1.421 603 HG2 GLN 80 HG2 GLN 80 11.881 5.099 0.128 604 HG3 GLN 80 HG1 GLN 80 12.646 5.911 -1.230 605 HE21 GLN 80 HE21 GLN 80 11.205 7.183 0.757 606 HE22 GLN 80 HE22 GLN 80 9.779 7.884 0.101 607 H ALA 81 HN ALA 81 13.709 3.992 -3.855 608 HA ALA 81 HA ALA 81 15.798 5.505 -2.556 609 HB1 ALA 81 HB1 ALA 81 16.836 3.356 -3.152 610 HB2 ALA 81 HB2 ALA 81 17.466 4.656 -4.161 611 HB3 ALA 81 HB3 ALA 81 16.269 3.537 -4.813 612 H28 SXO 101 H28B SXO 101 -6.924 -10.076 4.685 613 H28A SXO 101 H28A SXO 101 -6.938 -10.899 3.114 614 H30 SXO 101 H30A SXO 101 -6.513 -11.085 6.541 615 H30A SXO 101 H30C SXO 101 -8.047 -11.935 6.368 616 H30B SXO 101 H30B SXO 101 -6.575 -12.843 6.826 617 H31 SXO 101 H31A SXO 101 -6.861 -14.314 4.750 618 H31A SXO 101 H31B SXO 101 -7.110 -13.491 3.203 619 H31B SXO 101 H31C SXO 101 -8.351 -13.406 4.456 620 H32 SXO 101 H32A SXO 101 -4.642 -11.421 5.201 621 HO33 SXO 101 H33A SXO 101 -4.268 -13.934 4.538 622 HN36 SXO 101 H36A SXO 101 -4.641 -10.415 3.223 623 H37 SXO 101 H37A SXO 101 -3.193 -11.823 1.158 624 H37A SXO 101 H37B SXO 101 -4.725 -11.101 0.645 625 H38 SXO 101 H38B SXO 101 -2.793 -9.626 0.235 626 H38A SXO 101 H38A SXO 101 -2.436 -9.630 1.960 627 HN41 SXO 101 H41A SXO 101 -3.672 -8.476 3.361 628 H42 SXO 101 H42A SXO 101 -5.022 -6.139 2.420 629 H42A SXO 101 H42B SXO 101 -6.095 -7.344 3.058 630 H43 SXO 101 H43B SXO 101 -5.763 -6.086 4.852 631 H43A SXO 101 H43A SXO 101 -4.681 -7.425 5.174 632 H2 SXO 101 H2A SXO 101 -0.030 -6.227 4.124 633 H2A SXO 101 H2B SXO 101 -0.689 -5.011 5.227 634 H3 SXO 101 H3B SXO 101 -1.270 -5.043 2.283 635 H3A SXO 101 H3A SXO 101 -1.594 -3.762 3.444 636 H4 SXO 101 H4A SXO 101 1.150 -4.743 2.697 637 H4A SXO 101 H4B SXO 101 0.762 -3.361 3.730 638 H5 SXO 101 H5B SXO 101 -0.053 -3.631 0.849 639 H5A SXO 101 H5A SXO 101 -0.281 -2.222 1.883 640 H6 SXO 101 H6A SXO 101 2.374 -3.387 1.064 641 H6A SXO 101 H6B SXO 101 2.119 -1.933 2.044 642 H7 SXO 101 H7A SXO 101 0.993 -0.849 0.180 643 H7A SXO 101 H7B SXO 101 1.184 -2.318 -0.797 644 H8 SXO 101 H8C SXO 101 3.606 -2.104 -0.602 645 H8A SXO 101 H8A SXO 101 3.402 -0.652 0.374 646 H8B SXO 101 H8B SXO 101 2.896 -0.655 -1.315 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 14.430 9.562 -4.281 2 H2 ALA 1 HT2 ALA 1 13.558 10.980 -4.648 3 H3 ALA 1 HT3 ALA 1 12.879 9.456 -4.940 4 HA ALA 1 HA ALA 1 12.734 8.967 -2.674 5 HB1 ALA 1 HB1 ALA 1 13.967 11.686 -2.228 6 HB2 ALA 1 HB2 ALA 1 14.759 10.135 -1.944 7 HB3 ALA 1 HB3 ALA 1 13.357 10.600 -0.978 8 H ALA 2 HN ALA 2 11.034 9.847 -1.301 9 HA ALA 2 HA ALA 2 9.328 11.858 -2.551 10 HB1 ALA 2 HB1 ALA 2 7.397 10.317 -2.373 11 HB2 ALA 2 HB2 ALA 2 8.494 9.023 -1.884 12 HB3 ALA 2 HB3 ALA 2 8.610 9.711 -3.504 13 H THR 3 HN THR 3 7.147 11.254 -0.745 14 HA THR 3 HA THR 3 8.309 11.078 1.865 15 HB THR 3 HB THR 3 6.550 13.472 1.111 16 HG1 THR 3 HG1 THR 3 9.174 13.013 0.889 17 HG21 THR 3 HG21 THR 3 7.224 14.357 3.333 18 HG22 THR 3 HG22 THR 3 8.064 12.839 3.672 19 HG23 THR 3 HG23 THR 3 6.311 12.862 3.473 20 H GLN 4 HN GLN 4 6.344 11.042 3.518 21 HA GLN 4 HA GLN 4 4.918 8.780 3.121 22 HB2 GLN 4 HB2 GLN 4 3.452 9.536 4.996 23 HB3 GLN 4 HB1 GLN 4 5.178 9.606 5.303 24 HG2 GLN 4 HG2 GLN 4 5.189 11.998 4.955 25 HG3 GLN 4 HG1 GLN 4 3.475 11.969 4.538 26 HE21 GLN 4 HE21 GLN 4 1.982 11.810 6.138 27 HE22 GLN 4 HE22 GLN 4 2.383 11.893 7.825 28 H GLU 5 HN GLU 5 3.526 12.044 2.612 29 HA GLU 5 HA GLU 5 0.936 11.114 2.041 30 HB2 GLU 5 HB2 GLU 5 2.219 13.688 1.110 31 HB3 GLU 5 HB1 GLU 5 0.496 13.363 1.233 32 HG2 GLU 5 HG2 GLU 5 2.445 13.544 3.525 33 HG3 GLU 5 HG1 GLU 5 1.269 14.765 3.058 34 H GLU 6 HN GLU 6 3.625 12.034 -0.024 35 HA GLU 6 HA GLU 6 2.492 11.571 -2.534 36 HB2 GLU 6 HB2 GLU 6 5.317 11.421 -1.534 37 HB3 GLU 6 HB1 GLU 6 4.919 11.121 -3.218 38 HG2 GLU 6 HG2 GLU 6 4.136 13.638 -1.787 39 HG3 GLU 6 HG1 GLU 6 5.668 13.452 -2.641 40 H ILE 7 HN ILE 7 4.055 9.330 -0.327 41 HA ILE 7 HA ILE 7 3.970 7.118 -2.108 42 HB ILE 7 HB ILE 7 4.147 7.206 0.921 43 HG12 ILE 7 HG12 ILE 7 6.105 8.188 -0.197 44 HG13 ILE 7 HG11 ILE 7 6.538 6.686 0.602 45 HG21 ILE 7 HG21 ILE 7 3.209 5.080 0.271 46 HG22 ILE 7 HG22 ILE 7 4.865 4.864 0.836 47 HG23 ILE 7 HG23 ILE 7 4.511 4.830 -0.892 48 HD11 ILE 7 HD11 ILE 7 6.528 5.534 -1.589 49 HD12 ILE 7 HD12 ILE 7 7.646 6.880 -1.585 50 HD13 ILE 7 HD13 ILE 7 6.085 7.043 -2.374 51 H VAL 8 HN VAL 8 1.864 8.118 0.586 52 HA VAL 8 HA VAL 8 -0.070 6.104 0.297 53 HB VAL 8 HB VAL 8 -0.442 8.944 1.332 54 HG11 VAL 8 HG11 VAL 8 -2.395 8.071 2.522 55 HG12 VAL 8 HG12 VAL 8 -2.168 6.505 1.743 56 HG13 VAL 8 HG13 VAL 8 -2.589 7.920 0.777 57 HG21 VAL 8 HG21 VAL 8 -0.193 7.937 3.546 58 HG22 VAL 8 HG22 VAL 8 1.248 7.703 2.559 59 HG23 VAL 8 HG23 VAL 8 0.116 6.371 2.794 60 H ALA 9 HN ALA 9 0.195 9.257 -1.270 61 HA ALA 9 HA ALA 9 -2.230 9.181 -2.712 62 HB1 ALA 9 HB1 ALA 9 -0.959 11.231 -2.339 63 HB2 ALA 9 HB2 ALA 9 -1.241 10.960 -4.062 64 HB3 ALA 9 HB3 ALA 9 0.339 10.604 -3.353 65 H GLY 10 HN GLY 10 0.881 7.743 -3.265 66 HA2 GLY 10 HA2 GLY 10 0.349 7.047 -6.001 67 HA3 GLY 10 HA1 GLY 10 1.651 6.389 -5.001 68 H LEU 11 HN LEU 11 0.236 5.448 -2.873 69 HA LEU 11 HA LEU 11 -0.506 2.861 -3.592 70 HB2 LEU 11 HB2 LEU 11 -1.347 4.430 -1.154 71 HB3 LEU 11 HB1 LEU 11 -1.521 2.700 -1.337 72 HG LEU 11 HG LEU 11 1.118 4.163 -1.284 73 HD11 LEU 11 HD11 LEU 11 -0.280 2.556 0.859 74 HD12 LEU 11 HD12 LEU 11 -0.019 4.302 0.877 75 HD13 LEU 11 HD13 LEU 11 1.355 3.202 0.965 76 HD21 LEU 11 HD21 LEU 11 0.445 1.219 -1.172 77 HD22 LEU 11 HD22 LEU 11 2.061 1.913 -1.001 78 HD23 LEU 11 HD23 LEU 11 1.193 2.063 -2.528 79 H ALA 12 HN ALA 12 -2.544 5.638 -2.872 80 HA ALA 12 HA ALA 12 -4.979 4.269 -3.119 81 HB1 ALA 12 HB1 ALA 12 -6.049 6.376 -3.114 82 HB2 ALA 12 HB2 ALA 12 -4.518 7.213 -3.447 83 HB3 ALA 12 HB3 ALA 12 -4.761 6.354 -1.907 84 H GLU 13 HN GLU 13 -2.911 5.650 -5.547 85 HA GLU 13 HA GLU 13 -4.824 5.840 -7.604 86 HB2 GLU 13 HB2 GLU 13 -1.848 5.511 -7.562 87 HB3 GLU 13 HB1 GLU 13 -2.722 5.359 -9.078 88 HG2 GLU 13 HG2 GLU 13 -2.897 7.759 -7.276 89 HG3 GLU 13 HG1 GLU 13 -1.784 7.614 -8.644 90 H ILE 14 HN ILE 14 -2.709 3.191 -6.652 91 HA ILE 14 HA ILE 14 -3.885 1.483 -8.605 92 HB ILE 14 HB ILE 14 -2.232 0.581 -6.199 93 HG12 ILE 14 HG12 ILE 14 -0.417 0.221 -7.994 94 HG13 ILE 14 HG11 ILE 14 -1.366 1.281 -9.020 95 HG21 ILE 14 HG21 ILE 14 -2.945 -0.802 -8.769 96 HG22 ILE 14 HG22 ILE 14 -3.599 -1.158 -7.168 97 HG23 ILE 14 HG23 ILE 14 -1.888 -1.459 -7.512 98 HD11 ILE 14 HD11 ILE 14 -0.100 2.006 -6.389 99 HD12 ILE 14 HD12 ILE 14 -1.065 3.085 -7.393 100 HD13 ILE 14 HD13 ILE 14 0.471 2.461 -7.995 101 H VAL 15 HN VAL 15 -4.356 2.026 -5.149 102 HA VAL 15 HA VAL 15 -6.195 -0.070 -4.914 103 HB VAL 15 HB VAL 15 -5.970 2.365 -3.096 104 HG11 VAL 15 HG11 VAL 15 -7.407 -0.247 -2.664 105 HG12 VAL 15 HG12 VAL 15 -8.178 1.317 -2.932 106 HG13 VAL 15 HG13 VAL 15 -7.222 1.042 -1.476 107 HG21 VAL 15 HG21 VAL 15 -4.895 0.823 -1.584 108 HG22 VAL 15 HG22 VAL 15 -3.978 0.945 -3.098 109 HG23 VAL 15 HG23 VAL 15 -4.998 -0.464 -2.773 110 H ASN 16 HN ASN 16 -6.657 3.185 -6.068 111 HA ASN 16 HA ASN 16 -9.482 3.069 -6.050 112 HB2 ASN 16 HB2 ASN 16 -8.414 5.242 -6.286 113 HB3 ASN 16 HB1 ASN 16 -7.632 4.737 -7.780 114 HD21 ASN 16 HD21 ASN 16 -10.679 5.723 -6.314 115 HD22 ASN 16 HD22 ASN 16 -11.510 5.959 -7.798 116 H GLU 17 HN GLU 17 -7.057 2.151 -8.461 117 HA GLU 17 HA GLU 17 -9.081 1.517 -10.373 118 HB2 GLU 17 HB2 GLU 17 -7.320 0.584 -11.777 119 HB3 GLU 17 HB1 GLU 17 -6.836 2.147 -11.141 120 HG2 GLU 17 HG2 GLU 17 -5.374 1.113 -9.558 121 HG3 GLU 17 HG1 GLU 17 -5.975 -0.484 -9.987 122 H ILE 18 HN ILE 18 -7.625 -0.218 -7.793 123 HA ILE 18 HA ILE 18 -8.549 -2.805 -8.803 124 HB ILE 18 HB ILE 18 -7.207 -2.042 -6.197 125 HG12 ILE 18 HG12 ILE 18 -5.725 -1.788 -8.137 126 HG13 ILE 18 HG11 ILE 18 -5.199 -3.112 -7.109 127 HG21 ILE 18 HG21 ILE 18 -6.833 -4.441 -5.830 128 HG22 ILE 18 HG22 ILE 18 -7.835 -4.798 -7.238 129 HG23 ILE 18 HG23 ILE 18 -8.542 -4.002 -5.829 130 HD11 ILE 18 HD11 ILE 18 -6.183 -4.700 -8.667 131 HD12 ILE 18 HD12 ILE 18 -4.988 -3.668 -9.458 132 HD13 ILE 18 HD13 ILE 18 -6.714 -3.366 -9.690 133 H ALA 19 HN ALA 19 -9.171 -0.755 -5.925 134 HA ALA 19 HA ALA 19 -11.441 -2.487 -5.276 135 HB1 ALA 19 HB1 ALA 19 -11.235 -1.674 -3.012 136 HB2 ALA 19 HB2 ALA 19 -9.983 -0.536 -3.519 137 HB3 ALA 19 HB3 ALA 19 -9.683 -2.272 -3.607 138 H GLY 20 HN GLY 20 -10.680 0.792 -6.103 139 HA2 GLY 20 HA2 GLY 20 -12.215 2.358 -6.932 140 HA3 GLY 20 HA1 GLY 20 -13.523 1.330 -6.372 141 H ILE 21 HN ILE 21 -10.810 2.715 -4.589 142 HA ILE 21 HA ILE 21 -12.695 3.741 -2.638 143 HB ILE 21 HB ILE 21 -10.613 4.392 -1.350 144 HG12 ILE 21 HG12 ILE 21 -8.532 3.028 -1.984 145 HG13 ILE 21 HG11 ILE 21 -9.265 2.820 -3.558 146 HG21 ILE 21 HG21 ILE 21 -11.879 2.457 -0.765 147 HG22 ILE 21 HG22 ILE 21 -10.159 2.125 -0.572 148 HG23 ILE 21 HG23 ILE 21 -11.029 1.482 -1.967 149 HD11 ILE 21 HD11 ILE 21 -9.181 5.258 -3.885 150 HD12 ILE 21 HD12 ILE 21 -7.595 4.550 -3.616 151 HD13 ILE 21 HD13 ILE 21 -8.403 5.426 -2.310 152 HA PRO 22 HA PRO 22 -12.181 7.975 -3.914 153 HB2 PRO 22 HB2 PRO 22 -12.621 8.883 -1.189 154 HB3 PRO 22 HB1 PRO 22 -13.727 8.976 -2.561 155 HG2 PRO 22 HG2 PRO 22 -14.157 7.375 -0.399 156 HG3 PRO 22 HG1 PRO 22 -14.772 7.019 -2.021 157 HD2 PRO 22 HD2 PRO 22 -12.374 5.917 -0.615 158 HD3 PRO 22 HD1 PRO 22 -13.564 5.075 -1.631 159 H VAL 23 HN VAL 23 -10.462 9.372 -3.922 160 HA VAL 23 HA VAL 23 -8.192 8.452 -2.376 161 HB VAL 23 HB VAL 23 -6.777 9.841 -3.838 162 HG11 VAL 23 HG11 VAL 23 -8.778 8.081 -5.228 163 HG12 VAL 23 HG12 VAL 23 -7.339 7.547 -4.378 164 HG13 VAL 23 HG13 VAL 23 -7.180 8.504 -5.867 165 HG21 VAL 23 HG21 VAL 23 -7.772 10.941 -5.805 166 HG22 VAL 23 HG22 VAL 23 -8.370 11.658 -4.307 167 HG23 VAL 23 HG23 VAL 23 -9.384 10.537 -5.214 168 H GLU 24 HN GLU 24 -10.311 10.034 -1.242 169 HA GLU 24 HA GLU 24 -8.750 12.217 0.002 170 HB2 GLU 24 HB2 GLU 24 -11.674 11.569 0.317 171 HB3 GLU 24 HB1 GLU 24 -10.848 13.046 0.772 172 HG2 GLU 24 HG2 GLU 24 -10.598 13.666 -1.528 173 HG3 GLU 24 HG1 GLU 24 -11.261 12.109 -2.051 174 H ASP 25 HN ASP 25 -9.929 9.059 0.253 175 HA ASP 25 HA ASP 25 -10.523 9.116 3.086 176 HB2 ASP 25 HB2 ASP 25 -11.727 7.802 1.126 177 HB3 ASP 25 HB1 ASP 25 -10.462 6.646 1.428 178 H VAL 26 HN VAL 26 -8.321 7.531 0.858 179 HA VAL 26 HA VAL 26 -6.937 6.023 2.817 180 HB VAL 26 HB VAL 26 -6.026 6.770 0.021 181 HG11 VAL 26 HG11 VAL 26 -5.161 4.506 1.826 182 HG12 VAL 26 HG12 VAL 26 -4.202 5.927 1.411 183 HG13 VAL 26 HG13 VAL 26 -4.628 4.757 0.163 184 HG21 VAL 26 HG21 VAL 26 -8.197 5.671 -0.016 185 HG22 VAL 26 HG22 VAL 26 -7.567 4.363 0.986 186 HG23 VAL 26 HG23 VAL 26 -6.947 4.602 -0.651 187 H LYS 27 HN LYS 27 -6.256 7.330 4.393 188 HA LYS 27 HA LYS 27 -3.941 9.011 3.805 189 HB2 LYS 27 HB2 LYS 27 -6.161 9.426 5.823 190 HB3 LYS 27 HB1 LYS 27 -4.620 10.274 5.930 191 HG2 LYS 27 HG2 LYS 27 -4.980 11.301 3.783 192 HG3 LYS 27 HG1 LYS 27 -6.450 10.365 3.548 193 HD2 LYS 27 HD2 LYS 27 -6.052 12.343 5.780 194 HD3 LYS 27 HD1 LYS 27 -6.792 12.744 4.227 195 HE2 LYS 27 HE2 LYS 27 -8.469 10.950 4.652 196 HE3 LYS 27 HE1 LYS 27 -7.782 10.762 6.266 197 HZ1 LYS 27 HZ1 LYS 27 -9.754 12.257 6.197 198 HZ2 LYS 27 HZ2 LYS 27 -8.884 13.285 5.186 199 HZ3 LYS 27 HZ3 LYS 27 -8.353 13.046 6.759 200 H LEU 28 HN LEU 28 -2.755 9.216 6.209 201 HA LEU 28 HA LEU 28 -1.497 6.767 6.415 202 HB2 LEU 28 HB2 LEU 28 -1.427 9.177 8.159 203 HB3 LEU 28 HB1 LEU 28 -0.655 7.711 8.717 204 HG LEU 28 HG LEU 28 0.964 9.214 7.703 205 HD11 LEU 28 HD11 LEU 28 1.376 6.846 7.529 206 HD12 LEU 28 HD12 LEU 28 1.978 7.684 6.099 207 HD13 LEU 28 HD13 LEU 28 0.468 6.776 6.020 208 HD21 LEU 28 HD21 LEU 28 -0.650 8.916 5.178 209 HD22 LEU 28 HD22 LEU 28 0.918 9.708 5.311 210 HD23 LEU 28 HD23 LEU 28 -0.485 10.388 6.138 211 H ASP 29 HN ASP 29 -4.112 7.888 8.525 212 HA ASP 29 HA ASP 29 -3.820 5.355 9.919 213 HB2 ASP 29 HB2 ASP 29 -4.239 7.376 11.300 214 HB3 ASP 29 HB1 ASP 29 -5.823 7.531 10.540 215 H LYS 30 HN LYS 30 -4.255 4.425 7.890 216 HA LYS 30 HA LYS 30 -7.024 3.470 7.788 217 HB2 LYS 30 HB2 LYS 30 -5.337 4.341 5.432 218 HB3 LYS 30 HB1 LYS 30 -6.787 3.356 5.282 219 HG2 LYS 30 HG2 LYS 30 -6.742 5.978 6.635 220 HG3 LYS 30 HG1 LYS 30 -7.018 5.853 4.884 221 HD2 LYS 30 HD2 LYS 30 -8.958 4.443 5.270 222 HD3 LYS 30 HD1 LYS 30 -8.641 4.442 7.002 223 HE2 LYS 30 HE2 LYS 30 -9.187 6.740 7.183 224 HE3 LYS 30 HE1 LYS 30 -9.210 6.924 5.426 225 HZ1 LYS 30 HZ1 LYS 30 -11.072 5.142 6.900 226 HZ2 LYS 30 HZ2 LYS 30 -11.147 5.658 5.264 227 HZ3 LYS 30 HZ3 LYS 30 -11.441 6.752 6.491 228 H SER 31 HN SER 31 -7.144 1.328 7.048 229 HA SER 31 HA SER 31 -4.667 -0.055 6.458 230 HB2 SER 31 HB2 SER 31 -5.707 -1.960 7.810 231 HB3 SER 31 HB1 SER 31 -5.007 -0.604 8.707 232 HG SER 31 HG SER 31 -6.889 -0.236 9.506 233 H PHE 32 HN PHE 32 -5.125 -1.958 5.103 234 HA PHE 32 HA PHE 32 -6.918 -1.001 3.147 235 HB2 PHE 32 HB2 PHE 32 -5.247 -3.487 3.182 236 HB3 PHE 32 HB1 PHE 32 -6.194 -2.938 1.798 237 HD1 PHE 32 HD2 PHE 32 -5.586 -0.885 0.609 238 HD2 PHE 32 HD1 PHE 32 -3.220 -2.381 3.813 239 HE1 PHE 32 HE2 PHE 32 -3.710 0.568 -0.084 240 HE2 PHE 32 HE1 PHE 32 -1.366 -0.933 3.116 241 HZ PHE 32 HZ PHE 32 -1.614 0.536 1.166 242 H THR 33 HN THR 33 -7.148 -3.889 5.186 243 HA THR 33 HA THR 33 -9.867 -3.921 4.149 244 HB THR 33 HB THR 33 -8.679 -5.791 3.256 245 HG1 THR 33 HG1 THR 33 -10.752 -6.192 5.033 246 HG21 THR 33 HG21 THR 33 -8.168 -6.651 6.103 247 HG22 THR 33 HG22 THR 33 -6.967 -6.096 4.938 248 HG23 THR 33 HG23 THR 33 -7.803 -7.627 4.681 249 H ASP 34 HN ASP 34 -8.954 -2.559 6.427 250 HA ASP 34 HA ASP 34 -10.789 -3.792 8.352 251 HB2 ASP 34 HB2 ASP 34 -8.479 -4.030 9.232 252 HB3 ASP 34 HB1 ASP 34 -8.264 -2.287 9.109 253 H ASP 35 HN ASP 35 -9.012 -0.746 7.870 254 HA ASP 35 HA ASP 35 -11.388 0.735 8.550 255 HB2 ASP 35 HB2 ASP 35 -8.904 1.486 8.932 256 HB3 ASP 35 HB1 ASP 35 -8.948 1.932 7.237 257 H LEU 36 HN LEU 36 -9.707 -0.291 5.631 258 HA LEU 36 HA LEU 36 -11.581 1.220 3.980 259 HB2 LEU 36 HB2 LEU 36 -9.061 -0.272 3.254 260 HB3 LEU 36 HB1 LEU 36 -10.074 0.605 2.126 261 HG LEU 36 HG LEU 36 -8.564 1.863 4.415 262 HD11 LEU 36 HD11 LEU 36 -7.099 2.756 2.673 263 HD12 LEU 36 HD12 LEU 36 -7.981 1.837 1.453 264 HD13 LEU 36 HD13 LEU 36 -7.056 0.994 2.697 265 HD21 LEU 36 HD21 LEU 36 -9.176 3.947 3.315 266 HD22 LEU 36 HD22 LEU 36 -10.597 3.002 3.800 267 HD23 LEU 36 HD23 LEU 36 -10.090 3.024 2.112 268 H ASP 37 HN ASP 37 -12.025 -0.111 1.858 269 HA ASP 37 HA ASP 37 -13.154 -2.693 2.729 270 HB2 ASP 37 HB2 ASP 37 -14.903 -2.378 1.031 271 HB3 ASP 37 HB1 ASP 37 -14.879 -1.020 2.141 272 H VAL 38 HN VAL 38 -10.536 -2.034 1.675 273 HA VAL 38 HA VAL 38 -10.401 -2.977 -1.046 274 HB VAL 38 HB VAL 38 -8.169 -2.607 0.952 275 HG11 VAL 38 HG11 VAL 38 -6.757 -2.331 -1.034 276 HG12 VAL 38 HG12 VAL 38 -8.160 -2.628 -2.063 277 HG13 VAL 38 HG13 VAL 38 -7.558 -3.905 -1.010 278 HG21 VAL 38 HG21 VAL 38 -7.863 -0.372 -0.004 279 HG22 VAL 38 HG22 VAL 38 -9.427 -0.544 0.790 280 HG23 VAL 38 HG23 VAL 38 -9.323 -0.594 -0.968 281 H ASP 39 HN ASP 39 -10.911 -5.062 -1.249 282 HA ASP 39 HA ASP 39 -10.585 -7.077 0.640 283 HB2 ASP 39 HB2 ASP 39 -10.687 -7.232 -2.375 284 HB3 ASP 39 HB1 ASP 39 -10.613 -8.658 -1.356 285 H SER 40 HN SER 40 -8.958 -8.185 1.317 286 HA SER 40 HA SER 40 -6.376 -7.256 1.079 287 HB2 SER 40 HB2 SER 40 -5.833 -9.239 2.416 288 HB3 SER 40 HB1 SER 40 -7.266 -8.315 2.947 289 H LEU 41 HN LEU 41 -7.770 -10.228 -0.287 290 HA LEU 41 HA LEU 41 -5.396 -11.094 -1.427 291 HB2 LEU 41 HB2 LEU 41 -8.247 -11.707 -2.195 292 HB3 LEU 41 HB1 LEU 41 -6.922 -12.359 -3.125 293 HG LEU 41 HG LEU 41 -6.121 -13.548 -1.081 294 HD11 LEU 41 HD11 LEU 41 -7.601 -13.800 0.829 295 HD12 LEU 41 HD12 LEU 41 -8.701 -12.602 0.146 296 HD13 LEU 41 HD13 LEU 41 -7.077 -12.127 0.641 297 HD21 LEU 41 HD21 LEU 41 -8.954 -14.123 -1.912 298 HD22 LEU 41 HD22 LEU 41 -7.872 -15.249 -1.096 299 HD23 LEU 41 HD23 LEU 41 -7.490 -14.679 -2.722 300 H SER 42 HN SER 42 -7.674 -8.742 -2.410 301 HA SER 42 HA SER 42 -6.721 -8.402 -5.099 302 HB2 SER 42 HB2 SER 42 -8.578 -6.846 -3.361 303 HB3 SER 42 HB1 SER 42 -8.333 -6.500 -5.085 304 HG SER 42 HG SER 42 -9.384 -8.891 -3.907 305 H MET 43 HN MET 43 -6.076 -7.053 -1.929 306 HA MET 43 HA MET 43 -4.793 -4.660 -2.788 307 HB2 MET 43 HB2 MET 43 -5.684 -5.337 -0.433 308 HB3 MET 43 HB1 MET 43 -4.144 -6.151 -0.245 309 HG2 MET 43 HG2 MET 43 -4.503 -3.199 -0.765 310 HG3 MET 43 HG1 MET 43 -4.246 -3.933 0.807 311 HE1 MET 43 HE1 MET 43 -0.558 -5.206 0.487 312 HE2 MET 43 HE2 MET 43 -2.036 -6.110 0.161 313 HE3 MET 43 HE3 MET 43 -1.946 -5.036 1.554 314 H VAL 44 HN VAL 44 -3.957 -7.903 -2.509 315 HA VAL 44 HA VAL 44 -1.145 -7.750 -2.664 316 HB VAL 44 HB VAL 44 -2.843 -9.931 -3.931 317 HG11 VAL 44 HG11 VAL 44 -0.021 -10.023 -2.876 318 HG12 VAL 44 HG12 VAL 44 -0.504 -10.058 -4.571 319 HG13 VAL 44 HG13 VAL 44 -0.929 -11.399 -3.505 320 HG21 VAL 44 HG21 VAL 44 -3.554 -9.626 -1.646 321 HG22 VAL 44 HG22 VAL 44 -1.899 -9.706 -1.067 322 HG23 VAL 44 HG23 VAL 44 -2.655 -11.133 -1.777 323 H GLU 45 HN GLU 45 -3.654 -7.280 -5.016 324 HA GLU 45 HA GLU 45 -1.925 -7.354 -7.306 325 HB2 GLU 45 HB2 GLU 45 -4.759 -6.340 -7.036 326 HB3 GLU 45 HB1 GLU 45 -3.909 -6.623 -8.548 327 HG2 GLU 45 HG2 GLU 45 -4.687 -8.696 -6.516 328 HG3 GLU 45 HG1 GLU 45 -5.421 -8.437 -8.100 329 H VAL 46 HN VAL 46 -2.868 -5.170 -4.935 330 HA VAL 46 HA VAL 46 -2.259 -2.748 -6.357 331 HB VAL 46 HB VAL 46 -2.547 -3.267 -3.376 332 HG11 VAL 46 HG11 VAL 46 -2.793 -0.834 -3.159 333 HG12 VAL 46 HG12 VAL 46 -2.458 -0.650 -4.880 334 HG13 VAL 46 HG13 VAL 46 -1.211 -1.277 -3.803 335 HG21 VAL 46 HG21 VAL 46 -4.505 -2.124 -5.364 336 HG22 VAL 46 HG22 VAL 46 -4.759 -2.221 -3.620 337 HG23 VAL 46 HG23 VAL 46 -4.615 -3.700 -4.576 338 H VAL 47 HN VAL 47 -0.792 -4.585 -3.695 339 HA VAL 47 HA VAL 47 1.528 -3.077 -3.587 340 HB VAL 47 HB VAL 47 0.898 -4.573 -1.739 341 HG11 VAL 47 HG11 VAL 47 0.163 -6.514 -2.966 342 HG12 VAL 47 HG12 VAL 47 1.400 -6.959 -1.789 343 HG13 VAL 47 HG13 VAL 47 1.813 -6.827 -3.501 344 HG21 VAL 47 HG21 VAL 47 3.165 -3.740 -1.835 345 HG22 VAL 47 HG22 VAL 47 3.654 -5.108 -2.828 346 HG23 VAL 47 HG23 VAL 47 3.149 -5.369 -1.154 347 H VAL 48 HN VAL 48 0.850 -5.779 -5.745 348 HA VAL 48 HA VAL 48 3.548 -6.050 -6.565 349 HB VAL 48 HB VAL 48 1.827 -7.809 -7.005 350 HG11 VAL 48 HG11 VAL 48 0.830 -5.965 -9.152 351 HG12 VAL 48 HG12 VAL 48 -0.033 -6.462 -7.695 352 HG13 VAL 48 HG13 VAL 48 0.352 -7.650 -8.943 353 HG21 VAL 48 HG21 VAL 48 2.610 -8.465 -9.243 354 HG22 VAL 48 HG22 VAL 48 3.922 -7.915 -8.202 355 HG23 VAL 48 HG23 VAL 48 3.290 -6.851 -9.459 356 H ALA 49 HN ALA 49 1.058 -3.816 -7.442 357 HA ALA 49 HA ALA 49 2.572 -2.723 -9.660 358 HB1 ALA 49 HB1 ALA 49 0.738 -1.091 -9.807 359 HB2 ALA 49 HB2 ALA 49 0.043 -1.740 -8.322 360 HB3 ALA 49 HB3 ALA 49 0.119 -2.742 -9.770 361 H ALA 50 HN ALA 50 2.174 -2.301 -6.302 362 HA ALA 50 HA ALA 50 3.151 0.357 -6.119 363 HB1 ALA 50 HB1 ALA 50 1.779 -0.654 -4.336 364 HB2 ALA 50 HB2 ALA 50 3.319 -0.052 -3.720 365 HB3 ALA 50 HB3 ALA 50 3.091 -1.782 -3.988 366 H GLU 51 HN GLU 51 4.633 -2.813 -5.969 367 HA GLU 51 HA GLU 51 7.211 -2.098 -5.192 368 HB2 GLU 51 HB2 GLU 51 6.477 -4.193 -7.233 369 HB3 GLU 51 HB1 GLU 51 7.974 -4.105 -6.326 370 HG2 GLU 51 HG2 GLU 51 6.688 -4.458 -4.254 371 HG3 GLU 51 HG1 GLU 51 5.234 -4.628 -5.229 372 H GLU 52 HN GLU 52 5.825 -2.278 -8.438 373 HA GLU 52 HA GLU 52 8.201 -1.334 -9.674 374 HB2 GLU 52 HB2 GLU 52 6.742 -1.115 -11.726 375 HB3 GLU 52 HB1 GLU 52 6.869 -2.721 -11.028 376 HG2 GLU 52 HG2 GLU 52 4.720 -2.609 -10.116 377 HG3 GLU 52 HG1 GLU 52 4.564 -0.885 -10.416 378 H ARG 53 HN ARG 53 5.237 0.229 -8.585 379 HA ARG 53 HA ARG 53 5.780 2.688 -9.886 380 HB2 ARG 53 HB2 ARG 53 3.492 2.120 -9.187 381 HB3 ARG 53 HB1 ARG 53 3.984 2.178 -7.497 382 HG2 ARG 53 HG2 ARG 53 2.859 4.236 -8.121 383 HG3 ARG 53 HG1 ARG 53 4.561 4.554 -7.753 384 HD2 ARG 53 HD2 ARG 53 4.813 4.078 -10.338 385 HD3 ARG 53 HD1 ARG 53 3.133 4.598 -10.351 386 HE ARG 53 HE ARG 53 4.543 6.485 -8.904 387 HH11 ARG 53 HH11 ARG 53 4.418 5.241 -12.224 388 HH12 ARG 53 HH12 ARG 53 5.134 6.598 -12.932 389 HH21 ARG 53 HH21 ARG 53 5.530 8.335 -9.819 390 HH22 ARG 53 HH22 ARG 53 5.787 8.448 -11.512 391 H PHE 54 HN PHE 54 6.201 1.636 -6.515 392 HA PHE 54 HA PHE 54 7.340 4.182 -5.876 393 HB2 PHE 54 HB2 PHE 54 6.795 1.780 -4.150 394 HB3 PHE 54 HB1 PHE 54 7.434 3.314 -3.558 395 HD1 PHE 54 HD2 PHE 54 6.069 5.410 -4.145 396 HD2 PHE 54 HD1 PHE 54 4.544 1.457 -4.247 397 HE1 PHE 54 HE2 PHE 54 3.800 6.287 -3.931 398 HE2 PHE 54 HE1 PHE 54 2.266 2.327 -4.028 399 HZ PHE 54 HZ PHE 54 1.898 4.766 -3.991 400 H ASP 55 HN ASP 55 8.487 1.525 -7.277 401 HA ASP 55 HA ASP 55 10.560 0.854 -7.916 402 HB2 ASP 55 HB2 ASP 55 10.937 3.304 -8.031 403 HB3 ASP 55 HB1 ASP 55 11.520 3.285 -6.376 404 H VAL 56 HN VAL 56 9.397 0.359 -5.122 405 HA VAL 56 HA VAL 56 11.800 -0.779 -3.905 406 HB VAL 56 HB VAL 56 11.083 1.077 -2.512 407 HG11 VAL 56 HG11 VAL 56 8.875 1.215 -1.462 408 HG12 VAL 56 HG12 VAL 56 8.335 -0.162 -2.431 409 HG13 VAL 56 HG13 VAL 56 8.795 1.348 -3.214 410 HG21 VAL 56 HG21 VAL 56 11.882 -0.867 -1.304 411 HG22 VAL 56 HG22 VAL 56 10.249 -1.533 -1.250 412 HG23 VAL 56 HG23 VAL 56 10.624 -0.048 -0.373 413 H LYS 57 HN LYS 57 11.774 -2.862 -3.793 414 HA LYS 57 HA LYS 57 9.511 -4.394 -4.611 415 HB2 LYS 57 HB2 LYS 57 11.732 -5.161 -5.186 416 HB3 LYS 57 HB1 LYS 57 12.203 -5.192 -3.494 417 HG2 LYS 57 HG2 LYS 57 10.659 -7.008 -3.073 418 HG3 LYS 57 HG1 LYS 57 10.100 -6.946 -4.744 419 HD2 LYS 57 HD2 LYS 57 12.308 -7.560 -5.528 420 HD3 LYS 57 HD1 LYS 57 12.922 -7.543 -3.872 421 HE2 LYS 57 HE2 LYS 57 11.399 -9.352 -3.283 422 HE3 LYS 57 HE1 LYS 57 10.755 -9.351 -4.924 423 HZ1 LYS 57 HZ1 LYS 57 13.582 -9.895 -4.221 424 HZ2 LYS 57 HZ2 LYS 57 12.847 -10.056 -5.768 425 HZ3 LYS 57 HZ3 LYS 57 12.401 -11.080 -4.486 426 H ILE 58 HN ILE 58 8.008 -5.274 -3.384 427 HA ILE 58 HA ILE 58 8.394 -5.297 -0.490 428 HB ILE 58 HB ILE 58 5.762 -4.511 -1.797 429 HG12 ILE 58 HG12 ILE 58 7.766 -2.624 -0.524 430 HG13 ILE 58 HG11 ILE 58 7.549 -2.794 -2.259 431 HG21 ILE 58 HG21 ILE 58 5.644 -5.459 0.463 432 HG22 ILE 58 HG22 ILE 58 5.212 -3.752 0.482 433 HG23 ILE 58 HG23 ILE 58 6.808 -4.265 1.033 434 HD11 ILE 58 HD11 ILE 58 6.393 -0.836 -1.411 435 HD12 ILE 58 HD12 ILE 58 5.471 -1.848 -0.299 436 HD13 ILE 58 HD13 ILE 58 5.242 -2.014 -2.040 437 HA PRO 59 HA PRO 59 7.240 -9.459 -1.967 438 HB2 PRO 59 HB2 PRO 59 8.095 -10.117 0.794 439 HB3 PRO 59 HB1 PRO 59 8.634 -10.815 -0.739 440 HG2 PRO 59 HG2 PRO 59 10.224 -9.194 0.660 441 HG3 PRO 59 HG1 PRO 59 10.186 -9.135 -1.112 442 HD2 PRO 59 HD2 PRO 59 8.876 -7.313 0.873 443 HD3 PRO 59 HD1 PRO 59 9.725 -6.908 -0.635 444 H ASP 60 HN ASP 60 5.180 -10.079 -1.841 445 HA ASP 60 HA ASP 60 3.341 -8.928 -0.077 446 HB2 ASP 60 HB2 ASP 60 1.661 -10.449 -0.974 447 HB3 ASP 60 HB1 ASP 60 2.673 -9.857 -2.283 448 H ASP 61 HN ASP 61 5.275 -11.762 0.230 449 HA ASP 61 HA ASP 61 3.950 -13.044 2.350 450 HB2 ASP 61 HB2 ASP 61 5.780 -14.094 1.096 451 HB3 ASP 61 HB1 ASP 61 6.914 -12.919 1.747 452 H ASP 62 HN ASP 62 6.137 -10.280 2.310 453 HA ASP 62 HA ASP 62 6.356 -10.191 5.215 454 HB2 ASP 62 HB2 ASP 62 8.254 -9.464 3.660 455 HB3 ASP 62 HB1 ASP 62 7.272 -8.064 3.245 456 H VAL 63 HN VAL 63 4.643 -8.742 2.620 457 HA VAL 63 HA VAL 63 3.415 -6.552 3.843 458 HB VAL 63 HB VAL 63 2.344 -8.378 1.661 459 HG11 VAL 63 HG11 VAL 63 0.866 -6.548 1.019 460 HG12 VAL 63 HG12 VAL 63 1.398 -5.625 2.426 461 HG13 VAL 63 HG13 VAL 63 0.505 -7.129 2.644 462 HG21 VAL 63 HG21 VAL 63 3.100 -6.627 0.146 463 HG22 VAL 63 HG22 VAL 63 4.424 -7.317 1.084 464 HG23 VAL 63 HG23 VAL 63 3.765 -5.737 1.515 465 H LYS 64 HN LYS 64 2.899 -9.894 4.253 466 HA LYS 64 HA LYS 64 0.208 -9.787 5.227 467 HB2 LYS 64 HB2 LYS 64 2.262 -11.996 5.435 468 HB3 LYS 64 HB1 LYS 64 0.541 -12.158 5.780 469 HG2 LYS 64 HG2 LYS 64 0.001 -11.656 3.480 470 HG3 LYS 64 HG1 LYS 64 1.702 -11.388 3.118 471 HD2 LYS 64 HD2 LYS 64 2.124 -13.769 3.724 472 HD3 LYS 64 HD1 LYS 64 0.375 -13.986 3.882 473 HE2 LYS 64 HE2 LYS 64 0.112 -13.196 1.548 474 HE3 LYS 64 HE1 LYS 64 1.867 -13.129 1.403 475 HZ1 LYS 64 HZ1 LYS 64 1.923 -15.544 1.804 476 HZ2 LYS 64 HZ2 LYS 64 0.967 -15.134 0.454 477 HZ3 LYS 64 HZ3 LYS 64 0.226 -15.552 1.896 478 H ASN 65 HN ASN 65 3.067 -8.780 6.538 479 HA ASN 65 HA ASN 65 2.357 -9.430 9.310 480 HB2 ASN 65 HB2 ASN 65 4.702 -7.846 8.255 481 HB3 ASN 65 HB1 ASN 65 4.458 -8.391 9.899 482 HD21 ASN 65 HD21 ASN 65 6.637 -8.771 8.173 483 HD22 ASN 65 HD22 ASN 65 6.909 -10.452 7.940 484 H LEU 66 HN LEU 66 2.013 -6.958 6.934 485 HA LEU 66 HA LEU 66 2.158 -4.832 8.880 486 HB2 LEU 66 HB2 LEU 66 1.631 -4.720 5.927 487 HB3 LEU 66 HB1 LEU 66 1.862 -3.340 6.979 488 HG LEU 66 HG LEU 66 3.924 -5.391 6.181 489 HD11 LEU 66 HD11 LEU 66 3.657 -2.459 5.779 490 HD12 LEU 66 HD12 LEU 66 3.391 -3.692 4.545 491 HD13 LEU 66 HD13 LEU 66 5.021 -3.426 5.209 492 HD21 LEU 66 HD21 LEU 66 4.200 -3.078 8.104 493 HD22 LEU 66 HD22 LEU 66 5.512 -4.106 7.523 494 HD23 LEU 66 HD23 LEU 66 4.238 -4.787 8.534 495 H LYS 67 HN LYS 67 0.438 -3.193 8.862 496 HA LYS 67 HA LYS 67 -2.185 -4.471 8.518 497 HB2 LYS 67 HB2 LYS 67 -1.364 -2.918 10.965 498 HB3 LYS 67 HB1 LYS 67 -2.925 -3.680 10.687 499 HG2 LYS 67 HG2 LYS 67 -1.862 -5.871 10.639 500 HG3 LYS 67 HG1 LYS 67 -0.293 -5.086 10.872 501 HD2 LYS 67 HD2 LYS 67 -1.170 -6.029 12.992 502 HD3 LYS 67 HD1 LYS 67 -1.066 -4.270 13.076 503 HE2 LYS 67 HE2 LYS 67 -3.446 -4.079 12.636 504 HE3 LYS 67 HE1 LYS 67 -3.573 -5.825 12.440 505 HZ1 LYS 67 HZ1 LYS 67 -2.997 -6.124 14.725 506 HZ2 LYS 67 HZ2 LYS 67 -4.302 -5.053 14.646 507 HZ3 LYS 67 HZ3 LYS 67 -2.750 -4.478 14.974 508 H THR 68 HN THR 68 -0.912 -1.273 9.536 509 HA THR 68 HA THR 68 -3.121 -0.127 8.051 510 HB THR 68 HB THR 68 -2.400 2.028 9.063 511 HG1 THR 68 HG1 THR 68 -0.669 0.477 10.663 512 HG21 THR 68 HG21 THR 68 -2.768 -0.256 11.008 513 HG22 THR 68 HG22 THR 68 -4.065 0.625 10.201 514 HG23 THR 68 HG23 THR 68 -3.039 1.448 11.378 515 H VAL 69 HN VAL 69 -2.487 2.055 6.945 516 HA VAL 69 HA VAL 69 -0.483 1.374 5.008 517 HB VAL 69 HB VAL 69 -1.154 3.372 3.765 518 HG11 VAL 69 HG11 VAL 69 -3.498 2.795 3.338 519 HG12 VAL 69 HG12 VAL 69 -3.498 1.817 4.812 520 HG13 VAL 69 HG13 VAL 69 -2.463 1.370 3.454 521 HG21 VAL 69 HG21 VAL 69 -2.958 4.810 4.549 522 HG22 VAL 69 HG22 VAL 69 -1.569 4.864 5.636 523 HG23 VAL 69 HG23 VAL 69 -2.997 3.926 6.068 524 H GLY 70 HN GLY 70 -0.656 3.150 7.884 525 HA2 GLY 70 HA2 GLY 70 1.639 4.803 7.381 526 HA3 GLY 70 HA1 GLY 70 0.886 4.499 8.948 527 H ASP 71 HN ASP 71 0.903 1.678 8.606 528 HA ASP 71 HA ASP 71 3.551 1.021 9.477 529 HB2 ASP 71 HB2 ASP 71 1.511 -0.021 10.382 530 HB3 ASP 71 HB1 ASP 71 1.158 -0.687 8.801 531 H ALA 72 HN ALA 72 1.697 0.883 6.576 532 HA ALA 72 HA ALA 72 3.398 -0.833 5.060 533 HB1 ALA 72 HB1 ALA 72 1.346 1.165 4.113 534 HB2 ALA 72 HB2 ALA 72 1.039 -0.531 4.492 535 HB3 ALA 72 HB3 ALA 72 2.085 -0.106 3.140 536 H THR 73 HN THR 73 2.905 2.733 5.142 537 HA THR 73 HA THR 73 4.791 3.360 3.273 538 HB THR 73 HB THR 73 4.955 5.560 4.628 539 HG1 THR 73 HG1 THR 73 4.153 5.290 6.547 540 HG21 THR 73 HG21 THR 73 2.778 6.317 3.803 541 HG22 THR 73 HG22 THR 73 2.283 4.642 3.543 542 HG23 THR 73 HG23 THR 73 3.611 5.334 2.605 543 H LYS 74 HN LYS 74 5.126 2.719 6.678 544 HA LYS 74 HA LYS 74 7.685 3.582 7.190 545 HB2 LYS 74 HB2 LYS 74 6.289 2.859 8.964 546 HB3 LYS 74 HB1 LYS 74 6.122 1.255 8.281 547 HG2 LYS 74 HG2 LYS 74 8.345 0.674 8.908 548 HG3 LYS 74 HG1 LYS 74 8.722 2.344 9.333 549 HD2 LYS 74 HD2 LYS 74 8.288 0.889 11.308 550 HD3 LYS 74 HD1 LYS 74 7.212 2.277 11.201 551 HE2 LYS 74 HE2 LYS 74 5.979 0.290 11.864 552 HE3 LYS 74 HE1 LYS 74 5.456 0.838 10.278 553 HZ1 LYS 74 HZ1 LYS 74 5.651 -1.517 10.369 554 HZ2 LYS 74 HZ2 LYS 74 7.314 -1.445 10.782 555 HZ3 LYS 74 HZ3 LYS 74 6.790 -0.952 9.275 556 H TYR 75 HN TYR 75 6.767 0.611 5.550 557 HA TYR 75 HA TYR 75 9.450 -0.443 5.418 558 HB2 TYR 75 HB2 TYR 75 7.438 -1.905 5.304 559 HB3 TYR 75 HB1 TYR 75 6.972 -1.132 3.799 560 HD1 TYR 75 HD2 TYR 75 8.196 -1.622 1.729 561 HD2 TYR 75 HD1 TYR 75 9.202 -3.575 5.368 562 HE1 TYR 75 HE2 TYR 75 9.491 -3.288 0.472 563 HE2 TYR 75 HE1 TYR 75 10.493 -5.248 4.116 564 HH TYR 75 HH TYR 75 10.627 -6.172 1.917 565 H ILE 76 HN ILE 76 7.211 0.958 3.148 566 HA ILE 76 HA ILE 76 8.663 1.079 0.784 567 HB ILE 76 HB ILE 76 6.573 2.932 1.896 568 HG12 ILE 76 HG12 ILE 76 6.280 0.583 0.031 569 HG13 ILE 76 HG11 ILE 76 5.976 0.526 1.767 570 HG21 ILE 76 HG21 ILE 76 6.082 3.482 -0.433 571 HG22 ILE 76 HG22 ILE 76 7.548 2.603 -0.929 572 HG23 ILE 76 HG23 ILE 76 7.662 4.024 0.137 573 HD11 ILE 76 HD11 ILE 76 3.911 0.782 0.533 574 HD12 ILE 76 HD12 ILE 76 4.568 2.255 -0.219 575 HD13 ILE 76 HD13 ILE 76 4.281 2.208 1.521 576 H LEU 77 HN LEU 77 8.314 3.458 3.323 577 HA LEU 77 HA LEU 77 9.426 5.779 2.387 578 HB2 LEU 77 HB2 LEU 77 8.153 5.194 4.410 579 HB3 LEU 77 HB1 LEU 77 9.687 4.676 5.099 580 HG LEU 77 HG LEU 77 10.469 7.092 4.711 581 HD11 LEU 77 HD11 LEU 77 8.698 8.770 4.633 582 HD12 LEU 77 HD12 LEU 77 7.492 7.493 4.479 583 HD13 LEU 77 HD13 LEU 77 8.677 7.747 3.196 584 HD21 LEU 77 HD21 LEU 77 8.271 6.548 6.701 585 HD22 LEU 77 HD22 LEU 77 9.447 7.858 6.799 586 HD23 LEU 77 HD23 LEU 77 9.982 6.178 6.917 587 H ASP 78 HN ASP 78 10.996 2.892 3.367 588 HA ASP 78 HA ASP 78 13.533 3.989 4.108 589 HB2 ASP 78 HB2 ASP 78 12.875 1.736 4.822 590 HB3 ASP 78 HB1 ASP 78 12.887 1.193 3.149 591 H HIS 79 HN HIS 79 12.230 2.735 1.120 592 HA HIS 79 HA HIS 79 14.726 3.514 -0.207 593 HB2 HIS 79 HB2 HIS 79 14.111 1.189 -0.599 594 HB3 HIS 79 HB1 HIS 79 12.543 1.689 -1.223 595 HD1 HIS 79 HD1 HIS 79 16.230 2.144 -2.092 596 HD2 HIS 79 HD2 HIS 79 12.495 2.001 -3.883 597 HE1 HIS 79 HE1 HIS 79 16.648 2.328 -4.566 598 HE2 HIS 79 HE2 HIS 79 14.326 2.363 -5.603 599 H GLN 80 HN GLN 80 11.214 3.656 -0.773 600 HA GLN 80 HA GLN 80 9.868 5.021 -1.911 601 HB2 GLN 80 HB2 GLN 80 12.019 7.057 -1.394 602 HB3 GLN 80 HB1 GLN 80 10.394 7.421 -1.954 603 HG2 GLN 80 HG2 GLN 80 9.489 6.495 0.103 604 HG3 GLN 80 HG1 GLN 80 11.122 6.131 0.645 605 HE21 GLN 80 HE21 GLN 80 9.087 7.926 1.732 606 HE22 GLN 80 HE22 GLN 80 9.865 9.453 1.909 607 H ALA 81 HN ALA 81 9.948 6.919 -3.740 608 HA ALA 81 HA ALA 81 11.755 6.074 -5.841 609 HB1 ALA 81 HB1 ALA 81 9.601 4.962 -6.232 610 HB2 ALA 81 HB2 ALA 81 9.878 6.230 -7.426 611 HB3 ALA 81 HB3 ALA 81 8.773 6.513 -6.083 612 H28 SXO 101 H28B SXO 101 -5.330 -11.062 4.344 613 H28A SXO 101 H28A SXO 101 -5.135 -11.343 2.606 614 H30 SXO 101 H30A SXO 101 -5.049 -12.640 5.835 615 H30A SXO 101 H30C SXO 101 -6.330 -13.591 5.080 616 H30B SXO 101 H30B SXO 101 -4.768 -14.372 5.483 617 H31 SXO 101 H31A SXO 101 -6.091 -14.294 2.792 618 H31A SXO 101 H31B SXO 101 -4.481 -14.996 3.024 619 H31B SXO 101 H31C SXO 101 -4.730 -13.711 1.832 620 H32 SXO 101 H32A SXO 101 -3.011 -12.145 4.827 621 HO33 SXO 101 H33A SXO 101 -2.153 -14.206 3.322 622 HN36 SXO 101 H36A SXO 101 -3.031 -10.460 3.375 623 H37 SXO 101 H37A SXO 101 -1.076 -10.690 1.283 624 H37A SXO 101 H37B SXO 101 -2.685 -10.213 0.729 625 H38 SXO 101 H38B SXO 101 -1.219 -8.290 1.156 626 H38A SXO 101 H38A SXO 101 -1.048 -8.799 2.830 627 HN41 SXO 101 H41A SXO 101 -2.734 -8.490 4.269 628 H42 SXO 101 H42A SXO 101 -4.471 -6.350 3.714 629 H42A SXO 101 H42B SXO 101 -5.347 -7.863 3.854 630 H43 SXO 101 H43B SXO 101 -5.193 -6.632 5.984 631 H43A SXO 101 H43A SXO 101 -4.385 -8.225 6.017 632 H2 SXO 101 H2A SXO 101 -1.087 -4.552 6.062 633 H2A SXO 101 H2B SXO 101 -1.950 -3.073 5.634 634 H3 SXO 101 H3B SXO 101 -0.725 -5.086 3.744 635 H3A SXO 101 H3A SXO 101 -1.622 -3.642 3.250 636 H4 SXO 101 H4A SXO 101 0.850 -3.612 4.984 637 H4A SXO 101 H4B SXO 101 -0.008 -2.213 4.353 638 H5 SXO 101 H5B SXO 101 2.081 -2.723 3.122 639 H5A SXO 101 H5A SXO 101 1.381 -4.263 2.635 640 H6 SXO 101 H6A SXO 101 0.258 -1.535 1.985 641 H6A SXO 101 H6B SXO 101 -0.407 -3.081 1.464 642 H7 SXO 101 H7A SXO 101 0.890 -2.057 -0.343 643 H7A SXO 101 H7B SXO 101 1.675 -3.545 0.216 644 H8 SXO 101 H8C SXO 101 2.409 -0.732 1.025 645 H8A SXO 101 H8A SXO 101 3.298 -1.744 -0.113 646 H8B SXO 101 H8B SXO 101 3.199 -2.205 1.588 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 12.932 8.582 -5.862 2 H2 ALA 1 HT2 ALA 1 13.359 6.948 -5.972 3 H3 ALA 1 HT3 ALA 1 13.578 7.760 -4.511 4 HA ALA 1 HA ALA 1 11.047 7.065 -5.873 5 HB1 ALA 1 HB1 ALA 1 12.194 6.199 -3.228 6 HB2 ALA 1 HB2 ALA 1 12.149 5.231 -4.702 7 HB3 ALA 1 HB3 ALA 1 10.646 5.696 -3.905 8 H ALA 2 HN ALA 2 9.136 7.639 -4.720 9 HA ALA 2 HA ALA 2 9.166 10.367 -3.712 10 HB1 ALA 2 HB1 ALA 2 6.875 8.437 -4.071 11 HB2 ALA 2 HB2 ALA 2 7.468 9.548 -5.305 12 HB3 ALA 2 HB3 ALA 2 6.759 10.181 -3.824 13 H THR 3 HN THR 3 7.834 10.928 -1.712 14 HA THR 3 HA THR 3 8.804 9.048 0.272 15 HB THR 3 HB THR 3 8.071 11.700 1.258 16 HG1 THR 3 HG1 THR 3 8.728 12.387 -0.685 17 HG21 THR 3 HG21 THR 3 9.410 10.054 2.516 18 HG22 THR 3 HG22 THR 3 10.337 11.530 2.226 19 HG23 THR 3 HG23 THR 3 10.629 10.091 1.242 20 H GLN 4 HN GLN 4 7.427 9.854 2.538 21 HA GLN 4 HA GLN 4 5.506 7.934 2.612 22 HB2 GLN 4 HB2 GLN 4 6.491 8.920 4.609 23 HB3 GLN 4 HB1 GLN 4 5.554 10.388 4.353 24 HG2 GLN 4 HG2 GLN 4 3.484 9.111 4.621 25 HG3 GLN 4 HG1 GLN 4 4.428 7.649 4.892 26 HE21 GLN 4 HE21 GLN 4 3.369 10.660 6.189 27 HE22 GLN 4 HE22 GLN 4 3.854 10.373 7.817 28 H GLU 5 HN GLU 5 4.742 11.405 2.259 29 HA GLU 5 HA GLU 5 1.941 10.940 2.260 30 HB2 GLU 5 HB2 GLU 5 3.422 13.303 1.112 31 HB3 GLU 5 HB1 GLU 5 1.721 13.247 1.549 32 HG2 GLU 5 HG2 GLU 5 4.081 13.099 3.401 33 HG3 GLU 5 HG1 GLU 5 2.936 14.425 3.229 34 H GLU 6 HN GLU 6 4.314 11.379 -0.254 35 HA GLU 6 HA GLU 6 2.570 11.240 -2.453 36 HB2 GLU 6 HB2 GLU 6 5.470 10.405 -2.342 37 HB3 GLU 6 HB1 GLU 6 4.555 10.715 -3.804 38 HG2 GLU 6 HG2 GLU 6 5.873 12.606 -3.533 39 HG3 GLU 6 HG1 GLU 6 4.309 13.103 -2.903 40 H ILE 7 HN ILE 7 4.228 8.816 -0.551 41 HA ILE 7 HA ILE 7 3.728 6.594 -2.129 42 HB ILE 7 HB ILE 7 3.882 6.694 0.906 43 HG12 ILE 7 HG12 ILE 7 5.931 7.481 -0.125 44 HG13 ILE 7 HG11 ILE 7 6.200 5.885 0.568 45 HG21 ILE 7 HG21 ILE 7 2.774 4.654 0.181 46 HG22 ILE 7 HG22 ILE 7 4.384 4.290 0.802 47 HG23 ILE 7 HG23 ILE 7 4.095 4.314 -0.939 48 HD11 ILE 7 HD11 ILE 7 5.729 6.494 -2.339 49 HD12 ILE 7 HD12 ILE 7 6.025 4.897 -1.648 50 HD13 ILE 7 HD13 ILE 7 7.283 6.130 -1.590 51 H VAL 8 HN VAL 8 1.958 7.780 0.721 52 HA VAL 8 HA VAL 8 -0.268 6.127 0.714 53 HB VAL 8 HB VAL 8 -0.032 9.053 1.530 54 HG11 VAL 8 HG11 VAL 8 -2.383 8.494 1.139 55 HG12 VAL 8 HG12 VAL 8 -2.057 8.698 2.860 56 HG13 VAL 8 HG13 VAL 8 -2.223 7.078 2.178 57 HG21 VAL 8 HG21 VAL 8 -0.014 6.510 3.129 58 HG22 VAL 8 HG22 VAL 8 0.104 8.139 3.787 59 HG23 VAL 8 HG23 VAL 8 1.401 7.502 2.763 60 H ALA 9 HN ALA 9 0.077 9.281 -0.885 61 HA ALA 9 HA ALA 9 -2.431 9.373 -2.120 62 HB1 ALA 9 HB1 ALA 9 0.155 10.586 -3.051 63 HB2 ALA 9 HB2 ALA 9 -0.956 11.302 -1.882 64 HB3 ALA 9 HB3 ALA 9 -1.460 11.076 -3.562 65 H GLY 10 HN GLY 10 0.544 7.825 -3.102 66 HA2 GLY 10 HA2 GLY 10 -0.338 7.227 -5.769 67 HA3 GLY 10 HA1 GLY 10 1.096 6.578 -4.977 68 H LEU 11 HN LEU 11 -0.133 5.490 -2.708 69 HA LEU 11 HA LEU 11 -0.762 2.900 -3.501 70 HB2 LEU 11 HB2 LEU 11 -1.557 4.331 -0.963 71 HB3 LEU 11 HB1 LEU 11 -1.711 2.607 -1.207 72 HG LEU 11 HG LEU 11 0.902 4.103 -1.249 73 HD11 LEU 11 HD11 LEU 11 -0.110 4.205 0.963 74 HD12 LEU 11 HD12 LEU 11 1.270 3.106 0.973 75 HD13 LEU 11 HD13 LEU 11 -0.372 2.464 0.945 76 HD21 LEU 11 HD21 LEU 11 0.935 2.022 -2.529 77 HD22 LEU 11 HD22 LEU 11 0.277 1.149 -1.146 78 HD23 LEU 11 HD23 LEU 11 1.886 1.863 -1.053 79 H ALA 12 HN ALA 12 -2.903 5.524 -2.591 80 HA ALA 12 HA ALA 12 -5.298 4.087 -2.889 81 HB1 ALA 12 HB1 ALA 12 -5.116 6.148 -1.614 82 HB2 ALA 12 HB2 ALA 12 -6.413 6.144 -2.810 83 HB3 ALA 12 HB3 ALA 12 -4.924 7.052 -3.131 84 H GLU 13 HN GLU 13 -3.233 5.557 -5.252 85 HA GLU 13 HA GLU 13 -5.195 5.838 -7.295 86 HB2 GLU 13 HB2 GLU 13 -2.203 5.512 -7.455 87 HB3 GLU 13 HB1 GLU 13 -3.228 5.786 -8.855 88 HG2 GLU 13 HG2 GLU 13 -2.930 7.641 -6.513 89 HG3 GLU 13 HG1 GLU 13 -2.147 7.824 -8.083 90 H ILE 14 HN ILE 14 -2.980 3.256 -6.412 91 HA ILE 14 HA ILE 14 -3.994 1.613 -8.511 92 HB ILE 14 HB ILE 14 -2.380 0.702 -6.077 93 HG12 ILE 14 HG12 ILE 14 -0.559 0.373 -7.906 94 HG13 ILE 14 HG11 ILE 14 -1.522 1.475 -8.871 95 HG21 ILE 14 HG21 ILE 14 -3.683 -1.089 -7.027 96 HG22 ILE 14 HG22 ILE 14 -1.965 -1.342 -7.374 97 HG23 ILE 14 HG23 ILE 14 -3.048 -0.728 -8.631 98 HD11 ILE 14 HD11 ILE 14 -1.222 3.198 -7.132 99 HD12 ILE 14 HD12 ILE 14 0.304 2.627 -7.814 100 HD13 ILE 14 HD13 ILE 14 -0.210 2.064 -6.230 101 H VAL 15 HN VAL 15 -4.630 1.987 -5.059 102 HA VAL 15 HA VAL 15 -6.441 -0.159 -5.001 103 HB VAL 15 HB VAL 15 -6.413 2.202 -3.064 104 HG11 VAL 15 HG11 VAL 15 -8.493 0.924 -2.983 105 HG12 VAL 15 HG12 VAL 15 -7.535 0.695 -1.522 106 HG13 VAL 15 HG13 VAL 15 -7.569 -0.561 -2.762 107 HG21 VAL 15 HG21 VAL 15 -4.265 1.024 -3.064 108 HG22 VAL 15 HG22 VAL 15 -5.124 -0.507 -2.838 109 HG23 VAL 15 HG23 VAL 15 -5.182 0.720 -1.581 110 H ASN 16 HN ASN 16 -6.791 3.059 -6.127 111 HA ASN 16 HA ASN 16 -9.626 3.142 -6.202 112 HB2 ASN 16 HB2 ASN 16 -8.414 5.224 -6.340 113 HB3 ASN 16 HB1 ASN 16 -7.551 4.686 -7.773 114 HD21 ASN 16 HD21 ASN 16 -10.608 5.845 -6.521 115 HD22 ASN 16 HD22 ASN 16 -11.298 6.227 -8.051 116 H GLU 17 HN GLU 17 -7.174 2.281 -8.622 117 HA GLU 17 HA GLU 17 -9.130 1.735 -10.607 118 HB2 GLU 17 HB2 GLU 17 -7.302 0.682 -11.911 119 HB3 GLU 17 HB1 GLU 17 -6.902 2.288 -11.340 120 HG2 GLU 17 HG2 GLU 17 -5.521 1.323 -9.574 121 HG3 GLU 17 HG1 GLU 17 -5.955 -0.295 -10.122 122 H ILE 18 HN ILE 18 -7.879 -0.076 -8.033 123 HA ILE 18 HA ILE 18 -8.814 -2.607 -9.085 124 HB ILE 18 HB ILE 18 -7.515 -1.838 -6.466 125 HG12 ILE 18 HG12 ILE 18 -6.009 -1.738 -8.370 126 HG13 ILE 18 HG11 ILE 18 -5.582 -3.094 -7.337 127 HG21 ILE 18 HG21 ILE 18 -8.966 -3.724 -6.033 128 HG22 ILE 18 HG22 ILE 18 -7.273 -4.222 -5.987 129 HG23 ILE 18 HG23 ILE 18 -8.263 -4.600 -7.395 130 HD11 ILE 18 HD11 ILE 18 -7.106 -3.250 -9.931 131 HD12 ILE 18 HD12 ILE 18 -6.691 -4.617 -8.896 132 HD13 ILE 18 HD13 ILE 18 -5.413 -3.689 -9.686 133 H ALA 19 HN ALA 19 -9.657 -0.523 -6.242 134 HA ALA 19 HA ALA 19 -12.067 -2.190 -5.951 135 HB1 ALA 19 HB1 ALA 19 -10.486 -2.312 -4.110 136 HB2 ALA 19 HB2 ALA 19 -12.051 -1.661 -3.614 137 HB3 ALA 19 HB3 ALA 19 -10.675 -0.581 -3.841 138 H GLY 20 HN GLY 20 -11.236 0.866 -6.992 139 HA2 GLY 20 HA2 GLY 20 -12.495 2.699 -7.446 140 HA3 GLY 20 HA1 GLY 20 -13.909 1.742 -7.034 141 H ILE 21 HN ILE 21 -11.179 2.711 -5.004 142 HA ILE 21 HA ILE 21 -13.129 3.874 -3.180 143 HB ILE 21 HB ILE 21 -11.175 4.097 -1.573 144 HG12 ILE 21 HG12 ILE 21 -9.301 2.413 -1.958 145 HG13 ILE 21 HG11 ILE 21 -9.803 2.369 -3.639 146 HG21 ILE 21 HG21 ILE 21 -11.232 1.781 -0.869 147 HG22 ILE 21 HG22 ILE 21 -12.009 1.342 -2.397 148 HG23 ILE 21 HG23 ILE 21 -12.822 2.428 -1.265 149 HD11 ILE 21 HD11 ILE 21 -8.738 4.763 -2.143 150 HD12 ILE 21 HD12 ILE 21 -9.270 4.760 -3.826 151 HD13 ILE 21 HD13 ILE 21 -7.880 3.793 -3.345 152 HA PRO 22 HA PRO 22 -11.974 8.056 -4.040 153 HB2 PRO 22 HB2 PRO 22 -12.085 8.598 -1.131 154 HB3 PRO 22 HB1 PRO 22 -13.074 9.285 -2.423 155 HG2 PRO 22 HG2 PRO 22 -14.089 7.544 -0.656 156 HG3 PRO 22 HG1 PRO 22 -14.604 7.554 -2.352 157 HD2 PRO 22 HD2 PRO 22 -12.690 5.724 -0.961 158 HD3 PRO 22 HD1 PRO 22 -13.942 5.344 -2.163 159 H VAL 23 HN VAL 23 -9.989 9.105 -4.097 160 HA VAL 23 HA VAL 23 -7.860 7.621 -2.810 161 HB VAL 23 HB VAL 23 -6.291 8.884 -4.237 162 HG11 VAL 23 HG11 VAL 23 -8.642 7.624 -5.619 163 HG12 VAL 23 HG12 VAL 23 -7.260 6.782 -4.934 164 HG13 VAL 23 HG13 VAL 23 -7.041 7.841 -6.338 165 HG21 VAL 23 HG21 VAL 23 -7.565 10.982 -4.445 166 HG22 VAL 23 HG22 VAL 23 -8.806 10.138 -5.370 167 HG23 VAL 23 HG23 VAL 23 -7.181 10.313 -6.032 168 H GLU 24 HN GLU 24 -9.651 9.719 -1.696 169 HA GLU 24 HA GLU 24 -7.590 11.187 -0.218 170 HB2 GLU 24 HB2 GLU 24 -9.398 12.769 0.295 171 HB3 GLU 24 HB1 GLU 24 -9.128 12.608 -1.437 172 HG2 GLU 24 HG2 GLU 24 -11.046 10.965 -1.448 173 HG3 GLU 24 HG1 GLU 24 -11.381 11.494 0.202 174 H ASP 25 HN ASP 25 -9.509 8.530 -0.156 175 HA ASP 25 HA ASP 25 -10.546 8.654 2.531 176 HB2 ASP 25 HB2 ASP 25 -11.617 7.363 0.613 177 HB3 ASP 25 HB1 ASP 25 -10.241 6.299 0.663 178 H VAL 26 HN VAL 26 -7.983 7.133 0.746 179 HA VAL 26 HA VAL 26 -6.849 5.660 2.938 180 HB VAL 26 HB VAL 26 -5.620 6.359 0.257 181 HG11 VAL 26 HG11 VAL 26 -4.249 4.357 0.616 182 HG12 VAL 26 HG12 VAL 26 -4.987 4.145 2.204 183 HG13 VAL 26 HG13 VAL 26 -3.993 5.563 1.877 184 HG21 VAL 26 HG21 VAL 26 -6.413 4.164 -0.515 185 HG22 VAL 26 HG22 VAL 26 -7.750 5.235 -0.089 186 HG23 VAL 26 HG23 VAL 26 -7.271 3.946 1.011 187 H LYS 27 HN LYS 27 -6.586 7.272 4.472 188 HA LYS 27 HA LYS 27 -4.163 8.845 4.024 189 HB2 LYS 27 HB2 LYS 27 -6.437 9.407 5.956 190 HB3 LYS 27 HB1 LYS 27 -4.915 10.293 5.952 191 HG2 LYS 27 HG2 LYS 27 -6.906 10.170 3.689 192 HG3 LYS 27 HG1 LYS 27 -6.598 11.552 4.749 193 HD2 LYS 27 HD2 LYS 27 -4.353 11.770 3.914 194 HD3 LYS 27 HD1 LYS 27 -4.503 10.276 2.994 195 HE2 LYS 27 HE2 LYS 27 -4.694 12.165 1.516 196 HE3 LYS 27 HE1 LYS 27 -6.242 11.331 1.618 197 HZ1 LYS 27 HZ1 LYS 27 -6.413 13.757 1.683 198 HZ2 LYS 27 HZ2 LYS 27 -5.570 13.803 3.144 199 HZ3 LYS 27 HZ3 LYS 27 -7.078 13.070 3.056 200 H LEU 28 HN LEU 28 -3.174 9.261 6.478 201 HA LEU 28 HA LEU 28 -1.707 6.970 6.777 202 HB2 LEU 28 HB2 LEU 28 -2.018 9.289 8.642 203 HB3 LEU 28 HB1 LEU 28 -0.963 7.952 9.019 204 HG LEU 28 HG LEU 28 0.374 9.690 8.157 205 HD11 LEU 28 HD11 LEU 28 0.011 7.623 6.019 206 HD12 LEU 28 HD12 LEU 28 1.048 7.516 7.442 207 HD13 LEU 28 HD13 LEU 28 1.398 8.701 6.182 208 HD21 LEU 28 HD21 LEU 28 -1.313 11.020 7.017 209 HD22 LEU 28 HD22 LEU 28 -1.440 9.800 5.748 210 HD23 LEU 28 HD23 LEU 28 0.056 10.712 5.947 211 H ASP 29 HN ASP 29 -4.641 7.648 8.548 212 HA ASP 29 HA ASP 29 -4.066 5.484 10.410 213 HB2 ASP 29 HB2 ASP 29 -6.302 7.472 10.260 214 HB3 ASP 29 HB1 ASP 29 -6.391 6.070 11.319 215 H LYS 30 HN LYS 30 -4.911 5.259 7.424 216 HA LYS 30 HA LYS 30 -7.140 3.411 7.728 217 HB2 LYS 30 HB2 LYS 30 -5.698 4.563 5.351 218 HB3 LYS 30 HB1 LYS 30 -6.906 3.296 5.205 219 HG2 LYS 30 HG2 LYS 30 -7.598 5.804 6.659 220 HG3 LYS 30 HG1 LYS 30 -7.558 5.802 4.894 221 HD2 LYS 30 HD2 LYS 30 -9.138 3.956 4.843 222 HD3 LYS 30 HD1 LYS 30 -9.141 3.892 6.604 223 HE2 LYS 30 HE2 LYS 30 -10.291 5.919 6.785 224 HE3 LYS 30 HE1 LYS 30 -9.906 6.377 5.122 225 HZ1 LYS 30 HZ1 LYS 30 -12.246 5.605 5.502 226 HZ2 LYS 30 HZ2 LYS 30 -11.661 4.018 5.690 227 HZ3 LYS 30 HZ3 LYS 30 -11.390 4.886 4.276 228 H SER 31 HN SER 31 -6.916 1.250 7.695 229 HA SER 31 HA SER 31 -4.397 0.071 6.849 230 HB2 SER 31 HB2 SER 31 -4.822 -0.471 9.115 231 HB3 SER 31 HB1 SER 31 -6.522 -0.902 8.821 232 HG SER 31 HG SER 31 -5.775 -2.870 8.457 233 H PHE 32 HN PHE 32 -4.705 -1.983 5.580 234 HA PHE 32 HA PHE 32 -6.339 -1.088 3.436 235 HB2 PHE 32 HB2 PHE 32 -4.485 -3.413 3.698 236 HB3 PHE 32 HB1 PHE 32 -5.452 -3.138 2.255 237 HD1 PHE 32 HD1 PHE 32 -2.827 -1.647 4.402 238 HD2 PHE 32 HD2 PHE 32 -4.793 -1.582 0.632 239 HE1 PHE 32 HE1 PHE 32 -1.086 -0.153 3.525 240 HE2 PHE 32 HE2 PHE 32 -3.056 -0.082 -0.253 241 HZ PHE 32 HZ PHE 32 -1.197 0.628 1.193 242 H THR 33 HN THR 33 -6.759 -3.691 5.697 243 HA THR 33 HA THR 33 -9.211 -4.152 4.213 244 HB THR 33 HB THR 33 -7.702 -5.918 3.709 245 HG1 THR 33 HG1 THR 33 -8.764 -7.759 4.857 246 HG21 THR 33 HG21 THR 33 -7.366 -6.364 6.672 247 HG22 THR 33 HG22 THR 33 -6.155 -5.746 5.547 248 HG23 THR 33 HG23 THR 33 -6.713 -7.415 5.412 249 H ASP 34 HN ASP 34 -8.797 -2.474 6.294 250 HA ASP 34 HA ASP 34 -10.547 -3.605 8.370 251 HB2 ASP 34 HB2 ASP 34 -8.167 -1.810 8.930 252 HB3 ASP 34 HB1 ASP 34 -9.291 -2.432 10.120 253 H ASP 35 HN ASP 35 -8.863 -0.620 7.538 254 HA ASP 35 HA ASP 35 -11.262 0.948 8.057 255 HB2 ASP 35 HB2 ASP 35 -8.535 1.813 7.167 256 HB3 ASP 35 HB1 ASP 35 -9.828 2.872 7.578 257 H LEU 36 HN LEU 36 -9.560 -0.412 5.413 258 HA LEU 36 HA LEU 36 -10.769 1.461 3.613 259 HB2 LEU 36 HB2 LEU 36 -8.753 -0.720 3.159 260 HB3 LEU 36 HB1 LEU 36 -9.476 0.204 1.864 261 HG LEU 36 HG LEU 36 -7.758 1.309 4.073 262 HD11 LEU 36 HD11 LEU 36 -6.543 0.056 2.251 263 HD12 LEU 36 HD12 LEU 36 -6.183 1.778 2.256 264 HD13 LEU 36 HD13 LEU 36 -7.314 1.121 1.079 265 HD21 LEU 36 HD21 LEU 36 -7.942 3.413 2.842 266 HD22 LEU 36 HD22 LEU 36 -9.499 2.830 3.455 267 HD23 LEU 36 HD23 LEU 36 -9.098 2.634 1.749 268 H ASP 37 HN ASP 37 -11.842 0.781 1.833 269 HA ASP 37 HA ASP 37 -13.955 -1.157 2.584 270 HB2 ASP 37 HB2 ASP 37 -13.971 1.126 0.593 271 HB3 ASP 37 HB1 ASP 37 -15.327 0.052 0.884 272 H VAL 38 HN VAL 38 -11.551 -2.158 1.490 273 HA VAL 38 HA VAL 38 -12.260 -2.672 -1.260 274 HB VAL 38 HB VAL 38 -9.963 -3.211 -1.592 275 HG11 VAL 38 HG11 VAL 38 -10.231 -0.674 0.004 276 HG12 VAL 38 HG12 VAL 38 -10.546 -0.868 -1.722 277 HG13 VAL 38 HG13 VAL 38 -8.907 -1.054 -1.097 278 HG21 VAL 38 HG21 VAL 38 -9.443 -4.289 0.525 279 HG22 VAL 38 HG22 VAL 38 -9.547 -2.737 1.358 280 HG23 VAL 38 HG23 VAL 38 -8.265 -3.022 0.178 281 H ASP 39 HN ASP 39 -11.012 -4.881 -1.776 282 HA ASP 39 HA ASP 39 -11.769 -6.923 0.180 283 HB2 ASP 39 HB2 ASP 39 -11.485 -7.051 -2.846 284 HB3 ASP 39 HB1 ASP 39 -11.608 -8.475 -1.827 285 H SER 40 HN SER 40 -10.028 -7.673 1.152 286 HA SER 40 HA SER 40 -7.483 -6.743 0.622 287 HB2 SER 40 HB2 SER 40 -6.769 -8.537 2.204 288 HB3 SER 40 HB1 SER 40 -8.099 -7.458 2.701 289 H LEU 41 HN LEU 41 -9.048 -9.583 -0.555 290 HA LEU 41 HA LEU 41 -6.790 -10.953 -1.527 291 HB2 LEU 41 HB2 LEU 41 -9.640 -11.006 -2.548 292 HB3 LEU 41 HB1 LEU 41 -8.385 -12.057 -3.154 293 HG LEU 41 HG LEU 41 -8.198 -13.064 -0.866 294 HD11 LEU 41 HD11 LEU 41 -10.067 -12.759 0.693 295 HD12 LEU 41 HD12 LEU 41 -10.634 -11.394 -0.268 296 HD13 LEU 41 HD13 LEU 41 -9.059 -11.331 0.539 297 HD21 LEU 41 HD21 LEU 41 -9.485 -14.138 -2.600 298 HD22 LEU 41 HD22 LEU 41 -10.904 -13.186 -2.160 299 HD23 LEU 41 HD23 LEU 41 -10.248 -14.367 -1.026 300 H SER 42 HN SER 42 -8.389 -8.155 -2.647 301 HA SER 42 HA SER 42 -7.422 -8.172 -5.359 302 HB2 SER 42 HB2 SER 42 -8.673 -6.114 -3.622 303 HB3 SER 42 HB1 SER 42 -8.482 -5.957 -5.385 304 HG SER 42 HG SER 42 -9.775 -8.257 -4.500 305 H MET 43 HN MET 43 -6.208 -7.235 -2.232 306 HA MET 43 HA MET 43 -4.761 -4.933 -3.059 307 HB2 MET 43 HB2 MET 43 -5.404 -5.418 -0.657 308 HB3 MET 43 HB1 MET 43 -4.102 -6.607 -0.632 309 HG2 MET 43 HG2 MET 43 -2.573 -4.724 -1.386 310 HG3 MET 43 HG1 MET 43 -3.892 -3.632 -0.988 311 HE1 MET 43 HE1 MET 43 -1.533 -6.209 1.987 312 HE2 MET 43 HE2 MET 43 -1.154 -6.042 0.271 313 HE3 MET 43 HE3 MET 43 -2.599 -6.922 0.778 314 H VAL 44 HN VAL 44 -4.210 -8.224 -3.289 315 HA VAL 44 HA VAL 44 -1.423 -8.428 -3.357 316 HB VAL 44 HB VAL 44 -3.404 -9.952 -5.090 317 HG11 VAL 44 HG11 VAL 44 -1.677 -11.698 -5.186 318 HG12 VAL 44 HG12 VAL 44 -0.578 -10.655 -4.285 319 HG13 VAL 44 HG13 VAL 44 -1.112 -10.190 -5.902 320 HG21 VAL 44 HG21 VAL 44 -3.939 -10.139 -2.716 321 HG22 VAL 44 HG22 VAL 44 -2.285 -10.588 -2.352 322 HG23 VAL 44 HG23 VAL 44 -3.298 -11.670 -3.312 323 H GLU 45 HN GLU 45 -3.657 -7.692 -6.081 324 HA GLU 45 HA GLU 45 -1.635 -7.129 -7.951 325 HB2 GLU 45 HB2 GLU 45 -4.466 -6.124 -7.772 326 HB3 GLU 45 HB1 GLU 45 -3.400 -5.732 -9.107 327 HG2 GLU 45 HG2 GLU 45 -3.182 -8.141 -9.584 328 HG3 GLU 45 HG1 GLU 45 -4.353 -8.464 -8.302 329 H VAL 46 HN VAL 46 -2.978 -5.266 -5.410 330 HA VAL 46 HA VAL 46 -2.095 -2.715 -6.290 331 HB VAL 46 HB VAL 46 -2.808 -3.634 -3.485 332 HG11 VAL 46 HG11 VAL 46 -3.099 -1.245 -2.967 333 HG12 VAL 46 HG12 VAL 46 -2.503 -0.829 -4.572 334 HG13 VAL 46 HG13 VAL 46 -1.434 -1.616 -3.412 335 HG21 VAL 46 HG21 VAL 46 -4.965 -2.531 -3.912 336 HG22 VAL 46 HG22 VAL 46 -4.667 -3.856 -5.040 337 HG23 VAL 46 HG23 VAL 46 -4.449 -2.187 -5.563 338 H VAL 47 HN VAL 47 -0.863 -4.985 -3.829 339 HA VAL 47 HA VAL 47 1.364 -3.397 -3.224 340 HB VAL 47 HB VAL 47 0.582 -5.095 -1.635 341 HG11 VAL 47 HG11 VAL 47 -0.005 -6.900 -3.119 342 HG12 VAL 47 HG12 VAL 47 1.134 -7.464 -1.893 343 HG13 VAL 47 HG13 VAL 47 1.691 -7.142 -3.534 344 HG21 VAL 47 HG21 VAL 47 3.446 -5.494 -2.479 345 HG22 VAL 47 HG22 VAL 47 2.767 -5.963 -0.919 346 HG23 VAL 47 HG23 VAL 47 2.832 -4.260 -1.376 347 H VAL 48 HN VAL 48 1.032 -5.973 -5.637 348 HA VAL 48 HA VAL 48 3.806 -5.915 -6.242 349 HB VAL 48 HB VAL 48 2.398 -7.882 -6.830 350 HG11 VAL 48 HG11 VAL 48 0.989 -7.881 -8.820 351 HG12 VAL 48 HG12 VAL 48 1.217 -6.137 -8.964 352 HG13 VAL 48 HG13 VAL 48 0.385 -6.804 -7.560 353 HG21 VAL 48 HG21 VAL 48 3.781 -6.631 -9.197 354 HG22 VAL 48 HG22 VAL 48 3.352 -8.336 -9.048 355 HG23 VAL 48 HG23 VAL 48 4.530 -7.623 -7.946 356 H ALA 49 HN ALA 49 1.089 -4.037 -7.294 357 HA ALA 49 HA ALA 49 2.486 -2.725 -9.410 358 HB1 ALA 49 HB1 ALA 49 -0.004 -1.881 -7.920 359 HB2 ALA 49 HB2 ALA 49 0.034 -2.838 -9.399 360 HB3 ALA 49 HB3 ALA 49 0.595 -1.166 -9.417 361 H ALA 50 HN ALA 50 2.013 -2.263 -6.011 362 HA ALA 50 HA ALA 50 2.960 0.354 -5.813 363 HB1 ALA 50 HB1 ALA 50 1.794 -0.790 -3.969 364 HB2 ALA 50 HB2 ALA 50 3.343 -0.137 -3.433 365 HB3 ALA 50 HB3 ALA 50 3.176 -1.862 -3.761 366 H GLU 51 HN GLU 51 4.640 -2.759 -5.753 367 HA GLU 51 HA GLU 51 7.208 -1.923 -5.219 368 HB2 GLU 51 HB2 GLU 51 6.420 -4.072 -7.184 369 HB3 GLU 51 HB1 GLU 51 7.967 -3.911 -6.363 370 HG2 GLU 51 HG2 GLU 51 6.720 -4.164 -4.207 371 HG3 GLU 51 HG1 GLU 51 5.308 -4.558 -5.169 372 H GLU 52 HN GLU 52 5.706 -2.277 -8.414 373 HA GLU 52 HA GLU 52 7.948 -1.265 -9.817 374 HB2 GLU 52 HB2 GLU 52 6.379 -1.129 -11.779 375 HB3 GLU 52 HB1 GLU 52 6.486 -2.710 -11.021 376 HG2 GLU 52 HG2 GLU 52 4.389 -2.482 -10.008 377 HG3 GLU 52 HG1 GLU 52 4.311 -0.760 -10.331 378 H ARG 53 HN ARG 53 4.937 0.264 -8.764 379 HA ARG 53 HA ARG 53 5.468 2.683 -10.202 380 HB2 ARG 53 HB2 ARG 53 3.446 2.208 -8.006 381 HB3 ARG 53 HB1 ARG 53 3.451 3.574 -9.100 382 HG2 ARG 53 HG2 ARG 53 3.035 0.687 -9.888 383 HG3 ARG 53 HG1 ARG 53 1.761 1.879 -9.682 384 HD2 ARG 53 HD2 ARG 53 2.523 3.113 -11.585 385 HD3 ARG 53 HD1 ARG 53 3.999 2.150 -11.688 386 HE ARG 53 HE ARG 53 2.678 0.265 -12.361 387 HH11 ARG 53 HH11 ARG 53 1.017 3.402 -12.634 388 HH12 ARG 53 HH12 ARG 53 -0.266 2.770 -13.572 389 HH21 ARG 53 HH21 ARG 53 0.980 -0.534 -13.751 390 HH22 ARG 53 HH22 ARG 53 -0.191 0.543 -14.345 391 H PHE 54 HN PHE 54 5.980 1.649 -6.830 392 HA PHE 54 HA PHE 54 6.753 4.359 -6.177 393 HB2 PHE 54 HB2 PHE 54 6.338 1.979 -4.399 394 HB3 PHE 54 HB1 PHE 54 6.899 3.552 -3.830 395 HD1 PHE 54 HD2 PHE 54 5.448 5.561 -4.482 396 HD2 PHE 54 HD1 PHE 54 4.114 1.541 -4.501 397 HE1 PHE 54 HE2 PHE 54 3.137 6.334 -4.316 398 HE2 PHE 54 HE1 PHE 54 1.799 2.305 -4.334 399 HZ PHE 54 HZ PHE 54 1.315 4.713 -4.318 400 H ASP 55 HN ASP 55 8.305 1.723 -7.353 401 HA ASP 55 HA ASP 55 10.524 1.281 -7.743 402 HB2 ASP 55 HB2 ASP 55 11.146 3.823 -6.190 403 HB3 ASP 55 HB1 ASP 55 12.244 2.956 -7.251 404 H VAL 56 HN VAL 56 9.169 0.214 -5.490 405 HA VAL 56 HA VAL 56 11.470 -0.472 -3.881 406 HB VAL 56 HB VAL 56 10.552 1.321 -2.597 407 HG11 VAL 56 HG11 VAL 56 8.231 1.367 -3.435 408 HG12 VAL 56 HG12 VAL 56 8.266 1.295 -1.668 409 HG13 VAL 56 HG13 VAL 56 7.914 -0.157 -2.593 410 HG21 VAL 56 HG21 VAL 56 10.031 0.174 -0.478 411 HG22 VAL 56 HG22 VAL 56 11.405 -0.539 -1.331 412 HG23 VAL 56 HG23 VAL 56 9.824 -1.324 -1.386 413 H LYS 57 HN LYS 57 11.556 -2.559 -4.064 414 HA LYS 57 HA LYS 57 9.111 -3.995 -4.428 415 HB2 LYS 57 HB2 LYS 57 11.960 -4.920 -4.463 416 HB3 LYS 57 HB1 LYS 57 10.625 -6.071 -4.429 417 HG2 LYS 57 HG2 LYS 57 9.696 -4.929 -6.448 418 HG3 LYS 57 HG1 LYS 57 11.184 -3.991 -6.527 419 HD2 LYS 57 HD2 LYS 57 11.220 -5.917 -8.038 420 HD3 LYS 57 HD1 LYS 57 12.477 -6.016 -6.810 421 HE2 LYS 57 HE2 LYS 57 11.354 -8.183 -7.206 422 HE3 LYS 57 HE1 LYS 57 11.184 -7.619 -5.550 423 HZ1 LYS 57 HZ1 LYS 57 9.039 -7.249 -7.608 424 HZ2 LYS 57 HZ2 LYS 57 8.901 -7.057 -5.942 425 HZ3 LYS 57 HZ3 LYS 57 9.169 -8.582 -6.597 426 H ILE 58 HN ILE 58 8.115 -5.286 -3.175 427 HA ILE 58 HA ILE 58 8.855 -5.226 -0.332 428 HB ILE 58 HB ILE 58 6.071 -4.696 -1.443 429 HG12 ILE 58 HG12 ILE 58 7.950 -2.689 -0.172 430 HG13 ILE 58 HG11 ILE 58 7.725 -2.844 -1.906 431 HG21 ILE 58 HG21 ILE 58 6.097 -5.729 0.768 432 HG22 ILE 58 HG22 ILE 58 5.545 -4.056 0.867 433 HG23 ILE 58 HG23 ILE 58 7.188 -4.471 1.355 434 HD11 ILE 58 HD11 ILE 58 6.434 -1.003 -0.995 435 HD12 ILE 58 HD12 ILE 58 5.595 -2.115 0.092 436 HD13 ILE 58 HD13 ILE 58 5.379 -2.251 -1.652 437 HA PRO 59 HA PRO 59 8.105 -9.593 -1.411 438 HB2 PRO 59 HB2 PRO 59 8.809 -9.826 1.467 439 HB3 PRO 59 HB1 PRO 59 9.455 -10.707 0.079 440 HG2 PRO 59 HG2 PRO 59 10.899 -8.820 1.241 441 HG3 PRO 59 HG1 PRO 59 10.870 -8.969 -0.530 442 HD2 PRO 59 HD2 PRO 59 9.422 -7.030 1.230 443 HD3 PRO 59 HD1 PRO 59 10.256 -6.744 -0.315 444 H ASP 60 HN ASP 60 6.186 -10.417 -1.426 445 HA ASP 60 HA ASP 60 3.977 -9.385 -0.117 446 HB2 ASP 60 HB2 ASP 60 2.700 -11.353 -1.003 447 HB3 ASP 60 HB1 ASP 60 3.638 -10.478 -2.201 448 H ASP 61 HN ASP 61 6.036 -11.940 0.999 449 HA ASP 61 HA ASP 61 4.249 -12.955 2.964 450 HB2 ASP 61 HB2 ASP 61 6.126 -14.320 2.382 451 HB3 ASP 61 HB1 ASP 61 7.263 -13.043 2.799 452 H ASP 62 HN ASP 62 6.563 -10.328 2.984 453 HA ASP 62 HA ASP 62 6.389 -9.900 5.836 454 HB2 ASP 62 HB2 ASP 62 8.420 -9.287 4.527 455 HB3 ASP 62 HB1 ASP 62 7.485 -8.050 3.698 456 H VAL 63 HN VAL 63 4.991 -8.656 2.970 457 HA VAL 63 HA VAL 63 3.674 -6.340 3.637 458 HB VAL 63 HB VAL 63 2.694 -8.611 1.880 459 HG11 VAL 63 HG11 VAL 63 1.283 -6.960 0.766 460 HG12 VAL 63 HG12 VAL 63 1.768 -5.744 1.950 461 HG13 VAL 63 HG13 VAL 63 0.831 -7.148 2.461 462 HG21 VAL 63 HG21 VAL 63 4.830 -7.705 1.202 463 HG22 VAL 63 HG22 VAL 63 4.160 -6.074 1.229 464 HG23 VAL 63 HG23 VAL 63 3.570 -7.254 0.055 465 H LYS 64 HN LYS 64 2.512 -9.655 4.037 466 HA LYS 64 HA LYS 64 -0.099 -8.990 4.884 467 HB2 LYS 64 HB2 LYS 64 1.424 -11.552 5.300 468 HB3 LYS 64 HB1 LYS 64 -0.311 -11.351 5.462 469 HG2 LYS 64 HG2 LYS 64 -0.472 -10.826 3.083 470 HG3 LYS 64 HG1 LYS 64 1.278 -11.027 2.927 471 HD2 LYS 64 HD2 LYS 64 1.069 -13.338 3.706 472 HD3 LYS 64 HD1 LYS 64 -0.679 -13.133 3.822 473 HE2 LYS 64 HE2 LYS 64 -0.747 -12.685 1.394 474 HE3 LYS 64 HE1 LYS 64 0.993 -12.983 1.315 475 HZ1 LYS 64 HZ1 LYS 64 -1.081 -14.918 2.166 476 HZ2 LYS 64 HZ2 LYS 64 0.572 -15.218 2.185 477 HZ3 LYS 64 HZ3 LYS 64 -0.229 -14.998 0.712 478 H ASN 65 HN ASN 65 2.798 -8.834 6.499 479 HA ASN 65 HA ASN 65 1.630 -9.381 9.092 480 HB2 ASN 65 HB2 ASN 65 4.454 -8.969 8.173 481 HB3 ASN 65 HB1 ASN 65 4.016 -9.021 9.877 482 HD21 ASN 65 HD21 ASN 65 3.394 -10.957 10.772 483 HD22 ASN 65 HD22 ASN 65 3.561 -12.483 9.967 484 H LEU 66 HN LEU 66 2.020 -6.808 7.051 485 HA LEU 66 HA LEU 66 2.235 -4.819 9.179 486 HB2 LEU 66 HB2 LEU 66 1.945 -4.522 6.177 487 HB3 LEU 66 HB1 LEU 66 2.096 -3.189 7.299 488 HG LEU 66 HG LEU 66 4.229 -5.271 6.814 489 HD11 LEU 66 HD11 LEU 66 3.859 -3.875 4.849 490 HD12 LEU 66 HD12 LEU 66 5.393 -3.477 5.629 491 HD13 LEU 66 HD13 LEU 66 3.992 -2.426 5.846 492 HD21 LEU 66 HD21 LEU 66 5.661 -3.718 8.054 493 HD22 LEU 66 HD22 LEU 66 4.314 -4.276 9.049 494 HD23 LEU 66 HD23 LEU 66 4.276 -2.664 8.336 495 H LYS 67 HN LYS 67 0.486 -2.892 8.512 496 HA LYS 67 HA LYS 67 -2.039 -4.051 7.897 497 HB2 LYS 67 HB2 LYS 67 -3.106 -3.199 10.065 498 HB3 LYS 67 HB1 LYS 67 -2.226 -4.715 10.097 499 HG2 LYS 67 HG2 LYS 67 -0.270 -3.440 10.990 500 HG3 LYS 67 HG1 LYS 67 -1.340 -2.045 11.134 501 HD2 LYS 67 HD2 LYS 67 -2.824 -3.302 12.588 502 HD3 LYS 67 HD1 LYS 67 -1.797 -4.727 12.427 503 HE2 LYS 67 HE2 LYS 67 0.060 -3.466 13.447 504 HE3 LYS 67 HE1 LYS 67 -1.021 -2.089 13.662 505 HZ1 LYS 67 HZ1 LYS 67 -0.924 -3.321 15.702 506 HZ2 LYS 67 HZ2 LYS 67 -1.268 -4.765 14.881 507 HZ3 LYS 67 HZ3 LYS 67 -2.455 -3.575 14.999 508 H THR 68 HN THR 68 -1.063 -1.002 9.508 509 HA THR 68 HA THR 68 -3.055 0.257 7.854 510 HB THR 68 HB THR 68 -2.471 2.352 8.996 511 HG1 THR 68 HG1 THR 68 -0.484 0.751 10.243 512 HG21 THR 68 HG21 THR 68 -2.923 1.623 11.344 513 HG22 THR 68 HG22 THR 68 -2.689 -0.050 10.802 514 HG23 THR 68 HG23 THR 68 -4.014 0.915 10.153 515 H VAL 69 HN VAL 69 -2.455 2.322 6.701 516 HA VAL 69 HA VAL 69 -0.337 1.768 4.898 517 HB VAL 69 HB VAL 69 -0.830 3.936 3.830 518 HG11 VAL 69 HG11 VAL 69 -3.315 2.391 4.520 519 HG12 VAL 69 HG12 VAL 69 -2.188 2.032 3.210 520 HG13 VAL 69 HG13 VAL 69 -3.144 3.513 3.173 521 HG21 VAL 69 HG21 VAL 69 -1.307 5.243 5.827 522 HG22 VAL 69 HG22 VAL 69 -2.796 4.323 6.068 523 HG23 VAL 69 HG23 VAL 69 -2.624 5.362 4.658 524 H GLY 70 HN GLY 70 -0.489 3.178 7.914 525 HA2 GLY 70 HA2 GLY 70 1.838 4.848 7.686 526 HA3 GLY 70 HA1 GLY 70 1.041 4.352 9.181 527 H ASP 71 HN ASP 71 1.050 1.585 8.727 528 HA ASP 71 HA ASP 71 3.715 0.923 9.576 529 HB2 ASP 71 HB2 ASP 71 1.542 -0.996 8.662 530 HB3 ASP 71 HB1 ASP 71 2.994 -1.428 9.550 531 H ALA 72 HN ALA 72 1.926 0.855 6.650 532 HA ALA 72 HA ALA 72 3.655 -0.786 5.133 533 HB1 ALA 72 HB1 ALA 72 1.640 1.269 4.219 534 HB2 ALA 72 HB2 ALA 72 1.316 -0.440 4.514 535 HB3 ALA 72 HB3 ALA 72 2.395 0.038 3.204 536 H THR 73 HN THR 73 3.114 2.747 5.226 537 HA THR 73 HA THR 73 5.076 3.397 3.426 538 HB THR 73 HB THR 73 5.079 5.655 4.654 539 HG1 THR 73 HG1 THR 73 2.719 4.720 5.837 540 HG21 THR 73 HG21 THR 73 2.890 6.257 3.713 541 HG22 THR 73 HG22 THR 73 2.503 4.543 3.545 542 HG23 THR 73 HG23 THR 73 3.817 5.246 2.605 543 H LYS 74 HN LYS 74 5.278 2.977 6.905 544 HA LYS 74 HA LYS 74 7.834 3.872 7.411 545 HB2 LYS 74 HB2 LYS 74 6.223 3.164 9.139 546 HB3 LYS 74 HB1 LYS 74 6.433 1.492 8.649 547 HG2 LYS 74 HG2 LYS 74 7.665 2.025 10.701 548 HG3 LYS 74 HG1 LYS 74 8.745 1.538 9.391 549 HD2 LYS 74 HD2 LYS 74 9.639 3.459 10.613 550 HD3 LYS 74 HD1 LYS 74 9.265 3.886 8.943 551 HE2 LYS 74 HE2 LYS 74 7.100 4.830 9.744 552 HE3 LYS 74 HE1 LYS 74 7.631 4.517 11.398 553 HZ1 LYS 74 HZ1 LYS 74 9.524 5.992 11.012 554 HZ2 LYS 74 HZ2 LYS 74 8.051 6.786 10.760 555 HZ3 LYS 74 HZ3 LYS 74 8.960 6.303 9.436 556 H TYR 75 HN TYR 75 6.825 0.672 6.270 557 HA TYR 75 HA TYR 75 9.494 -0.362 6.126 558 HB2 TYR 75 HB2 TYR 75 7.605 -1.903 6.369 559 HB3 TYR 75 HB1 TYR 75 6.912 -1.332 4.856 560 HD1 TYR 75 HD2 TYR 75 7.894 -2.009 2.703 561 HD2 TYR 75 HD1 TYR 75 9.461 -3.467 6.380 562 HE1 TYR 75 HE2 TYR 75 9.116 -3.726 1.474 563 HE2 TYR 75 HE1 TYR 75 10.692 -5.214 5.161 564 HH TYR 75 HH TYR 75 11.077 -5.180 1.773 565 H ILE 76 HN ILE 76 7.171 0.872 3.815 566 HA ILE 76 HA ILE 76 8.477 0.460 1.415 567 HB ILE 76 HB ILE 76 6.589 2.663 2.255 568 HG12 ILE 76 HG12 ILE 76 6.142 0.175 0.609 569 HG13 ILE 76 HG11 ILE 76 5.783 0.321 2.325 570 HG21 ILE 76 HG21 ILE 76 7.484 1.960 -0.545 571 HG22 ILE 76 HG22 ILE 76 7.846 3.453 0.326 572 HG23 ILE 76 HG23 ILE 76 6.186 3.082 -0.131 573 HD11 ILE 76 HD11 ILE 76 3.786 0.588 0.987 574 HD12 ILE 76 HD12 ILE 76 4.559 1.935 0.126 575 HD13 ILE 76 HD13 ILE 76 4.210 2.073 1.851 576 H LEU 77 HN LEU 77 8.446 3.601 3.160 577 HA LEU 77 HA LEU 77 10.372 4.648 1.391 578 HB2 LEU 77 HB2 LEU 77 10.481 6.626 2.910 579 HB3 LEU 77 HB1 LEU 77 8.892 6.229 2.314 580 HG LEU 77 HG LEU 77 8.428 5.173 4.565 581 HD11 LEU 77 HD11 LEU 77 9.767 5.886 6.466 582 HD12 LEU 77 HD12 LEU 77 10.935 6.627 5.369 583 HD13 LEU 77 HD13 LEU 77 10.700 4.878 5.358 584 HD21 LEU 77 HD21 LEU 77 7.987 7.319 5.630 585 HD22 LEU 77 HD22 LEU 77 7.557 7.313 3.916 586 HD23 LEU 77 HD23 LEU 77 9.036 8.108 4.451 587 H ASP 78 HN ASP 78 10.699 2.793 4.160 588 HA ASP 78 HA ASP 78 13.390 3.658 4.751 589 HB2 ASP 78 HB2 ASP 78 12.029 2.651 6.534 590 HB3 ASP 78 HB1 ASP 78 11.972 1.134 5.642 591 H HIS 79 HN HIS 79 11.906 1.369 2.697 592 HA HIS 79 HA HIS 79 14.448 0.067 2.088 593 HB2 HIS 79 HB2 HIS 79 12.268 -1.208 2.450 594 HB3 HIS 79 HB1 HIS 79 11.705 -0.520 0.939 595 HD1 HIS 79 HD1 HIS 79 13.759 -3.220 2.367 596 HD2 HIS 79 HD2 HIS 79 13.072 -1.578 -1.388 597 HE1 HIS 79 HE1 HIS 79 14.594 -4.912 0.716 598 HE2 HIS 79 HE2 HIS 79 13.792 -4.043 -1.484 599 H GLN 80 HN GLN 80 12.755 2.758 1.129 600 HA GLN 80 HA GLN 80 13.392 2.590 -1.707 601 HB2 GLN 80 HB2 GLN 80 12.004 4.715 -0.108 602 HB3 GLN 80 HB1 GLN 80 12.336 4.825 -1.824 603 HG2 GLN 80 HG2 GLN 80 10.945 2.828 -2.172 604 HG3 GLN 80 HG1 GLN 80 10.559 2.844 -0.448 605 HE21 GLN 80 HE21 GLN 80 10.585 5.816 -0.387 606 HE22 GLN 80 HE22 GLN 80 9.140 6.285 -1.166 607 H ALA 81 HN ALA 81 14.385 4.396 -2.735 608 HA ALA 81 HA ALA 81 16.493 5.633 -1.125 609 HB1 ALA 81 HB1 ALA 81 17.708 5.883 -3.259 610 HB2 ALA 81 HB2 ALA 81 16.373 5.105 -4.105 611 HB3 ALA 81 HB3 ALA 81 17.329 4.192 -2.934 612 H28 SXO 101 H28B SXO 101 -6.582 -11.353 3.976 613 H28A SXO 101 H28A SXO 101 -7.076 -11.404 2.282 614 H30 SXO 101 H30A SXO 101 -6.758 -14.744 4.815 615 H30A SXO 101 H30C SXO 101 -6.063 -13.147 5.119 616 H30B SXO 101 H30B SXO 101 -7.803 -13.388 5.275 617 H31 SXO 101 H31A SXO 101 -8.417 -13.680 1.667 618 H31A SXO 101 H31B SXO 101 -9.165 -13.734 3.263 619 H31B SXO 101 H31C SXO 101 -8.142 -15.076 2.722 620 H32 SXO 101 H32A SXO 101 -4.914 -13.512 3.155 621 HO33 SXO 101 H33A SXO 101 -6.321 -15.128 1.340 622 HN36 SXO 101 H36A SXO 101 -4.573 -11.622 2.202 623 H37 SXO 101 H37A SXO 101 -4.289 -11.527 -0.611 624 H37A SXO 101 H37B SXO 101 -5.539 -10.406 -0.051 625 H38 SXO 101 H38B SXO 101 -3.260 -9.441 -0.298 626 H38A SXO 101 H38A SXO 101 -2.686 -10.500 0.962 627 HN41 SXO 101 H41A SXO 101 -3.021 -9.948 3.039 628 H42 SXO 101 H42A SXO 101 -3.277 -7.343 3.681 629 H42A SXO 101 H42B SXO 101 -4.809 -7.971 4.179 630 H43 SXO 101 H43B SXO 101 -3.521 -9.425 5.775 631 H43A SXO 101 H43A SXO 101 -2.059 -9.099 4.798 632 H2 SXO 101 H2A SXO 101 -1.730 -4.587 6.040 633 H2A SXO 101 H2B SXO 101 -2.920 -4.738 4.790 634 H3 SXO 101 H3B SXO 101 -1.330 -4.334 3.044 635 H3A SXO 101 H3A SXO 101 -1.373 -3.009 4.194 636 H4 SXO 101 H4A SXO 101 0.732 -5.146 3.934 637 H4A SXO 101 H4B SXO 101 0.680 -3.961 5.243 638 H5 SXO 101 H5B SXO 101 0.867 -2.141 3.634 639 H5A SXO 101 H5A SXO 101 2.206 -3.271 3.434 640 H6 SXO 101 H6A SXO 101 -0.299 -3.221 1.740 641 H6A SXO 101 H6B SXO 101 1.089 -4.282 1.511 642 H7 SXO 101 H7A SXO 101 1.175 -1.264 1.310 643 H7A SXO 101 H7B SXO 101 1.116 -2.382 -0.065 644 H8 SXO 101 H8C SXO 101 3.282 -2.243 2.030 645 H8A SXO 101 H8A SXO 101 3.397 -1.639 0.376 646 H8B SXO 101 H8B SXO 101 3.232 -3.372 0.675 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 10.462 7.191 -5.364 2 H2 ALA 1 HT2 ALA 1 12.087 6.726 -5.530 3 H3 ALA 1 HT3 ALA 1 11.636 8.350 -5.712 4 HA ALA 1 HA ALA 1 11.377 6.797 -3.245 5 HB1 ALA 1 HB1 ALA 1 13.698 7.288 -3.756 6 HB2 ALA 1 HB2 ALA 1 13.126 8.238 -2.383 7 HB3 ALA 1 HB3 ALA 1 13.304 9.000 -3.968 8 H ALA 2 HN ALA 2 9.544 7.557 -2.382 9 HA ALA 2 HA ALA 2 9.036 10.445 -2.317 10 HB1 ALA 2 HB1 ALA 2 7.531 9.412 -3.974 11 HB2 ALA 2 HB2 ALA 2 6.636 9.998 -2.576 12 HB3 ALA 2 HB3 ALA 2 6.967 8.274 -2.749 13 H THR 3 HN THR 3 7.356 10.897 -0.451 14 HA THR 3 HA THR 3 8.280 9.220 1.721 15 HB THR 3 HB THR 3 7.247 12.065 1.948 16 HG1 THR 3 HG1 THR 3 9.000 12.024 0.518 17 HG21 THR 3 HG21 THR 3 9.040 10.342 3.665 18 HG22 THR 3 HG22 THR 3 7.411 10.962 4.068 19 HG23 THR 3 HG23 THR 3 8.768 12.068 3.921 20 H GLN 4 HN GLN 4 6.655 9.393 3.682 21 HA GLN 4 HA GLN 4 4.730 7.597 3.281 22 HB2 GLN 4 HB2 GLN 4 3.689 8.354 5.419 23 HB3 GLN 4 HB1 GLN 4 5.419 8.049 5.470 24 HG2 GLN 4 HG2 GLN 4 5.875 10.421 5.423 25 HG3 GLN 4 HG1 GLN 4 4.158 10.774 5.231 26 HE21 GLN 4 HE21 GLN 4 2.833 10.660 6.978 27 HE22 GLN 4 HE22 GLN 4 3.383 10.433 8.594 28 H GLU 5 HN GLU 5 4.037 11.086 3.106 29 HA GLU 5 HA GLU 5 1.232 10.765 2.895 30 HB2 GLU 5 HB2 GLU 5 2.458 12.862 3.511 31 HB3 GLU 5 HB1 GLU 5 2.962 12.999 1.835 32 HG2 GLU 5 HG2 GLU 5 1.124 14.456 2.230 33 HG3 GLU 5 HG1 GLU 5 0.617 13.123 1.184 34 H GLU 6 HN GLU 6 3.720 11.454 0.487 35 HA GLU 6 HA GLU 6 2.148 11.191 -1.808 36 HB2 GLU 6 HB2 GLU 6 5.077 10.527 -1.601 37 HB3 GLU 6 HB1 GLU 6 4.230 10.991 -3.058 38 HG2 GLU 6 HG2 GLU 6 5.343 12.922 -2.528 39 HG3 GLU 6 HG1 GLU 6 3.801 13.207 -1.720 40 H ILE 7 HN ILE 7 3.884 8.847 0.104 41 HA ILE 7 HA ILE 7 3.723 6.686 -1.601 42 HB ILE 7 HB ILE 7 3.730 6.666 1.431 43 HG12 ILE 7 HG12 ILE 7 5.759 7.586 0.493 44 HG13 ILE 7 HG11 ILE 7 6.101 5.979 1.123 45 HG21 ILE 7 HG21 ILE 7 4.370 4.298 1.299 46 HG22 ILE 7 HG22 ILE 7 4.116 4.332 -0.446 47 HG23 ILE 7 HG23 ILE 7 2.757 4.579 0.646 48 HD11 ILE 7 HD11 ILE 7 7.224 6.358 -1.007 49 HD12 ILE 7 HD12 ILE 7 5.679 6.693 -1.774 50 HD13 ILE 7 HD13 ILE 7 6.025 5.086 -1.157 51 H VAL 8 HN VAL 8 1.569 7.549 1.123 52 HA VAL 8 HA VAL 8 -0.354 5.566 0.667 53 HB VAL 8 HB VAL 8 -0.686 8.267 2.026 54 HG11 VAL 8 HG11 VAL 8 -2.860 7.356 1.344 55 HG12 VAL 8 HG12 VAL 8 -2.655 7.305 3.095 56 HG13 VAL 8 HG13 VAL 8 -2.463 5.835 2.141 57 HG21 VAL 8 HG21 VAL 8 -0.213 5.510 3.122 58 HG22 VAL 8 HG22 VAL 8 -0.459 6.976 4.073 59 HG23 VAL 8 HG23 VAL 8 0.966 6.818 3.047 60 H ALA 9 HN ALA 9 -0.107 8.830 -0.628 61 HA ALA 9 HA ALA 9 -2.554 8.837 -2.025 62 HB1 ALA 9 HB1 ALA 9 0.025 10.244 -2.725 63 HB2 ALA 9 HB2 ALA 9 -1.225 10.866 -1.648 64 HB3 ALA 9 HB3 ALA 9 -1.572 10.637 -3.362 65 H GLY 10 HN GLY 10 0.642 7.629 -2.838 66 HA2 GLY 10 HA2 GLY 10 0.051 6.955 -5.544 67 HA3 GLY 10 HA1 GLY 10 1.428 6.387 -4.603 68 H LEU 11 HN LEU 11 -0.324 5.379 -2.491 69 HA LEU 11 HA LEU 11 -0.798 2.767 -3.455 70 HB2 LEU 11 HB2 LEU 11 -1.868 4.162 -0.995 71 HB3 LEU 11 HB1 LEU 11 -2.059 2.454 -1.318 72 HG LEU 11 HG LEU 11 0.596 3.835 -0.926 73 HD11 LEU 11 HD11 LEU 11 -0.728 3.855 1.125 74 HD12 LEU 11 HD12 LEU 11 0.613 2.715 1.255 75 HD13 LEU 11 HD13 LEU 11 -1.021 2.125 0.961 76 HD21 LEU 11 HD21 LEU 11 1.456 1.556 -0.742 77 HD22 LEU 11 HD22 LEU 11 0.711 1.835 -2.317 78 HD23 LEU 11 HD23 LEU 11 -0.153 0.917 -1.083 79 H ALA 12 HN ALA 12 -2.860 5.520 -2.829 80 HA ALA 12 HA ALA 12 -5.319 4.275 -3.323 81 HB1 ALA 12 HB1 ALA 12 -4.680 7.193 -3.580 82 HB2 ALA 12 HB2 ALA 12 -5.090 6.337 -2.080 83 HB3 ALA 12 HB3 ALA 12 -6.270 6.444 -3.389 84 H GLU 13 HN GLU 13 -3.010 5.635 -5.615 85 HA GLU 13 HA GLU 13 -4.955 5.838 -7.679 86 HB2 GLU 13 HB2 GLU 13 -3.042 6.026 -9.291 87 HB3 GLU 13 HB1 GLU 13 -2.960 7.173 -7.968 88 HG2 GLU 13 HG2 GLU 13 -1.293 5.797 -6.870 89 HG3 GLU 13 HG1 GLU 13 -1.415 4.609 -8.163 90 H ILE 14 HN ILE 14 -2.980 3.223 -6.578 91 HA ILE 14 HA ILE 14 -3.991 1.556 -8.723 92 HB ILE 14 HB ILE 14 -2.368 0.703 -6.277 93 HG12 ILE 14 HG12 ILE 14 -0.598 0.169 -8.075 94 HG13 ILE 14 HG11 ILE 14 -1.549 1.180 -9.148 95 HG21 ILE 14 HG21 ILE 14 -2.085 -1.453 -7.421 96 HG22 ILE 14 HG22 ILE 14 -3.182 -0.893 -8.691 97 HG23 ILE 14 HG23 ILE 14 -3.773 -1.098 -7.043 98 HD11 ILE 14 HD11 ILE 14 -1.192 3.073 -7.654 99 HD12 ILE 14 HD12 ILE 14 0.325 2.384 -8.226 100 HD13 ILE 14 HD13 ILE 14 -0.236 2.045 -6.587 101 H VAL 15 HN VAL 15 -4.504 2.037 -5.262 102 HA VAL 15 HA VAL 15 -6.301 -0.065 -4.968 103 HB VAL 15 HB VAL 15 -6.052 2.420 -3.223 104 HG11 VAL 15 HG11 VAL 15 -7.241 1.138 -1.536 105 HG12 VAL 15 HG12 VAL 15 -7.466 -0.180 -2.688 106 HG13 VAL 15 HG13 VAL 15 -8.245 1.379 -2.964 107 HG21 VAL 15 HG21 VAL 15 -4.054 1.017 -3.237 108 HG22 VAL 15 HG22 VAL 15 -5.060 -0.392 -2.869 109 HG23 VAL 15 HG23 VAL 15 -4.918 0.907 -1.693 110 H ASN 16 HN ASN 16 -6.948 3.202 -6.114 111 HA ASN 16 HA ASN 16 -9.784 2.869 -6.026 112 HB2 ASN 16 HB2 ASN 16 -8.836 5.142 -6.183 113 HB3 ASN 16 HB1 ASN 16 -8.138 4.752 -7.747 114 HD21 ASN 16 HD21 ASN 16 -11.132 5.501 -6.045 115 HD22 ASN 16 HD22 ASN 16 -12.077 5.757 -7.456 116 H GLU 17 HN GLU 17 -7.318 1.994 -8.269 117 HA GLU 17 HA GLU 17 -8.984 1.437 -10.505 118 HB2 GLU 17 HB2 GLU 17 -6.441 1.777 -10.425 119 HB3 GLU 17 HB1 GLU 17 -6.348 0.132 -9.824 120 HG2 GLU 17 HG2 GLU 17 -5.890 0.129 -12.161 121 HG3 GLU 17 HG1 GLU 17 -7.466 -0.626 -11.906 122 H ILE 18 HN ILE 18 -7.693 -0.423 -7.830 123 HA ILE 18 HA ILE 18 -8.759 -2.969 -8.676 124 HB ILE 18 HB ILE 18 -7.473 -2.091 -6.084 125 HG12 ILE 18 HG12 ILE 18 -6.005 -1.914 -7.986 126 HG13 ILE 18 HG11 ILE 18 -5.484 -3.242 -6.953 127 HG21 ILE 18 HG21 ILE 18 -7.135 -4.472 -5.591 128 HG22 ILE 18 HG22 ILE 18 -8.092 -4.897 -7.010 129 HG23 ILE 18 HG23 ILE 18 -8.848 -4.051 -5.660 130 HD11 ILE 18 HD11 ILE 18 -6.536 -4.829 -8.487 131 HD12 ILE 18 HD12 ILE 18 -5.310 -3.844 -9.304 132 HD13 ILE 18 HD13 ILE 18 -7.032 -3.491 -9.523 133 H ALA 19 HN ALA 19 -9.453 -0.807 -5.925 134 HA ALA 19 HA ALA 19 -11.871 -2.384 -5.409 135 HB1 ALA 19 HB1 ALA 19 -11.801 -1.458 -3.157 136 HB2 ALA 19 HB2 ALA 19 -10.411 -0.465 -3.611 137 HB3 ALA 19 HB3 ALA 19 -10.267 -2.223 -3.587 138 H GLY 20 HN GLY 20 -10.733 0.936 -5.555 139 HA2 GLY 20 HA2 GLY 20 -11.956 2.629 -6.742 140 HA3 GLY 20 HA1 GLY 20 -13.417 1.686 -6.500 141 H ILE 21 HN ILE 21 -11.013 2.662 -4.138 142 HA ILE 21 HA ILE 21 -13.053 3.841 -2.472 143 HB ILE 21 HB ILE 21 -10.920 4.554 -1.129 144 HG12 ILE 21 HG12 ILE 21 -9.060 2.893 -1.361 145 HG13 ILE 21 HG11 ILE 21 -9.798 2.332 -2.846 146 HG21 ILE 21 HG21 ILE 21 -10.892 2.425 0.045 147 HG22 ILE 21 HG22 ILE 21 -11.898 1.726 -1.238 148 HG23 ILE 21 HG23 ILE 21 -12.498 3.076 -0.258 149 HD11 ILE 21 HD11 ILE 21 -9.421 4.545 -3.846 150 HD12 ILE 21 HD12 ILE 21 -7.920 3.800 -3.291 151 HD13 ILE 21 HD13 ILE 21 -8.670 5.087 -2.344 152 HA PRO 22 HA PRO 22 -12.315 8.060 -3.682 153 HB2 PRO 22 HB2 PRO 22 -12.360 8.909 -0.859 154 HB3 PRO 22 HB1 PRO 22 -13.512 9.291 -2.142 155 HG2 PRO 22 HG2 PRO 22 -14.161 7.665 -0.103 156 HG3 PRO 22 HG1 PRO 22 -14.785 7.402 -1.746 157 HD2 PRO 22 HD2 PRO 22 -12.502 6.061 -0.350 158 HD3 PRO 22 HD1 PRO 22 -13.781 5.308 -1.316 159 H VAL 23 HN VAL 23 -10.378 8.951 -4.126 160 HA VAL 23 HA VAL 23 -8.104 7.925 -2.706 161 HB VAL 23 HB VAL 23 -6.684 9.113 -4.336 162 HG11 VAL 23 HG11 VAL 23 -8.997 7.608 -5.564 163 HG12 VAL 23 HG12 VAL 23 -7.543 6.894 -4.869 164 HG13 VAL 23 HG13 VAL 23 -7.430 7.884 -6.325 165 HG21 VAL 23 HG21 VAL 23 -9.309 10.099 -5.403 166 HG22 VAL 23 HG22 VAL 23 -7.734 10.350 -6.185 167 HG23 VAL 23 HG23 VAL 23 -8.090 11.075 -4.604 168 H GLU 24 HN GLU 24 -10.018 10.522 -2.191 169 HA GLU 24 HA GLU 24 -8.007 12.166 -0.894 170 HB2 GLU 24 HB2 GLU 24 -11.003 12.364 -0.496 171 HB3 GLU 24 HB1 GLU 24 -9.806 13.604 -0.206 172 HG2 GLU 24 HG2 GLU 24 -10.904 14.305 -2.119 173 HG3 GLU 24 HG1 GLU 24 -9.439 13.553 -2.747 174 H ASP 25 HN ASP 25 -9.959 9.481 -0.263 175 HA ASP 25 HA ASP 25 -10.380 9.967 2.539 176 HB2 ASP 25 HB2 ASP 25 -11.964 8.840 0.930 177 HB3 ASP 25 HB1 ASP 25 -10.882 7.475 0.951 178 H VAL 26 HN VAL 26 -8.258 8.202 0.492 179 HA VAL 26 HA VAL 26 -7.199 6.481 2.514 180 HB VAL 26 HB VAL 26 -5.984 7.140 -0.186 181 HG11 VAL 26 HG11 VAL 26 -4.938 4.929 0.008 182 HG12 VAL 26 HG12 VAL 26 -5.662 4.731 1.606 183 HG13 VAL 26 HG13 VAL 26 -4.459 5.991 1.334 184 HG21 VAL 26 HG21 VAL 26 -8.274 6.403 -0.464 185 HG22 VAL 26 HG22 VAL 26 -7.956 4.988 0.539 186 HG23 VAL 26 HG23 VAL 26 -7.152 5.163 -1.020 187 H LYS 27 HN LYS 27 -6.718 7.995 4.040 188 HA LYS 27 HA LYS 27 -4.387 9.730 3.660 189 HB2 LYS 27 HB2 LYS 27 -6.344 9.423 5.950 190 HB3 LYS 27 HB1 LYS 27 -5.025 10.580 5.906 191 HG2 LYS 27 HG2 LYS 27 -6.056 11.741 4.051 192 HG3 LYS 27 HG1 LYS 27 -7.329 10.522 3.963 193 HD2 LYS 27 HD2 LYS 27 -8.122 11.143 6.165 194 HD3 LYS 27 HD1 LYS 27 -6.794 12.284 6.356 195 HE2 LYS 27 HE2 LYS 27 -8.874 13.430 5.767 196 HE3 LYS 27 HE1 LYS 27 -7.656 13.618 4.508 197 HZ1 LYS 27 HZ1 LYS 27 -9.812 13.157 3.558 198 HZ2 LYS 27 HZ2 LYS 27 -9.973 11.709 4.390 199 HZ3 LYS 27 HZ3 LYS 27 -8.777 11.907 3.217 200 H LEU 28 HN LEU 28 -2.978 9.694 5.804 201 HA LEU 28 HA LEU 28 -1.667 7.214 6.002 202 HB2 LEU 28 HB2 LEU 28 -1.486 9.766 7.503 203 HB3 LEU 28 HB1 LEU 28 -0.807 8.355 8.279 204 HG LEU 28 HG LEU 28 0.882 9.679 7.090 205 HD11 LEU 28 HD11 LEU 28 0.405 6.965 5.895 206 HD12 LEU 28 HD12 LEU 28 1.254 7.315 7.400 207 HD13 LEU 28 HD13 LEU 28 1.930 7.850 5.859 208 HD21 LEU 28 HD21 LEU 28 -0.630 8.913 4.593 209 HD22 LEU 28 HD22 LEU 28 0.940 9.715 4.645 210 HD23 LEU 28 HD23 LEU 28 -0.492 10.540 5.261 211 H ASP 29 HN ASP 29 -4.406 8.286 7.647 212 HA ASP 29 HA ASP 29 -4.178 6.345 9.817 213 HB2 ASP 29 HB2 ASP 29 -6.244 8.435 9.158 214 HB3 ASP 29 HB1 ASP 29 -6.444 7.278 10.465 215 H LYS 30 HN LYS 30 -4.391 5.372 7.117 216 HA LYS 30 HA LYS 30 -6.973 4.002 7.306 217 HB2 LYS 30 HB2 LYS 30 -5.402 4.809 4.882 218 HB3 LYS 30 HB1 LYS 30 -6.658 3.578 4.808 219 HG2 LYS 30 HG2 LYS 30 -7.070 6.361 5.832 220 HG3 LYS 30 HG1 LYS 30 -7.423 5.853 4.168 221 HD2 LYS 30 HD2 LYS 30 -8.983 4.178 5.009 222 HD3 LYS 30 HD1 LYS 30 -8.613 4.650 6.664 223 HE2 LYS 30 HE2 LYS 30 -9.563 6.837 6.276 224 HE3 LYS 30 HE1 LYS 30 -9.847 6.427 4.580 225 HZ1 LYS 30 HZ1 LYS 30 -11.053 4.960 6.870 226 HZ2 LYS 30 HZ2 LYS 30 -11.437 4.781 5.218 227 HZ3 LYS 30 HZ3 LYS 30 -11.838 6.197 6.014 228 H SER 31 HN SER 31 -6.971 1.911 6.096 229 HA SER 31 HA SER 31 -4.584 0.327 6.192 230 HB2 SER 31 HB2 SER 31 -5.323 -0.001 8.420 231 HB3 SER 31 HB1 SER 31 -7.026 -0.148 7.945 232 HG SER 31 HG SER 31 -5.455 -2.075 8.389 233 H PHE 32 HN PHE 32 -5.117 -1.750 4.993 234 HA PHE 32 HA PHE 32 -6.526 -0.822 2.714 235 HB2 PHE 32 HB2 PHE 32 -5.140 -3.432 3.253 236 HB3 PHE 32 HB1 PHE 32 -5.896 -3.025 1.710 237 HD1 PHE 32 HD1 PHE 32 -3.122 -2.287 3.982 238 HD2 PHE 32 HD2 PHE 32 -4.974 -1.326 0.274 239 HE1 PHE 32 HE1 PHE 32 -1.114 -1.050 3.303 240 HE2 PHE 32 HE2 PHE 32 -2.960 -0.093 -0.416 241 HZ PHE 32 HZ PHE 32 -1.030 0.046 1.104 242 H THR 33 HN THR 33 -7.213 -3.549 4.876 243 HA THR 33 HA THR 33 -9.897 -3.243 3.796 244 HB THR 33 HB THR 33 -8.887 -5.264 2.946 245 HG1 THR 33 HG1 THR 33 -10.549 -6.577 3.304 246 HG21 THR 33 HG21 THR 33 -8.312 -7.153 4.422 247 HG22 THR 33 HG22 THR 33 -8.610 -6.121 5.821 248 HG23 THR 33 HG23 THR 33 -7.300 -5.736 4.704 249 H ASP 34 HN ASP 34 -8.477 -2.245 6.207 250 HA ASP 34 HA ASP 34 -10.456 -3.263 8.115 251 HB2 ASP 34 HB2 ASP 34 -8.107 -3.773 8.751 252 HB3 ASP 34 HB1 ASP 34 -7.803 -2.039 8.857 253 H ASP 35 HN ASP 35 -8.807 -0.379 6.982 254 HA ASP 35 HA ASP 35 -10.942 1.187 8.287 255 HB2 ASP 35 HB2 ASP 35 -8.268 1.702 8.437 256 HB3 ASP 35 HB1 ASP 35 -8.672 2.577 6.976 257 H LEU 36 HN LEU 36 -9.465 0.309 5.225 258 HA LEU 36 HA LEU 36 -11.291 2.024 3.712 259 HB2 LEU 36 HB2 LEU 36 -8.941 0.315 2.841 260 HB3 LEU 36 HB1 LEU 36 -9.988 1.213 1.759 261 HG LEU 36 HG LEU 36 -8.289 2.536 3.868 262 HD11 LEU 36 HD11 LEU 36 -7.754 2.120 0.919 263 HD12 LEU 36 HD12 LEU 36 -6.884 1.336 2.239 264 HD13 LEU 36 HD13 LEU 36 -6.775 3.083 2.024 265 HD21 LEU 36 HD21 LEU 36 -9.716 3.521 1.421 266 HD22 LEU 36 HD22 LEU 36 -8.751 4.511 2.533 267 HD23 LEU 36 HD23 LEU 36 -10.249 3.736 3.084 268 H ASP 37 HN ASP 37 -11.591 0.527 1.464 269 HA ASP 37 HA ASP 37 -12.858 -1.939 2.341 270 HB2 ASP 37 HB2 ASP 37 -14.621 -0.187 2.132 271 HB3 ASP 37 HB1 ASP 37 -14.106 0.105 0.474 272 H VAL 38 HN VAL 38 -10.943 -2.752 1.583 273 HA VAL 38 HA VAL 38 -10.773 -3.076 -1.347 274 HB VAL 38 HB VAL 38 -8.401 -2.828 0.509 275 HG11 VAL 38 HG11 VAL 38 -7.099 -2.550 -1.547 276 HG12 VAL 38 HG12 VAL 38 -8.567 -2.799 -2.492 277 HG13 VAL 38 HG13 VAL 38 -7.942 -4.098 -1.476 278 HG21 VAL 38 HG21 VAL 38 -9.522 -0.676 -1.278 279 HG22 VAL 38 HG22 VAL 38 -7.986 -0.590 -0.415 280 HG23 VAL 38 HG23 VAL 38 -9.501 -0.666 0.485 281 H ASP 39 HN ASP 39 -11.215 -5.244 -1.528 282 HA ASP 39 HA ASP 39 -10.800 -7.187 0.458 283 HB2 ASP 39 HB2 ASP 39 -10.906 -7.497 -2.551 284 HB3 ASP 39 HB1 ASP 39 -10.689 -8.872 -1.479 285 H SER 40 HN SER 40 -9.081 -8.038 1.280 286 HA SER 40 HA SER 40 -6.535 -7.065 0.611 287 HB2 SER 40 HB2 SER 40 -5.779 -8.585 2.382 288 HB3 SER 40 HB1 SER 40 -7.230 -7.619 2.771 289 H LEU 41 HN LEU 41 -8.172 -10.045 -0.143 290 HA LEU 41 HA LEU 41 -5.986 -11.438 -1.107 291 HB2 LEU 41 HB2 LEU 41 -8.899 -11.575 -1.875 292 HB3 LEU 41 HB1 LEU 41 -7.720 -12.595 -2.668 293 HG LEU 41 HG LEU 41 -8.844 -13.862 -0.985 294 HD11 LEU 41 HD11 LEU 41 -6.968 -14.619 0.384 295 HD12 LEU 41 HD12 LEU 41 -6.052 -13.195 -0.107 296 HD13 LEU 41 HD13 LEU 41 -6.531 -14.393 -1.310 297 HD21 LEU 41 HD21 LEU 41 -7.947 -11.781 1.016 298 HD22 LEU 41 HD22 LEU 41 -8.747 -13.303 1.407 299 HD23 LEU 41 HD23 LEU 41 -9.605 -12.067 0.486 300 H SER 42 HN SER 42 -8.012 -8.983 -2.491 301 HA SER 42 HA SER 42 -6.893 -8.980 -5.123 302 HB2 SER 42 HB2 SER 42 -8.703 -7.154 -3.635 303 HB3 SER 42 HB1 SER 42 -8.456 -7.103 -5.401 304 HG SER 42 HG SER 42 -10.117 -8.481 -5.357 305 H MET 43 HN MET 43 -6.142 -7.567 -2.081 306 HA MET 43 HA MET 43 -4.903 -5.153 -2.969 307 HB2 MET 43 HB2 MET 43 -5.704 -5.799 -0.582 308 HB3 MET 43 HB1 MET 43 -4.184 -6.653 -0.438 309 HG2 MET 43 HG2 MET 43 -4.471 -3.687 -0.940 310 HG3 MET 43 HG1 MET 43 -4.220 -4.427 0.628 311 HE1 MET 43 HE1 MET 43 -1.929 -5.558 1.385 312 HE2 MET 43 HE2 MET 43 -0.542 -5.747 0.328 313 HE3 MET 43 HE3 MET 43 -2.016 -6.662 0.013 314 H VAL 44 HN VAL 44 -4.050 -8.412 -2.854 315 HA VAL 44 HA VAL 44 -1.256 -8.213 -2.998 316 HB VAL 44 HB VAL 44 -3.011 -10.389 -4.196 317 HG11 VAL 44 HG11 VAL 44 -0.711 -10.514 -4.995 318 HG12 VAL 44 HG12 VAL 44 -1.072 -11.853 -3.905 319 HG13 VAL 44 HG13 VAL 44 -0.122 -10.480 -3.332 320 HG21 VAL 44 HG21 VAL 44 -2.676 -11.571 -2.053 321 HG22 VAL 44 HG22 VAL 44 -3.527 -10.044 -1.839 322 HG23 VAL 44 HG23 VAL 44 -1.838 -10.161 -1.418 323 H GLU 45 HN GLU 45 -3.754 -7.625 -5.343 324 HA GLU 45 HA GLU 45 -2.005 -7.596 -7.625 325 HB2 GLU 45 HB2 GLU 45 -4.835 -6.562 -7.289 326 HB3 GLU 45 HB1 GLU 45 -3.991 -6.737 -8.821 327 HG2 GLU 45 HG2 GLU 45 -3.877 -9.157 -8.479 328 HG3 GLU 45 HG1 GLU 45 -4.724 -8.972 -6.947 329 H VAL 46 HN VAL 46 -3.000 -5.510 -5.138 330 HA VAL 46 HA VAL 46 -2.390 -2.998 -6.398 331 HB VAL 46 HB VAL 46 -2.701 -3.698 -3.455 332 HG11 VAL 46 HG11 VAL 46 -1.419 -1.656 -3.741 333 HG12 VAL 46 HG12 VAL 46 -3.019 -1.291 -3.098 334 HG13 VAL 46 HG13 VAL 46 -2.665 -0.997 -4.803 335 HG21 VAL 46 HG21 VAL 46 -4.678 -2.481 -5.379 336 HG22 VAL 46 HG22 VAL 46 -4.933 -2.703 -3.647 337 HG23 VAL 46 HG23 VAL 46 -4.748 -4.108 -4.700 338 H VAL 47 HN VAL 47 -0.922 -4.928 -3.797 339 HA VAL 47 HA VAL 47 1.354 -3.423 -3.478 340 HB VAL 47 HB VAL 47 0.752 -5.137 -1.849 341 HG11 VAL 47 HG11 VAL 47 1.654 -7.164 -3.873 342 HG12 VAL 47 HG12 VAL 47 0.006 -6.911 -3.297 343 HG13 VAL 47 HG13 VAL 47 1.249 -7.500 -2.190 344 HG21 VAL 47 HG21 VAL 47 3.514 -5.572 -2.975 345 HG22 VAL 47 HG22 VAL 47 2.985 -6.035 -1.357 346 HG23 VAL 47 HG23 VAL 47 3.034 -4.333 -1.815 347 H VAL 48 HN VAL 48 0.935 -6.035 -5.860 348 HA VAL 48 HA VAL 48 3.639 -6.033 -6.648 349 HB VAL 48 HB VAL 48 2.141 -7.896 -7.261 350 HG11 VAL 48 HG11 VAL 48 0.107 -6.702 -7.759 351 HG12 VAL 48 HG12 VAL 48 0.564 -7.726 -9.121 352 HG13 VAL 48 HG13 VAL 48 0.849 -5.986 -9.191 353 HG21 VAL 48 HG21 VAL 48 2.880 -8.241 -9.578 354 HG22 VAL 48 HG22 VAL 48 4.174 -7.636 -8.543 355 HG23 VAL 48 HG23 VAL 48 3.358 -6.546 -9.664 356 H ALA 49 HN ALA 49 0.971 -3.991 -7.537 357 HA ALA 49 HA ALA 49 2.433 -2.687 -9.664 358 HB1 ALA 49 HB1 ALA 49 -0.256 -2.040 -8.442 359 HB2 ALA 49 HB2 ALA 49 0.010 -3.021 -9.883 360 HB3 ALA 49 HB3 ALA 49 0.423 -1.307 -9.894 361 H ALA 50 HN ALA 50 2.036 -2.427 -6.325 362 HA ALA 50 HA ALA 50 2.705 0.357 -6.127 363 HB1 ALA 50 HB1 ALA 50 2.792 -0.057 -3.722 364 HB2 ALA 50 HB2 ALA 50 2.667 -1.795 -4.022 365 HB3 ALA 50 HB3 ALA 50 1.320 -0.732 -4.430 366 H GLU 51 HN GLU 51 4.357 -2.735 -5.829 367 HA GLU 51 HA GLU 51 6.839 -1.919 -4.890 368 HB2 GLU 51 HB2 GLU 51 6.233 -4.076 -6.903 369 HB3 GLU 51 HB1 GLU 51 7.761 -3.898 -6.057 370 HG2 GLU 51 HG2 GLU 51 6.600 -4.297 -3.933 371 HG3 GLU 51 HG1 GLU 51 5.086 -4.497 -4.819 372 H GLU 52 HN GLU 52 5.663 -2.024 -8.189 373 HA GLU 52 HA GLU 52 8.071 -1.023 -9.365 374 HB2 GLU 52 HB2 GLU 52 6.611 -0.824 -11.427 375 HB3 GLU 52 HB1 GLU 52 6.725 -2.430 -10.728 376 HG2 GLU 52 HG2 GLU 52 4.494 -2.520 -10.708 377 HG3 GLU 52 HG1 GLU 52 4.524 -1.259 -9.497 378 H ARG 53 HN ARG 53 5.168 0.343 -8.137 379 HA ARG 53 HA ARG 53 5.204 2.864 -9.442 380 HB2 ARG 53 HB2 ARG 53 3.287 1.603 -8.306 381 HB3 ARG 53 HB1 ARG 53 3.928 2.223 -6.800 382 HG2 ARG 53 HG2 ARG 53 2.084 3.572 -7.532 383 HG3 ARG 53 HG1 ARG 53 3.573 4.514 -7.638 384 HD2 ARG 53 HD2 ARG 53 1.997 4.699 -9.608 385 HD3 ARG 53 HD1 ARG 53 3.668 4.283 -9.986 386 HE ARG 53 HE ARG 53 2.920 1.952 -10.218 387 HH11 ARG 53 HH11 ARG 53 0.302 4.389 -10.330 388 HH12 ARG 53 HH12 ARG 53 -0.615 3.447 -11.419 389 HH21 ARG 53 HH21 ARG 53 1.635 0.767 -11.640 390 HH22 ARG 53 HH22 ARG 53 0.115 1.381 -12.167 391 H PHE 54 HN PHE 54 6.159 1.748 -6.224 392 HA PHE 54 HA PHE 54 7.141 4.410 -5.584 393 HB2 PHE 54 HB2 PHE 54 6.774 1.992 -3.857 394 HB3 PHE 54 HB1 PHE 54 7.287 3.583 -3.276 395 HD1 PHE 54 HD2 PHE 54 5.630 5.491 -3.983 396 HD2 PHE 54 HD1 PHE 54 4.644 1.383 -3.683 397 HE1 PHE 54 HE2 PHE 54 3.285 6.090 -3.697 398 HE2 PHE 54 HE1 PHE 54 2.284 1.974 -3.398 399 HZ PHE 54 HZ PHE 54 1.589 4.250 -3.405 400 H ASP 55 HN ASP 55 8.418 1.516 -6.743 401 HA ASP 55 HA ASP 55 10.536 0.726 -7.062 402 HB2 ASP 55 HB2 ASP 55 11.282 3.421 -5.980 403 HB3 ASP 55 HB1 ASP 55 12.527 2.226 -6.341 404 H VAL 56 HN VAL 56 9.257 -0.298 -5.112 405 HA VAL 56 HA VAL 56 11.324 -0.933 -3.223 406 HB VAL 56 HB VAL 56 10.258 0.793 -1.985 407 HG11 VAL 56 HG11 VAL 56 7.845 0.842 -1.496 408 HG12 VAL 56 HG12 VAL 56 7.623 -0.569 -2.538 409 HG13 VAL 56 HG13 VAL 56 8.204 0.956 -3.223 410 HG21 VAL 56 HG21 VAL 56 9.357 -0.405 -0.034 411 HG22 VAL 56 HG22 VAL 56 10.812 -1.164 -0.677 412 HG23 VAL 56 HG23 VAL 56 9.228 -1.866 -1.011 413 H LYS 57 HN LYS 57 11.487 -2.929 -3.628 414 HA LYS 57 HA LYS 57 9.227 -4.520 -4.359 415 HB2 LYS 57 HB2 LYS 57 10.767 -6.473 -4.294 416 HB3 LYS 57 HB1 LYS 57 11.313 -5.180 -5.346 417 HG2 LYS 57 HG2 LYS 57 12.952 -4.500 -3.712 418 HG3 LYS 57 HG1 LYS 57 12.341 -5.701 -2.567 419 HD2 LYS 57 HD2 LYS 57 12.963 -7.492 -4.055 420 HD3 LYS 57 HD1 LYS 57 13.481 -6.333 -5.280 421 HE2 LYS 57 HE2 LYS 57 15.243 -5.544 -3.848 422 HE3 LYS 57 HE1 LYS 57 14.679 -6.576 -2.533 423 HZ1 LYS 57 HZ1 LYS 57 15.584 -7.603 -5.150 424 HZ2 LYS 57 HZ2 LYS 57 15.292 -8.499 -3.735 425 HZ3 LYS 57 HZ3 LYS 57 16.610 -7.413 -3.833 426 H ILE 58 HN ILE 58 8.043 -5.787 -3.212 427 HA ILE 58 HA ILE 58 8.473 -5.821 -0.318 428 HB ILE 58 HB ILE 58 5.815 -5.450 -1.746 429 HG12 ILE 58 HG12 ILE 58 7.390 -3.401 -0.145 430 HG13 ILE 58 HG11 ILE 58 7.309 -3.451 -1.895 431 HG21 ILE 58 HG21 ILE 58 4.920 -5.039 0.503 432 HG22 ILE 58 HG22 ILE 58 6.506 -5.375 1.199 433 HG23 ILE 58 HG23 ILE 58 5.619 -6.651 0.366 434 HD11 ILE 58 HD11 ILE 58 4.988 -3.009 -0.034 435 HD12 ILE 58 HD12 ILE 58 4.922 -3.028 -1.801 436 HD13 ILE 58 HD13 ILE 58 5.831 -1.771 -0.966 437 HA PRO 59 HA PRO 59 8.095 -10.166 -1.688 438 HB2 PRO 59 HB2 PRO 59 9.085 -10.519 1.090 439 HB3 PRO 59 HB1 PRO 59 9.697 -11.221 -0.413 440 HG2 PRO 59 HG2 PRO 59 11.034 -9.290 0.829 441 HG3 PRO 59 HG1 PRO 59 10.930 -9.331 -0.942 442 HD2 PRO 59 HD2 PRO 59 9.410 -7.645 1.006 443 HD3 PRO 59 HD1 PRO 59 10.127 -7.193 -0.555 444 H ASP 60 HN ASP 60 6.734 -11.803 -0.932 445 HA ASP 60 HA ASP 60 4.283 -10.967 0.093 446 HB2 ASP 60 HB2 ASP 60 4.596 -12.966 -1.307 447 HB3 ASP 60 HB1 ASP 60 5.391 -13.774 0.044 448 H ASP 61 HN ASP 61 6.978 -12.523 1.679 449 HA ASP 61 HA ASP 61 5.831 -12.915 4.208 450 HB2 ASP 61 HB2 ASP 61 7.891 -13.997 3.652 451 HB3 ASP 61 HB1 ASP 61 8.686 -12.456 3.364 452 H ASP 62 HN ASP 62 7.340 -10.107 2.782 453 HA ASP 62 HA ASP 62 7.300 -8.616 5.244 454 HB2 ASP 62 HB2 ASP 62 8.269 -8.025 2.500 455 HB3 ASP 62 HB1 ASP 62 7.820 -6.660 3.512 456 H VAL 63 HN VAL 63 5.286 -8.834 2.403 457 HA VAL 63 HA VAL 63 3.778 -6.505 3.028 458 HB VAL 63 HB VAL 63 3.868 -7.631 0.794 459 HG11 VAL 63 HG11 VAL 63 2.207 -9.264 0.143 460 HG12 VAL 63 HG12 VAL 63 1.851 -9.526 1.856 461 HG13 VAL 63 HG13 VAL 63 3.467 -9.867 1.222 462 HG21 VAL 63 HG21 VAL 63 1.583 -6.989 0.115 463 HG22 VAL 63 HG22 VAL 63 2.379 -5.796 1.142 464 HG23 VAL 63 HG23 VAL 63 1.156 -6.872 1.821 465 H LYS 64 HN LYS 64 3.277 -9.830 3.585 466 HA LYS 64 HA LYS 64 0.838 -9.629 5.069 467 HB2 LYS 64 HB2 LYS 64 2.930 -11.787 5.113 468 HB3 LYS 64 HB1 LYS 64 1.513 -11.851 6.141 469 HG2 LYS 64 HG2 LYS 64 0.094 -11.812 4.116 470 HG3 LYS 64 HG1 LYS 64 1.564 -11.862 3.130 471 HD2 LYS 64 HD2 LYS 64 2.210 -13.968 4.096 472 HD3 LYS 64 HD1 LYS 64 0.873 -13.901 5.237 473 HE2 LYS 64 HE2 LYS 64 0.412 -15.454 3.416 474 HE3 LYS 64 HE1 LYS 64 -0.715 -14.101 3.397 475 HZ1 LYS 64 HZ1 LYS 64 0.211 -14.772 1.186 476 HZ2 LYS 64 HZ2 LYS 64 1.708 -14.215 1.668 477 HZ3 LYS 64 HZ3 LYS 64 0.417 -13.155 1.543 478 H ASN 65 HN ASN 65 3.926 -8.686 5.963 479 HA ASN 65 HA ASN 65 3.614 -9.131 8.807 480 HB2 ASN 65 HB2 ASN 65 5.843 -9.171 7.642 481 HB3 ASN 65 HB1 ASN 65 5.686 -7.436 7.395 482 HD21 ASN 65 HD21 ASN 65 6.247 -9.960 9.649 483 HD22 ASN 65 HD22 ASN 65 6.785 -8.978 10.977 484 H LEU 66 HN LEU 66 2.666 -6.761 6.539 485 HA LEU 66 HA LEU 66 2.673 -4.608 8.508 486 HB2 LEU 66 HB2 LEU 66 2.112 -4.599 5.549 487 HB3 LEU 66 HB1 LEU 66 2.208 -3.187 6.585 488 HG LEU 66 HG LEU 66 4.506 -5.062 6.029 489 HD11 LEU 66 HD11 LEU 66 5.387 -3.175 4.703 490 HD12 LEU 66 HD12 LEU 66 3.806 -2.387 4.904 491 HD13 LEU 66 HD13 LEU 66 3.925 -3.912 4.037 492 HD21 LEU 66 HD21 LEU 66 5.870 -3.305 7.059 493 HD22 LEU 66 HD22 LEU 66 4.680 -3.946 8.194 494 HD23 LEU 66 HD23 LEU 66 4.409 -2.384 7.423 495 H LYS 67 HN LYS 67 0.664 -3.151 8.216 496 HA LYS 67 HA LYS 67 -1.750 -4.747 7.824 497 HB2 LYS 67 HB2 LYS 67 -2.688 -3.978 10.022 498 HB3 LYS 67 HB1 LYS 67 -1.376 -5.140 10.120 499 HG2 LYS 67 HG2 LYS 67 0.186 -3.308 10.589 500 HG3 LYS 67 HG1 LYS 67 -1.147 -2.172 10.522 501 HD2 LYS 67 HD2 LYS 67 -0.729 -2.613 12.838 502 HD3 LYS 67 HD1 LYS 67 -2.245 -3.386 12.404 503 HE2 LYS 67 HE2 LYS 67 0.402 -4.834 12.553 504 HE3 LYS 67 HE1 LYS 67 -0.716 -4.719 13.900 505 HZ1 LYS 67 HZ1 LYS 67 -1.190 -6.109 11.299 506 HZ2 LYS 67 HZ2 LYS 67 -2.379 -5.879 12.466 507 HZ3 LYS 67 HZ3 LYS 67 -1.002 -6.792 12.819 508 H THR 68 HN THR 68 -0.818 -1.420 8.916 509 HA THR 68 HA THR 68 -3.197 -0.494 7.517 510 HB THR 68 HB THR 68 -2.883 1.625 8.729 511 HG1 THR 68 HG1 THR 68 -1.182 1.599 10.398 512 HG21 THR 68 HG21 THR 68 -4.144 -0.152 9.892 513 HG22 THR 68 HG22 THR 68 -3.244 0.846 11.032 514 HG23 THR 68 HG23 THR 68 -2.640 -0.748 10.590 515 H VAL 69 HN VAL 69 -2.619 1.982 6.742 516 HA VAL 69 HA VAL 69 -0.571 1.500 4.779 517 HB VAL 69 HB VAL 69 -1.213 3.628 3.722 518 HG11 VAL 69 HG11 VAL 69 -3.584 1.902 4.397 519 HG12 VAL 69 HG12 VAL 69 -2.433 1.641 3.087 520 HG13 VAL 69 HG13 VAL 69 -3.498 3.047 3.059 521 HG21 VAL 69 HG21 VAL 69 -1.797 4.914 5.720 522 HG22 VAL 69 HG22 VAL 69 -3.219 3.894 5.961 523 HG23 VAL 69 HG23 VAL 69 -3.117 4.933 4.552 524 H GLY 70 HN GLY 70 -0.942 3.132 7.766 525 HA2 GLY 70 HA2 GLY 70 1.388 4.834 7.433 526 HA3 GLY 70 HA1 GLY 70 0.448 4.622 8.907 527 H ASP 71 HN ASP 71 0.630 1.702 8.557 528 HA ASP 71 HA ASP 71 3.095 1.212 9.926 529 HB2 ASP 71 HB2 ASP 71 1.091 -0.029 10.515 530 HB3 ASP 71 HB1 ASP 71 0.914 -0.590 8.866 531 H ALA 72 HN ALA 72 1.801 0.818 6.737 532 HA ALA 72 HA ALA 72 3.900 -0.814 5.731 533 HB1 ALA 72 HB1 ALA 72 2.810 -0.588 3.592 534 HB2 ALA 72 HB2 ALA 72 1.799 0.714 4.221 535 HB3 ALA 72 HB3 ALA 72 1.623 -0.924 4.853 536 H THR 73 HN THR 73 3.133 2.671 5.497 537 HA THR 73 HA THR 73 4.756 3.456 3.470 538 HB THR 73 HB THR 73 4.926 5.607 4.951 539 HG1 THR 73 HG1 THR 73 4.098 5.307 6.873 540 HG21 THR 73 HG21 THR 73 2.295 4.492 3.978 541 HG22 THR 73 HG22 THR 73 3.484 5.338 2.987 542 HG23 THR 73 HG23 THR 73 2.644 6.193 4.281 543 H LYS 74 HN LYS 74 5.648 3.005 6.827 544 HA LYS 74 HA LYS 74 8.212 4.114 6.676 545 HB2 LYS 74 HB2 LYS 74 7.017 3.652 8.789 546 HB3 LYS 74 HB1 LYS 74 7.278 1.933 8.545 547 HG2 LYS 74 HG2 LYS 74 9.677 2.239 8.737 548 HG3 LYS 74 HG1 LYS 74 9.467 3.985 8.876 549 HD2 LYS 74 HD2 LYS 74 8.383 1.928 10.804 550 HD3 LYS 74 HD1 LYS 74 9.819 2.918 11.069 551 HE2 LYS 74 HE2 LYS 74 8.481 4.938 11.045 552 HE3 LYS 74 HE1 LYS 74 7.041 4.017 10.618 553 HZ1 LYS 74 HZ1 LYS 74 8.558 3.779 13.169 554 HZ2 LYS 74 HZ2 LYS 74 7.202 2.872 12.740 555 HZ3 LYS 74 HZ3 LYS 74 7.063 4.548 12.964 556 H TYR 75 HN TYR 75 7.169 0.727 6.183 557 HA TYR 75 HA TYR 75 9.790 -0.272 5.733 558 HB2 TYR 75 HB2 TYR 75 8.117 -1.932 6.201 559 HB3 TYR 75 HB1 TYR 75 7.070 -1.345 4.914 560 HD1 TYR 75 HD1 TYR 75 10.441 -2.889 5.444 561 HD2 TYR 75 HD2 TYR 75 7.120 -2.438 2.821 562 HE1 TYR 75 HE1 TYR 75 11.389 -4.597 3.950 563 HE2 TYR 75 HE2 TYR 75 8.070 -4.146 1.327 564 HH TYR 75 HH TYR 75 10.698 -6.174 2.249 565 H ILE 76 HN ILE 76 7.293 0.959 3.664 566 HA ILE 76 HA ILE 76 8.382 0.442 1.157 567 HB ILE 76 HB ILE 76 6.554 2.658 2.099 568 HG12 ILE 76 HG12 ILE 76 5.961 0.056 0.681 569 HG13 ILE 76 HG11 ILE 76 5.781 0.327 2.410 570 HG21 ILE 76 HG21 ILE 76 7.139 1.784 -0.738 571 HG22 ILE 76 HG22 ILE 76 7.603 3.321 -0.012 572 HG23 ILE 76 HG23 ILE 76 5.896 2.939 -0.248 573 HD11 ILE 76 HD11 ILE 76 4.300 1.748 0.230 574 HD12 ILE 76 HD12 ILE 76 4.158 2.051 1.961 575 HD13 ILE 76 HD13 ILE 76 3.647 0.489 1.296 576 H LEU 77 HN LEU 77 8.396 3.622 2.839 577 HA LEU 77 HA LEU 77 10.165 4.730 0.968 578 HB2 LEU 77 HB2 LEU 77 10.353 6.683 2.499 579 HB3 LEU 77 HB1 LEU 77 8.723 6.240 2.075 580 HG LEU 77 HG LEU 77 8.575 5.120 4.361 581 HD11 LEU 77 HD11 LEU 77 10.075 5.922 6.103 582 HD12 LEU 77 HD12 LEU 77 11.060 6.736 4.889 583 HD13 LEU 77 HD13 LEU 77 10.942 4.976 4.891 584 HD21 LEU 77 HD21 LEU 77 8.971 8.092 4.200 585 HD22 LEU 77 HD22 LEU 77 8.120 7.239 5.491 586 HD23 LEU 77 HD23 LEU 77 7.491 7.208 3.839 587 H ASP 78 HN ASP 78 10.788 2.863 3.666 588 HA ASP 78 HA ASP 78 13.531 3.705 4.031 589 HB2 ASP 78 HB2 ASP 78 12.397 2.765 5.926 590 HB3 ASP 78 HB1 ASP 78 12.002 1.304 5.036 591 H HIS 79 HN HIS 79 11.858 1.320 2.138 592 HA HIS 79 HA HIS 79 14.377 -0.067 1.527 593 HB2 HIS 79 HB2 HIS 79 12.105 -1.165 2.233 594 HB3 HIS 79 HB1 HIS 79 11.680 -0.925 0.546 595 HD1 HIS 79 HD1 HIS 79 12.978 -2.461 -1.228 596 HD2 HIS 79 HD2 HIS 79 13.901 -3.164 2.774 597 HE1 HIS 79 HE1 HIS 79 14.085 -4.695 -1.165 598 HE2 HIS 79 HE2 HIS 79 14.547 -5.142 1.287 599 H GLN 80 HN GLN 80 12.542 2.403 0.343 600 HA GLN 80 HA GLN 80 12.411 1.870 -2.423 601 HB2 GLN 80 HB2 GLN 80 12.248 4.411 -0.864 602 HB3 GLN 80 HB1 GLN 80 12.207 4.392 -2.622 603 HG2 GLN 80 HG2 GLN 80 10.256 3.011 -2.592 604 HG3 GLN 80 HG1 GLN 80 10.338 2.903 -0.837 605 HE21 GLN 80 HE21 GLN 80 11.106 5.764 -0.561 606 HE22 GLN 80 HE22 GLN 80 9.626 6.590 -0.759 607 H ALA 81 HN ALA 81 13.599 2.331 -4.066 608 HA ALA 81 HA ALA 81 15.660 4.171 -4.231 609 HB1 ALA 81 HB1 ALA 81 16.901 2.581 -2.873 610 HB2 ALA 81 HB2 ALA 81 17.567 2.659 -4.512 611 HB3 ALA 81 HB3 ALA 81 16.548 1.288 -4.026 612 H28 SXO 101 H28B SXO 101 -5.438 -10.977 4.700 613 H28A SXO 101 H28A SXO 101 -5.635 -11.321 2.984 614 H30 SXO 101 H30A SXO 101 -5.683 -14.312 5.917 615 H30A SXO 101 H30C SXO 101 -5.458 -12.575 6.248 616 H30B SXO 101 H30B SXO 101 -7.030 -13.165 5.678 617 H31 SXO 101 H31A SXO 101 -7.326 -13.857 3.431 618 H31A SXO 101 H31B SXO 101 -5.961 -14.985 3.471 619 H31B SXO 101 H31C SXO 101 -6.007 -13.679 2.275 620 H32 SXO 101 H32A SXO 101 -3.490 -12.656 4.896 621 HO33 SXO 101 H33A SXO 101 -3.246 -14.842 3.466 622 HN36 SXO 101 H36A SXO 101 -3.915 -10.996 3.068 623 H37 SXO 101 H37A SXO 101 -2.283 -11.755 0.762 624 H37A SXO 101 H37B SXO 101 -3.801 -10.886 0.541 625 H38 SXO 101 H38B SXO 101 -1.860 -9.395 0.470 626 H38A SXO 101 H38A SXO 101 -1.404 -9.901 2.089 627 HN41 SXO 101 H41A SXO 101 -2.632 -9.264 3.834 628 H42 SXO 101 H42A SXO 101 -3.736 -6.660 3.664 629 H42A SXO 101 H42B SXO 101 -4.951 -7.800 4.127 630 H43 SXO 101 H43B SXO 101 -3.860 -6.846 6.057 631 H43A SXO 101 H43A SXO 101 -3.463 -8.582 5.897 632 H2 SXO 101 H2A SXO 101 0.400 -5.724 4.548 633 H2A SXO 101 H2B SXO 101 -0.155 -4.286 5.381 634 H3 SXO 101 H3B SXO 101 -0.470 -4.791 2.436 635 H3A SXO 101 H3A SXO 101 -1.011 -3.354 3.313 636 H4 SXO 101 H4A SXO 101 1.830 -4.313 2.958 637 H4A SXO 101 H4B SXO 101 1.359 -2.984 4.014 638 H5 SXO 101 H5B SXO 101 0.413 -1.801 2.058 639 H5A SXO 101 H5A SXO 101 2.148 -2.079 1.933 640 H6 SXO 101 H6A SXO 101 0.026 -3.780 0.628 641 H6A SXO 101 H6B SXO 101 1.771 -3.938 0.426 642 H7 SXO 101 H7A SXO 101 0.131 -1.530 -0.397 643 H7A SXO 101 H7B SXO 101 0.754 -2.781 -1.486 644 H8 SXO 101 H8C SXO 101 3.036 -2.199 -0.826 645 H8A SXO 101 H8A SXO 101 2.409 -0.958 0.259 646 H8B SXO 101 H8B SXO 101 2.185 -0.802 -1.484 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 12.845 4.948 -5.363 2 H2 ALA 1 HT2 ALA 1 12.605 6.594 -5.685 3 H3 ALA 1 HT3 ALA 1 11.293 5.548 -5.739 4 HA ALA 1 HA ALA 1 11.483 5.150 -3.393 5 HB1 ALA 1 HB1 ALA 1 13.885 5.560 -3.193 6 HB2 ALA 1 HB2 ALA 1 12.963 6.567 -2.076 7 HB3 ALA 1 HB3 ALA 1 13.625 7.269 -3.552 8 H ALA 2 HN ALA 2 9.537 5.950 -2.969 9 HA ALA 2 HA ALA 2 8.964 8.723 -3.683 10 HB1 ALA 2 HB1 ALA 2 7.513 7.077 -4.750 11 HB2 ALA 2 HB2 ALA 2 6.604 8.028 -3.574 12 HB3 ALA 2 HB3 ALA 2 7.119 6.389 -3.177 13 H THR 3 HN THR 3 8.041 10.023 -2.061 14 HA THR 3 HA THR 3 8.730 8.943 0.536 15 HB THR 3 HB THR 3 8.078 11.870 0.010 16 HG1 THR 3 HG1 THR 3 9.778 11.105 -1.445 17 HG21 THR 3 HG21 THR 3 9.849 10.432 1.996 18 HG22 THR 3 HG22 THR 3 8.301 11.201 2.375 19 HG23 THR 3 HG23 THR 3 9.684 12.183 1.884 20 H GLN 4 HN GLN 4 7.196 9.787 2.452 21 HA GLN 4 HA GLN 4 5.074 8.107 2.330 22 HB2 GLN 4 HB2 GLN 4 5.929 8.911 4.435 23 HB3 GLN 4 HB1 GLN 4 5.319 10.526 4.107 24 HG2 GLN 4 HG2 GLN 4 3.033 9.702 4.192 25 HG3 GLN 4 HG1 GLN 4 3.625 8.064 4.459 26 HE21 GLN 4 HE21 GLN 4 4.374 7.483 6.488 27 HE22 GLN 4 HE22 GLN 4 4.188 8.511 7.859 28 H GLU 5 HN GLU 5 4.711 11.636 1.825 29 HA GLU 5 HA GLU 5 1.908 11.542 1.456 30 HB2 GLU 5 HB2 GLU 5 2.142 13.767 0.440 31 HB3 GLU 5 HB1 GLU 5 3.084 13.637 1.920 32 HG2 GLU 5 HG2 GLU 5 5.116 13.345 0.635 33 HG3 GLU 5 HG1 GLU 5 4.197 13.365 -0.864 34 H GLU 6 HN GLU 6 4.514 10.889 -0.650 35 HA GLU 6 HA GLU 6 2.964 10.972 -3.077 36 HB2 GLU 6 HB2 GLU 6 5.251 11.802 -3.054 37 HB3 GLU 6 HB1 GLU 6 5.832 10.261 -2.457 38 HG2 GLU 6 HG2 GLU 6 5.395 9.214 -4.527 39 HG3 GLU 6 HG1 GLU 6 4.515 10.624 -5.121 40 H ILE 7 HN ILE 7 4.261 8.718 -0.781 41 HA ILE 7 HA ILE 7 3.833 6.323 -2.112 42 HB ILE 7 HB ILE 7 3.702 6.915 0.867 43 HG12 ILE 7 HG12 ILE 7 5.897 7.265 -0.195 44 HG13 ILE 7 HG11 ILE 7 5.925 5.921 0.941 45 HG21 ILE 7 HG21 ILE 7 3.763 4.227 -0.503 46 HG22 ILE 7 HG22 ILE 7 2.423 4.894 0.430 47 HG23 ILE 7 HG23 ILE 7 3.941 4.488 1.231 48 HD11 ILE 7 HD11 ILE 7 5.784 4.349 -0.907 49 HD12 ILE 7 HD12 ILE 7 7.172 5.421 -1.094 50 HD13 ILE 7 HD13 ILE 7 5.717 5.686 -2.048 51 H VAL 8 HN VAL 8 1.875 7.946 0.377 52 HA VAL 8 HA VAL 8 -0.381 6.356 0.381 53 HB VAL 8 HB VAL 8 -0.138 9.332 0.929 54 HG11 VAL 8 HG11 VAL 8 -2.186 9.078 2.229 55 HG12 VAL 8 HG12 VAL 8 -2.313 7.401 1.695 56 HG13 VAL 8 HG13 VAL 8 -2.458 8.715 0.527 57 HG21 VAL 8 HG21 VAL 8 -0.034 8.640 3.267 58 HG22 VAL 8 HG22 VAL 8 1.291 7.941 2.335 59 HG23 VAL 8 HG23 VAL 8 -0.102 6.950 2.776 60 H ALA 9 HN ALA 9 0.160 9.335 -1.506 61 HA ALA 9 HA ALA 9 -2.284 9.444 -2.835 62 HB1 ALA 9 HB1 ALA 9 -1.159 10.856 -4.466 63 HB2 ALA 9 HB2 ALA 9 0.408 10.311 -3.862 64 HB3 ALA 9 HB3 ALA 9 -0.651 11.270 -2.828 65 H GLY 10 HN GLY 10 0.700 7.750 -3.681 66 HA2 GLY 10 HA2 GLY 10 -0.196 6.884 -6.233 67 HA3 GLY 10 HA1 GLY 10 1.202 6.281 -5.348 68 H LEU 11 HN LEU 11 -0.052 5.433 -3.026 69 HA LEU 11 HA LEU 11 -0.832 2.829 -3.584 70 HB2 LEU 11 HB2 LEU 11 -1.506 4.541 -1.196 71 HB3 LEU 11 HB1 LEU 11 -1.833 2.829 -1.281 72 HG LEU 11 HG LEU 11 0.906 4.080 -1.366 73 HD11 LEU 11 HD11 LEU 11 -0.539 2.595 0.834 74 HD12 LEU 11 HD12 LEU 11 -0.170 4.318 0.815 75 HD13 LEU 11 HD13 LEU 11 1.138 3.138 0.883 76 HD21 LEU 11 HD21 LEU 11 0.033 1.195 -1.195 77 HD22 LEU 11 HD22 LEU 11 1.694 1.777 -1.095 78 HD23 LEU 11 HD23 LEU 11 0.779 1.968 -2.593 79 H ALA 12 HN ALA 12 -2.812 5.642 -2.893 80 HA ALA 12 HA ALA 12 -5.273 4.310 -3.015 81 HB1 ALA 12 HB1 ALA 12 -4.964 6.455 -1.925 82 HB2 ALA 12 HB2 ALA 12 -6.299 6.418 -3.078 83 HB3 ALA 12 HB3 ALA 12 -4.781 7.227 -3.515 84 H GLU 13 HN GLU 13 -3.218 5.459 -5.552 85 HA GLU 13 HA GLU 13 -5.176 5.700 -7.578 86 HB2 GLU 13 HB2 GLU 13 -2.242 5.024 -7.748 87 HB3 GLU 13 HB1 GLU 13 -3.263 5.337 -9.145 88 HG2 GLU 13 HG2 GLU 13 -2.680 7.266 -6.919 89 HG3 GLU 13 HG1 GLU 13 -1.961 7.288 -8.532 90 H ILE 14 HN ILE 14 -3.105 3.001 -6.627 91 HA ILE 14 HA ILE 14 -4.374 1.286 -8.520 92 HB ILE 14 HB ILE 14 -2.794 0.323 -6.093 93 HG12 ILE 14 HG12 ILE 14 -0.942 -0.057 -7.882 94 HG13 ILE 14 HG11 ILE 14 -1.797 1.156 -8.818 95 HG21 ILE 14 HG21 ILE 14 -4.097 -1.394 -7.092 96 HG22 ILE 14 HG22 ILE 14 -2.401 -1.659 -7.565 97 HG23 ILE 14 HG23 ILE 14 -3.543 -0.939 -8.697 98 HD11 ILE 14 HD11 ILE 14 -1.451 2.764 -7.008 99 HD12 ILE 14 HD12 ILE 14 0.066 2.117 -7.630 100 HD13 ILE 14 HD13 ILE 14 -0.578 1.533 -6.097 101 H VAL 15 HN VAL 15 -4.691 1.899 -5.068 102 HA VAL 15 HA VAL 15 -6.539 -0.121 -4.539 103 HB VAL 15 HB VAL 15 -6.138 2.496 -3.042 104 HG11 VAL 15 HG11 VAL 15 -7.634 0.016 -2.199 105 HG12 VAL 15 HG12 VAL 15 -8.369 1.570 -2.598 106 HG13 VAL 15 HG13 VAL 15 -7.311 1.427 -1.193 107 HG21 VAL 15 HG21 VAL 15 -4.198 1.009 -3.030 108 HG22 VAL 15 HG22 VAL 15 -5.229 -0.314 -2.474 109 HG23 VAL 15 HG23 VAL 15 -4.967 1.086 -1.440 110 H ASN 16 HN ASN 16 -7.145 3.168 -5.657 111 HA ASN 16 HA ASN 16 -9.974 3.054 -5.512 112 HB2 ASN 16 HB2 ASN 16 -8.565 5.134 -5.831 113 HB3 ASN 16 HB1 ASN 16 -8.304 4.633 -7.491 114 HD21 ASN 16 HD21 ASN 16 -9.487 7.013 -6.478 115 HD22 ASN 16 HD22 ASN 16 -11.097 7.127 -7.094 116 H GLU 17 HN GLU 17 -7.661 2.204 -8.015 117 HA GLU 17 HA GLU 17 -9.541 1.614 -10.044 118 HB2 GLU 17 HB2 GLU 17 -7.135 2.060 -10.422 119 HB3 GLU 17 HB1 GLU 17 -6.745 0.544 -9.631 120 HG2 GLU 17 HG2 GLU 17 -6.610 0.242 -11.985 121 HG3 GLU 17 HG1 GLU 17 -8.009 -0.647 -11.387 122 H ILE 18 HN ILE 18 -7.844 -0.365 -7.685 123 HA ILE 18 HA ILE 18 -8.856 -2.869 -8.551 124 HB ILE 18 HB ILE 18 -7.477 -1.955 -6.046 125 HG12 ILE 18 HG12 ILE 18 -6.135 -1.904 -8.008 126 HG13 ILE 18 HG11 ILE 18 -5.567 -3.205 -6.967 127 HG21 ILE 18 HG21 ILE 18 -8.229 -4.792 -6.696 128 HG22 ILE 18 HG22 ILE 18 -8.811 -3.791 -5.356 129 HG23 ILE 18 HG23 ILE 18 -7.122 -4.280 -5.411 130 HD11 ILE 18 HD11 ILE 18 -7.250 -3.506 -9.458 131 HD12 ILE 18 HD12 ILE 18 -6.739 -4.829 -8.409 132 HD13 ILE 18 HD13 ILE 18 -5.536 -3.895 -9.298 133 H ALA 19 HN ALA 19 -9.671 -0.870 -5.708 134 HA ALA 19 HA ALA 19 -12.021 -2.604 -5.371 135 HB1 ALA 19 HB1 ALA 19 -10.493 -1.160 -3.231 136 HB2 ALA 19 HB2 ALA 19 -10.371 -2.879 -3.619 137 HB3 ALA 19 HB3 ALA 19 -11.891 -2.215 -3.003 138 H GLY 20 HN GLY 20 -10.855 0.692 -5.272 139 HA2 GLY 20 HA2 GLY 20 -12.251 2.478 -5.987 140 HA3 GLY 20 HA1 GLY 20 -13.653 1.525 -5.515 141 H ILE 21 HN ILE 21 -11.214 3.686 -4.497 142 HA ILE 21 HA ILE 21 -12.723 4.159 -2.052 143 HB ILE 21 HB ILE 21 -10.505 4.793 -0.944 144 HG12 ILE 21 HG12 ILE 21 -8.521 3.383 -1.746 145 HG13 ILE 21 HG11 ILE 21 -9.389 3.180 -3.247 146 HG21 ILE 21 HG21 ILE 21 -10.006 2.531 -0.191 147 HG22 ILE 21 HG22 ILE 21 -11.044 1.893 -1.472 148 HG23 ILE 21 HG23 ILE 21 -11.727 2.909 -0.198 149 HD11 ILE 21 HD11 ILE 21 -8.438 5.795 -2.084 150 HD12 ILE 21 HD12 ILE 21 -9.311 5.607 -3.603 151 HD13 ILE 21 HD13 ILE 21 -7.700 4.910 -3.419 152 HA PRO 22 HA PRO 22 -12.303 8.395 -3.366 153 HB2 PRO 22 HB2 PRO 22 -12.047 9.236 -0.551 154 HB3 PRO 22 HB1 PRO 22 -13.349 9.574 -1.695 155 HG2 PRO 22 HG2 PRO 22 -13.715 7.914 0.379 156 HG3 PRO 22 HG1 PRO 22 -14.485 7.622 -1.195 157 HD2 PRO 22 HD2 PRO 22 -12.012 6.380 -0.039 158 HD3 PRO 22 HD1 PRO 22 -13.376 5.597 -0.873 159 H VAL 23 HN VAL 23 -10.678 9.869 -3.746 160 HA VAL 23 HA VAL 23 -8.005 8.897 -3.174 161 HB VAL 23 HB VAL 23 -7.194 10.660 -4.714 162 HG11 VAL 23 HG11 VAL 23 -9.494 9.043 -5.780 163 HG12 VAL 23 HG12 VAL 23 -7.829 8.477 -5.583 164 HG13 VAL 23 HG13 VAL 23 -8.198 9.752 -6.747 165 HG21 VAL 23 HG21 VAL 23 -8.838 12.013 -5.965 166 HG22 VAL 23 HG22 VAL 23 -8.859 12.356 -4.226 167 HG23 VAL 23 HG23 VAL 23 -10.116 11.352 -4.931 168 H GLU 24 HN GLU 24 -9.875 10.635 -1.361 169 HA GLU 24 HA GLU 24 -7.631 12.137 -0.191 170 HB2 GLU 24 HB2 GLU 24 -9.266 13.819 0.557 171 HB3 GLU 24 HB1 GLU 24 -9.213 13.703 -1.200 172 HG2 GLU 24 HG2 GLU 24 -11.240 12.409 -1.223 173 HG3 GLU 24 HG1 GLU 24 -11.263 12.356 0.536 174 H ASP 25 HN ASP 25 -9.299 9.472 0.106 175 HA ASP 25 HA ASP 25 -10.281 9.834 2.829 176 HB2 ASP 25 HB2 ASP 25 -11.629 8.599 1.169 177 HB3 ASP 25 HB1 ASP 25 -10.347 7.413 1.044 178 H VAL 26 HN VAL 26 -7.762 8.325 1.062 179 HA VAL 26 HA VAL 26 -6.944 6.580 3.165 180 HB VAL 26 HB VAL 26 -5.491 7.306 0.608 181 HG11 VAL 26 HG11 VAL 26 -4.309 5.179 0.927 182 HG12 VAL 26 HG12 VAL 26 -5.139 4.950 2.466 183 HG13 VAL 26 HG13 VAL 26 -4.014 6.294 2.261 184 HG21 VAL 26 HG21 VAL 26 -7.369 5.016 1.192 185 HG22 VAL 26 HG22 VAL 26 -6.444 5.229 -0.296 186 HG23 VAL 26 HG23 VAL 26 -7.698 6.389 0.136 187 H LYS 27 HN LYS 27 -6.597 8.086 4.873 188 HA LYS 27 HA LYS 27 -4.058 9.483 4.710 189 HB2 LYS 27 HB2 LYS 27 -6.072 9.209 6.967 190 HB3 LYS 27 HB1 LYS 27 -4.523 10.005 7.159 191 HG2 LYS 27 HG2 LYS 27 -6.082 11.737 6.861 192 HG3 LYS 27 HG1 LYS 27 -5.260 11.545 5.308 193 HD2 LYS 27 HD2 LYS 27 -7.132 10.299 4.435 194 HD3 LYS 27 HD1 LYS 27 -7.948 10.394 5.995 195 HE2 LYS 27 HE2 LYS 27 -7.221 12.733 4.236 196 HE3 LYS 27 HE1 LYS 27 -8.826 12.026 4.392 197 HZ1 LYS 27 HZ1 LYS 27 -7.289 13.480 6.483 198 HZ2 LYS 27 HZ2 LYS 27 -8.670 12.581 6.805 199 HZ3 LYS 27 HZ3 LYS 27 -8.765 13.914 5.761 200 H LEU 28 HN LEU 28 -2.945 8.872 7.216 201 HA LEU 28 HA LEU 28 -1.754 6.381 6.492 202 HB2 LEU 28 HB2 LEU 28 -1.356 8.103 8.946 203 HB3 LEU 28 HB1 LEU 28 -0.460 6.638 8.636 204 HG LEU 28 HG LEU 28 0.954 8.412 8.073 205 HD11 LEU 28 HD11 LEU 28 1.076 6.604 6.526 206 HD12 LEU 28 HD12 LEU 28 1.384 8.132 5.700 207 HD13 LEU 28 HD13 LEU 28 -0.180 7.334 5.522 208 HD21 LEU 28 HD21 LEU 28 -0.657 10.229 7.911 209 HD22 LEU 28 HD22 LEU 28 -1.257 9.585 6.384 210 HD23 LEU 28 HD23 LEU 28 0.389 10.210 6.491 211 H ASP 29 HN ASP 29 -4.165 7.335 8.729 212 HA ASP 29 HA ASP 29 -4.122 4.907 10.310 213 HB2 ASP 29 HB2 ASP 29 -5.971 7.306 10.285 214 HB3 ASP 29 HB1 ASP 29 -6.166 5.952 11.388 215 H LYS 30 HN LYS 30 -4.530 4.442 7.588 216 HA LYS 30 HA LYS 30 -7.264 3.338 7.506 217 HB2 LYS 30 HB2 LYS 30 -5.581 4.458 5.264 218 HB3 LYS 30 HB1 LYS 30 -7.054 3.537 5.007 219 HG2 LYS 30 HG2 LYS 30 -7.038 6.024 6.677 220 HG3 LYS 30 HG1 LYS 30 -7.183 6.091 4.920 221 HD2 LYS 30 HD2 LYS 30 -9.194 4.749 5.001 222 HD3 LYS 30 HD1 LYS 30 -9.013 4.523 6.742 223 HE2 LYS 30 HE2 LYS 30 -9.479 6.782 7.190 224 HE3 LYS 30 HE1 LYS 30 -9.236 7.244 5.509 225 HZ1 LYS 30 HZ1 LYS 30 -11.228 6.226 4.886 226 HZ2 LYS 30 HZ2 LYS 30 -11.626 7.114 6.287 227 HZ3 LYS 30 HZ3 LYS 30 -11.442 5.451 6.369 228 H SER 31 HN SER 31 -7.220 1.209 7.574 229 HA SER 31 HA SER 31 -4.895 -0.257 6.601 230 HB2 SER 31 HB2 SER 31 -5.318 -0.717 8.852 231 HB3 SER 31 HB1 SER 31 -7.066 -0.953 8.626 232 HG SER 31 HG SER 31 -5.891 -2.871 8.918 233 H PHE 32 HN PHE 32 -5.204 -1.979 5.217 234 HA PHE 32 HA PHE 32 -6.776 -1.221 3.038 235 HB2 PHE 32 HB2 PHE 32 -5.258 -3.773 3.507 236 HB3 PHE 32 HB1 PHE 32 -5.972 -3.304 1.967 237 HD1 PHE 32 HD2 PHE 32 -5.045 -1.462 0.675 238 HD2 PHE 32 HD1 PHE 32 -3.289 -2.674 4.353 239 HE1 PHE 32 HE2 PHE 32 -3.022 -0.186 0.122 240 HE2 PHE 32 HE1 PHE 32 -1.259 -1.400 3.807 241 HZ PHE 32 HZ PHE 32 -1.129 -0.148 1.684 242 H THR 33 HN THR 33 -7.329 -3.921 5.257 243 HA THR 33 HA THR 33 -9.941 -3.971 4.008 244 HB THR 33 HB THR 33 -8.744 -5.905 3.327 245 HG1 THR 33 HG1 THR 33 -11.072 -6.099 4.613 246 HG21 THR 33 HG21 THR 33 -7.110 -6.114 5.097 247 HG22 THR 33 HG22 THR 33 -7.944 -7.656 4.897 248 HG23 THR 33 HG23 THR 33 -8.364 -6.591 6.240 249 H ASP 34 HN ASP 34 -9.361 -2.383 6.059 250 HA ASP 34 HA ASP 34 -11.260 -3.438 8.030 251 HB2 ASP 34 HB2 ASP 34 -8.950 -3.506 9.028 252 HB3 ASP 34 HB1 ASP 34 -8.868 -1.759 8.802 253 H ASP 35 HN ASP 35 -9.398 -0.579 7.275 254 HA ASP 35 HA ASP 35 -11.673 1.157 7.718 255 HB2 ASP 35 HB2 ASP 35 -8.883 1.813 6.746 256 HB3 ASP 35 HB1 ASP 35 -10.107 2.969 7.244 257 H LEU 36 HN LEU 36 -9.727 -0.174 5.128 258 HA LEU 36 HA LEU 36 -11.010 1.536 3.185 259 HB2 LEU 36 HB2 LEU 36 -8.781 -0.480 2.918 260 HB3 LEU 36 HB1 LEU 36 -9.367 0.554 1.637 261 HG LEU 36 HG LEU 36 -7.975 1.470 4.144 262 HD11 LEU 36 HD11 LEU 36 -7.095 1.443 1.263 263 HD12 LEU 36 HD12 LEU 36 -6.487 0.387 2.540 264 HD13 LEU 36 HD13 LEU 36 -6.189 2.126 2.613 265 HD21 LEU 36 HD21 LEU 36 -8.054 3.676 3.115 266 HD22 LEU 36 HD22 LEU 36 -9.670 2.997 3.411 267 HD23 LEU 36 HD23 LEU 36 -9.003 2.989 1.779 268 H ASP 37 HN ASP 37 -11.884 0.585 1.275 269 HA ASP 37 HA ASP 37 -13.518 -1.773 1.916 270 HB2 ASP 37 HB2 ASP 37 -14.609 0.362 1.161 271 HB3 ASP 37 HB1 ASP 37 -13.760 0.224 -0.369 272 H VAL 38 HN VAL 38 -10.901 -2.339 1.439 273 HA VAL 38 HA VAL 38 -10.622 -3.115 -1.364 274 HB VAL 38 HB VAL 38 -8.562 -3.173 0.840 275 HG11 VAL 38 HG11 VAL 38 -8.041 -4.677 -0.991 276 HG12 VAL 38 HG12 VAL 38 -6.940 -3.300 -0.999 277 HG13 VAL 38 HG13 VAL 38 -8.269 -3.373 -2.156 278 HG21 VAL 38 HG21 VAL 38 -7.667 -1.131 -0.162 279 HG22 VAL 38 HG22 VAL 38 -9.299 -0.902 0.467 280 HG23 VAL 38 HG23 VAL 38 -9.037 -1.082 -1.268 281 H ASP 39 HN ASP 39 -11.408 -5.107 -1.759 282 HA ASP 39 HA ASP 39 -11.445 -7.307 -0.019 283 HB2 ASP 39 HB2 ASP 39 -11.008 -7.253 -3.034 284 HB3 ASP 39 HB1 ASP 39 -11.347 -8.702 -2.105 285 H SER 40 HN SER 40 -9.738 -8.290 0.907 286 HA SER 40 HA SER 40 -7.296 -7.186 0.219 287 HB2 SER 40 HB2 SER 40 -6.404 -8.750 2.119 288 HB3 SER 40 HB1 SER 40 -7.339 -7.273 2.392 289 H LEU 41 HN LEU 41 -8.446 -10.327 -0.716 290 HA LEU 41 HA LEU 41 -5.868 -11.155 -1.588 291 HB2 LEU 41 HB2 LEU 41 -8.605 -11.922 -2.554 292 HB3 LEU 41 HB1 LEU 41 -7.200 -12.410 -3.470 293 HG LEU 41 HG LEU 41 -6.375 -13.606 -1.436 294 HD11 LEU 41 HD11 LEU 41 -7.948 -14.121 0.330 295 HD12 LEU 41 HD12 LEU 41 -9.118 -13.013 -0.389 296 HD13 LEU 41 HD13 LEU 41 -7.595 -12.396 0.256 297 HD21 LEU 41 HD21 LEU 41 -7.477 -14.778 -3.235 298 HD22 LEU 41 HD22 LEU 41 -9.051 -14.434 -2.516 299 HD23 LEU 41 HD23 LEU 41 -7.910 -15.483 -1.679 300 H SER 42 HN SER 42 -8.014 -8.819 -2.786 301 HA SER 42 HA SER 42 -6.823 -8.607 -5.376 302 HB2 SER 42 HB2 SER 42 -8.707 -6.804 -3.899 303 HB3 SER 42 HB1 SER 42 -8.444 -6.835 -5.655 304 HG SER 42 HG SER 42 -10.060 -8.177 -5.594 305 H MET 43 HN MET 43 -6.110 -7.480 -2.211 306 HA MET 43 HA MET 43 -4.890 -4.957 -2.903 307 HB2 MET 43 HB2 MET 43 -5.740 -5.833 -0.579 308 HB3 MET 43 HB1 MET 43 -4.189 -6.636 -0.494 309 HG2 MET 43 HG2 MET 43 -4.635 -3.657 -0.704 310 HG3 MET 43 HG1 MET 43 -4.254 -4.537 0.763 311 HE1 MET 43 HE1 MET 43 -1.898 -5.837 1.061 312 HE2 MET 43 HE2 MET 43 -0.525 -5.646 -0.020 313 HE3 MET 43 HE3 MET 43 -1.936 -6.572 -0.542 314 H VAL 44 HN VAL 44 -4.022 -8.239 -2.977 315 HA VAL 44 HA VAL 44 -1.219 -8.010 -3.022 316 HB VAL 44 HB VAL 44 -2.915 -10.067 -4.463 317 HG11 VAL 44 HG11 VAL 44 -0.047 -10.200 -3.545 318 HG12 VAL 44 HG12 VAL 44 -0.600 -10.081 -5.216 319 HG13 VAL 44 HG13 VAL 44 -0.962 -11.525 -4.269 320 HG21 VAL 44 HG21 VAL 44 -1.804 -10.092 -1.655 321 HG22 VAL 44 HG22 VAL 44 -2.636 -11.436 -2.441 322 HG23 VAL 44 HG23 VAL 44 -3.495 -9.929 -2.119 323 H GLU 45 HN GLU 45 -3.644 -7.395 -5.425 324 HA GLU 45 HA GLU 45 -1.899 -7.277 -7.686 325 HB2 GLU 45 HB2 GLU 45 -4.588 -5.938 -7.330 326 HB3 GLU 45 HB1 GLU 45 -3.804 -6.358 -8.845 327 HG2 GLU 45 HG2 GLU 45 -4.815 -8.323 -6.802 328 HG3 GLU 45 HG1 GLU 45 -5.650 -7.863 -8.281 329 H VAL 46 HN VAL 46 -2.830 -5.237 -5.114 330 HA VAL 46 HA VAL 46 -2.086 -2.719 -6.279 331 HB VAL 46 HB VAL 46 -2.544 -3.448 -3.365 332 HG11 VAL 46 HG11 VAL 46 -2.885 -1.043 -3.008 333 HG12 VAL 46 HG12 VAL 46 -2.464 -0.742 -4.693 334 HG13 VAL 46 HG13 VAL 46 -1.258 -1.401 -3.588 335 HG21 VAL 46 HG21 VAL 46 -4.779 -2.460 -3.641 336 HG22 VAL 46 HG22 VAL 46 -4.551 -3.863 -4.684 337 HG23 VAL 46 HG23 VAL 46 -4.460 -2.237 -5.362 338 H VAL 47 HN VAL 47 -0.821 -4.680 -3.614 339 HA VAL 47 HA VAL 47 1.508 -3.236 -3.202 340 HB VAL 47 HB VAL 47 0.717 -4.887 -1.574 341 HG11 VAL 47 HG11 VAL 47 1.154 -7.275 -1.816 342 HG12 VAL 47 HG12 VAL 47 1.710 -6.998 -3.467 343 HG13 VAL 47 HG13 VAL 47 0.029 -6.675 -3.038 344 HG21 VAL 47 HG21 VAL 47 2.885 -5.836 -0.896 345 HG22 VAL 47 HG22 VAL 47 3.012 -4.145 -1.385 346 HG23 VAL 47 HG23 VAL 47 3.542 -5.420 -2.482 347 H VAL 48 HN VAL 48 1.101 -5.938 -5.496 348 HA VAL 48 HA VAL 48 3.860 -6.049 -6.128 349 HB VAL 48 HB VAL 48 2.233 -7.914 -6.541 350 HG11 VAL 48 HG11 VAL 48 0.391 -6.730 -7.494 351 HG12 VAL 48 HG12 VAL 48 0.943 -7.967 -8.627 352 HG13 VAL 48 HG13 VAL 48 1.358 -6.273 -8.896 353 HG21 VAL 48 HG21 VAL 48 3.885 -7.085 -8.922 354 HG22 VAL 48 HG22 VAL 48 3.247 -8.705 -8.644 355 HG23 VAL 48 HG23 VAL 48 4.438 -8.024 -7.535 356 H ALA 49 HN ALA 49 1.294 -4.016 -7.229 357 HA ALA 49 HA ALA 49 2.784 -3.011 -9.506 358 HB1 ALA 49 HB1 ALA 49 0.340 -3.198 -9.647 359 HB2 ALA 49 HB2 ALA 49 0.859 -1.518 -9.822 360 HB3 ALA 49 HB3 ALA 49 0.177 -2.077 -8.294 361 H ALA 50 HN ALA 50 2.191 -2.281 -6.215 362 HA ALA 50 HA ALA 50 2.984 0.428 -6.259 363 HB1 ALA 50 HB1 ALA 50 1.608 -0.527 -4.459 364 HB2 ALA 50 HB2 ALA 50 3.057 0.260 -3.828 365 HB3 ALA 50 HB3 ALA 50 2.982 -1.499 -3.934 366 H GLU 51 HN GLU 51 4.699 -2.582 -5.783 367 HA GLU 51 HA GLU 51 7.131 -1.720 -4.827 368 HB2 GLU 51 HB2 GLU 51 6.620 -3.869 -6.885 369 HB3 GLU 51 HB1 GLU 51 8.151 -3.604 -6.069 370 HG2 GLU 51 HG2 GLU 51 7.041 -4.070 -3.923 371 HG3 GLU 51 HG1 GLU 51 5.566 -4.456 -4.815 372 H GLU 52 HN GLU 52 6.288 -2.074 -8.241 373 HA GLU 52 HA GLU 52 8.679 -0.949 -9.222 374 HB2 GLU 52 HB2 GLU 52 7.371 -0.792 -11.391 375 HB3 GLU 52 HB1 GLU 52 7.560 -2.390 -10.685 376 HG2 GLU 52 HG2 GLU 52 5.346 -2.419 -9.915 377 HG3 GLU 52 HG1 GLU 52 5.098 -0.713 -10.246 378 H ARG 53 HN ARG 53 5.525 0.462 -8.562 379 HA ARG 53 HA ARG 53 6.094 2.871 -9.962 380 HB2 ARG 53 HB2 ARG 53 3.923 2.328 -7.936 381 HB3 ARG 53 HB1 ARG 53 4.043 3.787 -8.906 382 HG2 ARG 53 HG2 ARG 53 3.798 2.430 -10.944 383 HG3 ARG 53 HG1 ARG 53 3.636 0.986 -9.943 384 HD2 ARG 53 HD2 ARG 53 1.672 2.064 -8.842 385 HD3 ARG 53 HD1 ARG 53 1.786 3.368 -10.022 386 HE ARG 53 HE ARG 53 1.631 0.779 -11.243 387 HH11 ARG 53 HH11 ARG 53 -0.376 3.455 -9.981 388 HH12 ARG 53 HH12 ARG 53 -1.784 2.849 -10.742 389 HH21 ARG 53 HH21 ARG 53 -0.316 0.059 -12.229 390 HH22 ARG 53 HH22 ARG 53 -1.770 0.968 -11.999 391 H PHE 54 HN PHE 54 6.384 1.980 -6.552 392 HA PHE 54 HA PHE 54 7.172 4.719 -5.936 393 HB2 PHE 54 HB2 PHE 54 6.818 2.357 -4.093 394 HB3 PHE 54 HB1 PHE 54 7.178 4.006 -3.587 395 HD1 PHE 54 HD2 PHE 54 5.509 5.758 -4.804 396 HD2 PHE 54 HD1 PHE 54 4.671 1.720 -3.826 397 HE1 PHE 54 HE2 PHE 54 3.117 6.271 -4.753 398 HE2 PHE 54 HE1 PHE 54 2.277 2.225 -3.775 399 HZ PHE 54 HZ PHE 54 1.500 4.498 -4.279 400 H ASP 55 HN ASP 55 8.602 1.882 -6.857 401 HA ASP 55 HA ASP 55 10.679 1.131 -7.092 402 HB2 ASP 55 HB2 ASP 55 11.293 3.518 -7.694 403 HB3 ASP 55 HB1 ASP 55 11.649 3.753 -5.977 404 H VAL 56 HN VAL 56 9.805 -0.179 -5.430 405 HA VAL 56 HA VAL 56 11.694 -0.480 -3.280 406 HB VAL 56 HB VAL 56 9.898 1.021 -2.344 407 HG11 VAL 56 HG11 VAL 56 8.006 0.321 -3.635 408 HG12 VAL 56 HG12 VAL 56 7.653 0.154 -1.914 409 HG13 VAL 56 HG13 VAL 56 8.039 -1.272 -2.878 410 HG21 VAL 56 HG21 VAL 56 11.093 -0.430 -0.794 411 HG22 VAL 56 HG22 VAL 56 9.958 -1.741 -1.109 412 HG23 VAL 56 HG23 VAL 56 9.408 -0.272 -0.296 413 H LYS 57 HN LYS 57 11.364 -2.668 -2.346 414 HA LYS 57 HA LYS 57 9.512 -4.295 -3.888 415 HB2 LYS 57 HB2 LYS 57 12.338 -5.095 -3.199 416 HB3 LYS 57 HB1 LYS 57 11.104 -6.238 -3.713 417 HG2 LYS 57 HG2 LYS 57 10.856 -4.712 -5.768 418 HG3 LYS 57 HG1 LYS 57 12.416 -4.056 -5.275 419 HD2 LYS 57 HD2 LYS 57 12.718 -5.824 -6.913 420 HD3 LYS 57 HD1 LYS 57 13.372 -6.319 -5.348 421 HE2 LYS 57 HE2 LYS 57 12.093 -8.130 -6.428 422 HE3 LYS 57 HE1 LYS 57 11.380 -7.637 -4.894 423 HZ1 LYS 57 HZ1 LYS 57 9.647 -6.445 -6.077 424 HZ2 LYS 57 HZ2 LYS 57 9.761 -8.004 -6.720 425 HZ3 LYS 57 HZ3 LYS 57 10.431 -6.714 -7.560 426 H ILE 58 HN ILE 58 8.321 -5.614 -2.838 427 HA ILE 58 HA ILE 58 8.732 -5.766 0.062 428 HB ILE 58 HB ILE 58 6.055 -5.372 -1.332 429 HG12 ILE 58 HG12 ILE 58 7.613 -3.408 0.371 430 HG13 ILE 58 HG11 ILE 58 7.565 -3.367 -1.383 431 HG21 ILE 58 HG21 ILE 58 5.186 -5.066 0.954 432 HG22 ILE 58 HG22 ILE 58 6.789 -5.402 1.608 433 HG23 ILE 58 HG23 ILE 58 5.904 -6.665 0.751 434 HD11 ILE 58 HD11 ILE 58 5.176 -2.978 -1.311 435 HD12 ILE 58 HD12 ILE 58 6.061 -1.745 -0.406 436 HD13 ILE 58 HD13 ILE 58 5.210 -3.035 0.453 437 HA PRO 59 HA PRO 59 8.414 -10.081 -1.295 438 HB2 PRO 59 HB2 PRO 59 9.416 -10.581 1.416 439 HB3 PRO 59 HB1 PRO 59 10.147 -10.998 -0.137 440 HG2 PRO 59 HG2 PRO 59 11.188 -9.098 1.443 441 HG3 PRO 59 HG1 PRO 59 11.224 -8.964 -0.326 442 HD2 PRO 59 HD2 PRO 59 9.350 -7.681 1.635 443 HD3 PRO 59 HD1 PRO 59 10.175 -6.959 0.234 444 H ASP 60 HN ASP 60 7.219 -11.827 -0.655 445 HA ASP 60 HA ASP 60 4.619 -11.556 0.138 446 HB2 ASP 60 HB2 ASP 60 5.558 -13.560 -0.941 447 HB3 ASP 60 HB1 ASP 60 6.354 -13.995 0.563 448 H ASP 61 HN ASP 61 7.322 -12.366 2.217 449 HA ASP 61 HA ASP 61 5.788 -12.852 4.572 450 HB2 ASP 61 HB2 ASP 61 8.728 -12.185 4.314 451 HB3 ASP 61 HB1 ASP 61 7.948 -12.676 5.811 452 H ASP 62 HN ASP 62 7.059 -9.968 3.173 453 HA ASP 62 HA ASP 62 6.559 -8.467 5.599 454 HB2 ASP 62 HB2 ASP 62 7.596 -7.584 2.909 455 HB3 ASP 62 HB1 ASP 62 7.228 -6.460 4.211 456 H VAL 63 HN VAL 63 5.202 -8.910 2.441 457 HA VAL 63 HA VAL 63 3.184 -6.985 2.395 458 HB VAL 63 HB VAL 63 2.955 -9.860 1.410 459 HG11 VAL 63 HG11 VAL 63 0.773 -8.781 1.538 460 HG12 VAL 63 HG12 VAL 63 1.257 -9.001 -0.142 461 HG13 VAL 63 HG13 VAL 63 1.378 -7.411 0.607 462 HG21 VAL 63 HG21 VAL 63 3.841 -7.376 -0.057 463 HG22 VAL 63 HG22 VAL 63 3.602 -8.966 -0.779 464 HG23 VAL 63 HG23 VAL 63 4.870 -8.726 0.425 465 H LYS 64 HN LYS 64 3.037 -10.268 3.679 466 HA LYS 64 HA LYS 64 0.398 -10.014 4.732 467 HB2 LYS 64 HB2 LYS 64 2.556 -12.056 5.204 468 HB3 LYS 64 HB1 LYS 64 0.898 -12.204 5.780 469 HG2 LYS 64 HG2 LYS 64 0.047 -12.291 3.576 470 HG3 LYS 64 HG1 LYS 64 1.603 -11.824 2.891 471 HD2 LYS 64 HD2 LYS 64 2.574 -13.917 3.633 472 HD3 LYS 64 HD1 LYS 64 1.035 -14.378 4.371 473 HE2 LYS 64 HE2 LYS 64 -0.044 -14.483 2.275 474 HE3 LYS 64 HE1 LYS 64 1.313 -13.699 1.463 475 HZ1 LYS 64 HZ1 LYS 64 2.654 -15.606 1.964 476 HZ2 LYS 64 HZ2 LYS 64 1.324 -15.991 1.010 477 HZ3 LYS 64 HZ3 LYS 64 1.322 -16.433 2.650 478 H ASN 65 HN ASN 65 3.287 -8.788 5.885 479 HA ASN 65 HA ASN 65 2.658 -9.208 8.701 480 HB2 ASN 65 HB2 ASN 65 4.977 -9.544 8.040 481 HB3 ASN 65 HB1 ASN 65 5.054 -7.919 7.383 482 HD21 ASN 65 HD21 ASN 65 6.778 -7.388 8.703 483 HD22 ASN 65 HD22 ASN 65 6.612 -7.099 10.387 484 H LEU 66 HN LEU 66 2.543 -6.673 6.296 485 HA LEU 66 HA LEU 66 2.498 -4.517 8.191 486 HB2 LEU 66 HB2 LEU 66 1.630 -4.510 5.301 487 HB3 LEU 66 HB1 LEU 66 2.016 -3.110 6.282 488 HG LEU 66 HG LEU 66 3.963 -5.221 5.353 489 HD11 LEU 66 HD11 LEU 66 4.936 -3.423 4.027 490 HD12 LEU 66 HD12 LEU 66 3.642 -2.345 4.569 491 HD13 LEU 66 HD13 LEU 66 3.261 -3.748 3.573 492 HD21 LEU 66 HD21 LEU 66 4.455 -2.722 6.963 493 HD22 LEU 66 HD22 LEU 66 5.698 -3.793 6.312 494 HD23 LEU 66 HD23 LEU 66 4.586 -4.382 7.546 495 H LYS 67 HN LYS 67 0.516 -2.901 7.917 496 HA LYS 67 HA LYS 67 -1.958 -4.410 7.881 497 HB2 LYS 67 HB2 LYS 67 -2.675 -3.572 10.112 498 HB3 LYS 67 HB1 LYS 67 -1.335 -4.697 10.158 499 HG2 LYS 67 HG2 LYS 67 0.155 -2.631 10.287 500 HG3 LYS 67 HG1 LYS 67 -1.322 -1.746 10.641 501 HD2 LYS 67 HD2 LYS 67 -0.187 -4.048 12.248 502 HD3 LYS 67 HD1 LYS 67 -0.130 -2.351 12.693 503 HE2 LYS 67 HE2 LYS 67 -1.870 -3.225 13.993 504 HE3 LYS 67 HE1 LYS 67 -2.700 -2.455 12.648 505 HZ1 LYS 67 HZ1 LYS 67 -2.113 -5.367 12.818 506 HZ2 LYS 67 HZ2 LYS 67 -3.100 -4.653 11.665 507 HZ3 LYS 67 HZ3 LYS 67 -3.572 -4.685 13.264 508 H THR 68 HN THR 68 -1.105 -1.041 8.879 509 HA THR 68 HA THR 68 -3.329 -0.178 7.242 510 HB THR 68 HB THR 68 -2.752 2.069 8.210 511 HG1 THR 68 HG1 THR 68 -1.339 1.972 10.059 512 HG21 THR 68 HG21 THR 68 -3.403 1.470 10.569 513 HG22 THR 68 HG22 THR 68 -3.364 -0.230 10.056 514 HG23 THR 68 HG23 THR 68 -4.479 0.928 9.297 515 H VAL 69 HN VAL 69 -2.768 1.995 6.062 516 HA VAL 69 HA VAL 69 -0.571 1.468 4.332 517 HB VAL 69 HB VAL 69 -1.093 3.624 3.233 518 HG11 VAL 69 HG11 VAL 69 -3.549 1.990 3.834 519 HG12 VAL 69 HG12 VAL 69 -2.367 1.671 2.563 520 HG13 VAL 69 HG13 VAL 69 -3.375 3.120 2.491 521 HG21 VAL 69 HG21 VAL 69 -1.700 4.915 5.194 522 HG22 VAL 69 HG22 VAL 69 -3.155 3.939 5.394 523 HG23 VAL 69 HG23 VAL 69 -2.979 4.978 3.982 524 H GLY 70 HN GLY 70 -1.096 3.278 7.226 525 HA2 GLY 70 HA2 GLY 70 1.234 4.888 7.124 526 HA3 GLY 70 HA1 GLY 70 0.319 4.464 8.572 527 H ASP 71 HN ASP 71 0.456 1.767 8.609 528 HA ASP 71 HA ASP 71 2.977 1.227 9.716 529 HB2 ASP 71 HB2 ASP 71 0.856 0.006 10.240 530 HB3 ASP 71 HB1 ASP 71 0.934 -0.742 8.654 531 H ALA 72 HN ALA 72 1.721 0.965 6.527 532 HA ALA 72 HA ALA 72 3.782 -0.727 5.498 533 HB1 ALA 72 HB1 ALA 72 1.531 -0.768 4.540 534 HB2 ALA 72 HB2 ALA 72 2.739 -0.335 3.328 535 HB3 ALA 72 HB3 ALA 72 1.713 0.911 4.038 536 H THR 73 HN THR 73 2.955 2.749 5.305 537 HA THR 73 HA THR 73 4.832 3.522 3.493 538 HB THR 73 HB THR 73 4.852 5.784 4.588 539 HG1 THR 73 HG1 THR 73 3.499 4.436 6.599 540 HG21 THR 73 HG21 THR 73 2.179 4.577 3.908 541 HG22 THR 73 HG22 THR 73 3.327 5.317 2.787 542 HG23 THR 73 HG23 THR 73 2.517 6.304 4.001 543 H LYS 74 HN LYS 74 5.374 3.018 6.933 544 HA LYS 74 HA LYS 74 7.950 4.149 7.032 545 HB2 LYS 74 HB2 LYS 74 6.491 3.479 9.021 546 HB3 LYS 74 HB1 LYS 74 6.951 1.821 8.704 547 HG2 LYS 74 HG2 LYS 74 8.906 4.026 9.409 548 HG3 LYS 74 HG1 LYS 74 8.197 2.923 10.576 549 HD2 LYS 74 HD2 LYS 74 9.288 1.028 9.427 550 HD3 LYS 74 HD1 LYS 74 9.987 2.148 8.257 551 HE2 LYS 74 HE2 LYS 74 11.167 3.288 10.095 552 HE3 LYS 74 HE1 LYS 74 10.492 2.126 11.230 553 HZ1 LYS 74 HZ1 LYS 74 12.714 1.500 10.670 554 HZ2 LYS 74 HZ2 LYS 74 12.432 1.522 9.028 555 HZ3 LYS 74 HZ3 LYS 74 11.672 0.359 10.014 556 H TYR 75 HN TYR 75 6.878 0.772 6.568 557 HA TYR 75 HA TYR 75 9.446 -0.308 6.224 558 HB2 TYR 75 HB2 TYR 75 7.567 -1.804 6.649 559 HB3 TYR 75 HB1 TYR 75 6.805 -1.334 5.129 560 HD1 TYR 75 HD1 TYR 75 9.713 -3.133 6.584 561 HD2 TYR 75 HD2 TYR 75 7.436 -2.351 3.074 562 HE1 TYR 75 HE1 TYR 75 10.836 -4.996 5.451 563 HE2 TYR 75 HE2 TYR 75 8.561 -4.211 1.931 564 HH TYR 75 HH TYR 75 10.798 -5.421 2.175 565 H ILE 76 HN ILE 76 7.138 0.898 3.875 566 HA ILE 76 HA ILE 76 8.526 0.294 1.521 567 HB ILE 76 HB ILE 76 6.760 2.713 2.053 568 HG12 ILE 76 HG12 ILE 76 6.014 0.031 0.876 569 HG13 ILE 76 HG11 ILE 76 5.722 0.487 2.552 570 HG21 ILE 76 HG21 ILE 76 6.387 2.682 -0.374 571 HG22 ILE 76 HG22 ILE 76 7.519 1.340 -0.532 572 HG23 ILE 76 HG23 ILE 76 8.094 2.919 0.002 573 HD11 ILE 76 HD11 ILE 76 3.724 0.757 1.201 574 HD12 ILE 76 HD12 ILE 76 4.597 1.861 0.129 575 HD13 ILE 76 HD13 ILE 76 4.309 2.307 1.809 576 H LEU 77 HN LEU 77 8.396 3.465 3.165 577 HA LEU 77 HA LEU 77 10.354 4.788 1.709 578 HB2 LEU 77 HB2 LEU 77 8.701 5.790 3.235 579 HB3 LEU 77 HB1 LEU 77 9.616 5.084 4.551 580 HG LEU 77 HG LEU 77 11.523 6.558 3.999 581 HD11 LEU 77 HD11 LEU 77 9.618 7.777 2.008 582 HD12 LEU 77 HD12 LEU 77 11.080 6.869 1.629 583 HD13 LEU 77 HD13 LEU 77 11.195 8.423 2.457 584 HD21 LEU 77 HD21 LEU 77 9.902 7.224 5.695 585 HD22 LEU 77 HD22 LEU 77 8.913 8.000 4.457 586 HD23 LEU 77 HD23 LEU 77 10.522 8.627 4.825 587 H ASP 78 HN ASP 78 10.641 2.591 4.337 588 HA ASP 78 HA ASP 78 13.353 3.151 5.089 589 HB2 ASP 78 HB2 ASP 78 11.640 2.109 6.575 590 HB3 ASP 78 HB1 ASP 78 11.694 0.673 5.571 591 H HIS 79 HN HIS 79 11.765 0.746 3.065 592 HA HIS 79 HA HIS 79 14.269 -0.655 2.551 593 HB2 HIS 79 HB2 HIS 79 11.958 -1.727 3.034 594 HB3 HIS 79 HB1 HIS 79 11.595 -1.345 1.358 595 HD1 HIS 79 HD1 HIS 79 12.879 -2.765 -0.472 596 HD2 HIS 79 HD2 HIS 79 13.706 -3.853 3.442 597 HE1 HIS 79 HE1 HIS 79 13.957 -4.995 -0.614 598 HE2 HIS 79 HE2 HIS 79 14.162 -5.744 1.759 599 H GLN 80 HN GLN 80 12.284 1.703 1.013 600 HA GLN 80 HA GLN 80 12.606 1.244 -1.693 601 HB2 GLN 80 HB2 GLN 80 12.350 3.786 -0.169 602 HB3 GLN 80 HB1 GLN 80 12.556 3.787 -1.912 603 HG2 GLN 80 HG2 GLN 80 10.557 2.459 -2.157 604 HG3 GLN 80 HG1 GLN 80 10.365 2.414 -0.405 605 HE21 GLN 80 HE21 GLN 80 11.304 5.233 -0.140 606 HE22 GLN 80 HE22 GLN 80 9.925 6.125 -0.650 607 H ALA 81 HN ALA 81 14.181 1.119 -3.030 608 HA ALA 81 HA ALA 81 16.003 2.788 -3.806 609 HB1 ALA 81 HB1 ALA 81 17.243 0.981 -1.704 610 HB2 ALA 81 HB2 ALA 81 17.137 2.748 -1.636 611 HB3 ALA 81 HB3 ALA 81 18.142 1.972 -2.870 612 H28 SXO 101 H28B SXO 101 -6.013 -9.827 3.776 613 H28A SXO 101 H28A SXO 101 -4.900 -10.767 2.796 614 H30 SXO 101 H30A SXO 101 -6.900 -10.732 5.713 615 H30A SXO 101 H30C SXO 101 -7.707 -11.989 4.776 616 H30B SXO 101 H30B SXO 101 -6.729 -12.430 6.200 617 H31 SXO 101 H31A SXO 101 -5.298 -13.917 4.769 618 H31A SXO 101 H31B SXO 101 -4.556 -13.203 3.327 619 H31B SXO 101 H31C SXO 101 -6.299 -13.475 3.378 620 H32 SXO 101 H32A SXO 101 -4.590 -10.455 5.895 621 HO33 SXO 101 H33A SXO 101 -3.383 -12.625 6.516 622 HN36 SXO 101 H36A SXO 101 -3.674 -10.047 3.571 623 H37 SXO 101 H37A SXO 101 -1.130 -9.547 3.594 624 H37A SXO 101 H37B SXO 101 -1.113 -11.253 3.107 625 H38 SXO 101 H38B SXO 101 -2.377 -10.746 1.148 626 H38A SXO 101 H38A SXO 101 -0.996 -9.649 1.204 627 HN41 SXO 101 H41A SXO 101 -2.886 -8.508 3.397 628 H42 SXO 101 H42A SXO 101 -3.799 -6.119 2.106 629 H42A SXO 101 H42B SXO 101 -5.103 -7.243 2.245 630 H43 SXO 101 H43B SXO 101 -5.454 -6.096 4.056 631 H43A SXO 101 H43A SXO 101 -4.587 -7.440 4.753 632 H2 SXO 101 H2A SXO 101 0.191 -6.185 4.617 633 H2A SXO 101 H2B SXO 101 -0.596 -4.772 5.328 634 H3 SXO 101 H3B SXO 101 -0.702 -5.648 2.462 635 H3A SXO 101 H3A SXO 101 -1.549 -4.247 3.122 636 H4 SXO 101 H4A SXO 101 1.443 -4.655 2.976 637 H4A SXO 101 H4B SXO 101 0.635 -3.254 3.694 638 H5 SXO 101 H5B SXO 101 0.370 -4.168 0.832 639 H5A SXO 101 H5A SXO 101 -0.431 -2.778 1.551 640 H6 SXO 101 H6A SXO 101 2.536 -3.149 1.196 641 H6A SXO 101 H6B SXO 101 1.759 -1.754 1.956 642 H7 SXO 101 H7A SXO 101 0.571 -1.273 -0.136 643 H7A SXO 101 H7B SXO 101 1.329 -2.689 -0.890 644 H8 SXO 101 H8C SXO 101 2.759 -0.282 0.214 645 H8A SXO 101 H8A SXO 101 2.478 -0.627 -1.492 646 H8B SXO 101 H8B SXO 101 3.517 -1.687 -0.539 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 12.865 8.430 -3.598 2 H2 ALA 1 HT2 ALA 1 13.395 6.963 -4.270 3 H3 ALA 1 HT3 ALA 1 12.109 6.982 -3.194 4 HA ALA 1 HA ALA 1 12.092 8.234 -5.861 5 HB1 ALA 1 HB1 ALA 1 10.611 5.815 -4.823 6 HB2 ALA 1 HB2 ALA 1 11.973 5.787 -5.939 7 HB3 ALA 1 HB3 ALA 1 10.444 6.519 -6.433 8 H ALA 2 HN ALA 2 10.221 7.510 -2.859 9 HA ALA 2 HA ALA 2 8.875 10.044 -3.068 10 HB1 ALA 2 HB1 ALA 2 7.454 8.647 -4.514 11 HB2 ALA 2 HB2 ALA 2 6.611 9.076 -3.026 12 HB3 ALA 2 HB3 ALA 2 7.298 7.461 -3.219 13 H THR 3 HN THR 3 7.845 10.567 -0.996 14 HA THR 3 HA THR 3 8.682 8.683 1.067 15 HB THR 3 HB THR 3 8.206 11.605 1.711 16 HG1 THR 3 HG1 THR 3 10.489 10.399 0.462 17 HG21 THR 3 HG21 THR 3 8.750 9.931 3.539 18 HG22 THR 3 HG22 THR 3 9.963 11.192 3.365 19 HG23 THR 3 HG23 THR 3 10.258 9.594 2.690 20 H GLN 4 HN GLN 4 7.042 10.103 3.164 21 HA GLN 4 HA GLN 4 5.203 8.055 3.216 22 HB2 GLN 4 HB2 GLN 4 6.060 9.103 5.179 23 HB3 GLN 4 HB1 GLN 4 5.278 10.616 4.756 24 HG2 GLN 4 HG2 GLN 4 3.099 9.561 5.046 25 HG3 GLN 4 HG1 GLN 4 3.895 8.046 5.473 26 HE21 GLN 4 HE21 GLN 4 6.041 9.456 6.920 27 HE22 GLN 4 HE22 GLN 4 5.344 9.944 8.407 28 H GLU 5 HN GLU 5 4.428 11.511 2.679 29 HA GLU 5 HA GLU 5 1.693 10.925 2.339 30 HB2 GLU 5 HB2 GLU 5 3.186 13.389 1.433 31 HB3 GLU 5 HB1 GLU 5 1.441 13.220 1.521 32 HG2 GLU 5 HG2 GLU 5 1.851 14.334 3.484 33 HG3 GLU 5 HG1 GLU 5 1.930 12.634 3.977 34 H GLU 6 HN GLU 6 4.357 11.247 0.147 35 HA GLU 6 HA GLU 6 2.823 11.114 -2.220 36 HB2 GLU 6 HB2 GLU 6 5.718 10.522 -1.665 37 HB3 GLU 6 HB1 GLU 6 5.015 10.457 -3.276 38 HG2 GLU 6 HG2 GLU 6 5.071 12.869 -1.486 39 HG3 GLU 6 HG1 GLU 6 6.135 12.580 -2.869 40 H ILE 7 HN ILE 7 4.141 8.701 -0.077 41 HA ILE 7 HA ILE 7 3.748 6.521 -1.824 42 HB ILE 7 HB ILE 7 3.729 6.499 1.207 43 HG12 ILE 7 HG12 ILE 7 5.860 7.259 0.403 44 HG13 ILE 7 HG11 ILE 7 6.039 5.613 0.990 45 HG21 ILE 7 HG21 ILE 7 2.635 4.508 0.322 46 HG22 ILE 7 HG22 ILE 7 4.199 4.079 1.013 47 HG23 ILE 7 HG23 ILE 7 4.013 4.199 -0.736 48 HD11 ILE 7 HD11 ILE 7 7.270 6.091 -1.047 49 HD12 ILE 7 HD12 ILE 7 5.758 6.381 -1.908 50 HD13 ILE 7 HD13 ILE 7 6.124 4.776 -1.266 51 H VAL 8 HN VAL 8 1.903 7.844 0.875 52 HA VAL 8 HA VAL 8 -0.417 6.357 0.887 53 HB VAL 8 HB VAL 8 0.009 9.321 1.408 54 HG11 VAL 8 HG11 VAL 8 -2.123 9.308 2.590 55 HG12 VAL 8 HG12 VAL 8 -2.405 7.647 2.080 56 HG13 VAL 8 HG13 VAL 8 -2.354 8.941 0.881 57 HG21 VAL 8 HG21 VAL 8 1.177 7.787 2.885 58 HG22 VAL 8 HG22 VAL 8 -0.359 6.974 3.229 59 HG23 VAL 8 HG23 VAL 8 -0.115 8.642 3.733 60 H ALA 9 HN ALA 9 0.275 9.220 -1.082 61 HA ALA 9 HA ALA 9 -2.181 9.360 -2.425 62 HB1 ALA 9 HB1 ALA 9 -0.571 11.197 -2.361 63 HB2 ALA 9 HB2 ALA 9 -1.023 10.793 -4.018 64 HB3 ALA 9 HB3 ALA 9 0.533 10.265 -3.374 65 H GLY 10 HN GLY 10 0.829 7.708 -3.243 66 HA2 GLY 10 HA2 GLY 10 -0.002 6.858 -5.830 67 HA3 GLY 10 HA1 GLY 10 1.372 6.231 -4.926 68 H LEU 11 HN LEU 11 -0.055 5.420 -2.645 69 HA LEU 11 HA LEU 11 -0.808 2.814 -3.282 70 HB2 LEU 11 HB2 LEU 11 -1.516 4.513 -0.896 71 HB3 LEU 11 HB1 LEU 11 -1.898 2.813 -1.013 72 HG LEU 11 HG LEU 11 0.896 3.958 -1.047 73 HD11 LEU 11 HD11 LEU 11 -0.635 2.575 1.152 74 HD12 LEU 11 HD12 LEU 11 -0.166 4.273 1.121 75 HD13 LEU 11 HD13 LEU 11 1.070 3.018 1.211 76 HD21 LEU 11 HD21 LEU 11 0.705 1.849 -2.254 77 HD22 LEU 11 HD22 LEU 11 -0.100 1.114 -0.866 78 HD23 LEU 11 HD23 LEU 11 1.583 1.625 -0.740 79 H ALA 12 HN ALA 12 -2.768 5.670 -2.674 80 HA ALA 12 HA ALA 12 -5.207 4.295 -3.059 81 HB1 ALA 12 HB1 ALA 12 -4.761 7.252 -3.221 82 HB2 ALA 12 HB2 ALA 12 -4.993 6.335 -1.727 83 HB3 ALA 12 HB3 ALA 12 -6.275 6.375 -2.953 84 H GLU 13 HN GLU 13 -2.975 5.833 -5.231 85 HA GLU 13 HA GLU 13 -4.724 6.136 -7.417 86 HB2 GLU 13 HB2 GLU 13 -1.764 5.560 -7.391 87 HB3 GLU 13 HB1 GLU 13 -2.678 5.913 -8.849 88 HG2 GLU 13 HG2 GLU 13 -3.251 8.114 -7.919 89 HG3 GLU 13 HG1 GLU 13 -2.264 7.744 -6.504 90 H ILE 14 HN ILE 14 -2.719 3.397 -6.467 91 HA ILE 14 HA ILE 14 -3.830 1.841 -8.583 92 HB ILE 14 HB ILE 14 -2.231 0.875 -6.165 93 HG12 ILE 14 HG12 ILE 14 -0.518 0.293 -7.974 94 HG13 ILE 14 HG11 ILE 14 -1.485 1.255 -9.077 95 HG21 ILE 14 HG21 ILE 14 -2.079 -1.287 -7.312 96 HG22 ILE 14 HG22 ILE 14 -3.178 -0.667 -8.557 97 HG23 ILE 14 HG23 ILE 14 -3.742 -0.851 -6.897 98 HD11 ILE 14 HD11 ILE 14 0.421 2.489 -8.277 99 HD12 ILE 14 HD12 ILE 14 -0.071 2.220 -6.611 100 HD13 ILE 14 HD13 ILE 14 -1.067 3.224 -7.671 101 H VAL 15 HN VAL 15 -4.489 2.109 -5.100 102 HA VAL 15 HA VAL 15 -6.407 0.084 -5.175 103 HB VAL 15 HB VAL 15 -6.226 2.309 -3.096 104 HG11 VAL 15 HG11 VAL 15 -8.431 1.250 -3.124 105 HG12 VAL 15 HG12 VAL 15 -7.526 0.818 -1.671 106 HG13 VAL 15 HG13 VAL 15 -7.668 -0.334 -2.999 107 HG21 VAL 15 HG21 VAL 15 -5.180 0.629 -1.698 108 HG22 VAL 15 HG22 VAL 15 -4.222 0.881 -3.167 109 HG23 VAL 15 HG23 VAL 15 -5.258 -0.541 -3.004 110 H ASN 16 HN ASN 16 -6.677 3.373 -6.193 111 HA ASN 16 HA ASN 16 -9.514 3.530 -6.192 112 HB2 ASN 16 HB2 ASN 16 -8.266 5.597 -6.357 113 HB3 ASN 16 HB1 ASN 16 -7.471 5.057 -7.830 114 HD21 ASN 16 HD21 ASN 16 -10.473 6.269 -6.468 115 HD22 ASN 16 HD22 ASN 16 -11.197 6.694 -7.974 116 H GLU 17 HN GLU 17 -7.181 2.398 -8.597 117 HA GLU 17 HA GLU 17 -9.322 1.955 -10.440 118 HB2 GLU 17 HB2 GLU 17 -7.628 0.912 -11.928 119 HB3 GLU 17 HB1 GLU 17 -7.203 2.533 -11.419 120 HG2 GLU 17 HG2 GLU 17 -5.641 1.595 -9.782 121 HG3 GLU 17 HG1 GLU 17 -6.074 -0.028 -10.321 122 H ILE 18 HN ILE 18 -7.688 0.102 -8.062 123 HA ILE 18 HA ILE 18 -8.751 -2.424 -8.962 124 HB ILE 18 HB ILE 18 -7.407 -1.641 -6.362 125 HG12 ILE 18 HG12 ILE 18 -5.926 -1.456 -8.281 126 HG13 ILE 18 HG11 ILE 18 -5.453 -2.828 -7.289 127 HG21 ILE 18 HG21 ILE 18 -8.821 -3.587 -5.982 128 HG22 ILE 18 HG22 ILE 18 -7.116 -4.031 -5.914 129 HG23 ILE 18 HG23 ILE 18 -8.073 -4.419 -7.347 130 HD11 ILE 18 HD11 ILE 18 -7.010 -2.946 -9.859 131 HD12 ILE 18 HD12 ILE 18 -6.563 -4.331 -8.864 132 HD13 ILE 18 HD13 ILE 18 -5.306 -3.363 -9.650 133 H ALA 19 HN ALA 19 -9.465 -0.305 -6.134 134 HA ALA 19 HA ALA 19 -11.847 -1.974 -5.705 135 HB1 ALA 19 HB1 ALA 19 -10.444 -0.219 -3.710 136 HB2 ALA 19 HB2 ALA 19 -10.200 -1.953 -3.903 137 HB3 ALA 19 HB3 ALA 19 -11.775 -1.340 -3.387 138 H GLY 20 HN GLY 20 -10.908 1.195 -6.559 139 HA2 GLY 20 HA2 GLY 20 -12.325 2.834 -7.416 140 HA3 GLY 20 HA1 GLY 20 -13.701 1.929 -6.813 141 H ILE 21 HN ILE 21 -11.079 2.728 -4.693 142 HA ILE 21 HA ILE 21 -12.901 4.243 -3.061 143 HB ILE 21 HB ILE 21 -10.928 4.504 -1.499 144 HG12 ILE 21 HG12 ILE 21 -9.079 2.803 -1.822 145 HG13 ILE 21 HG11 ILE 21 -9.625 2.627 -3.477 146 HG21 ILE 21 HG21 ILE 21 -11.007 2.200 -0.705 147 HG22 ILE 21 HG22 ILE 21 -11.799 1.727 -2.211 148 HG23 ILE 21 HG23 ILE 21 -12.589 2.858 -1.106 149 HD11 ILE 21 HD11 ILE 21 -9.055 4.979 -3.885 150 HD12 ILE 21 HD12 ILE 21 -7.667 4.036 -3.342 151 HD13 ILE 21 HD13 ILE 21 -8.490 5.118 -2.219 152 HA PRO 22 HA PRO 22 -11.649 8.376 -4.189 153 HB2 PRO 22 HB2 PRO 22 -11.655 8.996 -1.290 154 HB3 PRO 22 HB1 PRO 22 -12.607 9.727 -2.586 155 HG2 PRO 22 HG2 PRO 22 -13.729 8.105 -0.785 156 HG3 PRO 22 HG1 PRO 22 -14.245 8.103 -2.482 157 HD2 PRO 22 HD2 PRO 22 -12.486 6.172 -1.031 158 HD3 PRO 22 HD1 PRO 22 -13.737 5.861 -2.254 159 H VAL 23 HN VAL 23 -9.687 9.592 -4.119 160 HA VAL 23 HA VAL 23 -7.484 8.013 -3.232 161 HB VAL 23 HB VAL 23 -7.348 9.325 -5.339 162 HG11 VAL 23 HG11 VAL 23 -7.194 11.746 -3.573 163 HG12 VAL 23 HG12 VAL 23 -8.482 11.339 -4.702 164 HG13 VAL 23 HG13 VAL 23 -6.865 11.713 -5.306 165 HG21 VAL 23 HG21 VAL 23 -5.317 8.557 -4.310 166 HG22 VAL 23 HG22 VAL 23 -5.241 10.000 -3.308 167 HG23 VAL 23 HG23 VAL 23 -5.034 10.132 -5.065 168 H GLU 24 HN GLU 24 -9.338 10.404 -1.793 169 HA GLU 24 HA GLU 24 -7.362 11.141 0.202 170 HB2 GLU 24 HB2 GLU 24 -9.155 12.452 1.201 171 HB3 GLU 24 HB1 GLU 24 -9.057 12.765 -0.528 172 HG2 GLU 24 HG2 GLU 24 -10.973 11.432 -0.966 173 HG3 GLU 24 HG1 GLU 24 -10.994 10.816 0.686 174 H ASP 25 HN ASP 25 -9.267 8.466 -0.319 175 HA ASP 25 HA ASP 25 -10.262 8.108 2.360 176 HB2 ASP 25 HB2 ASP 25 -11.508 7.263 0.400 177 HB3 ASP 25 HB1 ASP 25 -10.168 6.178 0.060 178 H VAL 26 HN VAL 26 -7.725 6.712 0.392 179 HA VAL 26 HA VAL 26 -6.755 4.994 2.531 180 HB VAL 26 HB VAL 26 -5.546 5.653 -0.174 181 HG11 VAL 26 HG11 VAL 26 -4.881 3.428 1.754 182 HG12 VAL 26 HG12 VAL 26 -3.867 4.826 1.392 183 HG13 VAL 26 HG13 VAL 26 -4.197 3.625 0.141 184 HG21 VAL 26 HG21 VAL 26 -6.397 3.468 -0.883 185 HG22 VAL 26 HG22 VAL 26 -7.699 4.565 -0.411 186 HG23 VAL 26 HG23 VAL 26 -7.188 3.281 0.682 187 H LYS 27 HN LYS 27 -6.223 6.329 4.148 188 HA LYS 27 HA LYS 27 -3.856 7.991 3.716 189 HB2 LYS 27 HB2 LYS 27 -6.254 8.587 5.448 190 HB3 LYS 27 HB1 LYS 27 -4.726 9.452 5.587 191 HG2 LYS 27 HG2 LYS 27 -6.298 9.267 3.036 192 HG3 LYS 27 HG1 LYS 27 -6.464 10.585 4.200 193 HD2 LYS 27 HD2 LYS 27 -4.285 11.347 3.824 194 HD3 LYS 27 HD1 LYS 27 -3.787 9.826 3.080 195 HE2 LYS 27 HE2 LYS 27 -4.969 10.253 1.144 196 HE3 LYS 27 HE1 LYS 27 -5.894 11.584 1.856 197 HZ1 LYS 27 HZ1 LYS 27 -2.933 11.662 1.299 198 HZ2 LYS 27 HZ2 LYS 27 -3.924 12.923 1.881 199 HZ3 LYS 27 HZ3 LYS 27 -4.147 12.321 0.339 200 H LEU 28 HN LEU 28 -2.989 8.506 6.134 201 HA LEU 28 HA LEU 28 -1.603 6.177 6.765 202 HB2 LEU 28 HB2 LEU 28 -1.950 8.701 8.379 203 HB3 LEU 28 HB1 LEU 28 -0.866 7.412 8.831 204 HG LEU 28 HG LEU 28 0.445 9.104 7.894 205 HD11 LEU 28 HD11 LEU 28 1.178 6.966 7.257 206 HD12 LEU 28 HD12 LEU 28 1.457 8.080 5.919 207 HD13 LEU 28 HD13 LEU 28 0.106 6.945 5.858 208 HD21 LEU 28 HD21 LEU 28 -1.310 9.145 5.432 209 HD22 LEU 28 HD22 LEU 28 0.130 10.125 5.711 210 HD23 LEU 28 HD23 LEU 28 -1.304 10.365 6.707 211 H ASP 29 HN ASP 29 -4.496 7.489 8.170 212 HA ASP 29 HA ASP 29 -4.455 5.884 10.537 213 HB2 ASP 29 HB2 ASP 29 -6.622 6.886 10.999 214 HB3 ASP 29 HB1 ASP 29 -5.465 8.115 10.507 215 H LYS 30 HN LYS 30 -5.091 5.034 7.428 216 HA LYS 30 HA LYS 30 -7.348 3.276 8.093 217 HB2 LYS 30 HB2 LYS 30 -6.182 4.007 5.410 218 HB3 LYS 30 HB1 LYS 30 -7.599 3.007 5.678 219 HG2 LYS 30 HG2 LYS 30 -7.362 5.911 6.441 220 HG3 LYS 30 HG1 LYS 30 -8.127 5.309 4.973 221 HD2 LYS 30 HD2 LYS 30 -9.742 4.071 6.350 222 HD3 LYS 30 HD1 LYS 30 -8.971 4.711 7.804 223 HE2 LYS 30 HE2 LYS 30 -10.924 6.021 7.332 224 HE3 LYS 30 HE1 LYS 30 -9.490 6.991 7.014 225 HZ1 LYS 30 HZ1 LYS 30 -11.006 7.369 5.306 226 HZ2 LYS 30 HZ2 LYS 30 -11.323 5.758 5.029 227 HZ3 LYS 30 HZ3 LYS 30 -9.805 6.410 4.593 228 H SER 31 HN SER 31 -7.108 1.093 8.065 229 HA SER 31 HA SER 31 -4.644 -0.032 6.969 230 HB2 SER 31 HB2 SER 31 -4.903 -0.716 9.204 231 HB3 SER 31 HB1 SER 31 -6.616 -1.071 9.044 232 HG SER 31 HG SER 31 -5.863 -3.040 8.749 233 H PHE 32 HN PHE 32 -4.912 -2.000 5.592 234 HA PHE 32 HA PHE 32 -6.633 -1.147 3.533 235 HB2 PHE 32 HB2 PHE 32 -4.735 -3.457 3.708 236 HB3 PHE 32 HB1 PHE 32 -5.739 -3.161 2.287 237 HD1 PHE 32 HD1 PHE 32 -3.141 -1.653 4.455 238 HD2 PHE 32 HD2 PHE 32 -5.117 -1.536 0.686 239 HE1 PHE 32 HE1 PHE 32 -1.473 -0.050 3.637 240 HE2 PHE 32 HE2 PHE 32 -3.449 0.077 -0.137 241 HZ PHE 32 HZ PHE 32 -1.685 0.866 1.312 242 H THR 33 HN THR 33 -6.882 -4.152 5.450 243 HA THR 33 HA THR 33 -9.587 -3.973 4.437 244 HB THR 33 HB THR 33 -8.518 -5.891 3.404 245 HG1 THR 33 HG1 THR 33 -10.659 -6.321 5.161 246 HG21 THR 33 HG21 THR 33 -8.121 -6.981 6.193 247 HG22 THR 33 HG22 THR 33 -6.855 -6.471 5.077 248 HG23 THR 33 HG23 THR 33 -7.839 -7.885 4.705 249 H ASP 34 HN ASP 34 -8.980 -2.579 6.442 250 HA ASP 34 HA ASP 34 -10.598 -3.754 8.622 251 HB2 ASP 34 HB2 ASP 34 -8.149 -2.043 8.977 252 HB3 ASP 34 HB1 ASP 34 -9.306 -2.330 10.259 253 H ASP 35 HN ASP 35 -9.155 -0.850 7.248 254 HA ASP 35 HA ASP 35 -11.517 0.672 8.093 255 HB2 ASP 35 HB2 ASP 35 -8.793 1.629 7.245 256 HB3 ASP 35 HB1 ASP 35 -10.142 2.668 7.682 257 H LEU 36 HN LEU 36 -9.542 -0.280 5.383 258 HA LEU 36 HA LEU 36 -11.150 1.328 3.601 259 HB2 LEU 36 HB2 LEU 36 -8.949 -0.650 2.996 260 HB3 LEU 36 HB1 LEU 36 -9.673 0.473 1.866 261 HG LEU 36 HG LEU 36 -7.978 1.229 4.243 262 HD11 LEU 36 HD11 LEU 36 -6.693 0.175 2.457 263 HD12 LEU 36 HD12 LEU 36 -6.342 1.901 2.565 264 HD13 LEU 36 HD13 LEU 36 -7.394 1.294 1.285 265 HD21 LEU 36 HD21 LEU 36 -9.664 2.891 3.753 266 HD22 LEU 36 HD22 LEU 36 -9.186 2.896 2.055 267 HD23 LEU 36 HD23 LEU 36 -8.064 3.479 3.292 268 H ASP 37 HN ASP 37 -12.255 0.283 1.877 269 HA ASP 37 HA ASP 37 -13.509 -2.222 2.784 270 HB2 ASP 37 HB2 ASP 37 -15.321 -1.785 1.199 271 HB3 ASP 37 HB1 ASP 37 -15.030 -0.351 2.165 272 H VAL 38 HN VAL 38 -10.947 -1.866 1.559 273 HA VAL 38 HA VAL 38 -11.020 -3.256 -0.990 274 HB VAL 38 HB VAL 38 -8.646 -2.424 0.676 275 HG11 VAL 38 HG11 VAL 38 -8.123 -4.000 -1.086 276 HG12 VAL 38 HG12 VAL 38 -7.452 -2.414 -1.464 277 HG13 VAL 38 HG13 VAL 38 -8.913 -2.967 -2.277 278 HG21 VAL 38 HG21 VAL 38 -10.031 -0.469 0.316 279 HG22 VAL 38 HG22 VAL 38 -10.100 -0.806 -1.411 280 HG23 VAL 38 HG23 VAL 38 -8.565 -0.366 -0.657 281 H ASP 39 HN ASP 39 -11.598 -5.351 -0.524 282 HA ASP 39 HA ASP 39 -10.839 -6.847 1.701 283 HB2 ASP 39 HB2 ASP 39 -12.607 -7.588 0.155 284 HB3 ASP 39 HB1 ASP 39 -11.405 -7.841 -1.108 285 H SER 40 HN SER 40 -9.206 -8.451 1.958 286 HA SER 40 HA SER 40 -6.695 -7.481 1.310 287 HB2 SER 40 HB2 SER 40 -5.940 -9.575 2.414 288 HB3 SER 40 HB1 SER 40 -7.143 -8.584 3.278 289 H LEU 41 HN LEU 41 -8.575 -10.125 -0.116 290 HA LEU 41 HA LEU 41 -6.424 -11.096 -1.648 291 HB2 LEU 41 HB2 LEU 41 -9.400 -11.398 -2.048 292 HB3 LEU 41 HB1 LEU 41 -8.237 -12.124 -3.131 293 HG LEU 41 HG LEU 41 -7.337 -13.404 -1.151 294 HD11 LEU 41 HD11 LEU 41 -8.180 -12.024 0.651 295 HD12 LEU 41 HD12 LEU 41 -8.775 -13.679 0.796 296 HD13 LEU 41 HD13 LEU 41 -9.837 -12.408 0.190 297 HD21 LEU 41 HD21 LEU 41 -8.787 -14.422 -2.797 298 HD22 LEU 41 HD22 LEU 41 -10.209 -13.849 -1.924 299 HD23 LEU 41 HD23 LEU 41 -9.143 -15.045 -1.188 300 H SER 42 HN SER 42 -8.511 -8.444 -1.991 301 HA SER 42 HA SER 42 -8.090 -7.955 -4.784 302 HB2 SER 42 HB2 SER 42 -9.219 -6.339 -2.538 303 HB3 SER 42 HB1 SER 42 -9.338 -5.859 -4.251 304 HG SER 42 HG SER 42 -11.212 -6.903 -3.836 305 H MET 43 HN MET 43 -6.648 -7.009 -1.716 306 HA MET 43 HA MET 43 -5.222 -4.720 -2.675 307 HB2 MET 43 HB2 MET 43 -5.833 -5.346 -0.230 308 HB3 MET 43 HB1 MET 43 -4.443 -6.410 -0.289 309 HG2 MET 43 HG2 MET 43 -4.331 -3.429 -0.729 310 HG3 MET 43 HG1 MET 43 -4.054 -4.214 0.817 311 HE1 MET 43 HE1 MET 43 -2.338 -6.778 -0.079 312 HE2 MET 43 HE2 MET 43 -1.875 -5.777 1.299 313 HE3 MET 43 HE3 MET 43 -0.691 -6.164 0.064 314 H VAL 44 HN VAL 44 -4.765 -8.036 -2.742 315 HA VAL 44 HA VAL 44 -1.999 -8.327 -3.067 316 HB VAL 44 HB VAL 44 -4.107 -9.980 -4.508 317 HG11 VAL 44 HG11 VAL 44 -2.452 -11.786 -4.470 318 HG12 VAL 44 HG12 VAL 44 -1.276 -10.692 -3.743 319 HG13 VAL 44 HG13 VAL 44 -1.870 -10.389 -5.376 320 HG21 VAL 44 HG21 VAL 44 -4.572 -9.912 -2.134 321 HG22 VAL 44 HG22 VAL 44 -2.913 -10.374 -1.768 322 HG23 VAL 44 HG23 VAL 44 -3.985 -11.510 -2.594 323 H GLU 45 HN GLU 45 -4.440 -7.266 -5.347 324 HA GLU 45 HA GLU 45 -2.772 -7.354 -7.670 325 HB2 GLU 45 HB2 GLU 45 -5.301 -5.766 -7.179 326 HB3 GLU 45 HB1 GLU 45 -4.562 -6.070 -8.745 327 HG2 GLU 45 HG2 GLU 45 -5.771 -8.127 -6.909 328 HG3 GLU 45 HG1 GLU 45 -6.478 -7.509 -8.399 329 H VAL 46 HN VAL 46 -3.402 -5.174 -5.127 330 HA VAL 46 HA VAL 46 -2.438 -2.763 -6.336 331 HB VAL 46 HB VAL 46 -2.918 -3.462 -3.428 332 HG11 VAL 46 HG11 VAL 46 -1.412 -1.565 -3.642 333 HG12 VAL 46 HG12 VAL 46 -2.991 -1.039 -3.051 334 HG13 VAL 46 HG13 VAL 46 -2.545 -0.768 -4.735 335 HG21 VAL 46 HG21 VAL 46 -4.671 -2.035 -5.419 336 HG22 VAL 46 HG22 VAL 46 -5.024 -2.237 -3.698 337 HG23 VAL 46 HG23 VAL 46 -4.939 -3.649 -4.756 338 H VAL 47 HN VAL 47 -1.247 -4.831 -3.695 339 HA VAL 47 HA VAL 47 1.126 -3.506 -3.259 340 HB VAL 47 HB VAL 47 0.262 -5.172 -1.690 341 HG11 VAL 47 HG11 VAL 47 0.630 -7.573 -2.010 342 HG12 VAL 47 HG12 VAL 47 1.172 -7.256 -3.661 343 HG13 VAL 47 HG13 VAL 47 -0.488 -6.898 -3.196 344 HG21 VAL 47 HG21 VAL 47 2.399 -6.206 -1.038 345 HG22 VAL 47 HG22 VAL 47 2.573 -4.505 -1.472 346 HG23 VAL 47 HG23 VAL 47 3.071 -5.758 -2.608 347 H VAL 48 HN VAL 48 0.628 -6.107 -5.630 348 HA VAL 48 HA VAL 48 3.394 -6.278 -6.246 349 HB VAL 48 HB VAL 48 1.779 -8.131 -6.703 350 HG11 VAL 48 HG11 VAL 48 0.846 -6.429 -8.994 351 HG12 VAL 48 HG12 VAL 48 -0.085 -6.894 -7.571 352 HG13 VAL 48 HG13 VAL 48 0.418 -8.121 -8.733 353 HG21 VAL 48 HG21 VAL 48 2.747 -8.858 -8.853 354 HG22 VAL 48 HG22 VAL 48 3.963 -8.192 -7.759 355 HG23 VAL 48 HG23 VAL 48 3.367 -7.224 -9.105 356 H ALA 49 HN ALA 49 0.903 -4.133 -7.239 357 HA ALA 49 HA ALA 49 2.367 -3.134 -9.526 358 HB1 ALA 49 HB1 ALA 49 -0.086 -3.167 -9.590 359 HB2 ALA 49 HB2 ALA 49 0.516 -1.512 -9.703 360 HB3 ALA 49 HB3 ALA 49 -0.145 -2.112 -8.181 361 H ALA 50 HN ALA 50 1.872 -2.456 -6.183 362 HA ALA 50 HA ALA 50 2.903 0.178 -6.203 363 HB1 ALA 50 HB1 ALA 50 2.673 -1.733 -3.878 364 HB2 ALA 50 HB2 ALA 50 1.413 -0.629 -4.429 365 HB3 ALA 50 HB3 ALA 50 2.921 0.011 -3.774 366 H GLU 51 HN GLU 51 4.348 -2.967 -5.982 367 HA GLU 51 HA GLU 51 6.862 -2.454 -4.922 368 HB2 GLU 51 HB2 GLU 51 6.260 -4.216 -7.298 369 HB3 GLU 51 HB1 GLU 51 7.698 -4.291 -6.304 370 HG2 GLU 51 HG2 GLU 51 6.335 -4.991 -4.400 371 HG3 GLU 51 HG1 GLU 51 4.895 -4.916 -5.418 372 H GLU 52 HN GLU 52 5.848 -2.250 -8.291 373 HA GLU 52 HA GLU 52 8.324 -1.079 -9.123 374 HB2 GLU 52 HB2 GLU 52 7.169 -0.875 -11.331 375 HB3 GLU 52 HB1 GLU 52 7.237 -2.507 -10.681 376 HG2 GLU 52 HG2 GLU 52 4.978 -2.468 -10.071 377 HG3 GLU 52 HG1 GLU 52 4.828 -0.739 -10.341 378 H ARG 53 HN ARG 53 5.156 0.061 -8.253 379 HA ARG 53 HA ARG 53 5.189 2.597 -9.450 380 HB2 ARG 53 HB2 ARG 53 3.222 1.395 -8.408 381 HB3 ARG 53 HB1 ARG 53 3.845 1.889 -6.846 382 HG2 ARG 53 HG2 ARG 53 2.100 3.391 -7.470 383 HG3 ARG 53 HG1 ARG 53 3.629 4.265 -7.599 384 HD2 ARG 53 HD2 ARG 53 3.655 3.966 -9.989 385 HD3 ARG 53 HD1 ARG 53 2.236 2.927 -9.911 386 HE ARG 53 HE ARG 53 1.908 5.636 -8.914 387 HH11 ARG 53 HH11 ARG 53 1.383 3.300 -11.553 388 HH12 ARG 53 HH12 ARG 53 0.334 4.300 -12.432 389 HH21 ARG 53 HH21 ARG 53 0.339 7.033 -10.183 390 HH22 ARG 53 HH22 ARG 53 -0.201 6.443 -11.671 391 H PHE 54 HN PHE 54 6.212 1.544 -6.203 392 HA PHE 54 HA PHE 54 7.176 4.257 -5.756 393 HB2 PHE 54 HB2 PHE 54 6.738 2.048 -3.761 394 HB3 PHE 54 HB1 PHE 54 7.242 3.696 -3.377 395 HD1 PHE 54 HD2 PHE 54 5.649 5.526 -4.379 396 HD2 PHE 54 HD1 PHE 54 4.568 1.500 -3.581 397 HE1 PHE 54 HE2 PHE 54 3.302 6.190 -4.240 398 HE2 PHE 54 HE1 PHE 54 2.212 2.160 -3.443 399 HZ PHE 54 HZ PHE 54 1.567 4.445 -3.776 400 H ASP 55 HN ASP 55 8.405 1.600 -7.027 401 HA ASP 55 HA ASP 55 10.500 0.765 -7.413 402 HB2 ASP 55 HB2 ASP 55 10.989 3.207 -7.702 403 HB3 ASP 55 HB1 ASP 55 11.423 3.290 -6.001 404 H VAL 56 HN VAL 56 9.165 -0.196 -5.226 405 HA VAL 56 HA VAL 56 11.329 -0.822 -3.390 406 HB VAL 56 HB VAL 56 10.057 0.838 -2.275 407 HG11 VAL 56 HG11 VAL 56 7.967 0.624 -3.503 408 HG12 VAL 56 HG12 VAL 56 7.671 0.641 -1.761 409 HG13 VAL 56 HG13 VAL 56 7.600 -0.879 -2.658 410 HG21 VAL 56 HG21 VAL 56 10.894 -0.930 -0.868 411 HG22 VAL 56 HG22 VAL 56 9.436 -1.883 -1.145 412 HG23 VAL 56 HG23 VAL 56 9.343 -0.368 -0.241 413 H LYS 57 HN LYS 57 11.682 -2.773 -3.871 414 HA LYS 57 HA LYS 57 9.662 -4.686 -4.587 415 HB2 LYS 57 HB2 LYS 57 11.933 -4.953 -5.458 416 HB3 LYS 57 HB1 LYS 57 12.562 -5.106 -3.823 417 HG2 LYS 57 HG2 LYS 57 11.375 -7.209 -3.536 418 HG3 LYS 57 HG1 LYS 57 10.656 -7.043 -5.136 419 HD2 LYS 57 HD2 LYS 57 12.570 -8.586 -5.143 420 HD3 LYS 57 HD1 LYS 57 12.856 -7.176 -6.163 421 HE2 LYS 57 HE2 LYS 57 14.199 -6.159 -4.388 422 HE3 LYS 57 HE1 LYS 57 13.885 -7.545 -3.348 423 HZ1 LYS 57 HZ1 LYS 57 15.271 -7.709 -5.970 424 HZ2 LYS 57 HZ2 LYS 57 15.085 -8.954 -4.835 425 HZ3 LYS 57 HZ3 LYS 57 16.062 -7.613 -4.482 426 H ILE 58 HN ILE 58 8.211 -4.803 -3.017 427 HA ILE 58 HA ILE 58 8.969 -5.277 -0.264 428 HB ILE 58 HB ILE 58 6.232 -5.066 -1.561 429 HG12 ILE 58 HG12 ILE 58 7.767 -3.046 0.086 430 HG13 ILE 58 HG11 ILE 58 7.572 -2.991 -1.661 431 HG21 ILE 58 HG21 ILE 58 6.124 -6.371 0.484 432 HG22 ILE 58 HG22 ILE 58 5.374 -4.795 0.724 433 HG23 ILE 58 HG23 ILE 58 6.986 -5.110 1.367 434 HD11 ILE 58 HD11 ILE 58 5.362 -2.796 0.371 435 HD12 ILE 58 HD12 ILE 58 5.168 -2.721 -1.381 436 HD13 ILE 58 HD13 ILE 58 6.067 -1.458 -0.537 437 HA PRO 59 HA PRO 59 8.902 -9.691 -1.170 438 HB2 PRO 59 HB2 PRO 59 9.356 -9.817 1.755 439 HB3 PRO 59 HB1 PRO 59 10.315 -10.513 0.442 440 HG2 PRO 59 HG2 PRO 59 11.204 -8.415 1.805 441 HG3 PRO 59 HG1 PRO 59 11.458 -8.535 0.053 442 HD2 PRO 59 HD2 PRO 59 9.423 -6.949 1.568 443 HD3 PRO 59 HD1 PRO 59 10.415 -6.465 0.174 444 H ASP 60 HN ASP 60 7.402 -11.247 -0.838 445 HA ASP 60 HA ASP 60 4.786 -10.605 -0.130 446 HB2 ASP 60 HB2 ASP 60 6.086 -13.341 -0.204 447 HB3 ASP 60 HB1 ASP 60 4.356 -13.083 -0.047 448 H ASP 61 HN ASP 61 7.348 -11.906 1.804 449 HA ASP 61 HA ASP 61 5.891 -12.603 4.116 450 HB2 ASP 61 HB2 ASP 61 8.761 -11.688 3.854 451 HB3 ASP 61 HB1 ASP 61 8.061 -12.267 5.356 452 H ASP 62 HN ASP 62 7.423 -9.571 3.163 453 HA ASP 62 HA ASP 62 6.772 -8.226 5.591 454 HB2 ASP 62 HB2 ASP 62 7.842 -7.240 2.964 455 HB3 ASP 62 HB1 ASP 62 7.339 -6.119 4.221 456 H VAL 63 HN VAL 63 5.208 -8.615 2.546 457 HA VAL 63 HA VAL 63 3.259 -6.592 2.750 458 HB VAL 63 HB VAL 63 2.912 -9.371 1.562 459 HG11 VAL 63 HG11 VAL 63 1.192 -8.336 0.152 460 HG12 VAL 63 HG12 VAL 63 1.407 -6.812 1.010 461 HG13 VAL 63 HG13 VAL 63 0.781 -8.225 1.863 462 HG21 VAL 63 HG21 VAL 63 4.836 -8.235 0.611 463 HG22 VAL 63 HG22 VAL 63 3.844 -6.817 0.264 464 HG23 VAL 63 HG23 VAL 63 3.530 -8.341 -0.566 465 H LYS 64 HN LYS 64 3.397 -9.859 4.000 466 HA LYS 64 HA LYS 64 0.813 -9.784 5.224 467 HB2 LYS 64 HB2 LYS 64 3.110 -11.700 5.633 468 HB3 LYS 64 HB1 LYS 64 1.472 -11.935 6.228 469 HG2 LYS 64 HG2 LYS 64 0.640 -12.004 3.935 470 HG3 LYS 64 HG1 LYS 64 2.276 -11.742 3.331 471 HD2 LYS 64 HD2 LYS 64 2.986 -13.836 4.406 472 HD3 LYS 64 HD1 LYS 64 1.330 -14.099 4.958 473 HE2 LYS 64 HE2 LYS 64 1.770 -15.405 2.960 474 HE3 LYS 64 HE1 LYS 64 0.575 -14.155 2.626 475 HZ1 LYS 64 HZ1 LYS 64 3.463 -13.928 2.004 476 HZ2 LYS 64 HZ2 LYS 64 2.242 -12.857 1.472 477 HZ3 LYS 64 HZ3 LYS 64 2.318 -14.443 0.902 478 H ASN 65 HN ASN 65 3.810 -8.525 6.054 479 HA ASN 65 HA ASN 65 3.319 -8.661 8.912 480 HB2 ASN 65 HB2 ASN 65 5.623 -9.018 8.211 481 HB3 ASN 65 HB1 ASN 65 5.643 -7.473 7.371 482 HD21 ASN 65 HD21 ASN 65 6.136 -5.635 8.527 483 HD22 ASN 65 HD22 ASN 65 6.466 -5.657 10.222 484 H LEU 66 HN LEU 66 2.830 -6.514 6.286 485 HA LEU 66 HA LEU 66 2.766 -4.140 7.893 486 HB2 LEU 66 HB2 LEU 66 1.821 -4.628 5.065 487 HB3 LEU 66 HB1 LEU 66 1.926 -3.062 5.838 488 HG LEU 66 HG LEU 66 4.257 -4.865 5.189 489 HD11 LEU 66 HD11 LEU 66 4.833 -3.148 3.553 490 HD12 LEU 66 HD12 LEU 66 3.349 -2.282 3.959 491 HD13 LEU 66 HD13 LEU 66 3.262 -3.881 3.217 492 HD21 LEU 66 HD21 LEU 66 5.648 -2.958 5.855 493 HD22 LEU 66 HD22 LEU 66 4.677 -3.552 7.203 494 HD23 LEU 66 HD23 LEU 66 4.204 -2.080 6.355 495 H LYS 67 HN LYS 67 0.716 -2.763 7.706 496 HA LYS 67 HA LYS 67 -1.706 -4.284 7.814 497 HB2 LYS 67 HB2 LYS 67 -2.224 -3.406 10.173 498 HB3 LYS 67 HB1 LYS 67 -1.132 -4.770 10.021 499 HG2 LYS 67 HG2 LYS 67 0.762 -3.085 10.164 500 HG3 LYS 67 HG1 LYS 67 -0.458 -1.910 10.654 501 HD2 LYS 67 HD2 LYS 67 -1.093 -3.302 12.538 502 HD3 LYS 67 HD1 LYS 67 0.060 -4.541 12.038 503 HE2 LYS 67 HE2 LYS 67 1.883 -2.889 12.340 504 HE3 LYS 67 HE1 LYS 67 0.694 -1.743 12.961 505 HZ1 LYS 67 HZ1 LYS 67 0.165 -3.396 14.709 506 HZ2 LYS 67 HZ2 LYS 67 1.745 -2.811 14.791 507 HZ3 LYS 67 HZ3 LYS 67 1.447 -4.355 14.147 508 H THR 68 HN THR 68 -0.848 -1.073 9.153 509 HA THR 68 HA THR 68 -3.146 -0.026 7.779 510 HB THR 68 HB THR 68 -2.515 2.091 8.909 511 HG1 THR 68 HG1 THR 68 -0.716 1.347 10.639 512 HG21 THR 68 HG21 THR 68 -2.783 1.273 11.259 513 HG22 THR 68 HG22 THR 68 -2.626 -0.382 10.650 514 HG23 THR 68 HG23 THR 68 -3.976 0.639 10.141 515 H VAL 69 HN VAL 69 -2.763 2.210 6.658 516 HA VAL 69 HA VAL 69 -0.886 1.993 4.616 517 HB VAL 69 HB VAL 69 -2.590 4.271 5.679 518 HG11 VAL 69 HG11 VAL 69 -1.164 4.033 3.061 519 HG12 VAL 69 HG12 VAL 69 -0.740 5.104 4.415 520 HG13 VAL 69 HG13 VAL 69 -2.269 5.338 3.545 521 HG21 VAL 69 HG21 VAL 69 -4.067 3.734 3.810 522 HG22 VAL 69 HG22 VAL 69 -3.883 2.384 4.934 523 HG23 VAL 69 HG23 VAL 69 -3.027 2.369 3.392 524 H GLY 70 HN GLY 70 -1.102 3.599 7.746 525 HA2 GLY 70 HA2 GLY 70 1.213 5.186 7.588 526 HA3 GLY 70 HA1 GLY 70 0.440 4.645 9.071 527 H ASP 71 HN ASP 71 0.758 1.846 8.632 528 HA ASP 71 HA ASP 71 3.488 1.588 9.455 529 HB2 ASP 71 HB2 ASP 71 1.624 0.167 10.351 530 HB3 ASP 71 HB1 ASP 71 1.574 -0.653 8.789 531 H ALA 72 HN ALA 72 1.664 0.934 6.555 532 HA ALA 72 HA ALA 72 3.590 -0.647 5.232 533 HB1 ALA 72 HB1 ALA 72 1.224 -0.628 4.588 534 HB2 ALA 72 HB2 ALA 72 2.270 -0.244 3.221 535 HB3 ALA 72 HB3 ALA 72 1.387 1.043 4.048 536 H THR 73 HN THR 73 2.707 2.766 4.902 537 HA THR 73 HA THR 73 4.424 3.593 2.952 538 HB THR 73 HB THR 73 4.357 5.826 4.214 539 HG1 THR 73 HG1 THR 73 2.353 4.606 5.752 540 HG21 THR 73 HG21 THR 73 2.779 5.191 2.414 541 HG22 THR 73 HG22 THR 73 2.046 6.215 3.645 542 HG23 THR 73 HG23 THR 73 1.719 4.480 3.635 543 H LYS 74 HN LYS 74 4.962 3.678 6.410 544 HA LYS 74 HA LYS 74 7.472 4.739 6.649 545 HB2 LYS 74 HB2 LYS 74 5.770 4.115 8.415 546 HB3 LYS 74 HB1 LYS 74 6.398 2.482 8.322 547 HG2 LYS 74 HG2 LYS 74 7.340 3.623 10.207 548 HG3 LYS 74 HG1 LYS 74 8.605 3.333 9.010 549 HD2 LYS 74 HD2 LYS 74 8.513 5.612 8.267 550 HD3 LYS 74 HD1 LYS 74 7.084 5.925 9.249 551 HE2 LYS 74 HE2 LYS 74 9.826 5.224 10.300 552 HE3 LYS 74 HE1 LYS 74 9.119 6.840 10.274 553 HZ1 LYS 74 HZ1 LYS 74 7.289 5.906 11.661 554 HZ2 LYS 74 HZ2 LYS 74 8.738 6.034 12.430 555 HZ3 LYS 74 HZ3 LYS 74 8.202 4.504 11.901 556 H TYR 75 HN TYR 75 6.610 1.345 6.032 557 HA TYR 75 HA TYR 75 9.340 0.459 6.007 558 HB2 TYR 75 HB2 TYR 75 7.745 -1.225 6.612 559 HB3 TYR 75 HB1 TYR 75 6.757 -0.897 5.192 560 HD1 TYR 75 HD1 TYR 75 10.119 -2.154 6.192 561 HD2 TYR 75 HD2 TYR 75 7.054 -2.181 3.245 562 HE1 TYR 75 HE1 TYR 75 11.259 -3.990 5.028 563 HE2 TYR 75 HE2 TYR 75 8.195 -4.010 2.070 564 HH TYR 75 HH TYR 75 10.363 -5.051 1.888 565 H ILE 76 HN ILE 76 6.893 1.083 3.567 566 HA ILE 76 HA ILE 76 8.174 0.351 1.232 567 HB ILE 76 HB ILE 76 6.260 2.627 1.762 568 HG12 ILE 76 HG12 ILE 76 5.811 -0.095 0.544 569 HG13 ILE 76 HG11 ILE 76 5.499 0.319 2.229 570 HG21 ILE 76 HG21 ILE 76 5.783 2.632 -0.651 571 HG22 ILE 76 HG22 ILE 76 7.121 1.506 -0.908 572 HG23 ILE 76 HG23 ILE 76 7.435 3.132 -0.295 573 HD11 ILE 76 HD11 ILE 76 3.895 1.953 1.534 574 HD12 ILE 76 HD12 ILE 76 3.469 0.346 0.914 575 HD13 ILE 76 HD13 ILE 76 4.194 1.563 -0.157 576 H LEU 77 HN LEU 77 8.163 3.607 2.649 577 HA LEU 77 HA LEU 77 10.012 4.638 0.763 578 HB2 LEU 77 HB2 LEU 77 10.119 6.621 2.199 579 HB3 LEU 77 HB1 LEU 77 8.495 6.142 1.762 580 HG LEU 77 HG LEU 77 8.531 4.981 4.102 581 HD11 LEU 77 HD11 LEU 77 9.780 6.228 5.781 582 HD12 LEU 77 HD12 LEU 77 10.596 7.132 4.505 583 HD13 LEU 77 HD13 LEU 77 10.851 5.392 4.655 584 HD21 LEU 77 HD21 LEU 77 7.075 6.679 3.332 585 HD22 LEU 77 HD22 LEU 77 8.272 7.923 3.690 586 HD23 LEU 77 HD23 LEU 77 7.532 6.990 5.014 587 H ASP 78 HN ASP 78 10.486 2.823 3.522 588 HA ASP 78 HA ASP 78 13.213 3.800 3.858 589 HB2 ASP 78 HB2 ASP 78 11.863 3.245 5.852 590 HB3 ASP 78 HB1 ASP 78 11.824 1.562 5.331 591 H HIS 79 HN HIS 79 11.535 1.116 2.447 592 HA HIS 79 HA HIS 79 14.022 -0.367 2.073 593 HB2 HIS 79 HB2 HIS 79 11.890 -1.500 2.822 594 HB3 HIS 79 HB1 HIS 79 11.234 -1.179 1.226 595 HD1 HIS 79 HD1 HIS 79 13.987 -3.166 2.904 596 HD2 HIS 79 HD2 HIS 79 11.899 -3.073 -0.682 597 HE1 HIS 79 HE1 HIS 79 14.586 -5.284 1.729 598 HE2 HIS 79 HE2 HIS 79 13.289 -5.259 -0.400 599 H GLN 80 HN GLN 80 12.331 1.958 0.404 600 HA GLN 80 HA GLN 80 13.163 1.058 -2.256 601 HB2 GLN 80 HB2 GLN 80 12.125 3.153 -3.052 602 HB3 GLN 80 HB1 GLN 80 10.990 2.204 -2.107 603 HG2 GLN 80 HG2 GLN 80 11.293 3.620 -0.210 604 HG3 GLN 80 HG1 GLN 80 12.604 4.481 -1.007 605 HE21 GLN 80 HE21 GLN 80 9.145 4.026 -0.867 606 HE22 GLN 80 HE22 GLN 80 8.809 5.435 -1.814 607 H ALA 81 HN ALA 81 14.038 3.224 -3.522 608 HA ALA 81 HA ALA 81 16.225 4.268 -1.900 609 HB1 ALA 81 HB1 ALA 81 17.563 4.412 -3.946 610 HB2 ALA 81 HB2 ALA 81 16.237 3.706 -4.870 611 HB3 ALA 81 HB3 ALA 81 17.061 2.750 -3.637 612 H28 SXO 101 H28B SXO 101 -5.276 -11.193 4.727 613 H28A SXO 101 H28A SXO 101 -5.202 -11.366 2.938 614 H30 SXO 101 H30A SXO 101 -2.833 -11.737 3.915 615 H30A SXO 101 H30C SXO 101 -3.363 -12.377 5.469 616 H30B SXO 101 H30B SXO 101 -2.520 -13.423 4.330 617 H31 SXO 101 H31A SXO 101 -5.256 -13.881 5.641 618 H31A SXO 101 H31B SXO 101 -4.461 -15.021 4.544 619 H31B SXO 101 H31C SXO 101 -6.086 -14.432 4.183 620 H32 SXO 101 H32A SXO 101 -3.662 -14.206 2.245 621 HO33 SXO 101 H33A SXO 101 -5.852 -13.277 1.125 622 HN36 SXO 101 H36A SXO 101 -2.208 -12.295 2.169 623 H37 SXO 101 H37A SXO 101 -1.290 -11.229 0.287 624 H37A SXO 101 H37B SXO 101 -2.900 -10.533 -0.034 625 H38 SXO 101 H38B SXO 101 -1.078 -9.078 1.051 626 H38A SXO 101 H38A SXO 101 -1.283 -10.008 2.497 627 HN41 SXO 101 H41A SXO 101 -2.365 -8.742 3.831 628 H42 SXO 101 H42A SXO 101 -3.806 -6.471 3.575 629 H42A SXO 101 H42B SXO 101 -5.034 -7.664 3.330 630 H43 SXO 101 H43B SXO 101 -5.040 -7.164 5.602 631 H43A SXO 101 H43A SXO 101 -4.285 -8.762 5.436 632 H2 SXO 101 H2A SXO 101 -0.794 -5.507 5.216 633 H2A SXO 101 H2B SXO 101 -1.404 -3.936 5.736 634 H3 SXO 101 H3B SXO 101 -1.775 -5.159 3.014 635 H3A SXO 101 H3A SXO 101 -2.369 -3.579 3.528 636 H4 SXO 101 H4A SXO 101 0.526 -4.432 3.353 637 H4A SXO 101 H4B SXO 101 -0.046 -2.866 3.941 638 H5 SXO 101 H5B SXO 101 -0.583 -3.983 1.200 639 H5A SXO 101 H5A SXO 101 -1.056 -2.395 1.802 640 H6 SXO 101 H6A SXO 101 1.770 -3.386 1.452 641 H6A SXO 101 H6B SXO 101 1.298 -1.783 2.022 642 H7 SXO 101 H7A SXO 101 0.203 -1.329 -0.117 643 H7A SXO 101 H7B SXO 101 0.605 -2.960 -0.679 644 H8 SXO 101 H8C SXO 101 2.565 -0.810 0.100 645 H8A SXO 101 H8A SXO 101 2.163 -1.298 -1.546 646 H8B SXO 101 H8B SXO 101 2.973 -2.432 -0.466 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 13.804 11.143 -3.215 2 H2 ALA 1 HT2 ALA 1 12.737 11.829 -2.069 3 H3 ALA 1 HT3 ALA 1 12.270 11.718 -3.689 4 HA ALA 1 HA ALA 1 12.146 9.405 -3.586 5 HB1 ALA 1 HB1 ALA 1 13.897 9.010 -1.912 6 HB2 ALA 1 HB2 ALA 1 12.375 8.258 -1.425 7 HB3 ALA 1 HB3 ALA 1 12.894 9.770 -0.677 8 H ALA 2 HN ALA 2 10.159 8.480 -2.900 9 HA ALA 2 HA ALA 2 8.198 10.513 -2.342 10 HB1 ALA 2 HB1 ALA 2 7.867 7.565 -2.878 11 HB2 ALA 2 HB2 ALA 2 7.805 8.847 -4.090 12 HB3 ALA 2 HB3 ALA 2 6.572 8.759 -2.834 13 H THR 3 HN THR 3 7.523 10.995 -0.392 14 HA THR 3 HA THR 3 8.133 9.164 1.790 15 HB THR 3 HB THR 3 6.961 11.861 2.357 16 HG1 THR 3 HG1 THR 3 8.440 12.234 0.592 17 HG21 THR 3 HG21 THR 3 8.709 11.840 4.087 18 HG22 THR 3 HG22 THR 3 9.364 10.351 3.403 19 HG23 THR 3 HG23 THR 3 7.760 10.350 4.141 20 H GLN 4 HN GLN 4 6.032 10.108 3.614 21 HA GLN 4 HA GLN 4 4.391 7.927 2.954 22 HB2 GLN 4 HB2 GLN 4 3.044 8.376 4.934 23 HB3 GLN 4 HB1 GLN 4 4.756 8.347 5.280 24 HG2 GLN 4 HG2 GLN 4 3.149 10.874 4.956 25 HG3 GLN 4 HG1 GLN 4 3.443 10.080 6.501 26 HE21 GLN 4 HE21 GLN 4 5.537 10.033 7.308 27 HE22 GLN 4 HE22 GLN 4 6.731 11.162 6.786 28 H GLU 5 HN GLU 5 3.744 11.363 2.546 29 HA GLU 5 HA GLU 5 0.995 10.958 1.905 30 HB2 GLU 5 HB2 GLU 5 2.893 13.204 1.198 31 HB3 GLU 5 HB1 GLU 5 1.178 13.227 0.841 32 HG2 GLU 5 HG2 GLU 5 2.385 13.057 3.583 33 HG3 GLU 5 HG1 GLU 5 1.749 14.526 2.839 34 H GLU 6 HN GLU 6 3.930 11.263 0.090 35 HA GLU 6 HA GLU 6 2.863 11.088 -2.511 36 HB2 GLU 6 HB2 GLU 6 5.593 10.301 -1.494 37 HB3 GLU 6 HB1 GLU 6 5.169 10.631 -3.170 38 HG2 GLU 6 HG2 GLU 6 4.768 12.928 -2.690 39 HG3 GLU 6 HG1 GLU 6 4.924 12.645 -0.958 40 H ILE 7 HN ILE 7 4.002 8.687 -0.220 41 HA ILE 7 HA ILE 7 3.826 6.566 -2.026 42 HB ILE 7 HB ILE 7 3.939 6.522 0.995 43 HG12 ILE 7 HG12 ILE 7 5.981 7.315 -0.091 44 HG13 ILE 7 HG11 ILE 7 6.247 5.736 0.629 45 HG21 ILE 7 HG21 ILE 7 4.401 4.121 0.836 46 HG22 ILE 7 HG22 ILE 7 4.075 4.180 -0.896 47 HG23 ILE 7 HG23 ILE 7 2.784 4.518 0.257 48 HD11 ILE 7 HD11 ILE 7 5.814 6.289 -2.313 49 HD12 ILE 7 HD12 ILE 7 6.091 4.705 -1.608 50 HD13 ILE 7 HD13 ILE 7 7.352 5.918 -1.551 51 H VAL 8 HN VAL 8 1.670 7.629 0.670 52 HA VAL 8 HA VAL 8 -0.273 5.659 0.264 53 HB VAL 8 HB VAL 8 -0.552 8.381 1.594 54 HG11 VAL 8 HG11 VAL 8 -2.605 7.520 2.604 55 HG12 VAL 8 HG12 VAL 8 -2.457 6.044 1.651 56 HG13 VAL 8 HG13 VAL 8 -2.750 7.586 0.848 57 HG21 VAL 8 HG21 VAL 8 0.987 6.853 2.691 58 HG22 VAL 8 HG22 VAL 8 -0.265 5.605 2.708 59 HG23 VAL 8 HG23 VAL 8 -0.480 7.079 3.647 60 H ALA 9 HN ALA 9 0.044 8.853 -1.210 61 HA ALA 9 HA ALA 9 -2.428 8.891 -2.544 62 HB1 ALA 9 HB1 ALA 9 0.196 10.082 -3.440 63 HB2 ALA 9 HB2 ALA 9 -0.975 10.858 -2.369 64 HB3 ALA 9 HB3 ALA 9 -1.400 10.521 -4.049 65 H GLY 10 HN GLY 10 0.618 7.371 -3.319 66 HA2 GLY 10 HA2 GLY 10 -0.200 6.493 -5.933 67 HA3 GLY 10 HA1 GLY 10 1.233 5.956 -5.059 68 H LEU 11 HN LEU 11 -0.083 5.131 -2.696 69 HA LEU 11 HA LEU 11 -0.809 2.481 -3.261 70 HB2 LEU 11 HB2 LEU 11 -1.525 4.179 -0.863 71 HB3 LEU 11 HB1 LEU 11 -1.782 2.451 -0.958 72 HG LEU 11 HG LEU 11 0.913 3.802 -1.051 73 HD11 LEU 11 HD11 LEU 11 1.193 2.876 1.204 74 HD12 LEU 11 HD12 LEU 11 -0.476 2.303 1.171 75 HD13 LEU 11 HD13 LEU 11 -0.137 4.031 1.135 76 HD21 LEU 11 HD21 LEU 11 0.820 1.682 -2.264 77 HD22 LEU 11 HD22 LEU 11 0.135 0.898 -0.843 78 HD23 LEU 11 HD23 LEU 11 1.779 1.538 -0.792 79 H ALA 12 HN ALA 12 -2.822 5.261 -2.446 80 HA ALA 12 HA ALA 12 -5.260 3.895 -2.760 81 HB1 ALA 12 HB1 ALA 12 -5.011 5.889 -1.384 82 HB2 ALA 12 HB2 ALA 12 -6.304 6.024 -2.576 83 HB3 ALA 12 HB3 ALA 12 -4.767 6.855 -2.846 84 H GLU 13 HN GLU 13 -3.096 5.245 -5.119 85 HA GLU 13 HA GLU 13 -4.942 5.804 -7.135 86 HB2 GLU 13 HB2 GLU 13 -2.770 6.756 -7.223 87 HB3 GLU 13 HB1 GLU 13 -1.999 5.210 -6.934 88 HG2 GLU 13 HG2 GLU 13 -1.624 5.777 -9.173 89 HG3 GLU 13 HG1 GLU 13 -2.818 4.468 -9.001 90 H ILE 14 HN ILE 14 -2.893 2.964 -6.449 91 HA ILE 14 HA ILE 14 -4.255 1.508 -8.474 92 HB ILE 14 HB ILE 14 -2.440 0.368 -6.292 93 HG12 ILE 14 HG12 ILE 14 -0.889 -0.022 -8.327 94 HG13 ILE 14 HG11 ILE 14 -1.907 1.128 -9.171 95 HG21 ILE 14 HG21 ILE 14 -3.991 -1.284 -7.095 96 HG22 ILE 14 HG22 ILE 14 -2.361 -1.656 -7.688 97 HG23 ILE 14 HG23 ILE 14 -3.558 -0.913 -8.761 98 HD11 ILE 14 HD11 ILE 14 -0.263 1.660 -6.713 99 HD12 ILE 14 HD12 ILE 14 -1.306 2.835 -7.517 100 HD13 ILE 14 HD13 ILE 14 0.101 2.180 -8.357 101 H VAL 15 HN VAL 15 -4.642 1.841 -4.996 102 HA VAL 15 HA VAL 15 -6.570 -0.208 -4.820 103 HB VAL 15 HB VAL 15 -6.199 2.113 -2.864 104 HG11 VAL 15 HG11 VAL 15 -7.666 -0.502 -2.505 105 HG12 VAL 15 HG12 VAL 15 -8.413 1.087 -2.650 106 HG13 VAL 15 HG13 VAL 15 -7.401 0.712 -1.255 107 HG21 VAL 15 HG21 VAL 15 -4.214 0.698 -3.023 108 HG22 VAL 15 HG22 VAL 15 -5.214 -0.732 -2.751 109 HG23 VAL 15 HG23 VAL 15 -5.040 0.471 -1.478 110 H ASN 16 HN ASN 16 -6.842 3.042 -5.927 111 HA ASN 16 HA ASN 16 -9.679 3.207 -5.765 112 HB2 ASN 16 HB2 ASN 16 -8.342 5.237 -6.035 113 HB3 ASN 16 HB1 ASN 16 -7.713 4.650 -7.569 114 HD21 ASN 16 HD21 ASN 16 -10.493 5.920 -5.918 115 HD22 ASN 16 HD22 ASN 16 -11.389 6.364 -7.325 116 H GLU 17 HN GLU 17 -7.454 1.820 -7.980 117 HA GLU 17 HA GLU 17 -9.402 1.343 -10.036 118 HB2 GLU 17 HB2 GLU 17 -7.001 1.670 -10.536 119 HB3 GLU 17 HB1 GLU 17 -6.626 0.205 -9.644 120 HG2 GLU 17 HG2 GLU 17 -6.609 -0.153 -12.053 121 HG3 GLU 17 HG1 GLU 17 -7.850 -1.120 -11.253 122 H ILE 18 HN ILE 18 -7.859 -0.456 -7.475 123 HA ILE 18 HA ILE 18 -9.086 -2.971 -8.146 124 HB ILE 18 HB ILE 18 -7.581 -2.067 -5.679 125 HG12 ILE 18 HG12 ILE 18 -6.287 -2.014 -7.719 126 HG13 ILE 18 HG11 ILE 18 -5.699 -3.288 -6.653 127 HG21 ILE 18 HG21 ILE 18 -7.299 -4.441 -5.139 128 HG22 ILE 18 HG22 ILE 18 -8.368 -4.868 -6.474 129 HG23 ILE 18 HG23 ILE 18 -8.997 -3.957 -5.097 130 HD11 ILE 18 HD11 ILE 18 -6.907 -4.937 -7.989 131 HD12 ILE 18 HD12 ILE 18 -5.735 -4.037 -8.971 132 HD13 ILE 18 HD13 ILE 18 -7.462 -3.653 -9.059 133 H ALA 19 HN ALA 19 -9.521 -0.684 -5.452 134 HA ALA 19 HA ALA 19 -11.952 -2.118 -4.716 135 HB1 ALA 19 HB1 ALA 19 -10.371 -0.072 -3.173 136 HB2 ALA 19 HB2 ALA 19 -10.235 -1.820 -3.019 137 HB3 ALA 19 HB3 ALA 19 -11.744 -1.012 -2.558 138 H GLY 20 HN GLY 20 -10.755 1.183 -5.232 139 HA2 GLY 20 HA2 GLY 20 -12.138 2.578 -6.722 140 HA3 GLY 20 HA1 GLY 20 -13.546 1.883 -5.943 141 H ILE 21 HN ILE 21 -11.307 2.478 -3.591 142 HA ILE 21 HA ILE 21 -12.787 4.626 -2.538 143 HB ILE 21 HB ILE 21 -10.801 4.904 -0.929 144 HG12 ILE 21 HG12 ILE 21 -9.421 2.788 -0.676 145 HG13 ILE 21 HG11 ILE 21 -9.987 2.315 -2.267 146 HG21 ILE 21 HG21 ILE 21 -12.832 3.924 -0.277 147 HG22 ILE 21 HG22 ILE 21 -11.494 3.007 0.412 148 HG23 ILE 21 HG23 ILE 21 -12.384 2.366 -0.980 149 HD11 ILE 21 HD11 ILE 21 -8.881 4.266 -3.234 150 HD12 ILE 21 HD12 ILE 21 -7.746 3.246 -2.353 151 HD13 ILE 21 HD13 ILE 21 -8.327 4.750 -1.631 152 HA PRO 22 HA PRO 22 -10.996 8.158 -4.414 153 HB2 PRO 22 HB2 PRO 22 -11.472 9.652 -1.932 154 HB3 PRO 22 HB1 PRO 22 -12.242 9.847 -3.508 155 HG2 PRO 22 HG2 PRO 22 -13.557 8.851 -1.372 156 HG3 PRO 22 HG1 PRO 22 -13.906 8.338 -3.034 157 HD2 PRO 22 HD2 PRO 22 -12.301 6.970 -0.922 158 HD3 PRO 22 HD1 PRO 22 -13.451 6.284 -2.090 159 H VAL 23 HN VAL 23 -8.961 8.914 -4.512 160 HA VAL 23 HA VAL 23 -6.985 7.905 -2.764 161 HB VAL 23 HB VAL 23 -5.371 9.287 -4.025 162 HG11 VAL 23 HG11 VAL 23 -7.417 7.968 -5.799 163 HG12 VAL 23 HG12 VAL 23 -6.073 7.168 -4.987 164 HG13 VAL 23 HG13 VAL 23 -5.759 8.353 -6.257 165 HG21 VAL 23 HG21 VAL 23 -6.710 11.295 -4.279 166 HG22 VAL 23 HG22 VAL 23 -7.821 10.443 -5.334 167 HG23 VAL 23 HG23 VAL 23 -6.155 10.740 -5.866 168 H GLU 24 HN GLU 24 -8.779 10.814 -2.868 169 HA GLU 24 HA GLU 24 -7.177 12.412 -1.120 170 HB2 GLU 24 HB2 GLU 24 -9.139 13.883 -1.124 171 HB3 GLU 24 HB1 GLU 24 -8.719 13.364 -2.753 172 HG2 GLU 24 HG2 GLU 24 -10.460 11.561 -2.500 173 HG3 GLU 24 HG1 GLU 24 -10.972 12.380 -1.030 174 H ASP 25 HN ASP 25 -9.266 9.770 -0.607 175 HA ASP 25 HA ASP 25 -10.171 10.704 1.986 176 HB2 ASP 25 HB2 ASP 25 -11.719 9.632 0.367 177 HB3 ASP 25 HB1 ASP 25 -10.791 8.161 0.499 178 H VAL 26 HN VAL 26 -7.717 8.844 0.611 179 HA VAL 26 HA VAL 26 -7.377 7.192 2.988 180 HB VAL 26 HB VAL 26 -5.850 7.126 0.372 181 HG11 VAL 26 HG11 VAL 26 -4.617 6.141 2.234 182 HG12 VAL 26 HG12 VAL 26 -5.149 4.894 1.106 183 HG13 VAL 26 HG13 VAL 26 -6.005 5.128 2.631 184 HG21 VAL 26 HG21 VAL 26 -8.203 6.628 0.011 185 HG22 VAL 26 HG22 VAL 26 -8.159 5.425 1.300 186 HG23 VAL 26 HG23 VAL 26 -7.222 5.174 -0.172 187 H LYS 27 HN LYS 27 -6.637 8.645 4.496 188 HA LYS 27 HA LYS 27 -4.072 9.931 4.027 189 HB2 LYS 27 HB2 LYS 27 -5.907 9.888 6.456 190 HB3 LYS 27 HB1 LYS 27 -4.371 10.718 6.405 191 HG2 LYS 27 HG2 LYS 27 -6.031 12.369 6.147 192 HG3 LYS 27 HG1 LYS 27 -5.322 12.116 4.551 193 HD2 LYS 27 HD2 LYS 27 -7.229 10.845 3.849 194 HD3 LYS 27 HD1 LYS 27 -7.911 10.878 5.479 195 HE2 LYS 27 HE2 LYS 27 -8.148 13.284 5.365 196 HE3 LYS 27 HE1 LYS 27 -7.388 13.309 3.775 197 HZ1 LYS 27 HZ1 LYS 27 -9.248 12.104 2.882 198 HZ2 LYS 27 HZ2 LYS 27 -9.784 13.481 3.648 199 HZ3 LYS 27 HZ3 LYS 27 -9.986 11.977 4.405 200 H LEU 28 HN LEU 28 -2.879 9.549 6.550 201 HA LEU 28 HA LEU 28 -1.879 6.880 6.217 202 HB2 LEU 28 HB2 LEU 28 -1.216 9.105 8.112 203 HB3 LEU 28 HB1 LEU 28 -0.618 7.495 8.424 204 HG LEU 28 HG LEU 28 1.082 8.859 7.397 205 HD11 LEU 28 HD11 LEU 28 1.681 7.445 5.502 206 HD12 LEU 28 HD12 LEU 28 0.069 6.729 5.555 207 HD13 LEU 28 HD13 LEU 28 1.168 6.545 6.925 208 HD21 LEU 28 HD21 LEU 28 -0.785 9.142 5.050 209 HD22 LEU 28 HD22 LEU 28 0.896 9.672 5.098 210 HD23 LEU 28 HD23 LEU 28 -0.298 10.430 6.152 211 H ASP 29 HN ASP 29 -4.491 8.069 7.875 212 HA ASP 29 HA ASP 29 -4.362 6.167 10.090 213 HB2 ASP 29 HB2 ASP 29 -6.469 8.234 9.413 214 HB3 ASP 29 HB1 ASP 29 -6.475 7.223 10.853 215 H LYS 30 HN LYS 30 -4.774 5.533 7.200 216 HA LYS 30 HA LYS 30 -7.320 4.093 7.358 217 HB2 LYS 30 HB2 LYS 30 -5.576 4.830 5.008 218 HB3 LYS 30 HB1 LYS 30 -6.949 3.746 4.887 219 HG2 LYS 30 HG2 LYS 30 -7.139 6.591 5.846 220 HG3 LYS 30 HG1 LYS 30 -7.389 6.091 4.171 221 HD2 LYS 30 HD2 LYS 30 -9.194 4.597 4.910 222 HD3 LYS 30 HD1 LYS 30 -8.958 5.149 6.567 223 HE2 LYS 30 HE2 LYS 30 -9.605 7.383 5.960 224 HE3 LYS 30 HE1 LYS 30 -9.668 6.926 4.256 225 HZ1 LYS 30 HZ1 LYS 30 -11.471 5.862 6.399 226 HZ2 LYS 30 HZ2 LYS 30 -11.507 5.411 4.790 227 HZ3 LYS 30 HZ3 LYS 30 -11.918 6.975 5.216 228 H SER 31 HN SER 31 -7.276 1.949 6.335 229 HA SER 31 HA SER 31 -4.756 0.549 6.386 230 HB2 SER 31 HB2 SER 31 -5.624 0.106 8.584 231 HB3 SER 31 HB1 SER 31 -7.243 -0.242 7.956 232 HG SER 31 HG SER 31 -5.334 -1.977 8.399 233 H PHE 32 HN PHE 32 -5.209 -1.697 5.275 234 HA PHE 32 HA PHE 32 -6.493 -0.866 2.844 235 HB2 PHE 32 HB2 PHE 32 -4.918 -3.347 3.546 236 HB3 PHE 32 HB1 PHE 32 -5.575 -2.994 1.948 237 HD1 PHE 32 HD2 PHE 32 -4.613 -1.235 0.571 238 HD2 PHE 32 HD1 PHE 32 -3.015 -2.159 4.403 239 HE1 PHE 32 HE2 PHE 32 -2.578 0.020 0.018 240 HE2 PHE 32 HE1 PHE 32 -0.971 -0.903 3.857 241 HZ PHE 32 HZ PHE 32 -0.780 0.230 1.662 242 H THR 33 HN THR 33 -6.841 -3.518 5.193 243 HA THR 33 HA THR 33 -9.475 -3.678 4.019 244 HB THR 33 HB THR 33 -9.542 -5.981 4.652 245 HG1 THR 33 HG1 THR 33 -7.737 -7.025 5.364 246 HG21 THR 33 HG21 THR 33 -8.966 -5.345 2.383 247 HG22 THR 33 HG22 THR 33 -8.043 -6.776 2.837 248 HG23 THR 33 HG23 THR 33 -7.269 -5.191 2.835 249 H ASP 34 HN ASP 34 -7.953 -2.725 6.753 250 HA ASP 34 HA ASP 34 -10.136 -3.566 8.464 251 HB2 ASP 34 HB2 ASP 34 -7.645 -1.980 9.073 252 HB3 ASP 34 HB1 ASP 34 -8.931 -2.216 10.248 253 H ASP 35 HN ASP 35 -9.150 -0.906 6.622 254 HA ASP 35 HA ASP 35 -11.435 0.572 7.733 255 HB2 ASP 35 HB2 ASP 35 -9.119 1.688 8.053 256 HB3 ASP 35 HB1 ASP 35 -9.136 1.898 6.312 257 H LEU 36 HN LEU 36 -9.480 0.077 4.765 258 HA LEU 36 HA LEU 36 -11.529 1.235 3.156 259 HB2 LEU 36 HB2 LEU 36 -9.093 -0.338 2.311 260 HB3 LEU 36 HB1 LEU 36 -10.128 0.591 1.249 261 HG LEU 36 HG LEU 36 -8.358 1.703 3.423 262 HD11 LEU 36 HD11 LEU 36 -7.091 2.677 1.577 263 HD12 LEU 36 HD12 LEU 36 -8.132 1.832 0.429 264 HD13 LEU 36 HD13 LEU 36 -7.097 0.914 1.521 265 HD21 LEU 36 HD21 LEU 36 -8.981 3.901 2.539 266 HD22 LEU 36 HD22 LEU 36 -10.378 3.031 3.173 267 HD23 LEU 36 HD23 LEU 36 -10.116 3.128 1.432 268 H ASP 37 HN ASP 37 -12.229 -0.057 1.148 269 HA ASP 37 HA ASP 37 -13.714 -2.305 2.288 270 HB2 ASP 37 HB2 ASP 37 -15.335 -1.980 0.584 271 HB3 ASP 37 HB1 ASP 37 -14.877 -0.367 1.107 272 H VAL 38 HN VAL 38 -10.913 -2.169 1.060 273 HA VAL 38 HA VAL 38 -10.718 -3.538 -1.343 274 HB VAL 38 HB VAL 38 -8.801 -3.754 0.992 275 HG11 VAL 38 HG11 VAL 38 -8.388 -5.421 -0.731 276 HG12 VAL 38 HG12 VAL 38 -7.115 -4.201 -0.728 277 HG13 VAL 38 HG13 VAL 38 -8.373 -4.162 -1.966 278 HG21 VAL 38 HG21 VAL 38 -8.886 -1.774 -1.275 279 HG22 VAL 38 HG22 VAL 38 -7.605 -1.900 -0.068 280 HG23 VAL 38 HG23 VAL 38 -9.236 -1.435 0.418 281 H ASP 39 HN ASP 39 -10.929 -5.534 -1.960 282 HA ASP 39 HA ASP 39 -12.326 -7.477 -0.410 283 HB2 ASP 39 HB2 ASP 39 -12.730 -7.071 -2.783 284 HB3 ASP 39 HB1 ASP 39 -11.090 -7.534 -3.174 285 H SER 40 HN SER 40 -9.403 -6.792 0.259 286 HA SER 40 HA SER 40 -7.571 -7.688 1.074 287 HB2 SER 40 HB2 SER 40 -9.534 -9.831 1.581 288 HB3 SER 40 HB1 SER 40 -7.818 -10.168 1.852 289 H LEU 41 HN LEU 41 -8.684 -10.533 -0.727 290 HA LEU 41 HA LEU 41 -6.052 -11.273 -1.305 291 HB2 LEU 41 HB2 LEU 41 -8.619 -12.068 -2.684 292 HB3 LEU 41 HB1 LEU 41 -7.071 -12.724 -3.158 293 HG LEU 41 HG LEU 41 -6.848 -13.615 -0.804 294 HD11 LEU 41 HD11 LEU 41 -9.759 -12.875 -0.656 295 HD12 LEU 41 HD12 LEU 41 -8.449 -12.265 0.369 296 HD13 LEU 41 HD13 LEU 41 -8.924 -13.956 0.455 297 HD21 LEU 41 HD21 LEU 41 -7.405 -15.025 -2.681 298 HD22 LEU 41 HD22 LEU 41 -9.112 -14.613 -2.512 299 HD23 LEU 41 HD23 LEU 41 -8.296 -15.530 -1.245 300 H SER 42 HN SER 42 -8.261 -9.171 -2.749 301 HA SER 42 HA SER 42 -7.132 -8.853 -5.318 302 HB2 SER 42 HB2 SER 42 -9.005 -7.204 -3.677 303 HB3 SER 42 HB1 SER 42 -8.764 -6.994 -5.432 304 HG SER 42 HG SER 42 -10.282 -8.922 -4.077 305 H MET 43 HN MET 43 -6.298 -7.555 -2.195 306 HA MET 43 HA MET 43 -5.092 -5.083 -3.131 307 HB2 MET 43 HB2 MET 43 -6.020 -5.626 -0.760 308 HB3 MET 43 HB1 MET 43 -4.512 -6.479 -0.521 309 HG2 MET 43 HG2 MET 43 -4.722 -3.536 -1.170 310 HG3 MET 43 HG1 MET 43 -4.619 -4.183 0.455 311 HE1 MET 43 HE1 MET 43 -2.418 -6.588 -0.178 312 HE2 MET 43 HE2 MET 43 -2.555 -5.610 1.272 313 HE3 MET 43 HE3 MET 43 -1.002 -5.730 0.439 314 H VAL 44 HN VAL 44 -4.245 -8.323 -2.915 315 HA VAL 44 HA VAL 44 -1.447 -8.095 -2.814 316 HB VAL 44 HB VAL 44 -3.061 -10.276 -4.188 317 HG11 VAL 44 HG11 VAL 44 -0.284 -10.348 -3.023 318 HG12 VAL 44 HG12 VAL 44 -0.690 -10.381 -4.739 319 HG13 VAL 44 HG13 VAL 44 -1.157 -11.725 -3.696 320 HG21 VAL 44 HG21 VAL 44 -2.212 -10.032 -1.295 321 HG22 VAL 44 HG22 VAL 44 -2.931 -11.464 -2.015 322 HG23 VAL 44 HG23 VAL 44 -3.842 -9.960 -1.930 323 H GLU 45 HN GLU 45 -3.750 -7.623 -5.396 324 HA GLU 45 HA GLU 45 -1.758 -7.462 -7.444 325 HB2 GLU 45 HB2 GLU 45 -4.686 -6.747 -7.455 326 HB3 GLU 45 HB1 GLU 45 -3.639 -6.576 -8.861 327 HG2 GLU 45 HG2 GLU 45 -3.116 -8.966 -8.699 328 HG3 GLU 45 HG1 GLU 45 -4.305 -9.116 -7.405 329 H VAL 46 HN VAL 46 -2.958 -5.393 -5.089 330 HA VAL 46 HA VAL 46 -2.307 -2.898 -6.375 331 HB VAL 46 HB VAL 46 -2.695 -3.535 -3.428 332 HG11 VAL 46 HG11 VAL 46 -2.653 -0.872 -4.845 333 HG12 VAL 46 HG12 VAL 46 -1.418 -1.493 -3.751 334 HG13 VAL 46 HG13 VAL 46 -3.032 -1.122 -3.142 335 HG21 VAL 46 HG21 VAL 46 -4.713 -3.987 -4.721 336 HG22 VAL 46 HG22 VAL 46 -4.645 -2.363 -5.407 337 HG23 VAL 46 HG23 VAL 46 -4.931 -2.580 -3.680 338 H VAL 47 HN VAL 47 -0.993 -4.771 -3.680 339 HA VAL 47 HA VAL 47 1.305 -3.231 -3.390 340 HB VAL 47 HB VAL 47 0.535 -4.695 -1.602 341 HG11 VAL 47 HG11 VAL 47 0.987 -7.096 -1.597 342 HG12 VAL 47 HG12 VAL 47 1.512 -6.990 -3.277 343 HG13 VAL 47 HG13 VAL 47 -0.159 -6.629 -2.850 344 HG21 VAL 47 HG21 VAL 47 2.824 -3.909 -1.527 345 HG22 VAL 47 HG22 VAL 47 3.360 -5.298 -2.465 346 HG23 VAL 47 HG23 VAL 47 2.723 -5.531 -0.833 347 H VAL 48 HN VAL 48 0.875 -5.999 -5.561 348 HA VAL 48 HA VAL 48 3.620 -6.174 -6.227 349 HB VAL 48 HB VAL 48 2.004 -7.995 -6.795 350 HG11 VAL 48 HG11 VAL 48 1.020 -6.148 -8.948 351 HG12 VAL 48 HG12 VAL 48 0.118 -6.702 -7.540 352 HG13 VAL 48 HG13 VAL 48 0.597 -7.854 -8.786 353 HG21 VAL 48 HG21 VAL 48 4.156 -7.977 -7.918 354 HG22 VAL 48 HG22 VAL 48 3.513 -6.926 -9.179 355 HG23 VAL 48 HG23 VAL 48 2.905 -8.573 -9.009 356 H ALA 49 HN ALA 49 1.079 -4.078 -7.295 357 HA ALA 49 HA ALA 49 2.619 -2.955 -9.459 358 HB1 ALA 49 HB1 ALA 49 0.020 -2.030 -8.205 359 HB2 ALA 49 HB2 ALA 49 0.164 -3.075 -9.615 360 HB3 ALA 49 HB3 ALA 49 0.725 -1.403 -9.695 361 H ALA 50 HN ALA 50 2.077 -2.463 -6.119 362 HA ALA 50 HA ALA 50 2.896 0.226 -5.946 363 HB1 ALA 50 HB1 ALA 50 1.562 -0.855 -4.192 364 HB2 ALA 50 HB2 ALA 50 3.034 -0.128 -3.546 365 HB3 ALA 50 HB3 ALA 50 2.943 -1.876 -3.784 366 H GLU 51 HN GLU 51 4.652 -2.826 -5.720 367 HA GLU 51 HA GLU 51 7.111 -1.938 -4.818 368 HB2 GLU 51 HB2 GLU 51 6.690 -3.924 -7.035 369 HB3 GLU 51 HB1 GLU 51 8.141 -3.706 -6.077 370 HG2 GLU 51 HG2 GLU 51 6.861 -4.389 -4.088 371 HG3 GLU 51 HG1 GLU 51 5.498 -4.754 -5.156 372 H GLU 52 HN GLU 52 6.037 -2.169 -8.158 373 HA GLU 52 HA GLU 52 8.342 -0.876 -9.203 374 HB2 GLU 52 HB2 GLU 52 6.942 -0.811 -11.322 375 HB3 GLU 52 HB1 GLU 52 7.302 -2.397 -10.649 376 HG2 GLU 52 HG2 GLU 52 5.136 -2.610 -9.761 377 HG3 GLU 52 HG1 GLU 52 4.717 -0.938 -10.103 378 H ARG 53 HN ARG 53 5.198 0.187 -8.196 379 HA ARG 53 HA ARG 53 5.086 2.674 -9.533 380 HB2 ARG 53 HB2 ARG 53 3.281 1.304 -8.228 381 HB3 ARG 53 HB1 ARG 53 3.846 2.235 -6.852 382 HG2 ARG 53 HG2 ARG 53 1.924 3.300 -7.778 383 HG3 ARG 53 HG1 ARG 53 3.339 4.305 -8.126 384 HD2 ARG 53 HD2 ARG 53 3.444 3.531 -10.365 385 HD3 ARG 53 HD1 ARG 53 2.259 2.264 -10.051 386 HE ARG 53 HE ARG 53 1.534 5.107 -9.888 387 HH11 ARG 53 HH11 ARG 53 1.059 1.874 -11.306 388 HH12 ARG 53 HH12 ARG 53 -0.397 2.273 -12.068 389 HH21 ARG 53 HH21 ARG 53 -0.386 5.654 -10.942 390 HH22 ARG 53 HH22 ARG 53 -1.244 4.527 -11.923 391 H PHE 54 HN PHE 54 6.291 1.695 -6.358 392 HA PHE 54 HA PHE 54 7.149 4.452 -5.905 393 HB2 PHE 54 HB2 PHE 54 6.988 2.177 -3.926 394 HB3 PHE 54 HB1 PHE 54 7.342 3.863 -3.555 395 HD1 PHE 54 HD2 PHE 54 5.527 5.497 -4.725 396 HD2 PHE 54 HD1 PHE 54 4.876 1.512 -3.421 397 HE1 PHE 54 HE2 PHE 54 3.143 5.951 -4.566 398 HE2 PHE 54 HE1 PHE 54 2.470 1.951 -3.272 399 HZ PHE 54 HZ PHE 54 1.600 4.167 -3.842 400 H ASP 55 HN ASP 55 8.293 1.759 -7.197 401 HA ASP 55 HA ASP 55 10.286 0.897 -7.785 402 HB2 ASP 55 HB2 ASP 55 10.647 3.292 -8.387 403 HB3 ASP 55 HB1 ASP 55 11.384 3.533 -6.803 404 H VAL 56 HN VAL 56 9.310 0.284 -5.277 405 HA VAL 56 HA VAL 56 11.735 -0.472 -3.883 406 HB VAL 56 HB VAL 56 11.045 1.488 -2.681 407 HG11 VAL 56 HG11 VAL 56 8.848 1.693 -1.546 408 HG12 VAL 56 HG12 VAL 56 8.318 0.231 -2.383 409 HG13 VAL 56 HG13 VAL 56 8.733 1.670 -3.306 410 HG21 VAL 56 HG21 VAL 56 11.907 -0.298 -1.300 411 HG22 VAL 56 HG22 VAL 56 10.276 -0.958 -1.108 412 HG23 VAL 56 HG23 VAL 56 10.679 0.619 -0.424 413 H LYS 57 HN LYS 57 11.703 -2.524 -3.935 414 HA LYS 57 HA LYS 57 9.278 -3.984 -4.369 415 HB2 LYS 57 HB2 LYS 57 12.120 -4.937 -4.149 416 HB3 LYS 57 HB1 LYS 57 10.754 -6.030 -4.341 417 HG2 LYS 57 HG2 LYS 57 10.150 -4.776 -6.418 418 HG3 LYS 57 HG1 LYS 57 11.671 -3.900 -6.254 419 HD2 LYS 57 HD2 LYS 57 11.890 -5.767 -7.817 420 HD3 LYS 57 HD1 LYS 57 12.901 -6.010 -6.393 421 HE2 LYS 57 HE2 LYS 57 11.731 -8.075 -7.092 422 HE3 LYS 57 HE1 LYS 57 11.293 -7.567 -5.465 423 HZ1 LYS 57 HZ1 LYS 57 9.405 -8.317 -6.842 424 HZ2 LYS 57 HZ2 LYS 57 9.610 -7.002 -7.877 425 HZ3 LYS 57 HZ3 LYS 57 9.196 -6.767 -6.254 426 H ILE 58 HN ILE 58 8.371 -5.546 -3.205 427 HA ILE 58 HA ILE 58 8.923 -5.524 -0.321 428 HB ILE 58 HB ILE 58 6.133 -5.328 -1.519 429 HG12 ILE 58 HG12 ILE 58 7.711 -3.073 -0.246 430 HG13 ILE 58 HG11 ILE 58 7.492 -3.257 -1.980 431 HG21 ILE 58 HG21 ILE 58 6.269 -6.339 0.701 432 HG22 ILE 58 HG22 ILE 58 5.487 -4.761 0.785 433 HG23 ILE 58 HG23 ILE 58 7.167 -4.939 1.297 434 HD11 ILE 58 HD11 ILE 58 5.088 -2.999 -1.690 435 HD12 ILE 58 HD12 ILE 58 5.978 -1.610 -1.069 436 HD13 ILE 58 HD13 ILE 58 5.318 -2.807 0.049 437 HA PRO 59 HA PRO 59 8.708 -9.924 -1.722 438 HB2 PRO 59 HB2 PRO 59 9.515 -10.187 1.138 439 HB3 PRO 59 HB1 PRO 59 10.186 -10.979 -0.293 440 HG2 PRO 59 HG2 PRO 59 11.507 -9.005 0.856 441 HG3 PRO 59 HG1 PRO 59 11.413 -9.103 -0.914 442 HD2 PRO 59 HD2 PRO 59 9.894 -7.332 0.963 443 HD3 PRO 59 HD1 PRO 59 10.609 -6.950 -0.618 444 H ASP 60 HN ASP 60 7.111 -11.298 -1.504 445 HA ASP 60 HA ASP 60 4.610 -10.617 -0.590 446 HB2 ASP 60 HB2 ASP 60 5.749 -13.364 -1.114 447 HB3 ASP 60 HB1 ASP 60 4.046 -13.068 -0.804 448 H ASP 61 HN ASP 61 6.987 -12.587 1.074 449 HA ASP 61 HA ASP 61 5.466 -13.341 3.299 450 HB2 ASP 61 HB2 ASP 61 7.561 -14.411 2.971 451 HB3 ASP 61 HB1 ASP 61 8.427 -12.880 2.987 452 H ASP 62 HN ASP 62 7.347 -10.419 2.735 453 HA ASP 62 HA ASP 62 6.827 -9.587 5.460 454 HB2 ASP 62 HB2 ASP 62 9.087 -9.242 4.229 455 HB3 ASP 62 HB1 ASP 62 8.289 -7.851 3.492 456 H VAL 63 HN VAL 63 5.556 -9.072 2.346 457 HA VAL 63 HA VAL 63 4.208 -6.645 2.517 458 HB VAL 63 HB VAL 63 3.133 -9.264 1.386 459 HG11 VAL 63 HG11 VAL 63 2.187 -6.441 0.880 460 HG12 VAL 63 HG12 VAL 63 1.316 -7.685 1.777 461 HG13 VAL 63 HG13 VAL 63 1.607 -7.884 0.049 462 HG21 VAL 63 HG21 VAL 63 4.504 -6.961 0.013 463 HG22 VAL 63 HG22 VAL 63 3.821 -8.379 -0.786 464 HG23 VAL 63 HG23 VAL 63 5.194 -8.557 0.308 465 H LYS 64 HN LYS 64 3.133 -9.828 3.552 466 HA LYS 64 HA LYS 64 0.675 -8.849 4.621 467 HB2 LYS 64 HB2 LYS 64 1.931 -11.580 4.691 468 HB3 LYS 64 HB1 LYS 64 0.326 -11.211 5.319 469 HG2 LYS 64 HG2 LYS 64 -0.459 -10.569 3.151 470 HG3 LYS 64 HG1 LYS 64 1.163 -10.690 2.477 471 HD2 LYS 64 HD2 LYS 64 -0.448 -12.983 3.596 472 HD3 LYS 64 HD1 LYS 64 -0.248 -12.615 1.882 473 HE2 LYS 64 HE2 LYS 64 2.220 -12.842 2.209 474 HE3 LYS 64 HE1 LYS 64 1.898 -13.395 3.848 475 HZ1 LYS 64 HZ1 LYS 64 0.622 -15.265 2.892 476 HZ2 LYS 64 HZ2 LYS 64 2.234 -15.233 2.361 477 HZ3 LYS 64 HZ3 LYS 64 1.011 -14.687 1.341 478 H ASN 65 HN ASN 65 3.668 -8.663 5.800 479 HA ASN 65 HA ASN 65 3.028 -9.074 8.586 480 HB2 ASN 65 HB2 ASN 65 5.470 -7.999 7.172 481 HB3 ASN 65 HB1 ASN 65 5.302 -7.947 8.916 482 HD21 ASN 65 HD21 ASN 65 7.322 -9.309 7.356 483 HD22 ASN 65 HD22 ASN 65 7.160 -10.984 7.748 484 H LEU 66 HN LEU 66 2.567 -6.663 6.237 485 HA LEU 66 HA LEU 66 2.659 -4.446 8.101 486 HB2 LEU 66 HB2 LEU 66 1.879 -4.610 5.186 487 HB3 LEU 66 HB1 LEU 66 2.009 -3.128 6.114 488 HG LEU 66 HG LEU 66 4.333 -4.980 5.579 489 HD11 LEU 66 HD11 LEU 66 5.039 -3.280 3.953 490 HD12 LEU 66 HD12 LEU 66 3.485 -2.459 4.184 491 HD13 LEU 66 HD13 LEU 66 3.532 -4.079 3.500 492 HD21 LEU 66 HD21 LEU 66 4.578 -3.585 7.567 493 HD22 LEU 66 HD22 LEU 66 4.195 -2.153 6.612 494 HD23 LEU 66 HD23 LEU 66 5.671 -3.062 6.284 495 H LYS 67 HN LYS 67 0.583 -2.954 7.749 496 HA LYS 67 HA LYS 67 -1.822 -4.550 7.624 497 HB2 LYS 67 HB2 LYS 67 -2.572 -3.803 9.930 498 HB3 LYS 67 HB1 LYS 67 -1.317 -5.029 9.862 499 HG2 LYS 67 HG2 LYS 67 0.352 -3.174 10.184 500 HG3 LYS 67 HG1 LYS 67 -1.011 -2.111 10.516 501 HD2 LYS 67 HD2 LYS 67 -0.109 -2.922 12.618 502 HD3 LYS 67 HD1 LYS 67 -1.712 -3.615 12.357 503 HE2 LYS 67 HE2 LYS 67 -0.681 -5.688 11.549 504 HE3 LYS 67 HE1 LYS 67 0.917 -4.991 11.789 505 HZ1 LYS 67 HZ1 LYS 67 -1.085 -5.522 13.928 506 HZ2 LYS 67 HZ2 LYS 67 0.412 -4.803 14.153 507 HZ3 LYS 67 HZ3 LYS 67 0.333 -6.419 13.632 508 H THR 68 HN THR 68 -1.114 -1.280 8.980 509 HA THR 68 HA THR 68 -3.434 -0.326 7.534 510 HB THR 68 HB THR 68 -3.065 1.770 8.766 511 HG1 THR 68 HG1 THR 68 -1.344 1.960 10.165 512 HG21 THR 68 HG21 THR 68 -2.783 -0.656 10.544 513 HG22 THR 68 HG22 THR 68 -4.303 -0.018 9.922 514 HG23 THR 68 HG23 THR 68 -3.349 0.929 11.063 515 H VAL 69 HN VAL 69 -2.949 2.094 6.637 516 HA VAL 69 HA VAL 69 -0.844 1.650 4.714 517 HB VAL 69 HB VAL 69 -1.534 3.727 3.602 518 HG11 VAL 69 HG11 VAL 69 -3.817 3.132 2.968 519 HG12 VAL 69 HG12 VAL 69 -3.906 2.026 4.339 520 HG13 VAL 69 HG13 VAL 69 -2.763 1.719 3.033 521 HG21 VAL 69 HG21 VAL 69 -2.086 5.050 5.560 522 HG22 VAL 69 HG22 VAL 69 -3.506 4.035 5.855 523 HG23 VAL 69 HG23 VAL 69 -3.431 5.040 4.418 524 H GLY 70 HN GLY 70 -1.190 3.015 7.725 525 HA2 GLY 70 HA2 GLY 70 1.022 4.846 7.521 526 HA3 GLY 70 HA1 GLY 70 0.167 4.389 8.997 527 H ASP 71 HN ASP 71 0.411 1.558 8.479 528 HA ASP 71 HA ASP 71 3.100 1.181 9.439 529 HB2 ASP 71 HB2 ASP 71 1.275 -0.133 10.412 530 HB3 ASP 71 HB1 ASP 71 0.942 -0.850 8.839 531 H ALA 72 HN ALA 72 1.314 0.604 6.494 532 HA ALA 72 HA ALA 72 3.202 -1.025 5.205 533 HB1 ALA 72 HB1 ALA 72 1.194 0.852 3.968 534 HB2 ALA 72 HB2 ALA 72 0.892 -0.824 4.430 535 HB3 ALA 72 HB3 ALA 72 2.034 -0.456 3.138 536 H THR 73 HN THR 73 2.936 2.451 5.562 537 HA THR 73 HA THR 73 4.767 3.004 3.569 538 HB THR 73 HB THR 73 4.806 5.273 4.892 539 HG1 THR 73 HG1 THR 73 2.255 4.548 5.669 540 HG21 THR 73 HG21 THR 73 3.805 4.941 2.679 541 HG22 THR 73 HG22 THR 73 2.764 5.935 3.699 542 HG23 THR 73 HG23 THR 73 2.372 4.237 3.431 543 H LYS 74 HN LYS 74 5.078 1.994 6.810 544 HA LYS 74 HA LYS 74 7.489 3.182 7.591 545 HB2 LYS 74 HB2 LYS 74 6.043 2.040 9.180 546 HB3 LYS 74 HB1 LYS 74 6.273 0.513 8.352 547 HG2 LYS 74 HG2 LYS 74 7.565 0.467 10.344 548 HG3 LYS 74 HG1 LYS 74 8.688 0.624 8.995 549 HD2 LYS 74 HD2 LYS 74 8.833 3.040 9.427 550 HD3 LYS 74 HD1 LYS 74 7.737 2.848 10.798 551 HE2 LYS 74 HE2 LYS 74 9.363 1.263 11.808 552 HE3 LYS 74 HE1 LYS 74 10.473 1.613 10.486 553 HZ1 LYS 74 HZ1 LYS 74 10.436 3.963 11.194 554 HZ2 LYS 74 HZ2 LYS 74 11.030 2.928 12.385 555 HZ3 LYS 74 HZ3 LYS 74 9.458 3.524 12.512 556 H TYR 75 HN TYR 75 6.860 0.036 6.067 557 HA TYR 75 HA TYR 75 9.539 -0.814 5.833 558 HB2 TYR 75 HB2 TYR 75 7.746 -2.415 5.584 559 HB3 TYR 75 HB1 TYR 75 7.092 -1.541 4.205 560 HD1 TYR 75 HD1 TYR 75 10.015 -3.521 5.336 561 HD2 TYR 75 HD2 TYR 75 7.830 -2.027 2.017 562 HE1 TYR 75 HE1 TYR 75 11.371 -4.888 3.827 563 HE2 TYR 75 HE2 TYR 75 9.197 -3.394 0.501 564 HH TYR 75 HH TYR 75 11.176 -4.546 0.363 565 H ILE 76 HN ILE 76 7.473 0.981 3.727 566 HA ILE 76 HA ILE 76 9.158 1.067 1.473 567 HB ILE 76 HB ILE 76 6.856 2.788 2.370 568 HG12 ILE 76 HG12 ILE 76 7.052 0.632 0.258 569 HG13 ILE 76 HG11 ILE 76 6.437 0.388 1.888 570 HG21 ILE 76 HG21 ILE 76 6.789 3.629 0.050 571 HG22 ILE 76 HG22 ILE 76 8.336 2.814 -0.265 572 HG23 ILE 76 HG23 ILE 76 8.229 4.101 0.947 573 HD11 ILE 76 HD11 ILE 76 4.645 0.627 0.284 574 HD12 ILE 76 HD12 ILE 76 5.278 2.214 -0.182 575 HD13 ILE 76 HD13 ILE 76 4.660 1.951 1.453 576 H LEU 77 HN LEU 77 8.278 3.745 3.678 577 HA LEU 77 HA LEU 77 10.218 5.529 2.960 578 HB2 LEU 77 HB2 LEU 77 8.488 5.092 5.260 579 HB3 LEU 77 HB1 LEU 77 9.762 6.297 5.479 580 HG LEU 77 HG LEU 77 8.753 7.563 3.572 581 HD11 LEU 77 HD11 LEU 77 6.532 6.958 2.762 582 HD12 LEU 77 HD12 LEU 77 6.589 5.474 3.717 583 HD13 LEU 77 HD13 LEU 77 7.713 5.704 2.376 584 HD21 LEU 77 HD21 LEU 77 6.753 8.285 4.784 585 HD22 LEU 77 HD22 LEU 77 8.154 8.099 5.842 586 HD23 LEU 77 HD23 LEU 77 6.895 6.865 5.824 587 H ASP 78 HN ASP 78 10.539 2.769 4.950 588 HA ASP 78 HA ASP 78 12.919 3.471 6.303 589 HB2 ASP 78 HB2 ASP 78 11.630 1.504 6.942 590 HB3 ASP 78 HB1 ASP 78 11.974 0.754 5.388 591 H HIS 79 HN HIS 79 12.380 1.911 3.185 592 HA HIS 79 HA HIS 79 15.285 2.021 2.653 593 HB2 HIS 79 HB2 HIS 79 13.100 0.547 1.169 594 HB3 HIS 79 HB1 HIS 79 14.760 0.632 0.622 595 HD1 HIS 79 HD1 HIS 79 16.526 -0.709 2.026 596 HD2 HIS 79 HD2 HIS 79 12.569 -1.326 3.129 597 HE1 HIS 79 HE1 HIS 79 16.510 -2.856 3.318 598 HE2 HIS 79 HE2 HIS 79 14.075 -3.373 3.494 599 H GLN 80 HN GLN 80 12.281 2.586 0.865 600 HA GLN 80 HA GLN 80 11.593 3.969 -0.720 601 HB2 GLN 80 HB2 GLN 80 13.720 5.869 0.248 602 HB3 GLN 80 HB1 GLN 80 12.290 6.278 -0.692 603 HG2 GLN 80 HG2 GLN 80 10.914 5.436 1.172 604 HG3 GLN 80 HG1 GLN 80 12.389 5.242 2.110 605 HE21 GLN 80 HE21 GLN 80 10.062 7.407 0.926 606 HE22 GLN 80 HE22 GLN 80 10.733 8.850 1.602 607 H ALA 81 HN ALA 81 12.250 5.330 -2.640 608 HA ALA 81 HA ALA 81 14.552 4.092 -3.953 609 HB1 ALA 81 HB1 ALA 81 13.365 4.540 -6.035 610 HB2 ALA 81 HB2 ALA 81 12.036 5.249 -5.121 611 HB3 ALA 81 HB3 ALA 81 12.406 3.530 -4.954 612 H28 SXO 101 H28B SXO 101 -6.253 -10.455 4.983 613 H28A SXO 101 H28A SXO 101 -6.427 -10.413 3.227 614 H30 SXO 101 H30A SXO 101 -6.320 -13.954 5.498 615 H30A SXO 101 H30C SXO 101 -5.997 -12.324 6.125 616 H30B SXO 101 H30B SXO 101 -7.656 -12.776 5.649 617 H31 SXO 101 H31A SXO 101 -6.852 -14.188 3.058 618 H31A SXO 101 H31B SXO 101 -6.979 -12.700 2.106 619 H31B SXO 101 H31C SXO 101 -8.188 -13.060 3.338 620 H32 SXO 101 H32A SXO 101 -4.191 -12.117 4.573 621 HO33 SXO 101 H33A SXO 101 -4.191 -14.164 2.922 622 HN36 SXO 101 H36A SXO 101 -4.754 -10.306 2.956 623 H37 SXO 101 H37A SXO 101 -3.391 -10.883 0.444 624 H37A SXO 101 H37B SXO 101 -4.978 -10.119 0.408 625 H38 SXO 101 H38B SXO 101 -3.267 -8.443 0.234 626 H38A SXO 101 H38A SXO 101 -2.516 -9.026 1.727 627 HN41 SXO 101 H41A SXO 101 -3.434 -8.652 3.670 628 H42 SXO 101 H42A SXO 101 -4.866 -6.222 3.923 629 H42A SXO 101 H42B SXO 101 -5.815 -7.616 4.326 630 H43 SXO 101 H43B SXO 101 -4.961 -7.084 6.339 631 H43A SXO 101 H43A SXO 101 -3.920 -8.395 5.784 632 H2 SXO 101 H2A SXO 101 0.289 -6.968 4.029 633 H2A SXO 101 H2B SXO 101 -0.028 -5.859 5.363 634 H3 SXO 101 H3B SXO 101 -1.241 -5.692 2.624 635 H3A SXO 101 H3A SXO 101 -1.429 -4.516 3.932 636 H4 SXO 101 H4A SXO 101 1.210 -5.281 2.686 637 H4A SXO 101 H4B SXO 101 0.926 -3.998 3.863 638 H5 SXO 101 H5B SXO 101 -0.186 -4.085 1.066 639 H5A SXO 101 H5A SXO 101 -0.448 -2.801 2.248 640 H6 SXO 101 H6A SXO 101 2.225 -3.642 1.131 641 H6A SXO 101 H6B SXO 101 1.943 -2.330 2.278 642 H7 SXO 101 H7A SXO 101 0.571 -1.163 0.594 643 H7A SXO 101 H7B SXO 101 0.907 -2.469 -0.557 644 H8 SXO 101 H8C SXO 101 3.289 -1.991 -0.384 645 H8A SXO 101 H8A SXO 101 2.953 -0.703 0.773 646 H8B SXO 101 H8B SXO 101 2.389 -0.562 -0.893 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 13.484 9.588 -4.402 2 H2 ALA 1 HT2 ALA 1 12.522 8.444 -5.232 3 H3 ALA 1 HT3 ALA 1 13.956 7.969 -4.499 4 HA ALA 1 HA ALA 1 12.081 7.280 -3.215 5 HB1 ALA 1 HB1 ALA 1 12.878 8.079 -1.084 6 HB2 ALA 1 HB2 ALA 1 13.747 9.397 -1.876 7 HB3 ALA 1 HB3 ALA 1 14.235 7.721 -2.155 8 H ALA 2 HN ALA 2 10.003 7.706 -3.220 9 HA ALA 2 HA ALA 2 8.998 10.426 -2.934 10 HB1 ALA 2 HB1 ALA 2 6.787 9.381 -3.310 11 HB2 ALA 2 HB2 ALA 2 7.550 7.793 -3.330 12 HB3 ALA 2 HB3 ALA 2 7.921 8.964 -4.596 13 H THR 3 HN THR 3 7.647 10.984 -1.135 14 HA THR 3 HA THR 3 8.450 9.364 1.113 15 HB THR 3 HB THR 3 7.202 12.075 1.576 16 HG1 THR 3 HG1 THR 3 8.868 12.140 -0.221 17 HG21 THR 3 HG21 THR 3 9.026 12.175 3.267 18 HG22 THR 3 HG22 THR 3 9.509 10.542 2.781 19 HG23 THR 3 HG23 THR 3 7.941 10.818 3.539 20 H GLN 4 HN GLN 4 6.676 9.681 3.149 21 HA GLN 4 HA GLN 4 5.044 7.566 2.483 22 HB2 GLN 4 HB2 GLN 4 4.033 7.745 4.683 23 HB3 GLN 4 HB1 GLN 4 5.772 7.946 4.768 24 HG2 GLN 4 HG2 GLN 4 5.522 10.327 5.050 25 HG3 GLN 4 HG1 GLN 4 3.780 10.196 4.820 26 HE21 GLN 4 HE21 GLN 4 5.701 7.914 6.684 27 HE22 GLN 4 HE22 GLN 4 4.996 8.327 8.198 28 H GLU 5 HN GLU 5 4.128 10.987 2.619 29 HA GLU 5 HA GLU 5 1.366 10.490 2.236 30 HB2 GLU 5 HB2 GLU 5 2.212 12.671 3.017 31 HB3 GLU 5 HB1 GLU 5 2.984 12.931 1.456 32 HG2 GLU 5 HG2 GLU 5 0.807 12.940 0.375 33 HG3 GLU 5 HG1 GLU 5 0.024 12.669 1.932 34 H GLU 6 HN GLU 6 4.003 11.171 0.023 35 HA GLU 6 HA GLU 6 2.626 11.076 -2.423 36 HB2 GLU 6 HB2 GLU 6 5.456 10.259 -1.757 37 HB3 GLU 6 HB1 GLU 6 4.841 10.441 -3.387 38 HG2 GLU 6 HG2 GLU 6 5.032 12.624 -1.334 39 HG3 GLU 6 HG1 GLU 6 6.169 12.341 -2.651 40 H ILE 7 HN ILE 7 4.131 8.595 -0.457 41 HA ILE 7 HA ILE 7 3.862 6.512 -2.183 42 HB ILE 7 HB ILE 7 3.798 6.348 0.839 43 HG12 ILE 7 HG12 ILE 7 5.856 7.361 0.019 44 HG13 ILE 7 HG11 ILE 7 6.191 5.738 0.600 45 HG21 ILE 7 HG21 ILE 7 4.295 4.171 -1.197 46 HG22 ILE 7 HG22 ILE 7 2.891 4.313 -0.142 47 HG23 ILE 7 HG23 ILE 7 4.485 3.998 0.549 48 HD11 ILE 7 HD11 ILE 7 5.872 6.548 -2.278 49 HD12 ILE 7 HD12 ILE 7 6.249 4.923 -1.696 50 HD13 ILE 7 HD13 ILE 7 7.398 6.241 -1.451 51 H VAL 8 HN VAL 8 1.835 7.382 0.644 52 HA VAL 8 HA VAL 8 -0.213 5.513 0.416 53 HB VAL 8 HB VAL 8 -0.316 8.313 1.593 54 HG11 VAL 8 HG11 VAL 8 -2.570 7.504 1.088 55 HG12 VAL 8 HG12 VAL 8 -2.279 7.539 2.828 56 HG13 VAL 8 HG13 VAL 8 -2.226 6.007 1.956 57 HG21 VAL 8 HG21 VAL 8 1.295 6.830 2.659 58 HG22 VAL 8 HG22 VAL 8 0.030 5.613 2.868 59 HG23 VAL 8 HG23 VAL 8 -0.081 7.151 3.718 60 H ALA 9 HN ALA 9 -0.146 8.850 -0.852 61 HA ALA 9 HA ALA 9 -2.677 8.836 -2.016 62 HB1 ALA 9 HB1 ALA 9 -1.341 10.864 -1.684 63 HB2 ALA 9 HB2 ALA 9 -1.882 10.716 -3.360 64 HB3 ALA 9 HB3 ALA 9 -0.217 10.320 -2.931 65 H GLY 10 HN GLY 10 0.405 7.673 -3.226 66 HA2 GLY 10 HA2 GLY 10 -0.477 7.153 -5.887 67 HA3 GLY 10 HA1 GLY 10 0.976 6.493 -5.126 68 H LEU 11 HN LEU 11 -0.235 5.267 -2.935 69 HA LEU 11 HA LEU 11 -0.880 2.710 -3.852 70 HB2 LEU 11 HB2 LEU 11 -1.618 4.033 -1.238 71 HB3 LEU 11 HB1 LEU 11 -1.817 2.329 -1.557 72 HG LEU 11 HG LEU 11 0.840 3.765 -1.525 73 HD11 LEU 11 HD11 LEU 11 -0.203 3.724 0.696 74 HD12 LEU 11 HD12 LEU 11 1.184 2.643 0.623 75 HD13 LEU 11 HD13 LEU 11 -0.451 1.983 0.549 76 HD21 LEU 11 HD21 LEU 11 0.154 0.828 -1.577 77 HD22 LEU 11 HD22 LEU 11 1.777 1.516 -1.497 78 HD23 LEU 11 HD23 LEU 11 0.781 1.759 -2.934 79 H ALA 12 HN ALA 12 -2.964 5.323 -2.784 80 HA ALA 12 HA ALA 12 -5.383 3.932 -3.082 81 HB1 ALA 12 HB1 ALA 12 -6.463 6.031 -2.861 82 HB2 ALA 12 HB2 ALA 12 -4.944 6.899 -3.138 83 HB3 ALA 12 HB3 ALA 12 -5.157 5.896 -1.687 84 H GLU 13 HN GLU 13 -3.372 5.541 -5.408 85 HA GLU 13 HA GLU 13 -5.368 5.922 -7.375 86 HB2 GLU 13 HB2 GLU 13 -2.386 5.585 -7.635 87 HB3 GLU 13 HB1 GLU 13 -3.445 5.947 -8.985 88 HG2 GLU 13 HG2 GLU 13 -4.102 8.036 -7.882 89 HG3 GLU 13 HG1 GLU 13 -2.996 7.665 -6.558 90 H ILE 14 HN ILE 14 -3.154 3.250 -6.707 91 HA ILE 14 HA ILE 14 -4.367 1.794 -8.865 92 HB ILE 14 HB ILE 14 -2.565 0.571 -6.727 93 HG12 ILE 14 HG12 ILE 14 -0.898 0.553 -8.780 94 HG13 ILE 14 HG11 ILE 14 -1.864 1.908 -9.331 95 HG21 ILE 14 HG21 ILE 14 -2.225 -1.223 -8.366 96 HG22 ILE 14 HG22 ILE 14 -3.382 -0.421 -9.441 97 HG23 ILE 14 HG23 ILE 14 -3.917 -1.049 -7.881 98 HD11 ILE 14 HD11 ILE 14 -1.328 3.081 -7.211 99 HD12 ILE 14 HD12 ILE 14 0.081 2.707 -8.200 100 HD13 ILE 14 HD13 ILE 14 -0.265 1.732 -6.780 101 H VAL 15 HN VAL 15 -4.697 1.920 -5.365 102 HA VAL 15 HA VAL 15 -6.483 -0.234 -5.200 103 HB VAL 15 HB VAL 15 -6.139 2.072 -3.225 104 HG11 VAL 15 HG11 VAL 15 -7.682 -0.495 -2.874 105 HG12 VAL 15 HG12 VAL 15 -8.389 1.116 -3.014 106 HG13 VAL 15 HG13 VAL 15 -7.374 0.715 -1.627 107 HG21 VAL 15 HG21 VAL 15 -4.216 0.565 -3.390 108 HG22 VAL 15 HG22 VAL 15 -5.298 -0.813 -3.137 109 HG23 VAL 15 HG23 VAL 15 -5.076 0.362 -1.854 110 H ASN 16 HN ASN 16 -7.004 2.986 -6.259 111 HA ASN 16 HA ASN 16 -9.815 3.054 -6.103 112 HB2 ASN 16 HB2 ASN 16 -8.476 5.072 -6.536 113 HB3 ASN 16 HB1 ASN 16 -7.958 4.414 -8.081 114 HD21 ASN 16 HD21 ASN 16 -10.612 5.845 -6.300 115 HD22 ASN 16 HD22 ASN 16 -11.576 6.184 -7.685 116 H GLU 17 HN GLU 17 -7.630 1.510 -8.336 117 HA GLU 17 HA GLU 17 -9.780 0.759 -10.125 118 HB2 GLU 17 HB2 GLU 17 -7.498 1.031 -11.034 119 HB3 GLU 17 HB1 GLU 17 -6.930 -0.273 -9.991 120 HG2 GLU 17 HG2 GLU 17 -8.461 -1.826 -11.139 121 HG3 GLU 17 HG1 GLU 17 -8.956 -0.517 -12.205 122 H ILE 18 HN ILE 18 -7.772 -0.694 -7.666 123 HA ILE 18 HA ILE 18 -8.643 -3.344 -7.786 124 HB ILE 18 HB ILE 18 -7.747 -1.804 -5.331 125 HG12 ILE 18 HG12 ILE 18 -6.071 -1.706 -7.097 126 HG13 ILE 18 HG11 ILE 18 -5.515 -2.752 -5.797 127 HG21 ILE 18 HG21 ILE 18 -7.117 -3.982 -4.396 128 HG22 ILE 18 HG22 ILE 18 -7.811 -4.784 -5.803 129 HG23 ILE 18 HG23 ILE 18 -8.850 -3.879 -4.702 130 HD11 ILE 18 HD11 ILE 18 -6.667 -3.648 -8.428 131 HD12 ILE 18 HD12 ILE 18 -6.109 -4.710 -7.135 132 HD13 ILE 18 HD13 ILE 18 -4.961 -3.666 -7.973 133 H ALA 19 HN ALA 19 -9.846 -0.735 -5.677 134 HA ALA 19 HA ALA 19 -12.299 -2.323 -5.339 135 HB1 ALA 19 HB1 ALA 19 -10.944 -2.361 -3.322 136 HB2 ALA 19 HB2 ALA 19 -12.489 -1.543 -3.072 137 HB3 ALA 19 HB3 ALA 19 -11.008 -0.599 -3.250 138 H GLY 20 HN GLY 20 -10.936 0.948 -5.364 139 HA2 GLY 20 HA2 GLY 20 -12.080 2.666 -6.637 140 HA3 GLY 20 HA1 GLY 20 -13.597 1.861 -6.263 141 H ILE 21 HN ILE 21 -10.885 3.009 -4.308 142 HA ILE 21 HA ILE 21 -12.811 4.341 -2.579 143 HB ILE 21 HB ILE 21 -10.700 4.680 -1.096 144 HG12 ILE 21 HG12 ILE 21 -9.085 2.766 -1.227 145 HG13 ILE 21 HG11 ILE 21 -9.787 2.332 -2.774 146 HG21 ILE 21 HG21 ILE 21 -11.058 2.560 0.037 147 HG22 ILE 21 HG22 ILE 21 -12.061 2.022 -1.322 148 HG23 ILE 21 HG23 ILE 21 -12.531 3.434 -0.363 149 HD11 ILE 21 HD11 ILE 21 -7.696 3.513 -3.046 150 HD12 ILE 21 HD12 ILE 21 -8.324 4.890 -2.133 151 HD13 ILE 21 HD13 ILE 21 -9.026 4.467 -3.696 152 HA PRO 22 HA PRO 22 -11.452 8.375 -3.784 153 HB2 PRO 22 HB2 PRO 22 -11.484 9.232 -0.970 154 HB3 PRO 22 HB1 PRO 22 -12.531 9.746 -2.297 155 HG2 PRO 22 HG2 PRO 22 -13.471 8.236 -0.304 156 HG3 PRO 22 HG1 PRO 22 -14.020 7.994 -1.974 157 HD2 PRO 22 HD2 PRO 22 -11.934 6.489 -0.432 158 HD3 PRO 22 HD1 PRO 22 -13.256 5.816 -1.401 159 H VAL 23 HN VAL 23 -9.467 9.162 -4.157 160 HA VAL 23 HA VAL 23 -7.224 7.933 -3.082 161 HB VAL 23 HB VAL 23 -7.325 8.891 -5.334 162 HG11 VAL 23 HG11 VAL 23 -7.243 11.575 -3.989 163 HG12 VAL 23 HG12 VAL 23 -8.573 10.904 -4.937 164 HG13 VAL 23 HG13 VAL 23 -7.038 11.290 -5.718 165 HG21 VAL 23 HG21 VAL 23 -5.188 8.445 -4.364 166 HG22 VAL 23 HG22 VAL 23 -5.165 10.045 -3.614 167 HG23 VAL 23 HG23 VAL 23 -5.093 9.892 -5.379 168 H GLU 24 HN GLU 24 -8.847 10.905 -2.134 169 HA GLU 24 HA GLU 24 -6.665 11.669 -0.374 170 HB2 GLU 24 HB2 GLU 24 -9.389 12.880 -0.787 171 HB3 GLU 24 HB1 GLU 24 -8.105 13.570 0.191 172 HG2 GLU 24 HG2 GLU 24 -6.760 13.972 -1.722 173 HG3 GLU 24 HG1 GLU 24 -7.845 13.027 -2.747 174 H ASP 25 HN ASP 25 -9.110 9.425 -0.135 175 HA ASP 25 HA ASP 25 -9.919 10.081 2.579 176 HB2 ASP 25 HB2 ASP 25 -11.519 9.060 0.943 177 HB3 ASP 25 HB1 ASP 25 -10.538 7.600 0.954 178 H VAL 26 HN VAL 26 -7.744 8.109 0.886 179 HA VAL 26 HA VAL 26 -7.071 6.381 3.087 180 HB VAL 26 HB VAL 26 -5.631 6.783 0.452 181 HG11 VAL 26 HG11 VAL 26 -4.305 5.612 2.126 182 HG12 VAL 26 HG12 VAL 26 -4.787 4.514 0.834 183 HG13 VAL 26 HG13 VAL 26 -5.621 4.467 2.388 184 HG21 VAL 26 HG21 VAL 26 -6.897 4.846 -0.372 185 HG22 VAL 26 HG22 VAL 26 -7.954 6.203 0.023 186 HG23 VAL 26 HG23 VAL 26 -7.835 4.832 1.122 187 H LYS 27 HN LYS 27 -6.353 7.728 4.682 188 HA LYS 27 HA LYS 27 -3.821 9.085 4.141 189 HB2 LYS 27 HB2 LYS 27 -5.761 9.460 6.437 190 HB3 LYS 27 HB1 LYS 27 -4.166 10.203 6.378 191 HG2 LYS 27 HG2 LYS 27 -6.400 10.653 4.408 192 HG3 LYS 27 HG1 LYS 27 -5.876 11.771 5.673 193 HD2 LYS 27 HD2 LYS 27 -3.717 12.004 4.648 194 HD3 LYS 27 HD1 LYS 27 -4.102 10.761 3.460 195 HE2 LYS 27 HE2 LYS 27 -5.881 12.196 2.568 196 HE3 LYS 27 HE1 LYS 27 -5.433 13.451 3.730 197 HZ1 LYS 27 HZ1 LYS 27 -4.380 13.827 1.538 198 HZ2 LYS 27 HZ2 LYS 27 -3.630 12.311 1.676 199 HZ3 LYS 27 HZ3 LYS 27 -3.254 13.539 2.758 200 H LEU 28 HN LEU 28 -2.521 9.034 6.448 201 HA LEU 28 HA LEU 28 -1.223 6.603 6.301 202 HB2 LEU 28 HB2 LEU 28 -1.147 8.725 8.418 203 HB3 LEU 28 HB1 LEU 28 -0.178 7.278 8.551 204 HG LEU 28 HG LEU 28 1.196 9.038 7.736 205 HD11 LEU 28 HD11 LEU 28 2.008 8.133 5.626 206 HD12 LEU 28 HD12 LEU 28 0.544 7.157 5.500 207 HD13 LEU 28 HD13 LEU 28 1.672 6.883 6.826 208 HD21 LEU 28 HD21 LEU 28 -0.487 10.541 6.818 209 HD22 LEU 28 HD22 LEU 28 -0.783 9.425 5.484 210 HD23 LEU 28 HD23 LEU 28 0.778 10.233 5.628 211 H ASP 29 HN ASP 29 -3.774 7.454 8.532 212 HA ASP 29 HA ASP 29 -3.323 5.042 10.083 213 HB2 ASP 29 HB2 ASP 29 -5.449 7.160 10.337 214 HB3 ASP 29 HB1 ASP 29 -5.316 5.774 11.412 215 H LYS 30 HN LYS 30 -4.478 5.192 7.182 216 HA LYS 30 HA LYS 30 -6.845 3.546 7.653 217 HB2 LYS 30 HB2 LYS 30 -5.761 4.748 5.096 218 HB3 LYS 30 HB1 LYS 30 -7.216 3.771 5.205 219 HG2 LYS 30 HG2 LYS 30 -6.769 6.443 6.533 220 HG3 LYS 30 HG1 LYS 30 -7.756 6.143 5.098 221 HD2 LYS 30 HD2 LYS 30 -9.203 4.678 6.407 222 HD3 LYS 30 HD1 LYS 30 -8.208 4.962 7.829 223 HE2 LYS 30 HE2 LYS 30 -8.787 7.328 7.751 224 HE3 LYS 30 HE1 LYS 30 -9.792 7.036 6.328 225 HZ1 LYS 30 HZ1 LYS 30 -11.216 7.028 8.244 226 HZ2 LYS 30 HZ2 LYS 30 -10.239 5.929 9.062 227 HZ3 LYS 30 HZ3 LYS 30 -11.086 5.453 7.684 228 H SER 31 HN SER 31 -6.929 1.416 7.107 229 HA SER 31 HA SER 31 -4.549 0.146 6.006 230 HB2 SER 31 HB2 SER 31 -5.679 -1.847 7.134 231 HB3 SER 31 HB1 SER 31 -4.991 -0.609 8.200 232 HG SER 31 HG SER 31 -6.917 -0.488 8.988 233 H PHE 32 HN PHE 32 -5.281 -1.934 4.652 234 HA PHE 32 HA PHE 32 -6.879 -0.763 2.619 235 HB2 PHE 32 HB2 PHE 32 -5.476 -3.419 2.779 236 HB3 PHE 32 HB1 PHE 32 -6.268 -2.783 1.342 237 HD1 PHE 32 HD1 PHE 32 -3.396 -2.420 3.609 238 HD2 PHE 32 HD2 PHE 32 -5.274 -1.008 0.055 239 HE1 PHE 32 HE1 PHE 32 -1.323 -1.256 2.983 240 HE2 PHE 32 HE2 PHE 32 -3.199 0.159 -0.575 241 HZ PHE 32 HZ PHE 32 -1.224 0.035 0.888 242 H THR 33 HN THR 33 -7.368 -3.438 4.904 243 HA THR 33 HA THR 33 -10.059 -3.493 3.810 244 HB THR 33 HB THR 33 -8.897 -5.342 2.872 245 HG1 THR 33 HG1 THR 33 -11.060 -5.717 3.510 246 HG21 THR 33 HG21 THR 33 -7.941 -7.185 4.230 247 HG22 THR 33 HG22 THR 33 -8.264 -6.238 5.682 248 HG23 THR 33 HG23 THR 33 -7.119 -5.644 4.482 249 H ASP 34 HN ASP 34 -9.010 -2.188 6.063 250 HA ASP 34 HA ASP 34 -10.848 -3.311 8.050 251 HB2 ASP 34 HB2 ASP 34 -8.174 -2.002 8.607 252 HB3 ASP 34 HB1 ASP 34 -9.404 -2.207 9.840 253 H ASP 35 HN ASP 35 -9.026 -0.342 7.458 254 HA ASP 35 HA ASP 35 -11.361 1.228 8.077 255 HB2 ASP 35 HB2 ASP 35 -8.644 1.988 7.051 256 HB3 ASP 35 HB1 ASP 35 -9.936 3.142 7.121 257 H LEU 36 HN LEU 36 -9.668 0.228 5.152 258 HA LEU 36 HA LEU 36 -11.569 1.749 3.590 259 HB2 LEU 36 HB2 LEU 36 -9.282 0.005 2.651 260 HB3 LEU 36 HB1 LEU 36 -10.259 1.088 1.674 261 HG LEU 36 HG LEU 36 -8.351 1.943 3.836 262 HD11 LEU 36 HD11 LEU 36 -7.205 1.056 1.887 263 HD12 LEU 36 HD12 LEU 36 -7.013 2.809 1.984 264 HD13 LEU 36 HD13 LEU 36 -8.150 2.109 0.834 265 HD21 LEU 36 HD21 LEU 36 -8.783 4.200 2.992 266 HD22 LEU 36 HD22 LEU 36 -10.249 3.424 3.615 267 HD23 LEU 36 HD23 LEU 36 -9.985 3.537 1.875 268 H ASP 37 HN ASP 37 -12.162 0.367 1.525 269 HA ASP 37 HA ASP 37 -13.268 -2.166 2.476 270 HB2 ASP 37 HB2 ASP 37 -15.064 -0.411 2.438 271 HB3 ASP 37 HB1 ASP 37 -14.727 -0.135 0.737 272 H VAL 38 HN VAL 38 -11.365 -2.855 1.568 273 HA VAL 38 HA VAL 38 -11.315 -3.015 -1.362 274 HB VAL 38 HB VAL 38 -8.933 -2.685 0.476 275 HG11 VAL 38 HG11 VAL 38 -8.407 -3.963 -1.499 276 HG12 VAL 38 HG12 VAL 38 -7.640 -2.379 -1.576 277 HG13 VAL 38 HG13 VAL 38 -9.087 -2.704 -2.531 278 HG21 VAL 38 HG21 VAL 38 -10.171 -0.635 -1.358 279 HG22 VAL 38 HG22 VAL 38 -8.652 -0.443 -0.482 280 HG23 VAL 38 HG23 VAL 38 -10.169 -0.598 0.404 281 H ASP 39 HN ASP 39 -11.701 -5.120 -1.703 282 HA ASP 39 HA ASP 39 -11.411 -7.256 -0.011 283 HB2 ASP 39 HB2 ASP 39 -12.442 -7.319 -2.302 284 HB3 ASP 39 HB1 ASP 39 -10.791 -7.299 -2.931 285 H SER 40 HN SER 40 -9.823 -8.249 0.801 286 HA SER 40 HA SER 40 -7.213 -7.148 0.629 287 HB2 SER 40 HB2 SER 40 -6.665 -8.791 2.322 288 HB3 SER 40 HB1 SER 40 -8.178 -7.886 2.642 289 H LEU 41 HN LEU 41 -8.720 -10.065 -0.552 290 HA LEU 41 HA LEU 41 -6.340 -11.404 -1.191 291 HB2 LEU 41 HB2 LEU 41 -9.124 -11.691 -2.357 292 HB3 LEU 41 HB1 LEU 41 -7.797 -12.714 -2.844 293 HG LEU 41 HG LEU 41 -7.647 -13.508 -0.450 294 HD11 LEU 41 HD11 LEU 41 -8.791 -11.716 0.696 295 HD12 LEU 41 HD12 LEU 41 -9.615 -13.250 0.977 296 HD13 LEU 41 HD13 LEU 41 -10.285 -12.089 -0.166 297 HD21 LEU 41 HD21 LEU 41 -8.682 -14.843 -2.181 298 HD22 LEU 41 HD22 LEU 41 -10.217 -14.010 -1.931 299 HD23 LEU 41 HD23 LEU 41 -9.549 -15.030 -0.656 300 H SER 42 HN SER 42 -8.296 -9.034 -2.650 301 HA SER 42 HA SER 42 -7.146 -8.993 -5.264 302 HB2 SER 42 HB2 SER 42 -8.858 -7.076 -3.751 303 HB3 SER 42 HB1 SER 42 -8.603 -7.028 -5.514 304 HG SER 42 HG SER 42 -9.777 -9.152 -3.999 305 H MET 43 HN MET 43 -6.185 -7.704 -2.178 306 HA MET 43 HA MET 43 -5.014 -5.232 -3.035 307 HB2 MET 43 HB2 MET 43 -5.583 -5.860 -0.624 308 HB3 MET 43 HB1 MET 43 -4.119 -6.842 -0.643 309 HG2 MET 43 HG2 MET 43 -2.932 -4.702 -1.391 310 HG3 MET 43 HG1 MET 43 -4.379 -3.858 -0.857 311 HE1 MET 43 HE1 MET 43 -1.179 -5.760 0.046 312 HE2 MET 43 HE2 MET 43 -2.375 -6.967 0.536 313 HE3 MET 43 HE3 MET 43 -1.389 -6.156 1.751 314 H VAL 44 HN VAL 44 -4.055 -8.430 -3.152 315 HA VAL 44 HA VAL 44 -1.275 -8.313 -3.318 316 HB VAL 44 HB VAL 44 -3.102 -10.078 -4.990 317 HG11 VAL 44 HG11 VAL 44 -0.816 -10.064 -5.848 318 HG12 VAL 44 HG12 VAL 44 -1.198 -11.618 -5.105 319 HG13 VAL 44 HG13 VAL 44 -0.198 -10.449 -4.240 320 HG21 VAL 44 HG21 VAL 44 -1.840 -10.580 -2.294 321 HG22 VAL 44 HG22 VAL 44 -2.797 -11.742 -3.215 322 HG23 VAL 44 HG23 VAL 44 -3.542 -10.269 -2.596 323 H GLU 45 HN GLU 45 -3.717 -7.616 -5.778 324 HA GLU 45 HA GLU 45 -1.910 -7.293 -7.907 325 HB2 GLU 45 HB2 GLU 45 -4.686 -6.168 -7.597 326 HB3 GLU 45 HB1 GLU 45 -3.758 -6.190 -9.088 327 HG2 GLU 45 HG2 GLU 45 -3.700 -8.680 -8.912 328 HG3 GLU 45 HG1 GLU 45 -4.829 -8.538 -7.563 329 H VAL 46 HN VAL 46 -2.987 -5.093 -5.392 330 HA VAL 46 HA VAL 46 -1.780 -2.904 -6.817 331 HB VAL 46 HB VAL 46 -3.830 -2.352 -5.648 332 HG11 VAL 46 HG11 VAL 46 -3.785 -3.901 -3.821 333 HG12 VAL 46 HG12 VAL 46 -4.013 -2.256 -3.229 334 HG13 VAL 46 HG13 VAL 46 -2.434 -3.036 -3.090 335 HG21 VAL 46 HG21 VAL 46 -2.231 -0.555 -5.887 336 HG22 VAL 46 HG22 VAL 46 -1.462 -1.003 -4.368 337 HG23 VAL 46 HG23 VAL 46 -3.111 -0.375 -4.370 338 H VAL 47 HN VAL 47 -1.014 -4.937 -4.046 339 HA VAL 47 HA VAL 47 1.161 -3.329 -3.248 340 HB VAL 47 HB VAL 47 0.216 -5.001 -1.695 341 HG11 VAL 47 HG11 VAL 47 1.533 -7.074 -3.418 342 HG12 VAL 47 HG12 VAL 47 -0.199 -6.829 -3.213 343 HG13 VAL 47 HG13 VAL 47 0.784 -7.365 -1.847 344 HG21 VAL 47 HG21 VAL 47 2.319 -5.841 -0.746 345 HG22 VAL 47 HG22 VAL 47 2.428 -4.151 -1.235 346 HG23 VAL 47 HG23 VAL 47 3.149 -5.409 -2.240 347 H VAL 48 HN VAL 48 1.021 -6.008 -5.547 348 HA VAL 48 HA VAL 48 3.824 -6.060 -5.984 349 HB VAL 48 HB VAL 48 2.294 -7.960 -6.554 350 HG11 VAL 48 HG11 VAL 48 1.452 -6.270 -8.886 351 HG12 VAL 48 HG12 VAL 48 0.450 -6.791 -7.531 352 HG13 VAL 48 HG13 VAL 48 1.079 -7.980 -8.671 353 HG21 VAL 48 HG21 VAL 48 4.536 -7.957 -7.478 354 HG22 VAL 48 HG22 VAL 48 3.991 -6.990 -8.850 355 HG23 VAL 48 HG23 VAL 48 3.403 -8.639 -8.645 356 H ALA 49 HN ALA 49 1.338 -4.019 -7.091 357 HA ALA 49 HA ALA 49 2.827 -2.940 -9.331 358 HB1 ALA 49 HB1 ALA 49 0.913 -1.430 -9.572 359 HB2 ALA 49 HB2 ALA 49 0.241 -2.039 -8.059 360 HB3 ALA 49 HB3 ALA 49 0.385 -3.109 -9.452 361 H ALA 50 HN ALA 50 2.196 -2.283 -6.003 362 HA ALA 50 HA ALA 50 2.962 0.412 -5.992 363 HB1 ALA 50 HB1 ALA 50 1.572 -0.573 -4.223 364 HB2 ALA 50 HB2 ALA 50 3.002 0.210 -3.553 365 HB3 ALA 50 HB3 ALA 50 2.939 -1.546 -3.687 366 H GLU 51 HN GLU 51 4.723 -2.574 -5.637 367 HA GLU 51 HA GLU 51 7.147 -1.702 -4.616 368 HB2 GLU 51 HB2 GLU 51 6.781 -3.706 -6.851 369 HB3 GLU 51 HB1 GLU 51 8.182 -3.566 -5.802 370 HG2 GLU 51 HG2 GLU 51 6.745 -4.164 -3.884 371 HG3 GLU 51 HG1 GLU 51 5.409 -4.406 -5.008 372 H GLU 52 HN GLU 52 6.302 -2.019 -8.002 373 HA GLU 52 HA GLU 52 8.608 -0.686 -8.950 374 HB2 GLU 52 HB2 GLU 52 7.325 -0.701 -11.135 375 HB3 GLU 52 HB1 GLU 52 7.701 -2.250 -10.392 376 HG2 GLU 52 HG2 GLU 52 5.500 -2.528 -9.629 377 HG3 GLU 52 HG1 GLU 52 5.026 -0.884 -10.038 378 H ARG 53 HN ARG 53 5.324 0.413 -8.294 379 HA ARG 53 HA ARG 53 5.502 2.852 -9.718 380 HB2 ARG 53 HB2 ARG 53 3.435 1.539 -8.655 381 HB3 ARG 53 HB1 ARG 53 3.748 2.603 -7.298 382 HG2 ARG 53 HG2 ARG 53 3.080 3.480 -10.118 383 HG3 ARG 53 HG1 ARG 53 1.971 3.458 -8.757 384 HD2 ARG 53 HD2 ARG 53 3.280 5.164 -7.634 385 HD3 ARG 53 HD1 ARG 53 4.485 5.119 -8.917 386 HE ARG 53 HE ARG 53 1.694 5.902 -9.452 387 HH11 ARG 53 HH11 ARG 53 5.156 6.552 -9.668 388 HH12 ARG 53 HH12 ARG 53 4.996 8.034 -10.495 389 HH21 ARG 53 HH21 ARG 53 1.454 7.916 -10.697 390 HH22 ARG 53 HH22 ARG 53 2.819 8.816 -11.112 391 H PHE 54 HN PHE 54 6.299 1.947 -6.392 392 HA PHE 54 HA PHE 54 6.893 4.742 -5.866 393 HB2 PHE 54 HB2 PHE 54 6.510 2.475 -3.928 394 HB3 PHE 54 HB1 PHE 54 6.862 4.148 -3.480 395 HD1 PHE 54 HD2 PHE 54 5.329 5.920 -4.650 396 HD2 PHE 54 HD1 PHE 54 4.335 1.846 -4.031 397 HE1 PHE 54 HE2 PHE 54 2.961 6.456 -4.919 398 HE2 PHE 54 HE1 PHE 54 1.972 2.374 -4.309 399 HZ PHE 54 HZ PHE 54 1.284 4.666 -4.751 400 H ASP 55 HN ASP 55 8.575 2.493 -7.174 401 HA ASP 55 HA ASP 55 10.777 1.926 -7.416 402 HB2 ASP 55 HB2 ASP 55 11.302 4.383 -5.710 403 HB3 ASP 55 HB1 ASP 55 12.508 3.520 -6.641 404 H VAL 56 HN VAL 56 9.601 0.391 -5.603 405 HA VAL 56 HA VAL 56 11.691 0.027 -3.636 406 HB VAL 56 HB VAL 56 9.822 1.423 -2.669 407 HG11 VAL 56 HG11 VAL 56 8.167 -1.053 -2.921 408 HG12 VAL 56 HG12 VAL 56 7.911 0.507 -3.701 409 HG13 VAL 56 HG13 VAL 56 7.740 0.358 -1.955 410 HG21 VAL 56 HG21 VAL 56 9.681 0.233 -0.500 411 HG22 VAL 56 HG22 VAL 56 11.320 0.260 -1.155 412 HG23 VAL 56 HG23 VAL 56 10.347 -1.207 -1.274 413 H LYS 57 HN LYS 57 10.654 -2.155 -2.312 414 HA LYS 57 HA LYS 57 9.588 -4.028 -4.209 415 HB2 LYS 57 HB2 LYS 57 12.202 -4.050 -4.260 416 HB3 LYS 57 HB1 LYS 57 12.115 -4.619 -2.605 417 HG2 LYS 57 HG2 LYS 57 10.892 -6.061 -4.961 418 HG3 LYS 57 HG1 LYS 57 12.495 -6.396 -4.318 419 HD2 LYS 57 HD2 LYS 57 11.572 -7.141 -2.237 420 HD3 LYS 57 HD1 LYS 57 9.964 -6.575 -2.690 421 HE2 LYS 57 HE2 LYS 57 11.514 -8.807 -3.994 422 HE3 LYS 57 HE1 LYS 57 10.124 -8.985 -2.927 423 HZ1 LYS 57 HZ1 LYS 57 8.822 -7.681 -4.607 424 HZ2 LYS 57 HZ2 LYS 57 9.394 -9.188 -5.160 425 HZ3 LYS 57 HZ3 LYS 57 10.159 -7.786 -5.644 426 H ILE 58 HN ILE 58 8.200 -5.350 -3.041 427 HA ILE 58 HA ILE 58 8.337 -5.140 -0.128 428 HB ILE 58 HB ILE 58 5.723 -5.014 -1.690 429 HG12 ILE 58 HG12 ILE 58 7.111 -2.738 -0.235 430 HG13 ILE 58 HG11 ILE 58 7.083 -2.925 -1.982 431 HG21 ILE 58 HG21 ILE 58 6.359 -4.589 1.242 432 HG22 ILE 58 HG22 ILE 58 5.565 -6.002 0.546 433 HG23 ILE 58 HG23 ILE 58 4.763 -4.433 0.504 434 HD11 ILE 58 HD11 ILE 58 5.448 -1.292 -1.234 435 HD12 ILE 58 HD12 ILE 58 4.684 -2.506 -0.208 436 HD13 ILE 58 HD13 ILE 58 4.649 -2.688 -1.961 437 HA PRO 59 HA PRO 59 8.339 -9.549 -1.237 438 HB2 PRO 59 HB2 PRO 59 9.026 -10.294 1.334 439 HB3 PRO 59 HB1 PRO 59 10.192 -9.904 0.066 440 HG2 PRO 59 HG2 PRO 59 9.168 -8.216 2.291 441 HG3 PRO 59 HG1 PRO 59 10.809 -8.333 1.629 442 HD2 PRO 59 HD2 PRO 59 9.174 -6.291 1.044 443 HD3 PRO 59 HD1 PRO 59 10.322 -6.943 -0.147 444 H ASP 60 HN ASP 60 6.633 -10.781 -1.160 445 HA ASP 60 HA ASP 60 4.200 -10.066 -0.066 446 HB2 ASP 60 HB2 ASP 60 4.363 -11.602 -1.928 447 HB3 ASP 60 HB1 ASP 60 5.134 -12.811 -0.910 448 H ASP 61 HN ASP 61 6.682 -12.050 1.389 449 HA ASP 61 HA ASP 61 5.117 -13.044 3.539 450 HB2 ASP 61 HB2 ASP 61 7.177 -13.637 4.686 451 HB3 ASP 61 HB1 ASP 61 7.348 -14.018 2.982 452 H ASP 62 HN ASP 62 6.792 -10.027 3.072 453 HA ASP 62 HA ASP 62 6.516 -9.324 5.869 454 HB2 ASP 62 HB2 ASP 62 8.529 -8.739 4.312 455 HB3 ASP 62 HB1 ASP 62 7.506 -7.426 3.742 456 H VAL 63 HN VAL 63 4.956 -8.876 2.884 457 HA VAL 63 HA VAL 63 3.334 -6.648 3.254 458 HB VAL 63 HB VAL 63 2.639 -9.292 1.911 459 HG11 VAL 63 HG11 VAL 63 0.596 -8.062 2.425 460 HG12 VAL 63 HG12 VAL 63 0.912 -8.053 0.687 461 HG13 VAL 63 HG13 VAL 63 1.259 -6.621 1.654 462 HG21 VAL 63 HG21 VAL 63 3.626 -6.689 0.766 463 HG22 VAL 63 HG22 VAL 63 3.177 -8.120 -0.162 464 HG23 VAL 63 HG23 VAL 63 4.559 -8.176 0.929 465 H LYS 64 HN LYS 64 2.535 -10.035 4.000 466 HA LYS 64 HA LYS 64 0.076 -9.557 5.299 467 HB2 LYS 64 HB2 LYS 64 1.950 -11.865 5.821 468 HB3 LYS 64 HB1 LYS 64 0.250 -11.804 6.220 469 HG2 LYS 64 HG2 LYS 64 -0.233 -11.682 3.758 470 HG3 LYS 64 HG1 LYS 64 1.494 -11.968 3.482 471 HD2 LYS 64 HD2 LYS 64 1.316 -14.029 4.875 472 HD3 LYS 64 HD1 LYS 64 -0.416 -13.762 4.984 473 HE2 LYS 64 HE2 LYS 64 -0.012 -15.413 3.303 474 HE3 LYS 64 HE1 LYS 64 -0.525 -13.935 2.500 475 HZ1 LYS 64 HZ1 LYS 64 2.330 -14.642 2.830 476 HZ2 LYS 64 HZ2 LYS 64 1.677 -13.584 1.670 477 HZ3 LYS 64 HZ3 LYS 64 1.421 -15.242 1.584 478 H ASN 65 HN ASN 65 3.227 -8.970 6.405 479 HA ASN 65 HA ASN 65 2.648 -9.403 9.206 480 HB2 ASN 65 HB2 ASN 65 4.876 -9.965 8.284 481 HB3 ASN 65 HB1 ASN 65 5.124 -8.275 7.875 482 HD21 ASN 65 HD21 ASN 65 4.907 -10.603 10.462 483 HD22 ASN 65 HD22 ASN 65 5.652 -9.615 11.661 484 H LEU 66 HN LEU 66 2.515 -6.836 6.925 485 HA LEU 66 HA LEU 66 2.523 -4.714 8.968 486 HB2 LEU 66 HB2 LEU 66 2.214 -4.585 5.973 487 HB3 LEU 66 HB1 LEU 66 2.386 -3.216 7.052 488 HG LEU 66 HG LEU 66 4.495 -5.289 6.441 489 HD11 LEU 66 HD11 LEU 66 4.322 -2.381 5.924 490 HD12 LEU 66 HD12 LEU 66 4.026 -3.628 4.703 491 HD13 LEU 66 HD13 LEU 66 5.649 -3.428 5.411 492 HD21 LEU 66 HD21 LEU 66 5.978 -3.929 7.824 493 HD22 LEU 66 HD22 LEU 66 4.634 -4.560 8.777 494 HD23 LEU 66 HD23 LEU 66 4.628 -2.876 8.252 495 H LYS 67 HN LYS 67 0.708 -2.969 8.259 496 HA LYS 67 HA LYS 67 -1.750 -4.357 7.644 497 HB2 LYS 67 HB2 LYS 67 -2.987 -3.644 9.632 498 HB3 LYS 67 HB1 LYS 67 -1.715 -4.804 9.953 499 HG2 LYS 67 HG2 LYS 67 -0.310 -3.045 10.843 500 HG3 LYS 67 HG1 LYS 67 -1.539 -1.845 10.456 501 HD2 LYS 67 HD2 LYS 67 -1.949 -4.172 12.352 502 HD3 LYS 67 HD1 LYS 67 -1.754 -2.480 12.820 503 HE2 LYS 67 HE2 LYS 67 -3.805 -1.859 11.761 504 HE3 LYS 67 HE1 LYS 67 -3.936 -3.420 10.961 505 HZ1 LYS 67 HZ1 LYS 67 -5.440 -3.316 12.790 506 HZ2 LYS 67 HZ2 LYS 67 -4.196 -2.939 13.890 507 HZ3 LYS 67 HZ3 LYS 67 -4.229 -4.444 13.109 508 H THR 68 HN THR 68 -1.010 -1.084 8.983 509 HA THR 68 HA THR 68 -3.118 -0.077 7.296 510 HB THR 68 HB THR 68 -2.635 2.091 8.440 511 HG1 THR 68 HG1 THR 68 -1.010 2.181 9.975 512 HG21 THR 68 HG21 THR 68 -2.959 -0.303 10.258 513 HG22 THR 68 HG22 THR 68 -4.267 0.602 9.479 514 HG23 THR 68 HG23 THR 68 -3.285 1.363 10.732 515 H VAL 69 HN VAL 69 -2.494 2.159 6.233 516 HA VAL 69 HA VAL 69 -0.311 1.538 4.508 517 HB VAL 69 HB VAL 69 -0.862 3.572 3.256 518 HG11 VAL 69 HG11 VAL 69 -3.156 3.043 2.597 519 HG12 VAL 69 HG12 VAL 69 -3.353 2.083 4.055 520 HG13 VAL 69 HG13 VAL 69 -2.201 1.571 2.816 521 HG21 VAL 69 HG21 VAL 69 -2.866 4.115 5.429 522 HG22 VAL 69 HG22 VAL 69 -2.695 5.029 3.934 523 HG23 VAL 69 HG23 VAL 69 -1.396 5.038 5.129 524 H GLY 70 HN GLY 70 -0.728 3.317 7.382 525 HA2 GLY 70 HA2 GLY 70 1.672 4.866 7.131 526 HA3 GLY 70 HA1 GLY 70 0.727 4.622 8.601 527 H ASP 71 HN ASP 71 0.729 1.758 8.375 528 HA ASP 71 HA ASP 71 3.251 1.158 9.574 529 HB2 ASP 71 HB2 ASP 71 1.042 0.055 10.202 530 HB3 ASP 71 HB1 ASP 71 1.068 -0.723 8.633 531 H ALA 72 HN ALA 72 1.741 0.852 6.475 532 HA ALA 72 HA ALA 72 3.575 -0.940 5.245 533 HB1 ALA 72 HB1 ALA 72 1.258 -0.648 4.495 534 HB2 ALA 72 HB2 ALA 72 2.430 -0.402 3.199 535 HB3 ALA 72 HB3 ALA 72 1.655 0.986 3.965 536 H THR 73 HN THR 73 3.096 2.572 5.089 537 HA THR 73 HA THR 73 5.042 3.039 3.210 538 HB THR 73 HB THR 73 5.060 5.389 4.212 539 HG1 THR 73 HG1 THR 73 2.675 4.641 5.415 540 HG21 THR 73 HG21 THR 73 3.793 4.754 2.223 541 HG22 THR 73 HG22 THR 73 2.880 5.889 3.219 542 HG23 THR 73 HG23 THR 73 2.479 4.172 3.246 543 H LYS 74 HN LYS 74 5.351 2.378 6.534 544 HA LYS 74 HA LYS 74 7.841 3.669 6.953 545 HB2 LYS 74 HB2 LYS 74 6.303 3.053 8.799 546 HB3 LYS 74 HB1 LYS 74 6.612 1.354 8.476 547 HG2 LYS 74 HG2 LYS 74 8.950 1.646 9.074 548 HG3 LYS 74 HG1 LYS 74 8.677 3.367 9.342 549 HD2 LYS 74 HD2 LYS 74 7.122 2.838 11.150 550 HD3 LYS 74 HD1 LYS 74 7.377 1.114 10.867 551 HE2 LYS 74 HE2 LYS 74 9.520 3.083 11.659 552 HE3 LYS 74 HE1 LYS 74 8.703 1.979 12.761 553 HZ1 LYS 74 HZ1 LYS 74 10.893 1.189 11.984 554 HZ2 LYS 74 HZ2 LYS 74 10.316 1.098 10.412 555 HZ3 LYS 74 HZ3 LYS 74 9.645 0.115 11.613 556 H TYR 75 HN TYR 75 6.892 0.604 5.600 557 HA TYR 75 HA TYR 75 9.600 -0.430 5.641 558 HB2 TYR 75 HB2 TYR 75 7.747 -2.040 5.808 559 HB3 TYR 75 HB1 TYR 75 7.104 -1.480 4.265 560 HD1 TYR 75 HD1 TYR 75 10.179 -2.905 5.754 561 HD2 TYR 75 HD2 TYR 75 7.726 -2.622 2.308 562 HE1 TYR 75 HE1 TYR 75 11.622 -4.496 4.610 563 HE2 TYR 75 HE2 TYR 75 9.183 -4.238 1.152 564 HH TYR 75 HH TYR 75 11.547 -6.062 2.784 565 H ILE 76 HN ILE 76 7.294 0.739 3.324 566 HA ILE 76 HA ILE 76 8.740 0.552 0.949 567 HB ILE 76 HB ILE 76 6.686 2.625 1.763 568 HG12 ILE 76 HG12 ILE 76 6.324 -0.006 0.317 569 HG13 ILE 76 HG11 ILE 76 6.008 0.241 2.030 570 HG21 ILE 76 HG21 ILE 76 6.245 2.838 -0.647 571 HG22 ILE 76 HG22 ILE 76 7.565 1.722 -0.989 572 HG23 ILE 76 HG23 ILE 76 7.901 3.294 -0.257 573 HD11 ILE 76 HD11 ILE 76 3.964 0.286 0.732 574 HD12 ILE 76 HD12 ILE 76 4.615 1.620 -0.242 575 HD13 ILE 76 HD13 ILE 76 4.300 1.853 1.479 576 H LEU 77 HN LEU 77 8.363 3.387 3.084 577 HA LEU 77 HA LEU 77 10.156 5.045 1.712 578 HB2 LEU 77 HB2 LEU 77 8.377 5.874 3.109 579 HB3 LEU 77 HB1 LEU 77 9.127 5.075 4.474 580 HG LEU 77 HG LEU 77 11.006 6.661 4.374 581 HD11 LEU 77 HD11 LEU 77 10.853 8.636 2.920 582 HD12 LEU 77 HD12 LEU 77 9.421 7.938 2.154 583 HD13 LEU 77 HD13 LEU 77 10.982 7.138 1.994 584 HD21 LEU 77 HD21 LEU 77 9.069 7.117 5.785 585 HD22 LEU 77 HD22 LEU 77 8.297 7.985 4.454 586 HD23 LEU 77 HD23 LEU 77 9.782 8.612 5.174 587 H ASP 78 HN ASP 78 10.600 2.572 4.074 588 HA ASP 78 HA ASP 78 13.124 3.495 5.043 589 HB2 ASP 78 HB2 ASP 78 11.904 1.949 6.433 590 HB3 ASP 78 HB1 ASP 78 11.924 0.730 5.160 591 H HIS 79 HN HIS 79 12.195 1.228 2.534 592 HA HIS 79 HA HIS 79 15.009 0.765 1.968 593 HB2 HIS 79 HB2 HIS 79 12.506 -0.360 0.706 594 HB3 HIS 79 HB1 HIS 79 14.090 -0.608 -0.016 595 HD1 HIS 79 HD1 HIS 79 14.996 -2.832 0.568 596 HD2 HIS 79 HD2 HIS 79 12.742 -1.265 3.695 597 HE1 HIS 79 HE1 HIS 79 15.014 -4.583 2.355 598 HE2 HIS 79 HE2 HIS 79 13.570 -3.698 4.183 599 H GLN 80 HN GLN 80 12.295 1.922 -0.053 600 HA GLN 80 HA GLN 80 12.201 3.243 -1.858 601 HB2 GLN 80 HB2 GLN 80 13.821 4.827 0.068 602 HB3 GLN 80 HB1 GLN 80 13.459 5.481 -1.526 603 HG2 GLN 80 HG2 GLN 80 11.432 4.476 0.433 604 HG3 GLN 80 HG1 GLN 80 11.840 6.179 0.172 605 HE21 GLN 80 HE21 GLN 80 9.343 4.704 -0.236 606 HE22 GLN 80 HE22 GLN 80 8.921 4.970 -1.897 607 H ALA 81 HN ALA 81 13.288 4.701 -3.436 608 HA ALA 81 HA ALA 81 16.030 4.342 -4.061 609 HB1 ALA 81 HB1 ALA 81 15.606 3.512 -6.366 610 HB2 ALA 81 HB2 ALA 81 13.899 3.322 -5.974 611 HB3 ALA 81 HB3 ALA 81 15.104 2.326 -5.159 612 H28 SXO 101 H28B SXO 101 -6.481 -10.985 4.339 613 H28A SXO 101 H28A SXO 101 -6.468 -11.608 2.689 614 H30 SXO 101 H30A SXO 101 -6.774 -14.283 5.945 615 H30A SXO 101 H30C SXO 101 -6.848 -12.518 6.142 616 H30B SXO 101 H30B SXO 101 -8.130 -13.350 5.251 617 H31 SXO 101 H31A SXO 101 -6.316 -15.171 3.611 618 H31A SXO 101 H31B SXO 101 -6.163 -13.988 2.301 619 H31B SXO 101 H31C SXO 101 -7.729 -14.245 3.076 620 H32 SXO 101 H32A SXO 101 -4.548 -12.173 5.035 621 HO33 SXO 101 H33A SXO 101 -3.588 -14.503 5.085 622 HN36 SXO 101 H36A SXO 101 -4.855 -11.797 2.473 623 H37 SXO 101 H37A SXO 101 -2.215 -12.182 1.493 624 H37A SXO 101 H37B SXO 101 -3.368 -13.205 0.650 625 H38 SXO 101 H38B SXO 101 -4.664 -11.247 0.030 626 H38A SXO 101 H38A SXO 101 -3.016 -11.164 -0.594 627 HN41 SXO 101 H41A SXO 101 -4.181 -10.382 2.603 628 H42 SXO 101 H42A SXO 101 -2.789 -8.156 3.276 629 H42A SXO 101 H42B SXO 101 -4.198 -7.517 2.413 630 H43 SXO 101 H43B SXO 101 -5.717 -8.568 3.933 631 H43A SXO 101 H43A SXO 101 -4.344 -9.291 4.802 632 H2 SXO 101 H2A SXO 101 -1.130 -6.373 6.357 633 H2A SXO 101 H2B SXO 101 -2.515 -5.291 6.020 634 H3 SXO 101 H3B SXO 101 -0.839 -6.714 3.968 635 H3A SXO 101 H3A SXO 101 -2.144 -5.570 3.652 636 H4 SXO 101 H4A SXO 101 0.400 -4.931 5.149 637 H4A SXO 101 H4B SXO 101 -0.877 -3.790 4.716 638 H5 SXO 101 H5B SXO 101 0.777 -5.369 2.746 639 H5A SXO 101 H5A SXO 101 -0.440 -4.154 2.357 640 H6 SXO 101 H6A SXO 101 2.101 -3.662 3.901 641 H6A SXO 101 H6B SXO 101 0.891 -2.453 3.465 642 H7 SXO 101 H7A SXO 101 2.470 -4.072 1.453 643 H7A SXO 101 H7B SXO 101 2.872 -2.421 1.959 644 H8 SXO 101 H8C SXO 101 0.688 -1.657 1.144 645 H8A SXO 101 H8A SXO 101 0.294 -3.302 0.644 646 H8B SXO 101 H8B SXO 101 1.609 -2.432 -0.145 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 12.613 11.589 -3.019 2 H2 ALA 1 HT2 ALA 1 13.692 10.277 -3.066 3 H3 ALA 1 HT3 ALA 1 12.427 10.320 -1.940 4 HA ALA 1 HA ALA 1 12.107 10.257 -4.874 5 HB1 ALA 1 HB1 ALA 1 11.345 7.963 -4.622 6 HB2 ALA 1 HB2 ALA 1 11.648 8.039 -2.885 7 HB3 ALA 1 HB3 ALA 1 12.994 8.133 -4.022 8 H ALA 2 HN ALA 2 10.322 9.434 -1.857 9 HA ALA 2 HA ALA 2 8.247 11.290 -2.533 10 HB1 ALA 2 HB1 ALA 2 7.660 8.346 -2.559 11 HB2 ALA 2 HB2 ALA 2 7.587 9.430 -3.966 12 HB3 ALA 2 HB3 ALA 2 6.475 9.648 -2.601 13 H THR 3 HN THR 3 7.202 11.872 -0.758 14 HA THR 3 HA THR 3 8.096 10.659 1.683 15 HB THR 3 HB THR 3 7.926 13.126 1.700 16 HG1 THR 3 HG1 THR 3 7.745 12.392 3.572 17 HG21 THR 3 HG21 THR 3 4.956 12.792 1.397 18 HG22 THR 3 HG22 THR 3 6.043 13.351 0.129 19 HG23 THR 3 HG23 THR 3 5.837 14.307 1.595 20 H GLN 4 HN GLN 4 6.506 10.466 3.463 21 HA GLN 4 HA GLN 4 5.058 8.145 2.966 22 HB2 GLN 4 HB2 GLN 4 5.862 8.568 5.164 23 HB3 GLN 4 HB1 GLN 4 5.060 10.126 5.242 24 HG2 GLN 4 HG2 GLN 4 2.916 9.053 5.418 25 HG3 GLN 4 HG1 GLN 4 3.653 7.474 5.158 26 HE21 GLN 4 HE21 GLN 4 4.553 6.412 6.848 27 HE22 GLN 4 HE22 GLN 4 4.547 7.014 8.463 28 H GLU 5 HN GLU 5 4.254 11.484 2.718 29 HA GLU 5 HA GLU 5 1.389 11.095 2.711 30 HB2 GLU 5 HB2 GLU 5 2.474 13.291 3.224 31 HB3 GLU 5 HB1 GLU 5 2.977 13.393 1.544 32 HG2 GLU 5 HG2 GLU 5 0.592 13.335 0.885 33 HG3 GLU 5 HG1 GLU 5 0.167 13.386 2.596 34 H GLU 6 HN GLU 6 3.837 11.614 0.239 35 HA GLU 6 HA GLU 6 2.207 11.368 -2.037 36 HB2 GLU 6 HB2 GLU 6 5.153 10.828 -1.692 37 HB3 GLU 6 HB1 GLU 6 4.322 11.055 -3.225 38 HG2 GLU 6 HG2 GLU 6 3.835 13.349 -2.634 39 HG3 GLU 6 HG1 GLU 6 4.588 13.119 -1.055 40 H ILE 7 HN ILE 7 4.037 9.119 -0.066 41 HA ILE 7 HA ILE 7 4.006 7.011 -1.695 42 HB ILE 7 HB ILE 7 3.966 6.974 1.333 43 HG12 ILE 7 HG12 ILE 7 5.968 7.927 0.286 44 HG13 ILE 7 HG11 ILE 7 6.349 6.396 1.062 45 HG21 ILE 7 HG21 ILE 7 4.666 4.619 1.227 46 HG22 ILE 7 HG22 ILE 7 4.417 4.631 -0.519 47 HG23 ILE 7 HG23 ILE 7 3.046 4.849 0.569 48 HD11 ILE 7 HD11 ILE 7 5.922 6.825 -1.892 49 HD12 ILE 7 HD12 ILE 7 6.317 5.291 -1.121 50 HD13 ILE 7 HD13 ILE 7 7.474 6.614 -1.088 51 H VAL 8 HN VAL 8 1.757 7.773 1.026 52 HA VAL 8 HA VAL 8 -0.138 5.742 0.727 53 HB VAL 8 HB VAL 8 -0.554 8.579 1.756 54 HG11 VAL 8 HG11 VAL 8 -2.496 7.664 2.927 55 HG12 VAL 8 HG12 VAL 8 -2.228 6.105 2.150 56 HG13 VAL 8 HG13 VAL 8 -2.677 7.509 1.178 57 HG21 VAL 8 HG21 VAL 8 1.127 7.340 2.991 58 HG22 VAL 8 HG22 VAL 8 -0.009 6.005 3.202 59 HG23 VAL 8 HG23 VAL 8 -0.332 7.569 3.958 60 H ALA 9 HN ALA 9 -0.123 9.023 -0.621 61 HA ALA 9 HA ALA 9 -2.512 8.945 -2.026 62 HB1 ALA 9 HB1 ALA 9 0.028 10.365 -2.810 63 HB2 ALA 9 HB2 ALA 9 -1.196 10.979 -1.696 64 HB3 ALA 9 HB3 ALA 9 -1.592 10.740 -3.400 65 H GLY 10 HN GLY 10 0.676 7.744 -2.961 66 HA2 GLY 10 HA2 GLY 10 0.005 7.128 -5.663 67 HA3 GLY 10 HA1 GLY 10 1.393 6.505 -4.772 68 H LEU 11 HN LEU 11 0.022 5.340 -2.656 69 HA LEU 11 HA LEU 11 -0.564 2.764 -3.591 70 HB2 LEU 11 HB2 LEU 11 -1.402 4.114 -1.025 71 HB3 LEU 11 HB1 LEU 11 -1.579 2.402 -1.333 72 HG LEU 11 HG LEU 11 1.064 3.858 -1.245 73 HD11 LEU 11 HD11 LEU 11 1.349 2.783 0.943 74 HD12 LEU 11 HD12 LEU 11 -0.288 2.138 0.840 75 HD13 LEU 11 HD13 LEU 11 -0.032 3.880 0.945 76 HD21 LEU 11 HD21 LEU 11 2.002 1.599 -1.119 77 HD22 LEU 11 HD22 LEU 11 1.077 1.823 -2.602 78 HD23 LEU 11 HD23 LEU 11 0.383 0.915 -1.262 79 H ALA 12 HN ALA 12 -2.658 5.404 -2.631 80 HA ALA 12 HA ALA 12 -5.103 4.082 -2.947 81 HB1 ALA 12 HB1 ALA 12 -4.575 7.028 -3.138 82 HB2 ALA 12 HB2 ALA 12 -4.837 6.104 -1.644 83 HB3 ALA 12 HB3 ALA 12 -6.125 6.233 -2.847 84 H GLU 13 HN GLU 13 -3.002 5.516 -5.313 85 HA GLU 13 HA GLU 13 -4.936 5.975 -7.330 86 HB2 GLU 13 HB2 GLU 13 -2.021 5.254 -7.674 87 HB3 GLU 13 HB1 GLU 13 -3.066 5.947 -8.904 88 HG2 GLU 13 HG2 GLU 13 -3.316 7.957 -7.502 89 HG3 GLU 13 HG1 GLU 13 -2.182 7.257 -6.350 90 H ILE 14 HN ILE 14 -2.878 3.197 -6.614 91 HA ILE 14 HA ILE 14 -4.236 1.766 -8.674 92 HB ILE 14 HB ILE 14 -2.271 0.603 -6.648 93 HG12 ILE 14 HG12 ILE 14 -0.741 0.485 -8.736 94 HG13 ILE 14 HG11 ILE 14 -1.840 1.649 -9.453 95 HG21 ILE 14 HG21 ILE 14 -3.359 -0.554 -9.204 96 HG22 ILE 14 HG22 ILE 14 -3.736 -1.070 -7.555 97 HG23 ILE 14 HG23 ILE 14 -2.104 -1.295 -8.196 98 HD11 ILE 14 HD11 ILE 14 0.123 2.735 -8.558 99 HD12 ILE 14 HD12 ILE 14 -0.184 2.044 -6.971 100 HD13 ILE 14 HD13 ILE 14 -1.307 3.228 -7.648 101 H VAL 15 HN VAL 15 -4.524 2.079 -5.195 102 HA VAL 15 HA VAL 15 -6.316 -0.084 -4.947 103 HB VAL 15 HB VAL 15 -6.161 2.358 -3.116 104 HG11 VAL 15 HG11 VAL 15 -7.325 0.984 -1.449 105 HG12 VAL 15 HG12 VAL 15 -7.487 -0.316 -2.624 106 HG13 VAL 15 HG13 VAL 15 -8.326 1.217 -2.882 107 HG21 VAL 15 HG21 VAL 15 -5.012 -0.410 -2.820 108 HG22 VAL 15 HG22 VAL 15 -4.980 0.850 -1.596 109 HG23 VAL 15 HG23 VAL 15 -4.092 1.074 -3.116 110 H ASN 16 HN ASN 16 -6.748 3.077 -6.207 111 HA ASN 16 HA ASN 16 -9.581 3.205 -6.134 112 HB2 ASN 16 HB2 ASN 16 -8.134 5.181 -6.624 113 HB3 ASN 16 HB1 ASN 16 -7.705 4.454 -8.167 114 HD21 ASN 16 HD21 ASN 16 -10.144 6.099 -6.368 115 HD22 ASN 16 HD22 ASN 16 -11.237 6.384 -7.655 116 H GLU 17 HN GLU 17 -7.282 1.873 -8.449 117 HA GLU 17 HA GLU 17 -9.417 1.114 -10.228 118 HB2 GLU 17 HB2 GLU 17 -7.678 0.076 -11.642 119 HB3 GLU 17 HB1 GLU 17 -7.288 1.738 -11.239 120 HG2 GLU 17 HG2 GLU 17 -5.751 0.903 -9.493 121 HG3 GLU 17 HG1 GLU 17 -6.109 -0.739 -10.010 122 H ILE 18 HN ILE 18 -7.598 -0.399 -7.706 123 HA ILE 18 HA ILE 18 -8.425 -3.090 -8.284 124 HB ILE 18 HB ILE 18 -7.396 -1.852 -5.714 125 HG12 ILE 18 HG12 ILE 18 -5.793 -1.732 -7.490 126 HG13 ILE 18 HG11 ILE 18 -5.259 -2.908 -6.293 127 HG21 ILE 18 HG21 ILE 18 -6.901 -4.132 -4.964 128 HG22 ILE 18 HG22 ILE 18 -7.716 -4.768 -6.395 129 HG23 ILE 18 HG23 ILE 18 -8.630 -3.862 -5.189 130 HD11 ILE 18 HD11 ILE 18 -4.818 -3.706 -8.550 131 HD12 ILE 18 HD12 ILE 18 -6.527 -3.532 -8.958 132 HD13 ILE 18 HD13 ILE 18 -6.022 -4.722 -7.759 133 H ALA 19 HN ALA 19 -9.414 -0.692 -5.856 134 HA ALA 19 HA ALA 19 -11.789 -2.331 -5.361 135 HB1 ALA 19 HB1 ALA 19 -11.848 -1.347 -3.137 136 HB2 ALA 19 HB2 ALA 19 -10.436 -0.367 -3.524 137 HB3 ALA 19 HB3 ALA 19 -10.292 -2.123 -3.441 138 H GLY 20 HN GLY 20 -10.714 1.028 -5.314 139 HA2 GLY 20 HA2 GLY 20 -11.963 2.648 -6.667 140 HA3 GLY 20 HA1 GLY 20 -13.417 1.740 -6.276 141 H ILE 21 HN ILE 21 -10.904 3.764 -4.949 142 HA ILE 21 HA ILE 21 -12.816 4.897 -3.102 143 HB ILE 21 HB ILE 21 -10.807 5.046 -1.427 144 HG12 ILE 21 HG12 ILE 21 -9.461 2.879 -1.370 145 HG13 ILE 21 HG11 ILE 21 -10.037 2.585 -3.001 146 HG21 ILE 21 HG21 ILE 21 -12.850 4.035 -0.825 147 HG22 ILE 21 HG22 ILE 21 -11.522 3.026 -0.251 148 HG23 ILE 21 HG23 ILE 21 -12.440 2.548 -1.684 149 HD11 ILE 21 HD11 ILE 21 -8.326 4.906 -2.129 150 HD12 ILE 21 HD12 ILE 21 -8.884 4.584 -3.775 151 HD13 ILE 21 HD13 ILE 21 -7.778 3.465 -2.989 152 HA PRO 22 HA PRO 22 -10.977 8.641 -4.573 153 HB2 PRO 22 HB2 PRO 22 -11.275 9.752 -1.850 154 HB3 PRO 22 HB1 PRO 22 -11.997 10.311 -3.361 155 HG2 PRO 22 HG2 PRO 22 -13.457 9.108 -1.470 156 HG3 PRO 22 HG1 PRO 22 -13.784 8.865 -3.195 157 HD2 PRO 22 HD2 PRO 22 -12.381 7.064 -1.262 158 HD3 PRO 22 HD1 PRO 22 -13.520 6.655 -2.563 159 H VAL 23 HN VAL 23 -8.948 9.439 -4.602 160 HA VAL 23 HA VAL 23 -6.995 8.049 -3.070 161 HB VAL 23 HB VAL 23 -5.294 9.376 -4.281 162 HG11 VAL 23 HG11 VAL 23 -7.497 8.233 -5.994 163 HG12 VAL 23 HG12 VAL 23 -6.196 7.323 -5.234 164 HG13 VAL 23 HG13 VAL 23 -5.826 8.487 -6.507 165 HG21 VAL 23 HG21 VAL 23 -6.021 10.917 -6.056 166 HG22 VAL 23 HG22 VAL 23 -6.504 11.487 -4.461 167 HG23 VAL 23 HG23 VAL 23 -7.694 10.733 -5.523 168 H GLU 24 HN GLU 24 -8.824 10.327 -1.993 169 HA GLU 24 HA GLU 24 -6.767 11.519 -0.271 170 HB2 GLU 24 HB2 GLU 24 -8.440 13.271 0.225 171 HB3 GLU 24 HB1 GLU 24 -8.033 13.200 -1.484 172 HG2 GLU 24 HG2 GLU 24 -10.099 12.055 -1.972 173 HG3 GLU 24 HG1 GLU 24 -10.483 11.955 -0.256 174 H ASP 25 HN ASP 25 -9.158 9.173 -0.424 175 HA ASP 25 HA ASP 25 -10.288 9.450 2.217 176 HB2 ASP 25 HB2 ASP 25 -11.584 8.373 0.406 177 HB3 ASP 25 HB1 ASP 25 -10.355 7.122 0.282 178 H VAL 26 HN VAL 26 -7.757 7.748 0.668 179 HA VAL 26 HA VAL 26 -7.138 6.023 2.884 180 HB VAL 26 HB VAL 26 -5.453 6.649 0.442 181 HG11 VAL 26 HG11 VAL 26 -5.480 4.271 2.297 182 HG12 VAL 26 HG12 VAL 26 -4.245 5.524 2.231 183 HG13 VAL 26 HG13 VAL 26 -4.476 4.439 0.859 184 HG21 VAL 26 HG21 VAL 26 -7.653 5.902 -0.275 185 HG22 VAL 26 HG22 VAL 26 -7.534 4.496 0.785 186 HG23 VAL 26 HG23 VAL 26 -6.442 4.661 -0.591 187 H LYS 27 HN LYS 27 -6.803 7.406 4.522 188 HA LYS 27 HA LYS 27 -4.517 9.204 4.350 189 HB2 LYS 27 HB2 LYS 27 -6.667 8.876 6.457 190 HB3 LYS 27 HB1 LYS 27 -5.309 9.986 6.601 191 HG2 LYS 27 HG2 LYS 27 -6.060 11.210 4.648 192 HG3 LYS 27 HG1 LYS 27 -7.381 10.067 4.416 193 HD2 LYS 27 HD2 LYS 27 -8.365 10.724 6.519 194 HD3 LYS 27 HD1 LYS 27 -7.000 11.788 6.858 195 HE2 LYS 27 HE2 LYS 27 -8.930 13.046 6.048 196 HE3 LYS 27 HE1 LYS 27 -7.575 13.162 4.931 197 HZ1 LYS 27 HZ1 LYS 27 -8.644 11.555 3.492 198 HZ2 LYS 27 HZ2 LYS 27 -9.709 12.800 3.806 199 HZ3 LYS 27 HZ3 LYS 27 -9.898 11.326 4.592 200 H LEU 28 HN LEU 28 -3.471 9.092 6.874 201 HA LEU 28 HA LEU 28 -1.820 6.846 6.515 202 HB2 LEU 28 HB2 LEU 28 -1.949 8.923 8.648 203 HB3 LEU 28 HB1 LEU 28 -0.927 7.519 8.865 204 HG LEU 28 HG LEU 28 0.413 9.304 8.054 205 HD11 LEU 28 HD11 LEU 28 0.964 7.129 7.237 206 HD12 LEU 28 HD12 LEU 28 1.305 8.341 6.001 207 HD13 LEU 28 HD13 LEU 28 -0.131 7.329 5.870 208 HD21 LEU 28 HD21 LEU 28 0.021 10.421 5.899 209 HD22 LEU 28 HD22 LEU 28 -1.307 10.709 7.024 210 HD23 LEU 28 HD23 LEU 28 -1.493 9.535 5.720 211 H ASP 29 HN ASP 29 -4.435 7.244 8.894 212 HA ASP 29 HA ASP 29 -3.642 4.576 9.721 213 HB2 ASP 29 HB2 ASP 29 -3.886 6.312 11.518 214 HB3 ASP 29 HB1 ASP 29 -5.614 6.340 11.183 215 H LYS 30 HN LYS 30 -4.419 4.138 7.597 216 HA LYS 30 HA LYS 30 -7.152 3.060 7.720 217 HB2 LYS 30 HB2 LYS 30 -5.733 4.248 5.307 218 HB3 LYS 30 HB1 LYS 30 -7.257 3.383 5.238 219 HG2 LYS 30 HG2 LYS 30 -6.949 5.839 6.916 220 HG3 LYS 30 HG1 LYS 30 -7.248 5.977 5.187 221 HD2 LYS 30 HD2 LYS 30 -9.026 4.496 7.149 222 HD3 LYS 30 HD1 LYS 30 -9.325 6.134 6.562 223 HE2 LYS 30 HE2 LYS 30 -9.391 5.228 4.241 224 HE3 LYS 30 HE1 LYS 30 -9.217 3.608 4.907 225 HZ1 LYS 30 HZ1 LYS 30 -11.374 4.031 6.123 226 HZ2 LYS 30 HZ2 LYS 30 -11.501 4.009 4.442 227 HZ3 LYS 30 HZ3 LYS 30 -11.515 5.466 5.248 228 H SER 31 HN SER 31 -6.999 0.872 7.632 229 HA SER 31 HA SER 31 -4.597 -0.365 6.568 230 HB2 SER 31 HB2 SER 31 -5.581 -2.401 7.605 231 HB3 SER 31 HB1 SER 31 -5.288 -1.082 8.749 232 HG SER 31 HG SER 31 -7.435 -0.678 8.863 233 H PHE 32 HN PHE 32 -4.856 -2.221 5.144 234 HA PHE 32 HA PHE 32 -6.437 -1.487 2.852 235 HB2 PHE 32 HB2 PHE 32 -4.573 -3.792 3.389 236 HB3 PHE 32 HB1 PHE 32 -5.260 -3.380 1.823 237 HD1 PHE 32 HD2 PHE 32 -4.469 -1.430 0.596 238 HD2 PHE 32 HD1 PHE 32 -2.793 -2.478 4.366 239 HE1 PHE 32 HE2 PHE 32 -2.554 0.051 0.156 240 HE2 PHE 32 HE1 PHE 32 -0.880 -0.999 3.929 241 HZ PHE 32 HZ PHE 32 -0.760 0.268 1.821 242 H THR 33 HN THR 33 -7.976 -2.412 5.201 243 HA THR 33 HA THR 33 -9.712 -4.065 3.792 244 HB THR 33 HB THR 33 -8.194 -5.845 4.235 245 HG1 THR 33 HG1 THR 33 -9.473 -7.302 5.191 246 HG21 THR 33 HG21 THR 33 -7.441 -6.549 6.459 247 HG22 THR 33 HG22 THR 33 -8.279 -5.179 7.187 248 HG23 THR 33 HG23 THR 33 -6.918 -4.908 6.090 249 H ASP 34 HN ASP 34 -8.839 -3.331 7.223 250 HA ASP 34 HA ASP 34 -11.581 -3.452 8.002 251 HB2 ASP 34 HB2 ASP 34 -9.758 -4.043 9.556 252 HB3 ASP 34 HB1 ASP 34 -9.215 -2.369 9.543 253 H ASP 35 HN ASP 35 -9.299 -0.887 7.416 254 HA ASP 35 HA ASP 35 -11.368 1.127 7.914 255 HB2 ASP 35 HB2 ASP 35 -8.558 1.538 6.918 256 HB3 ASP 35 HB1 ASP 35 -9.660 2.798 7.387 257 H LEU 36 HN LEU 36 -9.347 -0.004 5.243 258 HA LEU 36 HA LEU 36 -10.536 1.783 3.403 259 HB2 LEU 36 HB2 LEU 36 -8.653 -0.526 3.130 260 HB3 LEU 36 HB1 LEU 36 -9.326 0.261 1.722 261 HG LEU 36 HG LEU 36 -7.629 1.594 3.827 262 HD11 LEU 36 HD11 LEU 36 -7.060 0.861 0.954 263 HD12 LEU 36 HD12 LEU 36 -6.321 0.119 2.378 264 HD13 LEU 36 HD13 LEU 36 -6.006 1.806 1.997 265 HD21 LEU 36 HD21 LEU 36 -9.316 3.028 2.935 266 HD22 LEU 36 HD22 LEU 36 -8.850 2.578 1.295 267 HD23 LEU 36 HD23 LEU 36 -7.722 3.503 2.315 268 H ASP 37 HN ASP 37 -11.660 1.179 1.532 269 HA ASP 37 HA ASP 37 -13.670 -0.850 2.107 270 HB2 ASP 37 HB2 ASP 37 -14.518 1.402 1.418 271 HB3 ASP 37 HB1 ASP 37 -13.653 1.241 -0.106 272 H VAL 38 HN VAL 38 -11.904 -2.182 1.863 273 HA VAL 38 HA VAL 38 -11.651 -3.234 -0.867 274 HB VAL 38 HB VAL 38 -9.386 -3.120 1.163 275 HG11 VAL 38 HG11 VAL 38 -9.252 -5.047 -0.283 276 HG12 VAL 38 HG12 VAL 38 -7.965 -3.907 -0.676 277 HG13 VAL 38 HG13 VAL 38 -9.389 -4.021 -1.712 278 HG21 VAL 38 HG21 VAL 38 -9.773 -0.871 0.299 279 HG22 VAL 38 HG22 VAL 38 -9.694 -1.477 -1.354 280 HG23 VAL 38 HG23 VAL 38 -8.260 -1.522 -0.332 281 H ASP 39 HN ASP 39 -12.261 -5.289 -0.824 282 HA ASP 39 HA ASP 39 -13.009 -7.002 1.179 283 HB2 ASP 39 HB2 ASP 39 -13.163 -7.729 -1.097 284 HB3 ASP 39 HB1 ASP 39 -11.439 -7.532 -1.353 285 H SER 40 HN SER 40 -9.889 -7.443 -0.176 286 HA SER 40 HA SER 40 -8.063 -6.406 1.359 287 HB2 SER 40 HB2 SER 40 -7.333 -7.939 3.077 288 HB3 SER 40 HB1 SER 40 -8.980 -7.394 3.391 289 H LEU 41 HN LEU 41 -8.976 -9.645 0.339 290 HA LEU 41 HA LEU 41 -6.341 -10.439 -0.182 291 HB2 LEU 41 HB2 LEU 41 -8.922 -11.529 -1.328 292 HB3 LEU 41 HB1 LEU 41 -7.364 -12.218 -1.710 293 HG LEU 41 HG LEU 41 -7.102 -12.629 0.803 294 HD11 LEU 41 HD11 LEU 41 -10.057 -12.100 0.769 295 HD12 LEU 41 HD12 LEU 41 -8.827 -11.200 1.664 296 HD13 LEU 41 HD13 LEU 41 -9.168 -12.880 2.075 297 HD21 LEU 41 HD21 LEU 41 -7.515 -14.409 -0.789 298 HD22 LEU 41 HD22 LEU 41 -9.249 -14.098 -0.711 299 HD23 LEU 41 HD23 LEU 41 -8.399 -14.700 0.710 300 H SER 42 HN SER 42 -8.534 -8.531 -1.863 301 HA SER 42 HA SER 42 -7.522 -8.570 -4.482 302 HB2 SER 42 HB2 SER 42 -8.882 -6.327 -3.010 303 HB3 SER 42 HB1 SER 42 -8.887 -6.608 -4.762 304 HG SER 42 HG SER 42 -10.743 -7.579 -4.204 305 H MET 43 HN MET 43 -6.266 -7.148 -1.528 306 HA MET 43 HA MET 43 -4.933 -4.921 -2.603 307 HB2 MET 43 HB2 MET 43 -5.515 -5.329 -0.187 308 HB3 MET 43 HB1 MET 43 -4.233 -6.516 -0.128 309 HG2 MET 43 HG2 MET 43 -3.811 -3.601 -0.744 310 HG3 MET 43 HG1 MET 43 -3.729 -4.272 0.873 311 HE1 MET 43 HE1 MET 43 -0.587 -6.668 0.444 312 HE2 MET 43 HE2 MET 43 -2.229 -7.132 0.012 313 HE3 MET 43 HE3 MET 43 -1.930 -6.216 1.491 314 H VAL 44 HN VAL 44 -4.233 -8.263 -2.552 315 HA VAL 44 HA VAL 44 -1.448 -8.255 -2.814 316 HB VAL 44 HB VAL 44 -3.371 -10.211 -4.124 317 HG11 VAL 44 HG11 VAL 44 -0.470 -10.548 -3.363 318 HG12 VAL 44 HG12 VAL 44 -1.105 -10.403 -5.004 319 HG13 VAL 44 HG13 VAL 44 -1.521 -11.805 -4.020 320 HG21 VAL 44 HG21 VAL 44 -3.053 -11.577 -2.091 321 HG22 VAL 44 HG22 VAL 44 -3.812 -10.026 -1.750 322 HG23 VAL 44 HG23 VAL 44 -2.109 -10.264 -1.377 323 H GLU 45 HN GLU 45 -3.938 -7.643 -5.220 324 HA GLU 45 HA GLU 45 -2.125 -7.547 -7.401 325 HB2 GLU 45 HB2 GLU 45 -4.936 -6.483 -7.145 326 HB3 GLU 45 HB1 GLU 45 -4.010 -6.475 -8.641 327 HG2 GLU 45 HG2 GLU 45 -3.858 -8.918 -8.543 328 HG3 GLU 45 HG1 GLU 45 -4.823 -8.907 -7.072 329 H VAL 46 HN VAL 46 -3.120 -5.154 -5.014 330 HA VAL 46 HA VAL 46 -1.985 -3.061 -6.631 331 HB VAL 46 HB VAL 46 -3.933 -2.428 -5.264 332 HG11 VAL 46 HG11 VAL 46 -2.221 -2.833 -2.848 333 HG12 VAL 46 HG12 VAL 46 -3.523 -3.887 -3.376 334 HG13 VAL 46 HG13 VAL 46 -3.882 -2.222 -2.887 335 HG21 VAL 46 HG21 VAL 46 -3.071 -0.379 -4.226 336 HG22 VAL 46 HG22 VAL 46 -2.376 -0.666 -5.820 337 HG23 VAL 46 HG23 VAL 46 -1.432 -1.015 -4.372 338 H VAL 47 HN VAL 47 -1.005 -4.968 -3.848 339 HA VAL 47 HA VAL 47 1.263 -3.409 -3.283 340 HB VAL 47 HB VAL 47 0.428 -5.055 -1.644 341 HG11 VAL 47 HG11 VAL 47 1.558 -7.181 -3.443 342 HG12 VAL 47 HG12 VAL 47 -0.144 -6.903 -3.084 343 HG13 VAL 47 HG13 VAL 47 0.952 -7.427 -1.805 344 HG21 VAL 47 HG21 VAL 47 3.304 -5.522 -2.414 345 HG22 VAL 47 HG22 VAL 47 2.585 -5.915 -0.849 346 HG23 VAL 47 HG23 VAL 47 2.685 -4.237 -1.376 347 H VAL 48 HN VAL 48 0.910 -6.131 -5.517 348 HA VAL 48 HA VAL 48 3.679 -6.181 -6.168 349 HB VAL 48 HB VAL 48 2.165 -8.139 -6.505 350 HG11 VAL 48 HG11 VAL 48 0.203 -7.069 -7.358 351 HG12 VAL 48 HG12 VAL 48 0.753 -8.292 -8.503 352 HG13 VAL 48 HG13 VAL 48 1.054 -6.586 -8.824 353 HG21 VAL 48 HG21 VAL 48 3.611 -7.248 -8.999 354 HG22 VAL 48 HG22 VAL 48 3.099 -8.899 -8.652 355 HG23 VAL 48 HG23 VAL 48 4.311 -8.119 -7.635 356 H ALA 49 HN ALA 49 1.081 -4.228 -7.143 357 HA ALA 49 HA ALA 49 2.369 -3.267 -9.552 358 HB1 ALA 49 HB1 ALA 49 0.443 -1.767 -9.737 359 HB2 ALA 49 HB2 ALA 49 -0.114 -2.282 -8.143 360 HB3 ALA 49 HB3 ALA 49 -0.074 -3.433 -9.477 361 H ALA 50 HN ALA 50 2.008 -2.398 -6.215 362 HA ALA 50 HA ALA 50 2.831 0.282 -6.459 363 HB1 ALA 50 HB1 ALA 50 3.062 0.244 -4.032 364 HB2 ALA 50 HB2 ALA 50 2.959 -1.517 -4.038 365 HB3 ALA 50 HB3 ALA 50 1.565 -0.550 -4.525 366 H GLU 51 HN GLU 51 4.541 -2.708 -6.318 367 HA GLU 51 HA GLU 51 7.016 -1.855 -5.390 368 HB2 GLU 51 HB2 GLU 51 6.533 -3.943 -7.515 369 HB3 GLU 51 HB1 GLU 51 7.984 -3.782 -6.530 370 HG2 GLU 51 HG2 GLU 51 6.560 -4.182 -4.524 371 HG3 GLU 51 HG1 GLU 51 5.226 -4.532 -5.615 372 H GLU 52 HN GLU 52 5.779 -1.871 -8.714 373 HA GLU 52 HA GLU 52 8.149 -0.646 -9.761 374 HB2 GLU 52 HB2 GLU 52 6.897 -0.384 -11.851 375 HB3 GLU 52 HB1 GLU 52 6.686 -2.009 -11.216 376 HG2 GLU 52 HG2 GLU 52 4.507 -1.512 -10.447 377 HG3 GLU 52 HG1 GLU 52 4.690 0.202 -10.772 378 H ARG 53 HN ARG 53 5.080 0.477 -8.549 379 HA ARG 53 HA ARG 53 5.242 3.059 -9.677 380 HB2 ARG 53 HB2 ARG 53 3.482 2.068 -7.441 381 HB3 ARG 53 HB1 ARG 53 3.330 3.642 -8.205 382 HG2 ARG 53 HG2 ARG 53 2.991 0.971 -9.551 383 HG3 ARG 53 HG1 ARG 53 1.701 2.081 -9.090 384 HD2 ARG 53 HD2 ARG 53 3.896 2.672 -11.078 385 HD3 ARG 53 HD1 ARG 53 2.251 2.197 -11.492 386 HE ARG 53 HE ARG 53 2.024 4.426 -9.871 387 HH11 ARG 53 HH11 ARG 53 3.653 3.759 -12.958 388 HH12 ARG 53 HH12 ARG 53 3.285 5.277 -13.631 389 HH21 ARG 53 HH21 ARG 53 1.589 6.484 -10.743 390 HH22 ARG 53 HH22 ARG 53 2.099 6.922 -12.303 391 H PHE 54 HN PHE 54 6.469 1.725 -6.727 392 HA PHE 54 HA PHE 54 7.144 4.451 -5.903 393 HB2 PHE 54 HB2 PHE 54 6.770 2.008 -4.190 394 HB3 PHE 54 HB1 PHE 54 7.375 3.553 -3.593 395 HD1 PHE 54 HD2 PHE 54 5.915 5.599 -4.029 396 HD2 PHE 54 HD1 PHE 54 4.527 1.601 -4.278 397 HE1 PHE 54 HE2 PHE 54 3.624 6.380 -3.707 398 HE2 PHE 54 HE1 PHE 54 2.227 2.376 -3.961 399 HZ PHE 54 HZ PHE 54 1.771 4.788 -3.796 400 H ASP 55 HN ASP 55 8.546 2.146 -7.551 401 HA ASP 55 HA ASP 55 10.687 1.481 -7.987 402 HB2 ASP 55 HB2 ASP 55 11.234 3.974 -6.365 403 HB3 ASP 55 HB1 ASP 55 12.543 3.019 -7.047 404 H VAL 56 HN VAL 56 9.433 0.068 -6.029 405 HA VAL 56 HA VAL 56 11.602 -0.506 -4.149 406 HB VAL 56 HB VAL 56 9.916 -1.146 -2.416 407 HG11 VAL 56 HG11 VAL 56 9.750 1.714 -3.309 408 HG12 VAL 56 HG12 VAL 56 10.979 1.009 -2.260 409 HG13 VAL 56 HG13 VAL 56 9.303 1.107 -1.715 410 HG21 VAL 56 HG21 VAL 56 7.936 0.167 -4.279 411 HG22 VAL 56 HG22 VAL 56 7.607 -0.318 -2.616 412 HG23 VAL 56 HG23 VAL 56 7.983 -1.540 -3.831 413 H LYS 57 HN LYS 57 10.751 -2.692 -2.966 414 HA LYS 57 HA LYS 57 9.410 -4.525 -4.687 415 HB2 LYS 57 HB2 LYS 57 11.972 -4.507 -5.271 416 HB3 LYS 57 HB1 LYS 57 12.183 -5.247 -3.690 417 HG2 LYS 57 HG2 LYS 57 12.133 -6.907 -5.486 418 HG3 LYS 57 HG1 LYS 57 10.777 -7.125 -4.368 419 HD2 LYS 57 HD2 LYS 57 9.321 -5.891 -5.901 420 HD3 LYS 57 HD1 LYS 57 10.670 -5.677 -7.012 421 HE2 LYS 57 HE2 LYS 57 10.777 -8.058 -7.391 422 HE3 LYS 57 HE1 LYS 57 9.527 -8.337 -6.173 423 HZ1 LYS 57 HZ1 LYS 57 8.639 -8.325 -8.507 424 HZ2 LYS 57 HZ2 LYS 57 9.112 -6.704 -8.618 425 HZ3 LYS 57 HZ3 LYS 57 7.958 -7.164 -7.487 426 H ILE 58 HN ILE 58 8.203 -5.768 -3.280 427 HA ILE 58 HA ILE 58 8.885 -5.421 -0.434 428 HB ILE 58 HB ILE 58 6.100 -5.416 -1.648 429 HG12 ILE 58 HG12 ILE 58 7.663 -3.108 -0.456 430 HG13 ILE 58 HG11 ILE 58 7.475 -3.388 -2.180 431 HG21 ILE 58 HG21 ILE 58 5.377 -4.735 0.606 432 HG22 ILE 58 HG22 ILE 58 7.040 -4.887 1.182 433 HG23 ILE 58 HG23 ILE 58 6.162 -6.315 0.636 434 HD11 ILE 58 HD11 ILE 58 5.957 -1.677 -1.368 435 HD12 ILE 58 HD12 ILE 58 5.246 -2.830 -0.236 436 HD13 ILE 58 HD13 ILE 58 5.073 -3.077 -1.974 437 HA PRO 59 HA PRO 59 8.835 -9.924 -0.642 438 HB2 PRO 59 HB2 PRO 59 9.191 -9.622 2.279 439 HB3 PRO 59 HB1 PRO 59 10.208 -10.467 1.106 440 HG2 PRO 59 HG2 PRO 59 10.986 -8.170 2.205 441 HG3 PRO 59 HG1 PRO 59 11.345 -8.553 0.510 442 HD2 PRO 59 HD2 PRO 59 9.222 -6.783 1.648 443 HD3 PRO 59 HD1 PRO 59 10.271 -6.516 0.240 444 H ASP 60 HN ASP 60 7.202 -11.299 -0.384 445 HA ASP 60 HA ASP 60 4.641 -10.412 0.295 446 HB2 ASP 60 HB2 ASP 60 5.021 -12.222 -1.284 447 HB3 ASP 60 HB1 ASP 60 5.625 -13.249 0.014 448 H ASP 61 HN ASP 61 6.994 -12.104 2.236 449 HA ASP 61 HA ASP 61 5.267 -12.869 4.361 450 HB2 ASP 61 HB2 ASP 61 7.194 -13.370 5.650 451 HB3 ASP 61 HB1 ASP 61 7.698 -13.663 3.995 452 H ASP 62 HN ASP 62 6.834 -9.887 3.519 453 HA ASP 62 HA ASP 62 6.449 -8.784 6.162 454 HB2 ASP 62 HB2 ASP 62 8.455 -8.283 4.567 455 HB3 ASP 62 HB1 ASP 62 7.345 -7.175 3.771 456 H VAL 63 HN VAL 63 5.062 -8.705 3.017 457 HA VAL 63 HA VAL 63 3.236 -6.626 3.132 458 HB VAL 63 HB VAL 63 2.804 -9.403 1.968 459 HG11 VAL 63 HG11 VAL 63 1.367 -6.821 1.359 460 HG12 VAL 63 HG12 VAL 63 0.694 -8.205 2.216 461 HG13 VAL 63 HG13 VAL 63 1.135 -8.352 0.514 462 HG21 VAL 63 HG21 VAL 63 3.813 -6.874 0.675 463 HG22 VAL 63 HG22 VAL 63 3.467 -8.389 -0.161 464 HG23 VAL 63 HG23 VAL 63 4.763 -8.317 1.032 465 H LYS 64 HN LYS 64 2.597 -10.025 4.028 466 HA LYS 64 HA LYS 64 0.088 -9.468 5.243 467 HB2 LYS 64 HB2 LYS 64 1.877 -11.862 5.582 468 HB3 LYS 64 HB1 LYS 64 0.244 -11.745 6.213 469 HG2 LYS 64 HG2 LYS 64 -0.545 -11.465 3.860 470 HG3 LYS 64 HG1 LYS 64 1.109 -11.822 3.339 471 HD2 LYS 64 HD2 LYS 64 1.015 -13.951 4.570 472 HD3 LYS 64 HD1 LYS 64 -0.647 -13.599 5.027 473 HE2 LYS 64 HE2 LYS 64 -0.630 -15.132 3.174 474 HE3 LYS 64 HE1 LYS 64 -1.258 -13.574 2.639 475 HZ1 LYS 64 HZ1 LYS 64 0.829 -13.078 1.619 476 HZ2 LYS 64 HZ2 LYS 64 0.316 -14.605 1.088 477 HZ3 LYS 64 HZ3 LYS 64 1.538 -14.477 2.259 478 H ASN 65 HN ASN 65 3.130 -8.759 6.393 479 HA ASN 65 HA ASN 65 2.485 -9.261 9.172 480 HB2 ASN 65 HB2 ASN 65 4.754 -9.720 8.548 481 HB3 ASN 65 HB1 ASN 65 4.942 -8.122 7.837 482 HD21 ASN 65 HD21 ASN 65 4.643 -9.897 10.810 483 HD22 ASN 65 HD22 ASN 65 5.307 -8.681 11.846 484 H LEU 66 HN LEU 66 2.332 -6.701 6.883 485 HA LEU 66 HA LEU 66 2.379 -4.617 8.879 486 HB2 LEU 66 HB2 LEU 66 1.755 -4.485 5.943 487 HB3 LEU 66 HB1 LEU 66 2.016 -3.117 7.006 488 HG LEU 66 HG LEU 66 4.080 -5.170 6.222 489 HD11 LEU 66 HD11 LEU 66 5.099 -3.283 5.059 490 HD12 LEU 66 HD12 LEU 66 3.714 -2.302 5.581 491 HD13 LEU 66 HD13 LEU 66 3.462 -3.645 4.461 492 HD21 LEU 66 HD21 LEU 66 4.449 -4.363 8.503 493 HD22 LEU 66 HD22 LEU 66 4.346 -2.694 7.931 494 HD23 LEU 66 HD23 LEU 66 5.670 -3.728 7.400 495 H LYS 67 HN LYS 67 0.482 -2.886 8.473 496 HA LYS 67 HA LYS 67 -2.035 -4.372 8.453 497 HB2 LYS 67 HB2 LYS 67 -1.226 -2.423 10.611 498 HB3 LYS 67 HB1 LYS 67 -2.789 -3.220 10.483 499 HG2 LYS 67 HG2 LYS 67 -1.705 -5.379 10.757 500 HG3 LYS 67 HG1 LYS 67 -0.146 -4.560 10.855 501 HD2 LYS 67 HD2 LYS 67 -0.838 -3.420 12.890 502 HD3 LYS 67 HD1 LYS 67 -2.452 -4.129 12.766 503 HE2 LYS 67 HE2 LYS 67 -1.518 -6.348 13.058 504 HE3 LYS 67 HE1 LYS 67 0.111 -5.679 13.106 505 HZ1 LYS 67 HZ1 LYS 67 -2.040 -5.106 15.082 506 HZ2 LYS 67 HZ2 LYS 67 -0.474 -4.499 15.128 507 HZ3 LYS 67 HZ3 LYS 67 -0.745 -6.152 15.327 508 H THR 68 HN THR 68 -1.051 -1.018 9.169 509 HA THR 68 HA THR 68 -3.193 -0.158 7.409 510 HB THR 68 HB THR 68 -2.892 2.077 8.437 511 HG1 THR 68 HG1 THR 68 -0.866 0.722 9.953 512 HG21 THR 68 HG21 THR 68 -4.497 0.539 9.446 513 HG22 THR 68 HG22 THR 68 -3.705 1.499 10.699 514 HG23 THR 68 HG23 THR 68 -3.220 -0.174 10.430 515 H VAL 69 HN VAL 69 -2.605 2.085 6.340 516 HA VAL 69 HA VAL 69 -0.373 1.577 4.669 517 HB VAL 69 HB VAL 69 -0.859 3.737 3.587 518 HG11 VAL 69 HG11 VAL 69 -3.138 3.239 2.801 519 HG12 VAL 69 HG12 VAL 69 -3.354 2.143 4.164 520 HG13 VAL 69 HG13 VAL 69 -2.166 1.766 2.923 521 HG21 VAL 69 HG21 VAL 69 -2.930 4.055 5.728 522 HG22 VAL 69 HG22 VAL 69 -2.734 5.095 4.314 523 HG23 VAL 69 HG23 VAL 69 -1.460 5.010 5.534 524 H GLY 70 HN GLY 70 -0.822 3.137 7.654 525 HA2 GLY 70 HA2 GLY 70 1.450 4.808 7.629 526 HA3 GLY 70 HA1 GLY 70 0.636 4.175 9.063 527 H ASP 71 HN ASP 71 0.882 1.427 8.284 528 HA ASP 71 HA ASP 71 3.557 0.918 9.245 529 HB2 ASP 71 HB2 ASP 71 1.494 -1.052 8.200 530 HB3 ASP 71 HB1 ASP 71 2.957 -1.471 9.074 531 H ALA 72 HN ALA 72 1.811 0.738 6.258 532 HA ALA 72 HA ALA 72 3.667 -0.749 4.720 533 HB1 ALA 72 HB1 ALA 72 2.366 -0.011 2.808 534 HB2 ALA 72 HB2 ALA 72 1.551 1.191 3.806 535 HB3 ALA 72 HB3 ALA 72 1.307 -0.528 4.119 536 H THR 73 HN THR 73 3.074 2.696 5.069 537 HA THR 73 HA THR 73 4.823 3.552 3.141 538 HB THR 73 HB THR 73 4.858 5.697 4.524 539 HG1 THR 73 HG1 THR 73 2.703 4.564 5.895 540 HG21 THR 73 HG21 THR 73 3.364 5.338 2.629 541 HG22 THR 73 HG22 THR 73 2.540 6.219 3.916 542 HG23 THR 73 HG23 THR 73 2.225 4.502 3.682 543 H LYS 74 HN LYS 74 5.385 2.812 6.543 544 HA LYS 74 HA LYS 74 7.944 3.912 6.790 545 HB2 LYS 74 HB2 LYS 74 6.498 3.168 8.695 546 HB3 LYS 74 HB1 LYS 74 6.848 1.503 8.261 547 HG2 LYS 74 HG2 LYS 74 9.222 1.871 8.736 548 HG3 LYS 74 HG1 LYS 74 8.878 3.547 9.162 549 HD2 LYS 74 HD2 LYS 74 7.402 2.765 10.974 550 HD3 LYS 74 HD1 LYS 74 7.783 1.100 10.550 551 HE2 LYS 74 HE2 LYS 74 9.723 3.187 11.563 552 HE3 LYS 74 HE1 LYS 74 9.097 1.814 12.471 553 HZ1 LYS 74 HZ1 LYS 74 10.165 0.392 10.690 554 HZ2 LYS 74 HZ2 LYS 74 11.211 1.146 11.732 555 HZ3 LYS 74 HZ3 LYS 74 11.004 1.781 10.191 556 H TYR 75 HN TYR 75 6.879 0.788 5.545 557 HA TYR 75 HA TYR 75 9.564 -0.177 5.252 558 HB2 TYR 75 HB2 TYR 75 7.682 -1.804 5.441 559 HB3 TYR 75 HB1 TYR 75 7.023 -1.207 3.917 560 HD1 TYR 75 HD1 TYR 75 9.692 -3.176 5.461 561 HD2 TYR 75 HD2 TYR 75 8.105 -1.751 1.785 562 HE1 TYR 75 HE1 TYR 75 11.208 -4.661 4.234 563 HE2 TYR 75 HE2 TYR 75 9.616 -3.235 0.555 564 HH TYR 75 HH TYR 75 11.516 -5.653 2.064 565 H ILE 76 HN ILE 76 7.131 1.159 3.112 566 HA ILE 76 HA ILE 76 8.496 0.900 0.688 567 HB ILE 76 HB ILE 76 6.458 3.002 1.450 568 HG12 ILE 76 HG12 ILE 76 6.117 0.357 0.023 569 HG13 ILE 76 HG11 ILE 76 5.769 0.622 1.728 570 HG21 ILE 76 HG21 ILE 76 7.720 3.621 -0.567 571 HG22 ILE 76 HG22 ILE 76 6.065 3.173 -0.978 572 HG23 ILE 76 HG23 ILE 76 7.382 2.040 -1.270 573 HD11 ILE 76 HD11 ILE 76 4.452 1.983 -0.589 574 HD12 ILE 76 HD12 ILE 76 4.133 2.278 1.124 575 HD13 ILE 76 HD13 ILE 76 3.754 0.697 0.415 576 H LEU 77 HN LEU 77 8.292 3.840 2.727 577 HA LEU 77 HA LEU 77 10.089 5.212 1.047 578 HB2 LEU 77 HB2 LEU 77 10.268 6.946 2.841 579 HB3 LEU 77 HB1 LEU 77 8.657 6.623 2.259 580 HG LEU 77 HG LEU 77 8.311 5.248 4.359 581 HD11 LEU 77 HD11 LEU 77 9.739 5.722 6.272 582 HD12 LEU 77 HD12 LEU 77 10.844 6.620 5.229 583 HD13 LEU 77 HD13 LEU 77 10.624 4.888 4.994 584 HD21 LEU 77 HD21 LEU 77 7.871 7.229 5.712 585 HD22 LEU 77 HD22 LEU 77 7.398 7.439 4.017 586 HD23 LEU 77 HD23 LEU 77 8.879 8.181 4.614 587 H ASP 78 HN ASP 78 10.637 2.954 3.402 588 HA ASP 78 HA ASP 78 13.329 3.691 4.057 589 HB2 ASP 78 HB2 ASP 78 12.067 2.301 5.584 590 HB3 ASP 78 HB1 ASP 78 11.828 1.083 4.341 591 H HIS 79 HN HIS 79 11.842 1.446 1.777 592 HA HIS 79 HA HIS 79 14.491 0.949 0.616 593 HB2 HIS 79 HB2 HIS 79 12.002 -0.725 0.544 594 HB3 HIS 79 HB1 HIS 79 13.280 -0.962 -0.641 595 HD1 HIS 79 HD1 HIS 79 12.637 -3.271 1.331 596 HD2 HIS 79 HD2 HIS 79 15.501 -0.321 2.028 597 HE1 HIS 79 HE1 HIS 79 14.226 -4.243 2.950 598 HE2 HIS 79 HE2 HIS 79 15.625 -2.282 3.653 599 H GLN 80 HN GLN 80 12.268 3.112 -0.012 600 HA GLN 80 HA GLN 80 11.641 2.744 -2.745 601 HB2 GLN 80 HB2 GLN 80 10.885 5.050 -2.773 602 HB3 GLN 80 HB1 GLN 80 10.347 4.256 -1.299 603 HG2 GLN 80 HG2 GLN 80 12.109 5.346 -0.047 604 HG3 GLN 80 HG1 GLN 80 12.713 6.096 -1.517 605 HE21 GLN 80 HE21 GLN 80 9.293 5.769 -0.702 606 HE22 GLN 80 HE22 GLN 80 9.069 7.480 -0.498 607 H ALA 81 HN ALA 81 12.596 3.235 -4.554 608 HA ALA 81 HA ALA 81 14.194 3.642 -6.067 609 HB1 ALA 81 HB1 ALA 81 13.155 5.855 -5.810 610 HB2 ALA 81 HB2 ALA 81 14.854 5.971 -6.272 611 HB3 ALA 81 HB3 ALA 81 14.374 6.276 -4.606 612 H28 SXO 101 H28B SXO 101 -6.625 -10.300 5.052 613 H28A SXO 101 H28A SXO 101 -6.547 -11.076 3.461 614 H30 SXO 101 H30A SXO 101 -6.769 -13.210 7.086 615 H30A SXO 101 H30C SXO 101 -6.698 -11.441 6.922 616 H30B SXO 101 H30B SXO 101 -8.140 -12.306 6.377 617 H31 SXO 101 H31A SXO 101 -6.591 -13.593 3.370 618 H31A SXO 101 H31B SXO 101 -8.054 -13.601 4.359 619 H31B SXO 101 H31C SXO 101 -6.637 -14.538 4.866 620 H32 SXO 101 H32A SXO 101 -4.578 -11.647 5.891 621 HO33 SXO 101 H33A SXO 101 -3.968 -14.127 5.427 622 HN36 SXO 101 H36A SXO 101 -4.618 -10.745 3.564 623 H37 SXO 101 H37A SXO 101 -2.548 -12.174 2.082 624 H37A SXO 101 H37B SXO 101 -3.961 -11.541 1.220 625 H38 SXO 101 H38B SXO 101 -2.011 -9.999 1.120 626 H38A SXO 101 H38A SXO 101 -2.028 -9.907 2.886 627 HN41 SXO 101 H41A SXO 101 -3.617 -8.848 3.955 628 H42 SXO 101 H42A SXO 101 -4.758 -6.552 2.715 629 H42A SXO 101 H42B SXO 101 -5.931 -7.781 3.039 630 H43 SXO 101 H43B SXO 101 -6.109 -6.566 4.847 631 H43A SXO 101 H43A SXO 101 -5.104 -7.869 5.441 632 H2 SXO 101 H2A SXO 101 -0.406 -6.566 5.365 633 H2A SXO 101 H2B SXO 101 -1.283 -5.127 5.917 634 H3 SXO 101 H3B SXO 101 -1.046 -6.129 3.103 635 H3A SXO 101 H3A SXO 101 -1.953 -4.697 3.604 636 H4 SXO 101 H4A SXO 101 1.024 -5.132 3.891 637 H4A SXO 101 H4B SXO 101 0.139 -3.691 4.408 638 H5 SXO 101 H5B SXO 101 0.303 -4.748 1.591 639 H5A SXO 101 H5A SXO 101 -0.580 -3.316 2.109 640 H6 SXO 101 H6A SXO 101 2.397 -3.731 2.260 641 H6A SXO 101 H6B SXO 101 1.530 -2.301 2.837 642 H7 SXO 101 H7A SXO 101 0.707 -1.890 0.560 643 H7A SXO 101 H7B SXO 101 1.582 -3.326 -0.006 644 H8 SXO 101 H8C SXO 101 2.835 -1.285 -0.454 645 H8A SXO 101 H8A SXO 101 3.676 -2.306 0.710 646 H8B SXO 101 H8B SXO 101 2.795 -0.877 1.260 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 8.999 6.634 -5.975 2 H2 ALA 1 HT2 ALA 1 10.444 5.859 -6.382 3 H3 ALA 1 HT3 ALA 1 10.229 7.511 -6.652 4 HA ALA 1 HA ALA 1 10.196 6.275 -3.969 5 HB1 ALA 1 HB1 ALA 1 12.469 6.369 -4.893 6 HB2 ALA 1 HB2 ALA 1 12.273 7.530 -3.572 7 HB3 ALA 1 HB3 ALA 1 12.258 8.087 -5.243 8 H ALA 2 HN ALA 2 8.919 7.409 -2.635 9 HA ALA 2 HA ALA 2 8.578 10.252 -3.055 10 HB1 ALA 2 HB1 ALA 2 6.773 9.145 -4.307 11 HB2 ALA 2 HB2 ALA 2 6.161 10.054 -2.928 12 HB3 ALA 2 HB3 ALA 2 6.286 8.295 -2.836 13 H THR 3 HN THR 3 7.237 11.096 -1.105 14 HA THR 3 HA THR 3 8.301 9.711 1.210 15 HB THR 3 HB THR 3 7.136 12.529 1.221 16 HG1 THR 3 HG1 THR 3 9.771 11.619 0.684 17 HG21 THR 3 HG21 THR 3 9.126 11.085 2.979 18 HG22 THR 3 HG22 THR 3 7.550 11.763 3.480 19 HG23 THR 3 HG23 THR 3 8.876 12.819 3.034 20 H GLN 4 HN GLN 4 6.751 10.200 3.298 21 HA GLN 4 HA GLN 4 5.022 8.199 3.403 22 HB2 GLN 4 HB2 GLN 4 5.784 9.434 5.320 23 HB3 GLN 4 HB1 GLN 4 4.751 10.789 4.881 24 HG2 GLN 4 HG2 GLN 4 2.785 9.352 5.181 25 HG3 GLN 4 HG1 GLN 4 3.846 8.044 5.696 26 HE21 GLN 4 HE21 GLN 4 2.957 7.930 7.673 27 HE22 GLN 4 HE22 GLN 4 3.180 9.098 8.921 28 H GLU 5 HN GLU 5 3.711 11.565 2.822 29 HA GLU 5 HA GLU 5 1.158 10.343 2.562 30 HB2 GLU 5 HB2 GLU 5 0.246 12.537 2.125 31 HB3 GLU 5 HB1 GLU 5 1.311 12.585 3.517 32 HG2 GLU 5 HG2 GLU 5 3.039 13.589 2.177 33 HG3 GLU 5 HG1 GLU 5 2.019 13.480 0.746 34 H GLU 6 HN GLU 6 3.582 11.446 0.282 35 HA GLU 6 HA GLU 6 1.954 11.169 -2.018 36 HB2 GLU 6 HB2 GLU 6 4.936 10.834 -1.716 37 HB3 GLU 6 HB1 GLU 6 4.106 10.920 -3.261 38 HG2 GLU 6 HG2 GLU 6 4.361 13.081 -1.187 39 HG3 GLU 6 HG1 GLU 6 5.150 13.019 -2.761 40 H ILE 7 HN ILE 7 3.866 8.981 -0.101 41 HA ILE 7 HA ILE 7 3.715 6.728 -1.678 42 HB ILE 7 HB ILE 7 3.867 6.973 1.332 43 HG12 ILE 7 HG12 ILE 7 5.831 7.787 0.177 44 HG13 ILE 7 HG11 ILE 7 6.219 6.278 0.993 45 HG21 ILE 7 HG21 ILE 7 4.169 4.449 -0.294 46 HG22 ILE 7 HG22 ILE 7 2.868 4.810 0.840 47 HG23 ILE 7 HG23 ILE 7 4.520 4.609 1.426 48 HD11 ILE 7 HD11 ILE 7 6.038 5.092 -1.141 49 HD12 ILE 7 HD12 ILE 7 7.237 6.375 -1.203 50 HD13 ILE 7 HD13 ILE 7 5.654 6.614 -1.943 51 H VAL 8 HN VAL 8 1.638 7.739 1.074 52 HA VAL 8 HA VAL 8 -0.287 5.705 0.979 53 HB VAL 8 HB VAL 8 -0.847 8.608 1.717 54 HG11 VAL 8 HG11 VAL 8 -2.191 6.047 2.530 55 HG12 VAL 8 HG12 VAL 8 -2.839 7.258 1.420 56 HG13 VAL 8 HG13 VAL 8 -2.600 7.656 3.120 57 HG21 VAL 8 HG21 VAL 8 0.066 6.344 3.462 58 HG22 VAL 8 HG22 VAL 8 -0.442 7.936 4.012 59 HG23 VAL 8 HG23 VAL 8 1.021 7.766 3.023 60 H ALA 9 HN ALA 9 -0.312 8.879 -0.614 61 HA ALA 9 HA ALA 9 -2.738 8.591 -1.980 62 HB1 ALA 9 HB1 ALA 9 -1.574 10.731 -1.732 63 HB2 ALA 9 HB2 ALA 9 -1.941 10.388 -3.424 64 HB3 ALA 9 HB3 ALA 9 -0.305 10.157 -2.810 65 H GLY 10 HN GLY 10 0.516 7.552 -2.785 66 HA2 GLY 10 HA2 GLY 10 0.024 6.793 -5.470 67 HA3 GLY 10 HA1 GLY 10 1.358 6.228 -4.468 68 H LEU 11 HN LEU 11 -0.129 5.123 -2.421 69 HA LEU 11 HA LEU 11 -0.727 2.535 -3.326 70 HB2 LEU 11 HB2 LEU 11 -1.679 3.976 -0.849 71 HB3 LEU 11 HB1 LEU 11 -1.828 2.253 -1.121 72 HG LEU 11 HG LEU 11 0.810 3.707 -0.949 73 HD11 LEU 11 HD11 LEU 11 -0.669 2.111 1.144 74 HD12 LEU 11 HD12 LEU 11 -0.374 3.851 1.178 75 HD13 LEU 11 HD13 LEU 11 0.977 2.724 1.299 76 HD21 LEU 11 HD21 LEU 11 0.110 0.772 -0.837 77 HD22 LEU 11 HD22 LEU 11 1.726 1.457 -0.685 78 HD23 LEU 11 HD23 LEU 11 0.842 1.601 -2.209 79 H ALA 12 HN ALA 12 -2.757 5.270 -2.482 80 HA ALA 12 HA ALA 12 -5.216 4.037 -3.037 81 HB1 ALA 12 HB1 ALA 12 -4.591 6.976 -3.011 82 HB2 ALA 12 HB2 ALA 12 -5.003 5.982 -1.602 83 HB3 ALA 12 HB3 ALA 12 -6.182 6.215 -2.897 84 H GLU 13 HN GLU 13 -2.879 5.558 -5.116 85 HA GLU 13 HA GLU 13 -4.496 6.212 -7.301 86 HB2 GLU 13 HB2 GLU 13 -1.634 5.249 -7.212 87 HB3 GLU 13 HB1 GLU 13 -2.425 5.753 -8.694 88 HG2 GLU 13 HG2 GLU 13 -2.715 7.998 -7.777 89 HG3 GLU 13 HG1 GLU 13 -1.942 7.482 -6.277 90 H ILE 14 HN ILE 14 -2.884 3.192 -6.483 91 HA ILE 14 HA ILE 14 -4.222 1.990 -8.720 92 HB ILE 14 HB ILE 14 -2.473 0.535 -6.694 93 HG12 ILE 14 HG12 ILE 14 -0.844 0.423 -8.705 94 HG13 ILE 14 HG11 ILE 14 -1.781 1.745 -9.381 95 HG21 ILE 14 HG21 ILE 14 -2.376 -1.232 -8.383 96 HG22 ILE 14 HG22 ILE 14 -3.505 -0.298 -9.384 97 HG23 ILE 14 HG23 ILE 14 -4.018 -0.911 -7.807 98 HD11 ILE 14 HD11 ILE 14 -1.197 3.116 -7.424 99 HD12 ILE 14 HD12 ILE 14 0.224 2.555 -8.309 100 HD13 ILE 14 HD13 ILE 14 -0.231 1.776 -6.799 101 H VAL 15 HN VAL 15 -4.552 1.992 -5.185 102 HA VAL 15 HA VAL 15 -6.471 -0.051 -5.106 103 HB VAL 15 HB VAL 15 -6.250 2.272 -3.126 104 HG11 VAL 15 HG11 VAL 15 -7.473 0.838 -1.556 105 HG12 VAL 15 HG12 VAL 15 -7.650 -0.390 -2.810 106 HG13 VAL 15 HG13 VAL 15 -8.449 1.172 -2.989 107 HG21 VAL 15 HG21 VAL 15 -5.194 -0.545 -2.986 108 HG22 VAL 15 HG22 VAL 15 -5.085 0.660 -1.706 109 HG23 VAL 15 HG23 VAL 15 -4.222 0.911 -3.232 110 H ASN 16 HN ASN 16 -6.733 3.201 -6.128 111 HA ASN 16 HA ASN 16 -9.523 3.553 -6.080 112 HB2 ASN 16 HB2 ASN 16 -8.075 5.450 -6.373 113 HB3 ASN 16 HB1 ASN 16 -7.366 4.754 -7.820 114 HD21 ASN 16 HD21 ASN 16 -10.182 6.235 -6.469 115 HD22 ASN 16 HD22 ASN 16 -10.890 6.749 -7.955 116 H GLU 17 HN GLU 17 -7.402 2.127 -8.529 117 HA GLU 17 HA GLU 17 -9.694 1.741 -10.243 118 HB2 GLU 17 HB2 GLU 17 -8.109 0.619 -11.801 119 HB3 GLU 17 HB1 GLU 17 -7.636 2.253 -11.380 120 HG2 GLU 17 HG2 GLU 17 -6.026 1.318 -9.753 121 HG3 GLU 17 HG1 GLU 17 -6.473 -0.297 -10.300 122 H ILE 18 HN ILE 18 -7.811 -0.105 -8.018 123 HA ILE 18 HA ILE 18 -8.829 -2.691 -8.672 124 HB ILE 18 HB ILE 18 -7.693 -1.644 -6.060 125 HG12 ILE 18 HG12 ILE 18 -6.141 -1.382 -7.849 126 HG13 ILE 18 HG11 ILE 18 -5.582 -2.685 -6.801 127 HG21 ILE 18 HG21 ILE 18 -8.034 -4.503 -6.957 128 HG22 ILE 18 HG22 ILE 18 -8.933 -3.690 -5.675 129 HG23 ILE 18 HG23 ILE 18 -7.204 -3.972 -5.493 130 HD11 ILE 18 HD11 ILE 18 -6.446 -4.318 -8.405 131 HD12 ILE 18 HD12 ILE 18 -5.248 -3.248 -9.149 132 HD13 ILE 18 HD13 ILE 18 -6.975 -3.001 -9.449 133 H ALA 19 HN ALA 19 -9.601 -0.392 -6.074 134 HA ALA 19 HA ALA 19 -12.019 -1.921 -5.530 135 HB1 ALA 19 HB1 ALA 19 -10.472 -1.641 -3.681 136 HB2 ALA 19 HB2 ALA 19 -12.020 -0.849 -3.346 137 HB3 ALA 19 HB3 ALA 19 -10.606 0.111 -3.819 138 H GLY 20 HN GLY 20 -10.967 1.467 -5.585 139 HA2 GLY 20 HA2 GLY 20 -12.387 2.822 -7.209 140 HA3 GLY 20 HA1 GLY 20 -13.757 2.121 -6.363 141 H ILE 21 HN ILE 21 -11.257 2.812 -4.215 142 HA ILE 21 HA ILE 21 -12.786 4.939 -3.109 143 HB ILE 21 HB ILE 21 -10.830 5.139 -1.462 144 HG12 ILE 21 HG12 ILE 21 -9.502 2.987 -1.218 145 HG13 ILE 21 HG11 ILE 21 -10.052 2.545 -2.824 146 HG21 ILE 21 HG21 ILE 21 -12.914 4.176 -0.883 147 HG22 ILE 21 HG22 ILE 21 -11.608 3.217 -0.182 148 HG23 ILE 21 HG23 ILE 21 -12.456 2.641 -1.616 149 HD11 ILE 21 HD11 ILE 21 -8.882 4.495 -3.742 150 HD12 ILE 21 HD12 ILE 21 -7.792 3.414 -2.879 151 HD13 ILE 21 HD13 ILE 21 -8.325 4.918 -2.122 152 HA PRO 22 HA PRO 22 -10.930 8.499 -4.889 153 HB2 PRO 22 HB2 PRO 22 -11.088 9.710 -2.186 154 HB3 PRO 22 HB1 PRO 22 -11.800 10.263 -3.704 155 HG2 PRO 22 HG2 PRO 22 -13.320 9.194 -1.803 156 HG3 PRO 22 HG1 PRO 22 -13.628 8.850 -3.515 157 HD2 PRO 22 HD2 PRO 22 -12.268 7.160 -1.457 158 HD3 PRO 22 HD1 PRO 22 -13.428 6.686 -2.714 159 H VAL 23 HN VAL 23 -8.927 9.206 -5.124 160 HA VAL 23 HA VAL 23 -6.756 8.013 -3.683 161 HB VAL 23 HB VAL 23 -5.283 9.367 -5.168 162 HG11 VAL 23 HG11 VAL 23 -5.993 8.310 -7.269 163 HG12 VAL 23 HG12 VAL 23 -7.570 7.965 -6.559 164 HG13 VAL 23 HG13 VAL 23 -6.124 7.190 -5.913 165 HG21 VAL 23 HG21 VAL 23 -6.656 11.344 -5.289 166 HG22 VAL 23 HG22 VAL 23 -7.916 10.445 -6.108 167 HG23 VAL 23 HG23 VAL 23 -6.367 10.731 -6.929 168 H GLU 24 HN GLU 24 -8.518 10.104 -2.382 169 HA GLU 24 HA GLU 24 -6.354 11.506 -0.971 170 HB2 GLU 24 HB2 GLU 24 -7.812 13.504 -0.835 171 HB3 GLU 24 HB1 GLU 24 -7.360 13.114 -2.491 172 HG2 GLU 24 HG2 GLU 24 -9.523 12.039 -2.832 173 HG3 GLU 24 HG1 GLU 24 -9.979 12.440 -1.181 174 H ASP 25 HN ASP 25 -8.674 9.288 -0.855 175 HA ASP 25 HA ASP 25 -9.973 10.058 1.640 176 HB2 ASP 25 HB2 ASP 25 -11.195 8.947 -0.253 177 HB3 ASP 25 HB1 ASP 25 -10.214 7.530 0.026 178 H VAL 26 HN VAL 26 -7.705 7.843 0.304 179 HA VAL 26 HA VAL 26 -7.186 6.445 2.772 180 HB VAL 26 HB VAL 26 -5.639 6.464 0.155 181 HG11 VAL 26 HG11 VAL 26 -5.564 4.525 2.471 182 HG12 VAL 26 HG12 VAL 26 -4.298 5.678 2.040 183 HG13 VAL 26 HG13 VAL 26 -4.684 4.348 0.951 184 HG21 VAL 26 HG21 VAL 26 -6.779 4.351 -0.320 185 HG22 VAL 26 HG22 VAL 26 -7.923 5.687 -0.167 186 HG23 VAL 26 HG23 VAL 26 -7.728 4.537 1.155 187 H LYS 27 HN LYS 27 -6.587 7.843 4.225 188 HA LYS 27 HA LYS 27 -4.081 9.259 3.775 189 HB2 LYS 27 HB2 LYS 27 -6.365 9.803 5.694 190 HB3 LYS 27 HB1 LYS 27 -4.815 10.637 5.774 191 HG2 LYS 27 HG2 LYS 27 -5.144 11.525 3.539 192 HG3 LYS 27 HG1 LYS 27 -6.663 10.646 3.393 193 HD2 LYS 27 HD2 LYS 27 -7.638 11.959 5.161 194 HD3 LYS 27 HD1 LYS 27 -6.094 12.761 5.461 195 HE2 LYS 27 HE2 LYS 27 -7.672 12.926 2.896 196 HE3 LYS 27 HE1 LYS 27 -7.639 14.164 4.148 197 HZ1 LYS 27 HZ1 LYS 27 -6.079 14.729 2.375 198 HZ2 LYS 27 HZ2 LYS 27 -5.307 13.259 2.530 199 HZ3 LYS 27 HZ3 LYS 27 -5.232 14.368 3.788 200 H LEU 28 HN LEU 28 -3.403 9.481 6.590 201 HA LEU 28 HA LEU 28 -2.062 7.036 6.652 202 HB2 LEU 28 HB2 LEU 28 -2.063 9.321 8.527 203 HB3 LEU 28 HB1 LEU 28 -1.369 7.803 9.066 204 HG LEU 28 HG LEU 28 0.397 9.169 8.235 205 HD11 LEU 28 HD11 LEU 28 0.629 6.836 7.768 206 HD12 LEU 28 HD12 LEU 28 1.294 7.769 6.425 207 HD13 LEU 28 HD13 LEU 28 -0.288 7.008 6.273 208 HD21 LEU 28 HD21 LEU 28 -1.133 9.389 5.635 209 HD22 LEU 28 HD22 LEU 28 0.493 10.010 5.932 210 HD23 LEU 28 HD23 LEU 28 -0.883 10.691 6.797 211 H ASP 29 HN ASP 29 -4.992 7.751 8.370 212 HA ASP 29 HA ASP 29 -4.629 5.235 9.781 213 HB2 ASP 29 HB2 ASP 29 -6.772 7.337 10.113 214 HB3 ASP 29 HB1 ASP 29 -6.858 5.767 10.900 215 H LYS 30 HN LYS 30 -4.573 4.267 7.774 216 HA LYS 30 HA LYS 30 -7.201 3.140 7.006 217 HB2 LYS 30 HB2 LYS 30 -5.036 4.109 5.137 218 HB3 LYS 30 HB1 LYS 30 -6.375 3.077 4.645 219 HG2 LYS 30 HG2 LYS 30 -6.800 5.663 6.010 220 HG3 LYS 30 HG1 LYS 30 -6.562 5.585 4.253 221 HD2 LYS 30 HD2 LYS 30 -8.470 4.189 3.993 222 HD3 LYS 30 HD1 LYS 30 -8.612 3.961 5.734 223 HE2 LYS 30 HE2 LYS 30 -8.800 6.616 4.435 224 HE3 LYS 30 HE1 LYS 30 -10.233 5.586 4.633 225 HZ1 LYS 30 HZ1 LYS 30 -8.514 6.776 6.764 226 HZ2 LYS 30 HZ2 LYS 30 -9.658 5.562 7.051 227 HZ3 LYS 30 HZ3 LYS 30 -10.159 7.053 6.458 228 H SER 31 HN SER 31 -7.159 0.942 6.863 229 HA SER 31 HA SER 31 -4.579 -0.355 6.481 230 HB2 SER 31 HB2 SER 31 -5.626 -2.327 7.613 231 HB3 SER 31 HB1 SER 31 -5.443 -0.923 8.667 232 HG SER 31 HG SER 31 -7.475 -1.245 9.027 233 H PHE 32 HN PHE 32 -4.827 -2.430 5.214 234 HA PHE 32 HA PHE 32 -6.247 -1.681 2.778 235 HB2 PHE 32 HB2 PHE 32 -4.274 -3.857 3.379 236 HB3 PHE 32 HB1 PHE 32 -4.837 -3.366 1.786 237 HD1 PHE 32 HD2 PHE 32 -4.118 -1.251 0.806 238 HD2 PHE 32 HD1 PHE 32 -2.662 -2.537 4.595 239 HE1 PHE 32 HE2 PHE 32 -2.331 0.427 0.686 240 HE2 PHE 32 HE1 PHE 32 -0.873 -0.856 4.479 241 HZ PHE 32 HZ PHE 32 -0.635 0.543 2.493 242 H THR 33 HN THR 33 -7.816 -2.738 4.984 243 HA THR 33 HA THR 33 -9.539 -4.253 3.480 244 HB THR 33 HB THR 33 -8.118 -6.140 3.537 245 HG1 THR 33 HG1 THR 33 -9.575 -7.547 4.132 246 HG21 THR 33 HG21 THR 33 -6.627 -5.564 5.397 247 HG22 THR 33 HG22 THR 33 -7.228 -7.202 5.587 248 HG23 THR 33 HG23 THR 33 -7.915 -5.893 6.558 249 H ASP 34 HN ASP 34 -8.489 -3.992 6.863 250 HA ASP 34 HA ASP 34 -11.104 -4.340 7.854 251 HB2 ASP 34 HB2 ASP 34 -8.699 -3.161 9.252 252 HB3 ASP 34 HB1 ASP 34 -10.181 -3.712 10.030 253 H ASP 35 HN ASP 35 -9.115 -1.429 7.470 254 HA ASP 35 HA ASP 35 -11.328 0.247 8.297 255 HB2 ASP 35 HB2 ASP 35 -8.831 0.877 8.653 256 HB3 ASP 35 HB1 ASP 35 -8.825 1.187 6.935 257 H LEU 36 HN LEU 36 -9.723 -0.611 5.305 258 HA LEU 36 HA LEU 36 -11.380 1.165 3.752 259 HB2 LEU 36 HB2 LEU 36 -9.209 -0.787 3.044 260 HB3 LEU 36 HB1 LEU 36 -10.171 0.012 1.816 261 HG LEU 36 HG LEU 36 -8.463 1.456 3.855 262 HD11 LEU 36 HD11 LEU 36 -7.086 0.181 2.287 263 HD12 LEU 36 HD12 LEU 36 -6.963 1.914 1.975 264 HD13 LEU 36 HD13 LEU 36 -7.960 0.898 0.933 265 HD21 LEU 36 HD21 LEU 36 -8.875 3.399 2.430 266 HD22 LEU 36 HD22 LEU 36 -10.381 2.743 3.071 267 HD23 LEU 36 HD23 LEU 36 -9.920 2.419 1.398 268 H ASP 37 HN ASP 37 -11.954 -0.201 1.494 269 HA ASP 37 HA ASP 37 -13.786 -2.310 2.439 270 HB2 ASP 37 HB2 ASP 37 -15.432 -1.654 0.766 271 HB3 ASP 37 HB1 ASP 37 -15.049 -0.268 1.764 272 H VAL 38 HN VAL 38 -11.106 -1.767 0.904 273 HA VAL 38 HA VAL 38 -11.437 -3.676 -1.243 274 HB VAL 38 HB VAL 38 -10.007 -1.673 -1.637 275 HG11 VAL 38 HG11 VAL 38 -8.237 -2.735 0.546 276 HG12 VAL 38 HG12 VAL 38 -9.189 -1.252 0.592 277 HG13 VAL 38 HG13 VAL 38 -7.842 -1.399 -0.538 278 HG21 VAL 38 HG21 VAL 38 -8.441 -4.244 -1.581 279 HG22 VAL 38 HG22 VAL 38 -8.002 -2.802 -2.498 280 HG23 VAL 38 HG23 VAL 38 -9.482 -3.678 -2.888 281 H ASP 39 HN ASP 39 -11.062 -5.747 -0.908 282 HA ASP 39 HA ASP 39 -10.343 -6.647 1.710 283 HB2 ASP 39 HB2 ASP 39 -10.889 -8.167 -0.824 284 HB3 ASP 39 HB1 ASP 39 -10.383 -8.956 0.667 285 H SER 40 HN SER 40 -8.717 -8.303 2.070 286 HA SER 40 HA SER 40 -6.174 -7.281 1.445 287 HB2 SER 40 HB2 SER 40 -5.439 -9.354 2.614 288 HB3 SER 40 HB1 SER 40 -6.621 -8.375 3.502 289 H LEU 41 HN LEU 41 -7.972 -10.102 0.414 290 HA LEU 41 HA LEU 41 -6.055 -11.196 -1.265 291 HB2 LEU 41 HB2 LEU 41 -9.067 -11.397 -1.436 292 HB3 LEU 41 HB1 LEU 41 -8.016 -12.267 -2.521 293 HG LEU 41 HG LEU 41 -7.042 -13.417 -0.469 294 HD11 LEU 41 HD11 LEU 41 -8.462 -13.511 1.519 295 HD12 LEU 41 HD12 LEU 41 -9.426 -12.177 0.889 296 HD13 LEU 41 HD13 LEU 41 -7.719 -11.940 1.280 297 HD21 LEU 41 HD21 LEU 41 -9.955 -13.824 -1.095 298 HD22 LEU 41 HD22 LEU 41 -8.907 -14.987 -0.287 299 HD23 LEU 41 HD23 LEU 41 -8.589 -14.528 -1.960 300 H SER 42 HN SER 42 -8.129 -8.516 -1.604 301 HA SER 42 HA SER 42 -7.914 -8.238 -4.450 302 HB2 SER 42 HB2 SER 42 -9.989 -7.597 -3.301 303 HB3 SER 42 HB1 SER 42 -9.088 -6.449 -2.313 304 HG SER 42 HG SER 42 -10.042 -6.222 -4.878 305 H MET 43 HN MET 43 -6.515 -6.741 -1.478 306 HA MET 43 HA MET 43 -5.067 -4.719 -2.699 307 HB2 MET 43 HB2 MET 43 -5.258 -4.991 -0.206 308 HB3 MET 43 HB1 MET 43 -4.087 -6.306 -0.309 309 HG2 MET 43 HG2 MET 43 -2.586 -4.623 -1.509 310 HG3 MET 43 HG1 MET 43 -3.672 -3.391 -0.899 311 HE1 MET 43 HE1 MET 43 -0.849 -5.967 -0.129 312 HE2 MET 43 HE2 MET 43 -2.182 -6.736 0.743 313 HE3 MET 43 HE3 MET 43 -0.842 -6.018 1.630 314 H VAL 44 HN VAL 44 -4.569 -8.064 -2.657 315 HA VAL 44 HA VAL 44 -1.852 -8.304 -3.182 316 HB VAL 44 HB VAL 44 -4.091 -10.060 -4.227 317 HG11 VAL 44 HG11 VAL 44 -1.157 -10.677 -3.899 318 HG12 VAL 44 HG12 VAL 44 -2.021 -10.492 -5.425 319 HG13 VAL 44 HG13 VAL 44 -2.410 -11.833 -4.349 320 HG21 VAL 44 HG21 VAL 44 -2.464 -10.252 -1.675 321 HG22 VAL 44 HG22 VAL 44 -3.632 -11.445 -2.229 322 HG23 VAL 44 HG23 VAL 44 -4.159 -9.826 -1.810 323 H GLU 45 HN GLU 45 -4.361 -7.160 -5.261 324 HA GLU 45 HA GLU 45 -2.852 -7.411 -7.682 325 HB2 GLU 45 HB2 GLU 45 -5.335 -5.817 -7.041 326 HB3 GLU 45 HB1 GLU 45 -4.653 -5.998 -8.652 327 HG2 GLU 45 HG2 GLU 45 -5.738 -8.216 -6.922 328 HG3 GLU 45 HG1 GLU 45 -6.530 -7.504 -8.329 329 H VAL 46 HN VAL 46 -3.440 -4.861 -5.302 330 HA VAL 46 HA VAL 46 -1.984 -2.954 -6.870 331 HB VAL 46 HB VAL 46 -3.883 -2.058 -5.752 332 HG11 VAL 46 HG11 VAL 46 -4.141 -2.003 -3.325 333 HG12 VAL 46 HG12 VAL 46 -2.725 -3.052 -3.183 334 HG13 VAL 46 HG13 VAL 46 -4.174 -3.623 -4.016 335 HG21 VAL 46 HG21 VAL 46 -1.423 -1.107 -4.293 336 HG22 VAL 46 HG22 VAL 46 -2.961 -0.243 -4.378 337 HG23 VAL 46 HG23 VAL 46 -2.017 -0.508 -5.844 338 H VAL 47 HN VAL 47 -1.303 -4.976 -4.089 339 HA VAL 47 HA VAL 47 0.958 -3.561 -3.200 340 HB VAL 47 HB VAL 47 -0.117 -5.291 -1.797 341 HG11 VAL 47 HG11 VAL 47 -0.582 -6.994 -3.447 342 HG12 VAL 47 HG12 VAL 47 0.345 -7.665 -2.104 343 HG13 VAL 47 HG13 VAL 47 1.144 -7.309 -3.636 344 HG21 VAL 47 HG21 VAL 47 2.809 -5.810 -2.295 345 HG22 VAL 47 HG22 VAL 47 1.916 -6.302 -0.856 346 HG23 VAL 47 HG23 VAL 47 2.123 -4.589 -1.221 347 H VAL 48 HN VAL 48 0.700 -6.071 -5.639 348 HA VAL 48 HA VAL 48 3.497 -6.286 -6.040 349 HB VAL 48 HB VAL 48 1.884 -8.071 -6.680 350 HG11 VAL 48 HG11 VAL 48 0.071 -6.789 -7.559 351 HG12 VAL 48 HG12 VAL 48 0.620 -7.948 -8.770 352 HG13 VAL 48 HG13 VAL 48 1.060 -6.245 -8.911 353 HG21 VAL 48 HG21 VAL 48 4.098 -8.130 -7.652 354 HG22 VAL 48 HG22 VAL 48 3.575 -7.077 -8.964 355 HG23 VAL 48 HG23 VAL 48 2.910 -8.704 -8.823 356 H ALA 49 HN ALA 49 1.027 -4.203 -7.279 357 HA ALA 49 HA ALA 49 2.633 -3.113 -9.408 358 HB1 ALA 49 HB1 ALA 49 0.196 -3.282 -9.647 359 HB2 ALA 49 HB2 ALA 49 0.731 -1.604 -9.762 360 HB3 ALA 49 HB3 ALA 49 -0.013 -2.194 -8.274 361 H ALA 50 HN ALA 50 2.195 -2.579 -6.079 362 HA ALA 50 HA ALA 50 2.840 0.176 -6.041 363 HB1 ALA 50 HB1 ALA 50 3.064 -1.861 -3.818 364 HB2 ALA 50 HB2 ALA 50 1.639 -0.895 -4.191 365 HB3 ALA 50 HB3 ALA 50 3.111 -0.109 -3.625 366 H GLU 51 HN GLU 51 4.638 -2.777 -6.062 367 HA GLU 51 HA GLU 51 7.101 -1.862 -5.148 368 HB2 GLU 51 HB2 GLU 51 6.560 -3.986 -7.215 369 HB3 GLU 51 HB1 GLU 51 8.090 -3.734 -6.391 370 HG2 GLU 51 HG2 GLU 51 6.947 -4.188 -4.242 371 HG3 GLU 51 HG1 GLU 51 5.484 -4.563 -5.154 372 H GLU 52 HN GLU 52 5.862 -2.005 -8.454 373 HA GLU 52 HA GLU 52 8.159 -0.796 -9.579 374 HB2 GLU 52 HB2 GLU 52 6.767 -0.557 -11.634 375 HB3 GLU 52 HB1 GLU 52 6.757 -2.182 -10.975 376 HG2 GLU 52 HG2 GLU 52 4.559 -1.708 -9.936 377 HG3 GLU 52 HG1 GLU 52 4.598 -0.121 -10.675 378 H ARG 53 HN ARG 53 5.036 0.475 -8.553 379 HA ARG 53 HA ARG 53 5.321 3.092 -9.549 380 HB2 ARG 53 HB2 ARG 53 3.650 1.998 -7.301 381 HB3 ARG 53 HB1 ARG 53 3.611 3.691 -7.758 382 HG2 ARG 53 HG2 ARG 53 2.998 1.437 -9.657 383 HG3 ARG 53 HG1 ARG 53 1.777 2.259 -8.689 384 HD2 ARG 53 HD2 ARG 53 2.382 4.395 -9.761 385 HD3 ARG 53 HD1 ARG 53 3.584 3.552 -10.741 386 HE ARG 53 HE ARG 53 1.366 2.187 -11.327 387 HH11 ARG 53 HH11 ARG 53 1.710 5.731 -11.179 388 HH12 ARG 53 HH12 ARG 53 0.707 5.991 -12.531 389 HH21 ARG 53 HH21 ARG 53 -0.024 2.586 -13.068 390 HH22 ARG 53 HH22 ARG 53 -0.367 4.161 -13.619 391 H PHE 54 HN PHE 54 6.306 1.726 -6.426 392 HA PHE 54 HA PHE 54 7.160 4.412 -5.668 393 HB2 PHE 54 HB2 PHE 54 6.882 1.962 -3.956 394 HB3 PHE 54 HB1 PHE 54 7.377 3.555 -3.392 395 HD1 PHE 54 HD2 PHE 54 5.715 5.475 -4.230 396 HD2 PHE 54 HD1 PHE 54 4.711 1.399 -3.617 397 HE1 PHE 54 HE2 PHE 54 3.372 6.100 -3.926 398 HE2 PHE 54 HE1 PHE 54 2.359 2.020 -3.316 399 HZ PHE 54 HZ PHE 54 1.691 4.357 -3.467 400 H ASP 55 HN ASP 55 8.538 1.748 -7.043 401 HA ASP 55 HA ASP 55 10.691 1.134 -7.508 402 HB2 ASP 55 HB2 ASP 55 11.466 3.601 -5.913 403 HB3 ASP 55 HB1 ASP 55 12.617 2.621 -6.817 404 H VAL 56 HN VAL 56 9.423 -0.188 -5.606 405 HA VAL 56 HA VAL 56 11.496 -0.675 -3.569 406 HB VAL 56 HB VAL 56 9.713 -1.388 -1.944 407 HG11 VAL 56 HG11 VAL 56 9.565 1.487 -2.768 408 HG12 VAL 56 HG12 VAL 56 10.787 0.740 -1.727 409 HG13 VAL 56 HG13 VAL 56 9.104 0.782 -1.211 410 HG21 VAL 56 HG21 VAL 56 7.431 -0.534 -2.267 411 HG22 VAL 56 HG22 VAL 56 7.879 -1.760 -3.447 412 HG23 VAL 56 HG23 VAL 56 7.864 -0.053 -3.910 413 H LYS 57 HN LYS 57 10.720 -2.807 -2.341 414 HA LYS 57 HA LYS 57 9.834 -4.843 -4.204 415 HB2 LYS 57 HB2 LYS 57 12.328 -4.902 -4.166 416 HB3 LYS 57 HB1 LYS 57 12.281 -5.047 -2.414 417 HG2 LYS 57 HG2 LYS 57 11.129 -7.207 -2.631 418 HG3 LYS 57 HG1 LYS 57 11.203 -7.056 -4.389 419 HD2 LYS 57 HD2 LYS 57 12.999 -8.480 -3.639 420 HD3 LYS 57 HD1 LYS 57 13.672 -6.961 -4.231 421 HE2 LYS 57 HE2 LYS 57 13.748 -6.168 -1.856 422 HE3 LYS 57 HE1 LYS 57 13.272 -7.794 -1.362 423 HZ1 LYS 57 HZ1 LYS 57 15.655 -7.577 -1.241 424 HZ2 LYS 57 HZ2 LYS 57 15.708 -7.014 -2.831 425 HZ3 LYS 57 HZ3 LYS 57 15.274 -8.616 -2.531 426 H ILE 58 HN ILE 58 8.267 -5.905 -3.215 427 HA ILE 58 HA ILE 58 8.196 -5.907 -0.269 428 HB ILE 58 HB ILE 58 5.714 -5.554 -1.999 429 HG12 ILE 58 HG12 ILE 58 7.125 -3.429 -0.360 430 HG13 ILE 58 HG11 ILE 58 7.236 -3.555 -2.112 431 HG21 ILE 58 HG21 ILE 58 5.356 -6.609 0.187 432 HG22 ILE 58 HG22 ILE 58 4.643 -4.998 0.144 433 HG23 ILE 58 HG23 ILE 58 6.175 -5.261 0.977 434 HD11 ILE 58 HD11 ILE 58 4.835 -3.162 -2.286 435 HD12 ILE 58 HD12 ILE 58 5.649 -1.844 -1.446 436 HD13 ILE 58 HD13 ILE 58 4.727 -3.042 -0.531 437 HA PRO 59 HA PRO 59 7.847 -10.256 -1.608 438 HB2 PRO 59 HB2 PRO 59 8.620 -10.732 1.188 439 HB3 PRO 59 HB1 PRO 59 9.420 -11.254 -0.297 440 HG2 PRO 59 HG2 PRO 59 10.486 -9.362 1.265 441 HG3 PRO 59 HG1 PRO 59 10.616 -9.299 -0.505 442 HD2 PRO 59 HD2 PRO 59 8.737 -7.831 1.311 443 HD3 PRO 59 HD1 PRO 59 9.684 -7.219 -0.065 444 H ASP 60 HN ASP 60 6.375 -11.836 -1.124 445 HA ASP 60 HA ASP 60 3.830 -11.136 -0.292 446 HB2 ASP 60 HB2 ASP 60 5.063 -13.899 -0.427 447 HB3 ASP 60 HB1 ASP 60 3.343 -13.577 -0.271 448 H ASP 61 HN ASP 61 6.356 -12.778 1.540 449 HA ASP 61 HA ASP 61 4.691 -13.266 3.834 450 HB2 ASP 61 HB2 ASP 61 7.711 -13.218 3.717 451 HB3 ASP 61 HB1 ASP 61 6.746 -13.845 5.039 452 H ASP 62 HN ASP 62 6.806 -10.713 2.830 453 HA ASP 62 HA ASP 62 7.099 -9.513 5.419 454 HB2 ASP 62 HB2 ASP 62 8.626 -9.235 3.292 455 HB3 ASP 62 HB1 ASP 62 7.480 -7.978 2.851 456 H VAL 63 HN VAL 63 4.981 -9.140 2.690 457 HA VAL 63 HA VAL 63 3.539 -6.838 3.233 458 HB VAL 63 HB VAL 63 2.428 -9.501 2.268 459 HG11 VAL 63 HG11 VAL 63 0.640 -8.188 1.243 460 HG12 VAL 63 HG12 VAL 63 1.291 -6.728 1.987 461 HG13 VAL 63 HG13 VAL 63 0.648 -8.021 2.997 462 HG21 VAL 63 HG21 VAL 63 3.440 -7.131 0.711 463 HG22 VAL 63 HG22 VAL 63 2.690 -8.569 0.022 464 HG23 VAL 63 HG23 VAL 63 4.237 -8.694 0.861 465 H LYS 64 HN LYS 64 3.080 -10.068 4.545 466 HA LYS 64 HA LYS 64 0.736 -9.534 6.066 467 HB2 LYS 64 HB2 LYS 64 2.755 -11.752 6.383 468 HB3 LYS 64 HB1 LYS 64 1.165 -11.706 7.116 469 HG2 LYS 64 HG2 LYS 64 0.144 -11.781 4.886 470 HG3 LYS 64 HG1 LYS 64 1.760 -11.854 4.165 471 HD2 LYS 64 HD2 LYS 64 2.211 -13.937 5.341 472 HD3 LYS 64 HD1 LYS 64 0.641 -13.850 6.133 473 HE2 LYS 64 HE2 LYS 64 0.535 -15.421 4.313 474 HE3 LYS 64 HE1 LYS 64 -0.441 -14.010 3.919 475 HZ1 LYS 64 HZ1 LYS 64 2.306 -14.562 2.863 476 HZ2 LYS 64 HZ2 LYS 64 1.318 -13.235 2.441 477 HZ3 LYS 64 HZ3 LYS 64 0.851 -14.788 2.073 478 H ASN 65 HN ASN 65 3.847 -8.438 6.615 479 HA ASN 65 HA ASN 65 3.704 -8.762 9.507 480 HB2 ASN 65 HB2 ASN 65 5.853 -9.191 8.192 481 HB3 ASN 65 HB1 ASN 65 5.932 -7.452 7.942 482 HD21 ASN 65 HD21 ASN 65 4.877 -9.157 10.879 483 HD22 ASN 65 HD22 ASN 65 6.151 -8.549 11.873 484 H LEU 66 HN LEU 66 2.701 -6.533 7.162 485 HA LEU 66 HA LEU 66 3.025 -4.307 9.036 486 HB2 LEU 66 HB2 LEU 66 2.213 -4.289 6.123 487 HB3 LEU 66 HB1 LEU 66 2.448 -2.871 7.125 488 HG LEU 66 HG LEU 66 4.597 -4.820 6.280 489 HD11 LEU 66 HD11 LEU 66 4.016 -1.999 5.454 490 HD12 LEU 66 HD12 LEU 66 3.845 -3.448 4.452 491 HD13 LEU 66 HD13 LEU 66 5.446 -2.919 4.983 492 HD21 LEU 66 HD21 LEU 66 5.036 -3.860 8.508 493 HD22 LEU 66 HD22 LEU 66 4.849 -2.240 7.830 494 HD23 LEU 66 HD23 LEU 66 6.174 -3.270 7.299 495 H LYS 67 HN LYS 67 0.851 -2.718 8.532 496 HA LYS 67 HA LYS 67 -1.462 -4.434 8.576 497 HB2 LYS 67 HB2 LYS 67 -2.277 -3.744 10.781 498 HB3 LYS 67 HB1 LYS 67 -0.735 -4.566 10.902 499 HG2 LYS 67 HG2 LYS 67 0.265 -2.195 10.965 500 HG3 LYS 67 HG1 LYS 67 -1.384 -1.677 11.319 501 HD2 LYS 67 HD2 LYS 67 -0.369 -1.976 13.424 502 HD3 LYS 67 HD1 LYS 67 -1.353 -3.426 13.182 503 HE2 LYS 67 HE2 LYS 67 0.730 -4.194 13.992 504 HE3 LYS 67 HE1 LYS 67 0.727 -4.525 12.261 505 HZ1 LYS 67 HZ1 LYS 67 2.838 -3.585 12.751 506 HZ2 LYS 67 HZ2 LYS 67 2.152 -2.425 13.738 507 HZ3 LYS 67 HZ3 LYS 67 1.999 -2.265 12.084 508 H THR 68 HN THR 68 -0.499 -1.002 9.149 509 HA THR 68 HA THR 68 -2.909 -0.312 7.614 510 HB THR 68 HB THR 68 -2.735 1.930 8.631 511 HG1 THR 68 HG1 THR 68 -0.527 0.765 10.015 512 HG21 THR 68 HG21 THR 68 -4.170 0.277 9.704 513 HG22 THR 68 HG22 THR 68 -3.423 1.317 10.923 514 HG23 THR 68 HG23 THR 68 -2.804 -0.313 10.647 515 H VAL 69 HN VAL 69 -2.458 2.037 6.665 516 HA VAL 69 HA VAL 69 -0.259 1.777 4.877 517 HB VAL 69 HB VAL 69 -0.927 3.970 3.937 518 HG11 VAL 69 HG11 VAL 69 -3.290 2.175 4.444 519 HG12 VAL 69 HG12 VAL 69 -2.107 2.005 3.148 520 HG13 VAL 69 HG13 VAL 69 -3.180 3.404 3.182 521 HG21 VAL 69 HG21 VAL 69 -2.888 5.150 4.803 522 HG22 VAL 69 HG22 VAL 69 -1.584 5.097 5.990 523 HG23 VAL 69 HG23 VAL 69 -2.971 4.014 6.140 524 H GLY 70 HN GLY 70 -0.632 2.968 8.011 525 HA2 GLY 70 HA2 GLY 70 1.405 4.952 8.001 526 HA3 GLY 70 HA1 GLY 70 0.736 4.128 9.411 527 H ASP 71 HN ASP 71 1.249 1.506 8.453 528 HA ASP 71 HA ASP 71 4.010 1.191 9.251 529 HB2 ASP 71 HB2 ASP 71 2.139 -0.908 8.119 530 HB3 ASP 71 HB1 ASP 71 3.610 -1.195 9.028 531 H ALA 72 HN ALA 72 2.052 0.911 6.391 532 HA ALA 72 HA ALA 72 3.878 -0.363 4.690 533 HB1 ALA 72 HB1 ALA 72 1.476 -0.263 4.234 534 HB2 ALA 72 HB2 ALA 72 2.414 0.354 2.873 535 HB3 ALA 72 HB3 ALA 72 1.601 1.474 3.964 536 H THR 73 HN THR 73 3.096 3.036 5.164 537 HA THR 73 HA THR 73 4.697 4.114 3.228 538 HB THR 73 HB THR 73 4.798 6.114 4.860 539 HG1 THR 73 HG1 THR 73 2.694 4.749 6.113 540 HG21 THR 73 HG21 THR 73 2.156 5.005 3.955 541 HG22 THR 73 HG22 THR 73 3.281 5.917 2.956 542 HG23 THR 73 HG23 THR 73 2.495 6.691 4.337 543 H LYS 74 HN LYS 74 5.504 3.328 6.576 544 HA LYS 74 HA LYS 74 8.110 4.365 6.626 545 HB2 LYS 74 HB2 LYS 74 7.141 1.912 8.106 546 HB3 LYS 74 HB1 LYS 74 8.540 2.890 8.506 547 HG2 LYS 74 HG2 LYS 74 5.652 3.686 8.708 548 HG3 LYS 74 HG1 LYS 74 6.766 3.359 10.032 549 HD2 LYS 74 HD2 LYS 74 8.140 5.290 9.256 550 HD3 LYS 74 HD1 LYS 74 6.876 5.656 8.077 551 HE2 LYS 74 HE2 LYS 74 6.669 5.683 11.085 552 HE3 LYS 74 HE1 LYS 74 6.502 7.049 9.978 553 HZ1 LYS 74 HZ1 LYS 74 4.665 4.760 10.319 554 HZ2 LYS 74 HZ2 LYS 74 4.484 5.863 9.078 555 HZ3 LYS 74 HZ3 LYS 74 4.318 6.353 10.700 556 H TYR 75 HN TYR 75 6.931 1.125 5.831 557 HA TYR 75 HA TYR 75 9.460 -0.030 5.360 558 HB2 TYR 75 HB2 TYR 75 7.505 -1.413 5.833 559 HB3 TYR 75 HB1 TYR 75 6.736 -0.860 4.347 560 HD1 TYR 75 HD1 TYR 75 9.512 -2.859 5.711 561 HD2 TYR 75 HD2 TYR 75 7.275 -1.867 2.237 562 HE1 TYR 75 HE1 TYR 75 10.574 -4.715 4.492 563 HE2 TYR 75 HE2 TYR 75 8.335 -3.704 1.014 564 HH TYR 75 HH TYR 75 10.092 -6.101 2.660 565 H ILE 76 HN ILE 76 7.119 1.461 3.215 566 HA ILE 76 HA ILE 76 8.407 0.754 0.834 567 HB ILE 76 HB ILE 76 6.459 2.991 1.425 568 HG12 ILE 76 HG12 ILE 76 6.144 0.332 0.021 569 HG13 ILE 76 HG11 ILE 76 5.720 0.637 1.699 570 HG21 ILE 76 HG21 ILE 76 7.463 2.005 -1.258 571 HG22 ILE 76 HG22 ILE 76 7.807 3.583 -0.552 572 HG23 ILE 76 HG23 ILE 76 6.157 3.163 -1.011 573 HD11 ILE 76 HD11 ILE 76 3.779 0.679 0.264 574 HD12 ILE 76 HD12 ILE 76 4.521 1.985 -0.687 575 HD13 ILE 76 HD13 ILE 76 4.097 2.252 1.007 576 H LEU 77 HN LEU 77 8.410 4.077 2.289 577 HA LEU 77 HA LEU 77 10.527 4.826 0.697 578 HB2 LEU 77 HB2 LEU 77 10.868 6.751 2.349 579 HB3 LEU 77 HB1 LEU 77 9.348 6.650 1.506 580 HG LEU 77 HG LEU 77 8.358 5.662 3.590 581 HD11 LEU 77 HD11 LEU 77 10.954 6.536 4.817 582 HD12 LEU 77 HD12 LEU 77 10.372 4.879 4.656 583 HD13 LEU 77 HD13 LEU 77 9.510 6.020 5.688 584 HD21 LEU 77 HD21 LEU 77 8.024 7.979 2.985 585 HD22 LEU 77 HD22 LEU 77 9.536 8.422 3.779 586 HD23 LEU 77 HD23 LEU 77 8.186 7.809 4.732 587 H ASP 78 HN ASP 78 10.602 2.904 3.400 588 HA ASP 78 HA ASP 78 13.381 3.147 4.109 589 HB2 ASP 78 HB2 ASP 78 11.882 2.104 5.667 590 HB3 ASP 78 HB1 ASP 78 11.358 0.936 4.470 591 H HIS 79 HN HIS 79 11.574 1.107 1.894 592 HA HIS 79 HA HIS 79 14.009 -0.288 1.053 593 HB2 HIS 79 HB2 HIS 79 11.174 -0.987 1.171 594 HB3 HIS 79 HB1 HIS 79 11.991 -1.525 -0.289 595 HD1 HIS 79 HD1 HIS 79 12.979 -1.602 3.454 596 HD2 HIS 79 HD2 HIS 79 12.871 -4.000 0.055 597 HE1 HIS 79 HE1 HIS 79 13.860 -3.813 4.155 598 HE2 HIS 79 HE2 HIS 79 14.240 -4.964 1.958 599 H GLN 80 HN GLN 80 12.563 2.422 0.076 600 HA GLN 80 HA GLN 80 12.274 2.054 -2.703 601 HB2 GLN 80 HB2 GLN 80 12.722 4.541 -1.067 602 HB3 GLN 80 HB1 GLN 80 12.572 4.588 -2.818 603 HG2 GLN 80 HG2 GLN 80 10.367 3.603 -2.679 604 HG3 GLN 80 HG1 GLN 80 10.516 3.484 -0.932 605 HE21 GLN 80 HE21 GLN 80 11.755 6.121 -0.634 606 HE22 GLN 80 HE22 GLN 80 10.500 7.258 -0.920 607 H ALA 81 HN ALA 81 13.523 2.823 -4.388 608 HA ALA 81 HA ALA 81 15.985 1.801 -4.725 609 HB1 ALA 81 HB1 ALA 81 16.201 3.179 -6.702 610 HB2 ALA 81 HB2 ALA 81 14.957 4.274 -6.099 611 HB3 ALA 81 HB3 ALA 81 14.540 2.612 -6.521 612 H28 SXO 101 H28B SXO 101 -4.870 -11.793 4.248 613 H28A SXO 101 H28A SXO 101 -5.259 -11.952 2.536 614 H30 SXO 101 H30A SXO 101 -4.748 -15.214 5.121 615 H30A SXO 101 H30C SXO 101 -4.559 -13.495 5.560 616 H30B SXO 101 H30B SXO 101 -6.170 -14.126 5.200 617 H31 SXO 101 H31A SXO 101 -5.662 -14.279 1.624 618 H31A SXO 101 H31B SXO 101 -6.796 -14.624 2.934 619 H31B SXO 101 H31C SXO 101 -5.396 -15.680 2.673 620 H32 SXO 101 H32A SXO 101 -2.852 -13.447 4.032 621 HO33 SXO 101 H33A SXO 101 -2.791 -15.252 2.095 622 HN36 SXO 101 H36A SXO 101 -2.827 -11.558 2.999 623 H37 SXO 101 H37A SXO 101 -1.598 -11.556 0.445 624 H37A SXO 101 H37B SXO 101 -3.214 -10.831 0.379 625 H38 SXO 101 H38B SXO 101 -1.317 -9.241 0.717 626 H38A SXO 101 H38A SXO 101 -0.993 -9.989 2.261 627 HN41 SXO 101 H41A SXO 101 -2.223 -9.451 3.987 628 H42 SXO 101 H42A SXO 101 -3.631 -7.026 3.973 629 H42A SXO 101 H42B SXO 101 -4.740 -8.366 4.113 630 H43 SXO 101 H43B SXO 101 -4.127 -7.581 6.288 631 H43A SXO 101 H43A SXO 101 -3.480 -9.213 5.971 632 H2 SXO 101 H2A SXO 101 0.110 -5.813 5.864 633 H2A SXO 101 H2B SXO 101 -0.685 -4.251 6.049 634 H3 SXO 101 H3B SXO 101 -0.330 -5.767 3.460 635 H3A SXO 101 H3A SXO 101 -1.053 -4.161 3.637 636 H4 SXO 101 H4A SXO 101 1.770 -4.882 4.422 637 H4A SXO 101 H4B SXO 101 1.046 -3.283 4.491 638 H5 SXO 101 H5B SXO 101 2.532 -3.550 2.549 639 H5A SXO 101 H5A SXO 101 1.504 -4.856 1.962 640 H6 SXO 101 H6A SXO 101 0.583 -2.024 2.443 641 H6A SXO 101 H6B SXO 101 -0.357 -3.334 1.732 642 H7 SXO 101 H7A SXO 101 0.436 -1.874 -0.033 643 H7A SXO 101 H7B SXO 101 1.268 -3.435 -0.145 644 H8 SXO 101 H8C SXO 101 2.354 -0.933 1.148 645 H8A SXO 101 H8A SXO 101 2.820 -1.561 -0.434 646 H8B SXO 101 H8B SXO 101 3.189 -2.481 1.026 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 12.939 11.372 -2.141 2 H2 ALA 1 HT2 ALA 1 12.793 12.197 -3.607 3 H3 ALA 1 HT3 ALA 1 13.963 10.961 -3.420 4 HA ALA 1 HA ALA 1 11.999 10.194 -4.647 5 HB1 ALA 1 HB1 ALA 1 12.316 9.042 -1.862 6 HB2 ALA 1 HB2 ALA 1 13.274 8.606 -3.277 7 HB3 ALA 1 HB3 ALA 1 11.552 8.227 -3.226 8 H ALA 2 HN ALA 2 9.744 9.120 -3.696 9 HA ALA 2 HA ALA 2 8.092 11.373 -3.018 10 HB1 ALA 2 HB1 ALA 2 6.259 9.730 -3.148 11 HB2 ALA 2 HB2 ALA 2 7.440 8.428 -3.292 12 HB3 ALA 2 HB3 ALA 2 7.302 9.637 -4.569 13 H THR 3 HN THR 3 7.372 11.875 -0.983 14 HA THR 3 HA THR 3 8.425 10.104 1.064 15 HB THR 3 HB THR 3 7.269 12.760 1.907 16 HG1 THR 3 HG1 THR 3 8.496 13.550 0.229 17 HG21 THR 3 HG21 THR 3 9.201 12.705 3.413 18 HG22 THR 3 HG22 THR 3 9.821 11.287 2.567 19 HG23 THR 3 HG23 THR 3 8.354 11.157 3.520 20 H GLN 4 HN GLN 4 6.628 10.860 3.262 21 HA GLN 4 HA GLN 4 5.162 8.547 3.078 22 HB2 GLN 4 HB2 GLN 4 5.885 9.636 5.170 23 HB3 GLN 4 HB1 GLN 4 4.635 10.853 4.939 24 HG2 GLN 4 HG2 GLN 4 2.920 9.166 5.082 25 HG3 GLN 4 HG1 GLN 4 4.138 7.906 5.219 26 HE21 GLN 4 HE21 GLN 4 4.414 11.011 6.842 27 HE22 GLN 4 HE22 GLN 4 4.137 10.400 8.422 28 H GLU 5 HN GLU 5 3.924 11.870 2.754 29 HA GLU 5 HA GLU 5 1.252 11.126 2.396 30 HB2 GLU 5 HB2 GLU 5 0.913 13.358 1.408 31 HB3 GLU 5 HB1 GLU 5 1.818 13.423 2.907 32 HG2 GLU 5 HG2 GLU 5 3.871 13.788 1.706 33 HG3 GLU 5 HG1 GLU 5 3.048 13.558 0.161 34 H GLU 6 HN GLU 6 3.855 11.462 0.110 35 HA GLU 6 HA GLU 6 2.238 11.197 -2.222 36 HB2 GLU 6 HB2 GLU 6 5.199 10.807 -1.850 37 HB3 GLU 6 HB1 GLU 6 4.368 10.981 -3.389 38 HG2 GLU 6 HG2 GLU 6 3.744 13.231 -2.855 39 HG3 GLU 6 HG1 GLU 6 4.425 13.069 -1.233 40 H ILE 7 HN ILE 7 4.050 9.054 -0.140 41 HA ILE 7 HA ILE 7 3.946 6.780 -1.673 42 HB ILE 7 HB ILE 7 3.910 7.051 1.351 43 HG12 ILE 7 HG12 ILE 7 5.943 7.889 0.313 44 HG13 ILE 7 HG11 ILE 7 6.290 6.394 1.171 45 HG21 ILE 7 HG21 ILE 7 2.961 4.881 0.794 46 HG22 ILE 7 HG22 ILE 7 4.572 4.687 1.488 47 HG23 ILE 7 HG23 ILE 7 4.337 4.530 -0.254 48 HD11 ILE 7 HD11 ILE 7 6.283 5.179 -0.961 49 HD12 ILE 7 HD12 ILE 7 7.459 6.483 -0.977 50 HD13 ILE 7 HD13 ILE 7 5.925 6.676 -1.813 51 H VAL 8 HN VAL 8 1.846 7.800 1.020 52 HA VAL 8 HA VAL 8 -0.203 5.924 0.882 53 HB VAL 8 HB VAL 8 -0.383 8.849 1.691 54 HG11 VAL 8 HG11 VAL 8 -2.316 8.166 3.022 55 HG12 VAL 8 HG12 VAL 8 -2.190 6.534 2.367 56 HG13 VAL 8 HG13 VAL 8 -2.592 7.884 1.303 57 HG21 VAL 8 HG21 VAL 8 0.092 6.374 3.319 58 HG22 VAL 8 HG22 VAL 8 -0.107 8.006 3.954 59 HG23 VAL 8 HG23 VAL 8 1.289 7.614 2.940 60 H ALA 9 HN ALA 9 -0.121 9.169 -0.608 61 HA ALA 9 HA ALA 9 -2.555 9.075 -1.954 62 HB1 ALA 9 HB1 ALA 9 -1.241 11.114 -1.663 63 HB2 ALA 9 HB2 ALA 9 -1.656 10.854 -3.362 64 HB3 ALA 9 HB3 ALA 9 -0.029 10.481 -2.778 65 H GLY 10 HN GLY 10 0.639 7.944 -2.937 66 HA2 GLY 10 HA2 GLY 10 -0.039 7.347 -5.618 67 HA3 GLY 10 HA1 GLY 10 1.353 6.726 -4.732 68 H LEU 11 HN LEU 11 0.071 5.476 -2.635 69 HA LEU 11 HA LEU 11 -0.541 2.938 -3.598 70 HB2 LEU 11 HB2 LEU 11 -1.352 4.258 -1.010 71 HB3 LEU 11 HB1 LEU 11 -1.558 2.554 -1.344 72 HG LEU 11 HG LEU 11 1.090 3.985 -1.220 73 HD11 LEU 11 HD11 LEU 11 1.377 2.803 0.922 74 HD12 LEU 11 HD12 LEU 11 -0.270 2.181 0.790 75 HD13 LEU 11 HD13 LEU 11 0.006 3.912 0.972 76 HD21 LEU 11 HD21 LEU 11 2.029 1.718 -1.182 77 HD22 LEU 11 HD22 LEU 11 1.123 2.021 -2.665 78 HD23 LEU 11 HD23 LEU 11 0.409 1.048 -1.379 79 H ALA 12 HN ALA 12 -2.632 5.526 -2.502 80 HA ALA 12 HA ALA 12 -5.094 4.274 -2.771 81 HB1 ALA 12 HB1 ALA 12 -6.066 6.441 -2.745 82 HB2 ALA 12 HB2 ALA 12 -4.508 7.194 -3.112 83 HB3 ALA 12 HB3 ALA 12 -4.755 6.347 -1.571 84 H GLU 13 HN GLU 13 -3.086 5.692 -5.250 85 HA GLU 13 HA GLU 13 -5.166 5.899 -7.160 86 HB2 GLU 13 HB2 GLU 13 -2.179 5.784 -7.508 87 HB3 GLU 13 HB1 GLU 13 -3.310 6.055 -8.833 88 HG2 GLU 13 HG2 GLU 13 -4.162 8.036 -7.704 89 HG3 GLU 13 HG1 GLU 13 -3.015 7.775 -6.396 90 H ILE 14 HN ILE 14 -2.920 3.320 -6.370 91 HA ILE 14 HA ILE 14 -4.134 1.738 -8.443 92 HB ILE 14 HB ILE 14 -2.161 0.732 -6.331 93 HG12 ILE 14 HG12 ILE 14 -0.593 0.573 -8.394 94 HG13 ILE 14 HG11 ILE 14 -1.709 1.690 -9.163 95 HG21 ILE 14 HG21 ILE 14 -3.147 -0.569 -8.858 96 HG22 ILE 14 HG22 ILE 14 -3.557 -1.012 -7.196 97 HG23 ILE 14 HG23 ILE 14 -1.900 -1.225 -7.778 98 HD11 ILE 14 HD11 ILE 14 -1.242 3.331 -7.400 99 HD12 ILE 14 HD12 ILE 14 0.212 2.845 -8.276 100 HD13 ILE 14 HD13 ILE 14 -0.106 2.191 -6.671 101 H VAL 15 HN VAL 15 -4.520 2.267 -5.041 102 HA VAL 15 HA VAL 15 -6.222 0.039 -4.640 103 HB VAL 15 HB VAL 15 -6.217 2.641 -3.058 104 HG11 VAL 15 HG11 VAL 15 -7.237 1.317 -1.244 105 HG12 VAL 15 HG12 VAL 15 -7.288 -0.090 -2.311 106 HG13 VAL 15 HG13 VAL 15 -8.259 1.331 -2.683 107 HG21 VAL 15 HG21 VAL 15 -4.780 0.049 -2.503 108 HG22 VAL 15 HG22 VAL 15 -4.831 1.447 -1.428 109 HG23 VAL 15 HG23 VAL 15 -4.040 1.570 -2.999 110 H ASN 16 HN ASN 16 -6.699 3.198 -5.950 111 HA ASN 16 HA ASN 16 -9.540 3.135 -6.159 112 HB2 ASN 16 HB2 ASN 16 -8.399 5.270 -6.347 113 HB3 ASN 16 HB1 ASN 16 -7.430 4.685 -7.695 114 HD21 ASN 16 HD21 ASN 16 -10.546 5.844 -6.701 115 HD22 ASN 16 HD22 ASN 16 -11.184 6.046 -8.300 116 H GLU 17 HN GLU 17 -6.913 1.938 -8.066 117 HA GLU 17 HA GLU 17 -8.330 1.280 -10.428 118 HB2 GLU 17 HB2 GLU 17 -5.841 1.476 -10.169 119 HB3 GLU 17 HB1 GLU 17 -5.863 0.007 -9.215 120 HG2 GLU 17 HG2 GLU 17 -5.137 -0.534 -11.396 121 HG3 GLU 17 HG1 GLU 17 -6.770 -1.174 -11.199 122 H ILE 18 HN ILE 18 -7.597 -0.334 -7.427 123 HA ILE 18 HA ILE 18 -8.749 -2.865 -8.165 124 HB ILE 18 HB ILE 18 -7.685 -1.854 -5.517 125 HG12 ILE 18 HG12 ILE 18 -5.940 -1.915 -7.192 126 HG13 ILE 18 HG11 ILE 18 -5.698 -3.237 -6.057 127 HG21 ILE 18 HG21 ILE 18 -9.219 -3.689 -5.139 128 HG22 ILE 18 HG22 ILE 18 -7.559 -4.205 -4.837 129 HG23 ILE 18 HG23 ILE 18 -8.370 -4.673 -6.332 130 HD11 ILE 18 HD11 ILE 18 -6.894 -3.453 -8.813 131 HD12 ILE 18 HD12 ILE 18 -6.664 -4.790 -7.687 132 HD13 ILE 18 HD13 ILE 18 -5.263 -3.936 -8.341 133 H ALA 19 HN ALA 19 -9.613 -0.316 -5.758 134 HA ALA 19 HA ALA 19 -12.227 -1.655 -5.440 135 HB1 ALA 19 HB1 ALA 19 -10.735 -0.029 -3.412 136 HB2 ALA 19 HB2 ALA 19 -10.777 -1.789 -3.495 137 HB3 ALA 19 HB3 ALA 19 -12.261 -0.886 -3.170 138 H GLY 20 HN GLY 20 -10.945 1.079 -6.763 139 HA2 GLY 20 HA2 GLY 20 -11.922 2.990 -7.564 140 HA3 GLY 20 HA1 GLY 20 -13.461 2.284 -7.123 141 H ILE 21 HN ILE 21 -11.016 2.925 -4.698 142 HA ILE 21 HA ILE 21 -12.863 4.740 -3.435 143 HB ILE 21 HB ILE 21 -10.968 5.040 -1.718 144 HG12 ILE 21 HG12 ILE 21 -9.513 2.945 -1.521 145 HG13 ILE 21 HG11 ILE 21 -9.912 2.642 -3.203 146 HG21 ILE 21 HG21 ILE 21 -12.458 2.464 -1.938 147 HG22 ILE 21 HG22 ILE 21 -12.915 3.971 -1.116 148 HG23 ILE 21 HG23 ILE 21 -11.573 3.014 -0.508 149 HD11 ILE 21 HD11 ILE 21 -8.482 5.066 -2.126 150 HD12 ILE 21 HD12 ILE 21 -8.886 4.778 -3.819 151 HD13 ILE 21 HD13 ILE 21 -7.749 3.714 -2.991 152 HA PRO 22 HA PRO 22 -11.063 8.510 -4.784 153 HB2 PRO 22 HB2 PRO 22 -11.627 10.102 -2.631 154 HB3 PRO 22 HB1 PRO 22 -12.833 9.657 -3.843 155 HG2 PRO 22 HG2 PRO 22 -12.383 8.538 -1.118 156 HG3 PRO 22 HG1 PRO 22 -13.903 8.833 -1.975 157 HD2 PRO 22 HD2 PRO 22 -12.753 6.375 -1.741 158 HD3 PRO 22 HD1 PRO 22 -13.800 6.843 -3.095 159 H VAL 23 HN VAL 23 -9.149 9.615 -4.514 160 HA VAL 23 HA VAL 23 -7.259 8.277 -2.788 161 HB VAL 23 HB VAL 23 -5.493 9.566 -3.906 162 HG11 VAL 23 HG11 VAL 23 -5.810 8.639 -6.159 163 HG12 VAL 23 HG12 VAL 23 -7.518 8.367 -5.779 164 HG13 VAL 23 HG13 VAL 23 -6.272 7.499 -4.891 165 HG21 VAL 23 HG21 VAL 23 -7.760 10.889 -5.416 166 HG22 VAL 23 HG22 VAL 23 -6.040 11.079 -5.767 167 HG23 VAL 23 HG23 VAL 23 -6.699 11.675 -4.244 168 H GLU 24 HN GLU 24 -9.306 10.478 -2.039 169 HA GLU 24 HA GLU 24 -7.526 12.164 -0.420 170 HB2 GLU 24 HB2 GLU 24 -10.521 12.292 -0.549 171 HB3 GLU 24 HB1 GLU 24 -9.403 13.536 -0.031 172 HG2 GLU 24 HG2 GLU 24 -8.657 13.829 -2.330 173 HG3 GLU 24 HG1 GLU 24 -9.775 12.559 -2.848 174 H ASP 25 HN ASP 25 -9.493 9.387 -0.333 175 HA ASP 25 HA ASP 25 -10.386 9.595 2.392 176 HB2 ASP 25 HB2 ASP 25 -11.616 8.232 0.595 177 HB3 ASP 25 HB1 ASP 25 -10.266 7.120 0.667 178 H VAL 26 HN VAL 26 -7.946 7.880 0.616 179 HA VAL 26 HA VAL 26 -6.953 6.377 2.808 180 HB VAL 26 HB VAL 26 -5.601 6.971 0.162 181 HG11 VAL 26 HG11 VAL 26 -5.173 4.737 2.154 182 HG12 VAL 26 HG12 VAL 26 -4.070 6.080 1.849 183 HG13 VAL 26 HG13 VAL 26 -4.375 4.889 0.587 184 HG21 VAL 26 HG21 VAL 26 -6.543 4.834 -0.579 185 HG22 VAL 26 HG22 VAL 26 -7.806 5.998 -0.178 186 HG23 VAL 26 HG23 VAL 26 -7.417 4.696 0.947 187 H LYS 27 HN LYS 27 -6.521 7.684 4.387 188 HA LYS 27 HA LYS 27 -4.100 9.379 4.262 189 HB2 LYS 27 HB2 LYS 27 -6.311 9.140 6.330 190 HB3 LYS 27 HB1 LYS 27 -4.872 10.130 6.512 191 HG2 LYS 27 HG2 LYS 27 -6.967 10.489 4.374 192 HG3 LYS 27 HG1 LYS 27 -6.828 11.451 5.845 193 HD2 LYS 27 HD2 LYS 27 -4.599 12.188 5.167 194 HD3 LYS 27 HD1 LYS 27 -4.714 11.207 3.707 195 HE2 LYS 27 HE2 LYS 27 -6.587 12.551 2.938 196 HE3 LYS 27 HE1 LYS 27 -6.528 13.506 4.421 197 HZ1 LYS 27 HZ1 LYS 27 -4.360 13.334 2.392 198 HZ2 LYS 27 HZ2 LYS 27 -4.300 14.218 3.818 199 HZ3 LYS 27 HZ3 LYS 27 -5.411 14.645 2.620 200 H LEU 28 HN LEU 28 -3.459 9.037 6.981 201 HA LEU 28 HA LEU 28 -1.903 6.667 6.620 202 HB2 LEU 28 HB2 LEU 28 -2.064 8.656 8.863 203 HB3 LEU 28 HB1 LEU 28 -0.885 7.355 8.766 204 HG LEU 28 HG LEU 28 -1.160 9.482 6.652 205 HD11 LEU 28 HD11 LEU 28 0.757 9.342 8.967 206 HD12 LEU 28 HD12 LEU 28 -0.561 10.507 8.727 207 HD13 LEU 28 HD13 LEU 28 0.805 10.487 7.612 208 HD21 LEU 28 HD21 LEU 28 -0.148 7.410 5.911 209 HD22 LEU 28 HD22 LEU 28 0.986 7.464 7.262 210 HD23 LEU 28 HD23 LEU 28 1.056 8.695 6.001 211 H ASP 29 HN ASP 29 -4.661 7.533 8.525 212 HA ASP 29 HA ASP 29 -4.535 5.010 9.957 213 HB2 ASP 29 HB2 ASP 29 -6.605 7.212 10.131 214 HB3 ASP 29 HB1 ASP 29 -6.621 5.747 11.105 215 H LYS 30 HN LYS 30 -4.552 4.175 7.730 216 HA LYS 30 HA LYS 30 -7.226 3.148 7.167 217 HB2 LYS 30 HB2 LYS 30 -5.236 4.118 5.094 218 HB3 LYS 30 HB1 LYS 30 -6.700 3.216 4.733 219 HG2 LYS 30 HG2 LYS 30 -6.690 5.841 6.156 220 HG3 LYS 30 HG1 LYS 30 -6.824 5.705 4.400 221 HD2 LYS 30 HD2 LYS 30 -8.901 4.519 4.585 222 HD3 LYS 30 HD1 LYS 30 -8.711 4.351 6.332 223 HE2 LYS 30 HE2 LYS 30 -9.051 6.656 6.689 224 HE3 LYS 30 HE1 LYS 30 -8.858 7.020 4.978 225 HZ1 LYS 30 HZ1 LYS 30 -11.155 7.092 5.779 226 HZ2 LYS 30 HZ2 LYS 30 -11.125 5.417 6.062 227 HZ3 LYS 30 HZ3 LYS 30 -10.901 6.050 4.488 228 H SER 31 HN SER 31 -7.091 1.062 6.078 229 HA SER 31 HA SER 31 -4.568 -0.286 6.312 230 HB2 SER 31 HB2 SER 31 -5.835 -2.118 7.528 231 HB3 SER 31 HB1 SER 31 -5.490 -0.653 8.457 232 HG SER 31 HG SER 31 -7.540 -0.789 8.833 233 H PHE 32 HN PHE 32 -4.987 -2.611 5.347 234 HA PHE 32 HA PHE 32 -6.161 -1.973 2.753 235 HB2 PHE 32 HB2 PHE 32 -4.273 -4.129 3.678 236 HB3 PHE 32 HB1 PHE 32 -4.805 -3.880 2.015 237 HD1 PHE 32 HD2 PHE 32 -4.062 -1.920 0.745 238 HD2 PHE 32 HD1 PHE 32 -2.671 -2.659 4.701 239 HE1 PHE 32 HE2 PHE 32 -2.229 -0.318 0.399 240 HE2 PHE 32 HE1 PHE 32 -0.836 -1.061 4.359 241 HZ PHE 32 HZ PHE 32 -0.670 0.172 2.206 242 H THR 33 HN THR 33 -7.723 -2.852 5.133 243 HA THR 33 HA THR 33 -9.594 -4.120 3.560 244 HB THR 33 HB THR 33 -8.627 -6.237 3.820 245 HG1 THR 33 HG1 THR 33 -10.324 -6.308 6.063 246 HG21 THR 33 HG21 THR 33 -8.139 -5.697 6.757 247 HG22 THR 33 HG22 THR 33 -6.918 -5.747 5.483 248 HG23 THR 33 HG23 THR 33 -7.783 -7.214 5.931 249 H ASP 34 HN ASP 34 -8.755 -3.617 7.029 250 HA ASP 34 HA ASP 34 -11.450 -3.419 7.810 251 HB2 ASP 34 HB2 ASP 34 -9.716 -3.833 9.462 252 HB3 ASP 34 HB1 ASP 34 -9.006 -2.254 9.145 253 H ASP 35 HN ASP 35 -9.160 -0.804 7.052 254 HA ASP 35 HA ASP 35 -11.425 1.051 7.145 255 HB2 ASP 35 HB2 ASP 35 -8.473 1.513 7.219 256 HB3 ASP 35 HB1 ASP 35 -9.546 2.814 6.714 257 H LEU 36 HN LEU 36 -10.255 -0.805 4.790 258 HA LEU 36 HA LEU 36 -10.917 1.262 2.834 259 HB2 LEU 36 HB2 LEU 36 -8.697 -0.744 2.554 260 HB3 LEU 36 HB1 LEU 36 -9.382 0.103 1.182 261 HG LEU 36 HG LEU 36 -7.977 1.388 3.525 262 HD11 LEU 36 HD11 LEU 36 -6.454 0.184 2.056 263 HD12 LEU 36 HD12 LEU 36 -6.241 1.928 1.884 264 HD13 LEU 36 HD13 LEU 36 -7.121 1.019 0.655 265 HD21 LEU 36 HD21 LEU 36 -9.091 2.582 0.998 266 HD22 LEU 36 HD22 LEU 36 -8.155 3.450 2.223 267 HD23 LEU 36 HD23 LEU 36 -9.745 2.785 2.622 268 H ASP 37 HN ASP 37 -11.364 0.352 0.670 269 HA ASP 37 HA ASP 37 -13.705 -1.361 0.950 270 HB2 ASP 37 HB2 ASP 37 -13.647 0.750 -0.440 271 HB3 ASP 37 HB1 ASP 37 -12.554 -0.066 -1.543 272 H VAL 38 HN VAL 38 -10.444 -1.745 0.272 273 HA VAL 38 HA VAL 38 -10.678 -3.800 -1.656 274 HB VAL 38 HB VAL 38 -8.219 -4.158 -1.125 275 HG11 VAL 38 HG11 VAL 38 -9.125 -1.480 -2.138 276 HG12 VAL 38 HG12 VAL 38 -8.988 -2.981 -3.061 277 HG13 VAL 38 HG13 VAL 38 -7.536 -2.204 -2.423 278 HG21 VAL 38 HG21 VAL 38 -8.126 -3.110 1.060 279 HG22 VAL 38 HG22 VAL 38 -8.595 -1.562 0.362 280 HG23 VAL 38 HG23 VAL 38 -7.040 -2.285 -0.059 281 H ASP 39 HN ASP 39 -11.039 -5.741 -1.311 282 HA ASP 39 HA ASP 39 -11.112 -6.924 1.275 283 HB2 ASP 39 HB2 ASP 39 -11.185 -8.013 -1.529 284 HB3 ASP 39 HB1 ASP 39 -11.369 -9.045 -0.105 285 H SER 40 HN SER 40 -9.618 -8.723 1.842 286 HA SER 40 HA SER 40 -6.990 -7.753 1.596 287 HB2 SER 40 HB2 SER 40 -6.390 -9.745 2.921 288 HB3 SER 40 HB1 SER 40 -7.799 -8.859 3.551 289 H LEU 41 HN LEU 41 -8.572 -10.633 0.268 290 HA LEU 41 HA LEU 41 -6.321 -11.534 -1.107 291 HB2 LEU 41 HB2 LEU 41 -9.242 -12.081 -1.556 292 HB3 LEU 41 HB1 LEU 41 -8.050 -12.713 -2.665 293 HG LEU 41 HG LEU 41 -6.983 -13.895 -0.722 294 HD11 LEU 41 HD11 LEU 41 -8.292 -14.269 1.287 295 HD12 LEU 41 HD12 LEU 41 -9.490 -13.102 0.726 296 HD13 LEU 41 HD13 LEU 41 -7.850 -12.572 1.102 297 HD21 LEU 41 HD21 LEU 41 -9.838 -14.597 -1.354 298 HD22 LEU 41 HD22 LEU 41 -8.636 -15.685 -0.655 299 HD23 LEU 41 HD23 LEU 41 -8.413 -15.054 -2.286 300 H SER 42 HN SER 42 -8.503 -9.008 -1.795 301 HA SER 42 HA SER 42 -7.935 -8.739 -4.594 302 HB2 SER 42 HB2 SER 42 -9.224 -6.895 -2.611 303 HB3 SER 42 HB1 SER 42 -9.332 -6.729 -4.377 304 HG SER 42 HG SER 42 -10.101 -9.186 -3.837 305 H MET 43 HN MET 43 -6.818 -7.369 -1.527 306 HA MET 43 HA MET 43 -5.370 -5.144 -2.457 307 HB2 MET 43 HB2 MET 43 -6.047 -5.641 -0.086 308 HB3 MET 43 HB1 MET 43 -4.791 -6.861 -0.036 309 HG2 MET 43 HG2 MET 43 -4.254 -3.962 -0.598 310 HG3 MET 43 HG1 MET 43 -4.294 -4.626 1.024 311 HE1 MET 43 HE1 MET 43 -1.185 -7.078 0.892 312 HE2 MET 43 HE2 MET 43 -2.871 -7.489 0.561 313 HE3 MET 43 HE3 MET 43 -2.454 -6.425 1.906 314 H VAL 44 HN VAL 44 -4.658 -8.489 -2.446 315 HA VAL 44 HA VAL 44 -1.894 -8.429 -2.683 316 HB VAL 44 HB VAL 44 -3.724 -10.407 -4.080 317 HG11 VAL 44 HG11 VAL 44 -0.885 -10.716 -3.108 318 HG12 VAL 44 HG12 VAL 44 -1.397 -10.595 -4.789 319 HG13 VAL 44 HG13 VAL 44 -1.875 -11.990 -3.822 320 HG21 VAL 44 HG21 VAL 44 -4.344 -10.216 -1.748 321 HG22 VAL 44 HG22 VAL 44 -2.670 -10.440 -1.250 322 HG23 VAL 44 HG23 VAL 44 -3.546 -11.760 -2.033 323 H GLU 45 HN GLU 45 -4.277 -7.465 -5.010 324 HA GLU 45 HA GLU 45 -2.451 -7.515 -7.223 325 HB2 GLU 45 HB2 GLU 45 -5.206 -6.313 -6.977 326 HB3 GLU 45 HB1 GLU 45 -4.281 -6.404 -8.469 327 HG2 GLU 45 HG2 GLU 45 -5.236 -8.745 -6.841 328 HG3 GLU 45 HG1 GLU 45 -5.955 -8.162 -8.341 329 H VAL 46 HN VAL 46 -3.431 -5.151 -4.797 330 HA VAL 46 HA VAL 46 -2.225 -3.039 -6.324 331 HB VAL 46 HB VAL 46 -4.194 -2.408 -5.018 332 HG11 VAL 46 HG11 VAL 46 -4.209 -2.292 -2.599 333 HG12 VAL 46 HG12 VAL 46 -2.639 -3.101 -2.559 334 HG13 VAL 46 HG13 VAL 46 -4.053 -3.947 -3.193 335 HG21 VAL 46 HG21 VAL 46 -1.713 -1.111 -3.901 336 HG22 VAL 46 HG22 VAL 46 -3.340 -0.443 -3.814 337 HG23 VAL 46 HG23 VAL 46 -2.557 -0.653 -5.380 338 H VAL 47 HN VAL 47 -1.396 -5.055 -3.582 339 HA VAL 47 HA VAL 47 0.885 -3.608 -2.838 340 HB VAL 47 HB VAL 47 -0.082 -5.322 -1.359 341 HG11 VAL 47 HG11 VAL 47 1.040 -7.362 -3.253 342 HG12 VAL 47 HG12 VAL 47 -0.665 -7.040 -2.937 343 HG13 VAL 47 HG13 VAL 47 0.361 -7.699 -1.661 344 HG21 VAL 47 HG21 VAL 47 1.993 -6.332 -0.541 345 HG22 VAL 47 HG22 VAL 47 2.186 -4.625 -0.938 346 HG23 VAL 47 HG23 VAL 47 2.798 -5.862 -2.037 347 H VAL 48 HN VAL 48 0.555 -6.195 -5.220 348 HA VAL 48 HA VAL 48 3.329 -6.353 -5.776 349 HB VAL 48 HB VAL 48 1.706 -8.183 -6.283 350 HG11 VAL 48 HG11 VAL 48 -0.146 -6.941 -7.151 351 HG12 VAL 48 HG12 VAL 48 0.377 -8.140 -8.335 352 HG13 VAL 48 HG13 VAL 48 0.801 -6.443 -8.553 353 HG21 VAL 48 HG21 VAL 48 2.675 -8.881 -8.436 354 HG22 VAL 48 HG22 VAL 48 3.888 -8.254 -7.319 355 HG23 VAL 48 HG23 VAL 48 3.319 -7.252 -8.652 356 H ALA 49 HN ALA 49 0.796 -4.288 -6.899 357 HA ALA 49 HA ALA 49 2.244 -3.305 -9.184 358 HB1 ALA 49 HB1 ALA 49 0.392 -1.733 -9.419 359 HB2 ALA 49 HB2 ALA 49 -0.236 -2.227 -7.847 360 HB3 ALA 49 HB3 ALA 49 -0.204 -3.376 -9.186 361 H ALA 50 HN ALA 50 1.805 -2.439 -5.856 362 HA ALA 50 HA ALA 50 2.696 0.207 -6.011 363 HB1 ALA 50 HB1 ALA 50 1.467 -0.696 -4.089 364 HB2 ALA 50 HB2 ALA 50 2.969 0.083 -3.594 365 HB3 ALA 50 HB3 ALA 50 2.868 -1.679 -3.661 366 H GLU 51 HN GLU 51 4.418 -2.807 -5.858 367 HA GLU 51 HA GLU 51 6.923 -1.947 -5.009 368 HB2 GLU 51 HB2 GLU 51 6.328 -4.057 -7.081 369 HB3 GLU 51 HB1 GLU 51 7.861 -3.847 -6.251 370 HG2 GLU 51 HG2 GLU 51 6.644 -4.256 -4.107 371 HG3 GLU 51 HG1 GLU 51 5.236 -4.693 -5.074 372 H GLU 52 HN GLU 52 5.789 -2.213 -8.378 373 HA GLU 52 HA GLU 52 8.129 -1.067 -9.495 374 HB2 GLU 52 HB2 GLU 52 6.804 -0.836 -11.563 375 HB3 GLU 52 HB1 GLU 52 6.668 -2.444 -10.860 376 HG2 GLU 52 HG2 GLU 52 4.492 -2.100 -10.164 377 HG3 GLU 52 HG1 GLU 52 4.642 -0.346 -10.234 378 H ARG 53 HN ARG 53 5.095 0.258 -8.390 379 HA ARG 53 HA ARG 53 5.392 2.693 -9.762 380 HB2 ARG 53 HB2 ARG 53 3.488 1.924 -7.564 381 HB3 ARG 53 HB1 ARG 53 3.435 3.461 -8.405 382 HG2 ARG 53 HG2 ARG 53 3.109 0.760 -9.723 383 HG3 ARG 53 HG1 ARG 53 1.783 1.808 -9.238 384 HD2 ARG 53 HD2 ARG 53 2.085 2.141 -11.572 385 HD3 ARG 53 HD1 ARG 53 2.751 3.560 -10.777 386 HE ARG 53 HE ARG 53 4.300 1.367 -11.983 387 HH11 ARG 53 HH11 ARG 53 4.093 4.779 -10.906 388 HH12 ARG 53 HH12 ARG 53 5.504 5.273 -11.701 389 HH21 ARG 53 HH21 ARG 53 6.273 2.084 -13.130 390 HH22 ARG 53 HH22 ARG 53 6.765 3.709 -13.005 391 H PHE 54 HN PHE 54 6.192 1.631 -6.536 392 HA PHE 54 HA PHE 54 6.990 4.344 -5.886 393 HB2 PHE 54 HB2 PHE 54 6.561 1.947 -4.130 394 HB3 PHE 54 HB1 PHE 54 7.220 3.480 -3.549 395 HD1 PHE 54 HD2 PHE 54 5.899 5.539 -3.806 396 HD2 PHE 54 HD1 PHE 54 4.270 1.683 -4.468 397 HE1 PHE 54 HE2 PHE 54 3.644 6.465 -3.632 398 HE2 PHE 54 HE1 PHE 54 2.014 2.604 -4.305 399 HZ PHE 54 HZ PHE 54 1.706 4.995 -3.887 400 H ASP 55 HN ASP 55 8.330 1.862 -7.361 401 HA ASP 55 HA ASP 55 10.477 1.268 -7.896 402 HB2 ASP 55 HB2 ASP 55 10.721 3.749 -8.042 403 HB3 ASP 55 HB1 ASP 55 11.171 3.789 -6.345 404 H VAL 56 HN VAL 56 9.265 0.142 -5.661 405 HA VAL 56 HA VAL 56 11.494 -0.287 -3.799 406 HB VAL 56 HB VAL 56 9.663 1.248 -2.960 407 HG11 VAL 56 HG11 VAL 56 7.572 0.291 -2.144 408 HG12 VAL 56 HG12 VAL 56 7.972 -1.219 -2.964 409 HG13 VAL 56 HG13 VAL 56 7.732 0.257 -3.900 410 HG21 VAL 56 HG21 VAL 56 9.497 0.243 -0.713 411 HG22 VAL 56 HG22 VAL 56 11.132 0.210 -1.373 412 HG23 VAL 56 HG23 VAL 56 10.150 -1.260 -1.367 413 H LYS 57 HN LYS 57 10.865 -2.384 -2.405 414 HA LYS 57 HA LYS 57 9.601 -4.388 -4.144 415 HB2 LYS 57 HB2 LYS 57 11.916 -4.622 -2.235 416 HB3 LYS 57 HB1 LYS 57 11.029 -6.006 -2.834 417 HG2 LYS 57 HG2 LYS 57 11.753 -5.526 -5.087 418 HG3 LYS 57 HG1 LYS 57 12.573 -4.060 -4.528 419 HD2 LYS 57 HD2 LYS 57 14.088 -6.027 -4.807 420 HD3 LYS 57 HD1 LYS 57 14.088 -5.338 -3.180 421 HE2 LYS 57 HE2 LYS 57 12.474 -7.104 -2.491 422 HE3 LYS 57 HE1 LYS 57 12.618 -7.817 -4.095 423 HZ1 LYS 57 HZ1 LYS 57 14.050 -8.844 -2.342 424 HZ2 LYS 57 HZ2 LYS 57 14.916 -7.392 -2.284 425 HZ3 LYS 57 HZ3 LYS 57 14.885 -8.300 -3.712 426 H ILE 58 HN ILE 58 8.113 -5.667 -3.123 427 HA ILE 58 HA ILE 58 7.916 -5.376 -0.237 428 HB ILE 58 HB ILE 58 5.441 -5.359 -2.021 429 HG12 ILE 58 HG12 ILE 58 6.657 -3.063 -0.454 430 HG13 ILE 58 HG11 ILE 58 6.779 -3.243 -2.197 431 HG21 ILE 58 HG21 ILE 58 4.287 -4.814 0.092 432 HG22 ILE 58 HG22 ILE 58 5.825 -4.902 0.951 433 HG23 ILE 58 HG23 ILE 58 5.146 -6.351 0.211 434 HD11 ILE 58 HD11 ILE 58 4.353 -3.051 -2.391 435 HD12 ILE 58 HD12 ILE 58 5.060 -1.639 -1.601 436 HD13 ILE 58 HD13 ILE 58 4.231 -2.865 -0.644 437 HA PRO 59 HA PRO 59 8.261 -9.792 -1.349 438 HB2 PRO 59 HB2 PRO 59 9.252 -9.817 1.440 439 HB3 PRO 59 HB1 PRO 59 10.009 -10.455 -0.023 440 HG2 PRO 59 HG2 PRO 59 10.964 -8.267 1.143 441 HG3 PRO 59 HG1 PRO 59 10.882 -8.388 -0.626 442 HD2 PRO 59 HD2 PRO 59 9.035 -6.972 1.255 443 HD3 PRO 59 HD1 PRO 59 9.721 -6.410 -0.283 444 H ASP 60 HN ASP 60 7.127 -11.543 -0.630 445 HA ASP 60 HA ASP 60 4.527 -11.190 0.239 446 HB2 ASP 60 HB2 ASP 60 6.230 -13.684 0.350 447 HB3 ASP 60 HB1 ASP 60 4.507 -13.671 0.680 448 H ASP 61 HN ASP 61 7.333 -12.162 2.145 449 HA ASP 61 HA ASP 61 5.929 -12.612 4.566 450 HB2 ASP 61 HB2 ASP 61 8.194 -13.493 4.196 451 HB3 ASP 61 HB1 ASP 61 8.832 -11.851 4.174 452 H ASP 62 HN ASP 62 7.527 -9.784 3.229 453 HA ASP 62 HA ASP 62 7.131 -8.205 5.555 454 HB2 ASP 62 HB2 ASP 62 8.061 -7.542 2.803 455 HB3 ASP 62 HB1 ASP 62 7.535 -6.236 3.860 456 H VAL 63 HN VAL 63 5.245 -8.800 2.739 457 HA VAL 63 HA VAL 63 3.297 -6.788 2.982 458 HB VAL 63 HB VAL 63 2.835 -9.700 2.209 459 HG11 VAL 63 HG11 VAL 63 1.180 -7.249 1.604 460 HG12 VAL 63 HG12 VAL 63 0.751 -8.559 2.707 461 HG13 VAL 63 HG13 VAL 63 0.881 -8.871 0.977 462 HG21 VAL 63 HG21 VAL 63 3.045 -8.949 -0.114 463 HG22 VAL 63 HG22 VAL 63 4.535 -8.685 0.793 464 HG23 VAL 63 HG23 VAL 63 3.456 -7.331 0.451 465 H LYS 64 HN LYS 64 3.238 -10.086 4.227 466 HA LYS 64 HA LYS 64 0.892 -9.897 5.781 467 HB2 LYS 64 HB2 LYS 64 3.221 -11.798 6.000 468 HB3 LYS 64 HB1 LYS 64 1.624 -12.050 6.702 469 HG2 LYS 64 HG2 LYS 64 0.611 -12.255 4.592 470 HG3 LYS 64 HG1 LYS 64 2.031 -11.611 3.766 471 HD2 LYS 64 HD2 LYS 64 3.292 -13.612 4.453 472 HD3 LYS 64 HD1 LYS 64 1.822 -14.259 5.196 473 HE2 LYS 64 HE2 LYS 64 0.704 -14.305 3.073 474 HE3 LYS 64 HE1 LYS 64 2.053 -13.478 2.297 475 HZ1 LYS 64 HZ1 LYS 64 2.213 -16.182 3.525 476 HZ2 LYS 64 HZ2 LYS 64 3.435 -15.374 2.693 477 HZ3 LYS 64 HZ3 LYS 64 2.042 -15.866 1.868 478 H ASN 65 HN ASN 65 3.977 -8.716 6.397 479 HA ASN 65 HA ASN 65 3.793 -8.783 9.285 480 HB2 ASN 65 HB2 ASN 65 5.979 -9.101 8.266 481 HB3 ASN 65 HB1 ASN 65 5.840 -7.579 7.401 482 HD21 ASN 65 HD21 ASN 65 6.569 -5.755 8.372 483 HD22 ASN 65 HD22 ASN 65 7.141 -5.705 10.005 484 H LEU 66 HN LEU 66 2.610 -6.778 6.809 485 HA LEU 66 HA LEU 66 2.660 -4.388 8.485 486 HB2 LEU 66 HB2 LEU 66 1.667 -4.760 5.659 487 HB3 LEU 66 HB1 LEU 66 1.882 -3.238 6.497 488 HG LEU 66 HG LEU 66 4.097 -5.114 5.676 489 HD11 LEU 66 HD11 LEU 66 3.208 -2.482 4.572 490 HD12 LEU 66 HD12 LEU 66 3.051 -4.055 3.791 491 HD13 LEU 66 HD13 LEU 66 4.657 -3.359 4.068 492 HD21 LEU 66 HD21 LEU 66 4.619 -3.826 7.712 493 HD22 LEU 66 HD22 LEU 66 4.267 -2.331 6.823 494 HD23 LEU 66 HD23 LEU 66 5.612 -3.352 6.336 495 H LYS 67 HN LYS 67 0.342 -3.150 7.894 496 HA LYS 67 HA LYS 67 -1.911 -4.846 7.860 497 HB2 LYS 67 HB2 LYS 67 -2.755 -4.350 10.172 498 HB3 LYS 67 HB1 LYS 67 -1.343 -5.390 10.131 499 HG2 LYS 67 HG2 LYS 67 -0.053 -3.167 10.473 500 HG3 LYS 67 HG1 LYS 67 -1.605 -2.578 11.077 501 HD2 LYS 67 HD2 LYS 67 -0.312 -3.403 12.942 502 HD3 LYS 67 HD1 LYS 67 -1.655 -4.511 12.651 503 HE2 LYS 67 HE2 LYS 67 0.340 -5.797 13.035 504 HE3 LYS 67 HE1 LYS 67 -0.132 -5.960 11.347 505 HZ1 LYS 67 HZ1 LYS 67 2.174 -5.625 11.290 506 HZ2 LYS 67 HZ2 LYS 67 2.142 -4.511 12.517 507 HZ3 LYS 67 HZ3 LYS 67 1.641 -4.021 11.010 508 H THR 68 HN THR 68 -0.909 -1.599 9.056 509 HA THR 68 HA THR 68 -3.206 -0.609 7.556 510 HB THR 68 HB THR 68 -2.990 1.477 8.822 511 HG1 THR 68 HG1 THR 68 -0.658 0.245 9.950 512 HG21 THR 68 HG21 THR 68 -3.460 0.673 11.109 513 HG22 THR 68 HG22 THR 68 -2.862 -0.925 10.648 514 HG23 THR 68 HG23 THR 68 -4.313 -0.272 9.891 515 H VAL 69 HN VAL 69 -2.546 1.791 6.733 516 HA VAL 69 HA VAL 69 -0.343 1.297 4.963 517 HB VAL 69 HB VAL 69 -0.798 3.472 3.929 518 HG11 VAL 69 HG11 VAL 69 -3.337 1.953 4.479 519 HG12 VAL 69 HG12 VAL 69 -2.167 1.599 3.214 520 HG13 VAL 69 HG13 VAL 69 -3.095 3.101 3.161 521 HG21 VAL 69 HG21 VAL 69 -2.607 4.904 4.716 522 HG22 VAL 69 HG22 VAL 69 -1.329 4.741 5.919 523 HG23 VAL 69 HG23 VAL 69 -2.837 3.844 6.104 524 H GLY 70 HN GLY 70 -0.721 2.543 8.037 525 HA2 GLY 70 HA2 GLY 70 1.507 4.323 8.105 526 HA3 GLY 70 HA1 GLY 70 0.671 3.620 9.490 527 H ASP 71 HN ASP 71 1.050 0.947 8.212 528 HA ASP 71 HA ASP 71 3.661 0.288 9.303 529 HB2 ASP 71 HB2 ASP 71 1.694 -1.418 7.745 530 HB3 ASP 71 HB1 ASP 71 3.141 -2.004 8.533 531 H ALA 72 HN ALA 72 2.020 0.346 6.233 532 HA ALA 72 HA ALA 72 3.999 -0.833 4.637 533 HB1 ALA 72 HB1 ALA 72 1.633 -0.748 4.020 534 HB2 ALA 72 HB2 ALA 72 2.666 -0.090 2.750 535 HB3 ALA 72 HB3 ALA 72 1.762 0.997 3.802 536 H THR 73 HN THR 73 3.121 2.549 5.125 537 HA THR 73 HA THR 73 4.645 3.819 3.273 538 HB THR 73 HB THR 73 4.805 5.608 5.155 539 HG1 THR 73 HG1 THR 73 2.666 4.243 6.273 540 HG21 THR 73 HG21 THR 73 3.283 5.702 3.247 541 HG22 THR 73 HG22 THR 73 2.476 6.240 4.721 542 HG23 THR 73 HG23 THR 73 2.160 4.626 4.077 543 H LYS 74 HN LYS 74 5.580 3.126 6.582 544 HA LYS 74 HA LYS 74 8.086 4.328 6.625 545 HB2 LYS 74 HB2 LYS 74 7.538 1.803 8.169 546 HB3 LYS 74 HB1 LYS 74 8.532 3.169 8.629 547 HG2 LYS 74 HG2 LYS 74 5.517 3.041 8.569 548 HG3 LYS 74 HG1 LYS 74 6.565 3.150 9.967 549 HD2 LYS 74 HD2 LYS 74 7.231 5.411 9.329 550 HD3 LYS 74 HD1 LYS 74 6.240 5.301 7.867 551 HE2 LYS 74 HE2 LYS 74 4.242 4.952 9.258 552 HE3 LYS 74 HE1 LYS 74 5.231 5.101 10.703 553 HZ1 LYS 74 HZ1 LYS 74 4.634 7.229 8.716 554 HZ2 LYS 74 HZ2 LYS 74 5.733 7.427 9.961 555 HZ3 LYS 74 HZ3 LYS 74 4.091 7.107 10.295 556 H TYR 75 HN TYR 75 7.203 1.067 5.649 557 HA TYR 75 HA TYR 75 9.909 0.174 5.317 558 HB2 TYR 75 HB2 TYR 75 8.091 -1.399 5.847 559 HB3 TYR 75 HB1 TYR 75 7.303 -1.008 4.327 560 HD1 TYR 75 HD1 TYR 75 10.254 -2.641 5.837 561 HD2 TYR 75 HD2 TYR 75 7.966 -2.076 2.296 562 HE1 TYR 75 HE1 TYR 75 11.484 -4.472 4.756 563 HE2 TYR 75 HE2 TYR 75 9.177 -3.895 1.203 564 HH TYR 75 HH TYR 75 10.991 -6.101 2.894 565 H ILE 76 HN ILE 76 7.307 1.175 3.159 566 HA ILE 76 HA ILE 76 8.568 0.760 0.688 567 HB ILE 76 HB ILE 76 6.491 2.841 1.429 568 HG12 ILE 76 HG12 ILE 76 6.154 0.132 0.131 569 HG13 ILE 76 HG11 ILE 76 5.852 0.470 1.835 570 HG21 ILE 76 HG21 ILE 76 5.965 2.900 -0.974 571 HG22 ILE 76 HG22 ILE 76 7.317 1.812 -1.294 572 HG23 ILE 76 HG23 ILE 76 7.619 3.429 -0.660 573 HD11 ILE 76 HD11 ILE 76 4.161 2.070 1.217 574 HD12 ILE 76 HD12 ILE 76 3.787 0.462 0.572 575 HD13 ILE 76 HD13 ILE 76 4.437 1.730 -0.489 576 H LEU 77 HN LEU 77 8.144 3.861 2.419 577 HA LEU 77 HA LEU 77 9.644 5.266 0.564 578 HB2 LEU 77 HB2 LEU 77 9.672 7.167 2.207 579 HB3 LEU 77 HB1 LEU 77 8.101 6.553 1.770 580 HG LEU 77 HG LEU 77 8.088 5.317 3.977 581 HD11 LEU 77 HD11 LEU 77 10.446 7.078 4.599 582 HD12 LEU 77 HD12 LEU 77 10.453 5.317 4.483 583 HD13 LEU 77 HD13 LEU 77 9.537 6.109 5.761 584 HD21 LEU 77 HD21 LEU 77 7.485 7.298 5.264 585 HD22 LEU 77 HD22 LEU 77 6.825 7.336 3.629 586 HD23 LEU 77 HD23 LEU 77 8.232 8.317 4.034 587 H ASP 78 HN ASP 78 10.699 3.371 3.079 588 HA ASP 78 HA ASP 78 13.243 4.722 3.412 589 HB2 ASP 78 HB2 ASP 78 12.143 3.602 5.320 590 HB3 ASP 78 HB1 ASP 78 12.345 2.056 4.510 591 H HIS 79 HN HIS 79 11.978 2.170 1.470 592 HA HIS 79 HA HIS 79 14.686 1.268 0.773 593 HB2 HIS 79 HB2 HIS 79 12.005 -0.017 0.377 594 HB3 HIS 79 HB1 HIS 79 13.415 -0.554 -0.516 595 HD1 HIS 79 HD1 HIS 79 14.388 -2.557 0.500 596 HD2 HIS 79 HD2 HIS 79 12.702 -0.071 3.369 597 HE1 HIS 79 HE1 HIS 79 14.703 -3.739 2.695 598 HE2 HIS 79 HE2 HIS 79 13.632 -2.245 4.412 599 H GLN 80 HN GLN 80 12.647 3.539 -0.358 600 HA GLN 80 HA GLN 80 12.700 2.958 -3.182 601 HB2 GLN 80 HB2 GLN 80 12.364 5.687 -1.958 602 HB3 GLN 80 HB1 GLN 80 11.852 5.157 -3.544 603 HG2 GLN 80 HG2 GLN 80 10.181 3.721 -2.501 604 HG3 GLN 80 HG1 GLN 80 10.696 4.304 -0.912 605 HE21 GLN 80 HE21 GLN 80 10.550 6.599 -0.532 606 HE22 GLN 80 HE22 GLN 80 9.272 7.479 -1.278 607 H ALA 81 HN ALA 81 13.799 4.396 -4.744 608 HA ALA 81 HA ALA 81 15.552 5.367 -5.695 609 HB1 ALA 81 HB1 ALA 81 16.587 7.272 -4.575 610 HB2 ALA 81 HB2 ALA 81 15.919 6.748 -3.028 611 HB3 ALA 81 HB3 ALA 81 14.841 7.284 -4.318 612 H28 SXO 101 H28B SXO 101 -5.954 -11.411 5.015 613 H28A SXO 101 H28A SXO 101 -5.654 -11.841 3.300 614 H30 SXO 101 H30A SXO 101 -4.173 -12.399 6.146 615 H30A SXO 101 H30C SXO 101 -3.206 -13.641 5.347 616 H30B SXO 101 H30B SXO 101 -3.424 -12.059 4.591 617 H31 SXO 101 H31A SXO 101 -6.725 -14.687 4.867 618 H31A SXO 101 H31B SXO 101 -6.090 -13.905 6.319 619 H31B SXO 101 H31C SXO 101 -5.173 -15.204 5.531 620 H32 SXO 101 H32A SXO 101 -3.974 -14.683 3.288 621 HO33 SXO 101 H33A SXO 101 -6.181 -14.123 1.853 622 HN36 SXO 101 H36A SXO 101 -2.603 -12.860 3.009 623 H37 SXO 101 H37A SXO 101 -1.525 -12.104 1.020 624 H37A SXO 101 H37B SXO 101 -3.099 -11.423 0.540 625 H38 SXO 101 H38B SXO 101 -1.466 -9.761 1.501 626 H38A SXO 101 H38A SXO 101 -1.552 -10.622 3.025 627 HN41 SXO 101 H41A SXO 101 -2.428 -8.912 4.095 628 H42 SXO 101 H42A SXO 101 -4.339 -7.063 3.628 629 H42A SXO 101 H42B SXO 101 -5.283 -8.488 3.866 630 H43 SXO 101 H43B SXO 101 -5.284 -7.689 5.905 631 H43A SXO 101 H43A SXO 101 -3.994 -8.874 6.021 632 H2 SXO 101 H2A SXO 101 0.308 -6.672 5.202 633 H2A SXO 101 H2B SXO 101 -0.673 -5.407 5.963 634 H3 SXO 101 H3B SXO 101 -0.915 -6.390 3.126 635 H3A SXO 101 H3A SXO 101 -1.826 -5.067 3.857 636 H4 SXO 101 H4A SXO 101 1.176 -5.146 3.544 637 H4A SXO 101 H4B SXO 101 0.225 -3.807 4.186 638 H5 SXO 101 H5B SXO 101 0.078 -4.911 1.387 639 H5A SXO 101 H5A SXO 101 -0.934 -3.619 2.027 640 H6 SXO 101 H6A SXO 101 2.065 -3.567 1.730 641 H6A SXO 101 H6B SXO 101 1.091 -2.278 2.443 642 H7 SXO 101 H7A SXO 101 -0.130 -2.052 0.309 643 H7A SXO 101 H7B SXO 101 0.924 -3.293 -0.398 644 H8 SXO 101 H8C SXO 101 1.689 -1.040 -0.948 645 H8A SXO 101 H8A SXO 101 2.862 -1.886 0.062 646 H8B SXO 101 H8B SXO 101 1.811 -0.663 0.771 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 13.652 10.785 -2.858 2 H2 ALA 1 HT2 ALA 1 12.350 10.699 -1.799 3 H3 ALA 1 HT3 ALA 1 12.376 11.894 -2.994 4 HA ALA 1 HA ALA 1 12.198 10.232 -4.697 5 HB1 ALA 1 HB1 ALA 1 11.931 8.307 -2.386 6 HB2 ALA 1 HB2 ALA 1 13.312 8.412 -3.481 7 HB3 ALA 1 HB3 ALA 1 11.737 7.909 -4.095 8 H ALA 2 HN ALA 2 10.464 9.955 -1.549 9 HA ALA 2 HA ALA 2 8.209 11.402 -2.260 10 HB1 ALA 2 HB1 ALA 2 6.528 9.596 -2.431 11 HB2 ALA 2 HB2 ALA 2 7.822 8.398 -2.440 12 HB3 ALA 2 HB3 ALA 2 7.666 9.535 -3.780 13 H THR 3 HN THR 3 7.016 11.717 -0.360 14 HA THR 3 HA THR 3 8.041 10.179 1.889 15 HB THR 3 HB THR 3 6.343 12.566 2.452 16 HG1 THR 3 HG1 THR 3 7.649 13.211 0.642 17 HG21 THR 3 HG21 THR 3 7.507 11.315 4.238 18 HG22 THR 3 HG22 THR 3 8.076 12.981 4.144 19 HG23 THR 3 HG23 THR 3 9.054 11.677 3.471 20 H GLN 4 HN GLN 4 5.925 10.611 3.721 21 HA GLN 4 HA GLN 4 4.534 8.288 3.019 22 HB2 GLN 4 HB2 GLN 4 4.141 10.199 5.310 23 HB3 GLN 4 HB1 GLN 4 3.240 8.697 5.129 24 HG2 GLN 4 HG2 GLN 4 5.292 7.421 5.187 25 HG3 GLN 4 HG1 GLN 4 6.229 8.907 5.308 26 HE21 GLN 4 HE21 GLN 4 4.159 6.662 6.976 27 HE22 GLN 4 HE22 GLN 4 4.443 7.274 8.557 28 H GLU 5 HN GLU 5 3.568 11.669 2.912 29 HA GLU 5 HA GLU 5 0.863 11.181 2.295 30 HB2 GLU 5 HB2 GLU 5 2.624 13.486 1.451 31 HB3 GLU 5 HB1 GLU 5 0.884 13.437 1.242 32 HG2 GLU 5 HG2 GLU 5 2.331 13.372 3.875 33 HG3 GLU 5 HG1 GLU 5 1.589 14.794 3.146 34 H GLU 6 HN GLU 6 3.612 11.765 0.171 35 HA GLU 6 HA GLU 6 2.213 11.351 -2.229 36 HB2 GLU 6 HB2 GLU 6 5.173 10.903 -1.821 37 HB3 GLU 6 HB1 GLU 6 4.353 11.272 -3.328 38 HG2 GLU 6 HG2 GLU 6 5.263 13.300 -2.828 39 HG3 GLU 6 HG1 GLU 6 3.689 13.465 -2.057 40 H ILE 7 HN ILE 7 3.934 9.189 -0.084 41 HA ILE 7 HA ILE 7 4.003 7.060 -1.823 42 HB ILE 7 HB ILE 7 4.119 7.087 1.201 43 HG12 ILE 7 HG12 ILE 7 6.102 7.917 -0.017 44 HG13 ILE 7 HG11 ILE 7 6.462 6.436 0.857 45 HG21 ILE 7 HG21 ILE 7 4.353 4.635 -0.542 46 HG22 ILE 7 HG22 ILE 7 3.073 4.968 0.626 47 HG23 ILE 7 HG23 ILE 7 4.729 4.708 1.179 48 HD11 ILE 7 HD11 ILE 7 7.526 6.452 -1.353 49 HD12 ILE 7 HD12 ILE 7 5.963 6.656 -2.123 50 HD13 ILE 7 HD13 ILE 7 6.328 5.171 -1.259 51 H VAL 8 HN VAL 8 1.728 7.885 0.822 52 HA VAL 8 HA VAL 8 -0.087 5.786 0.376 53 HB VAL 8 HB VAL 8 -0.513 8.472 1.743 54 HG11 VAL 8 HG11 VAL 8 -2.223 5.996 1.820 55 HG12 VAL 8 HG12 VAL 8 -2.646 7.513 1.029 56 HG13 VAL 8 HG13 VAL 8 -2.464 7.454 2.782 57 HG21 VAL 8 HG21 VAL 8 1.154 7.061 2.791 58 HG22 VAL 8 HG22 VAL 8 0.009 5.723 2.839 59 HG23 VAL 8 HG23 VAL 8 -0.294 7.181 3.788 60 H ALA 9 HN ALA 9 0.126 9.016 -0.991 61 HA ALA 9 HA ALA 9 -2.316 9.114 -2.367 62 HB1 ALA 9 HB1 ALA 9 -0.815 11.044 -2.174 63 HB2 ALA 9 HB2 ALA 9 -1.216 10.714 -3.865 64 HB3 ALA 9 HB3 ALA 9 0.352 10.231 -3.218 65 H GLY 10 HN GLY 10 0.808 7.759 -3.259 66 HA2 GLY 10 HA2 GLY 10 0.088 6.978 -5.883 67 HA3 GLY 10 HA1 GLY 10 1.446 6.353 -4.950 68 H LEU 11 HN LEU 11 0.094 5.367 -2.765 69 HA LEU 11 HA LEU 11 -0.664 2.792 -3.510 70 HB2 LEU 11 HB2 LEU 11 -1.339 4.375 -1.037 71 HB3 LEU 11 HB1 LEU 11 -1.729 2.681 -1.227 72 HG LEU 11 HG LEU 11 1.064 3.811 -1.278 73 HD11 LEU 11 HD11 LEU 11 -0.430 2.366 0.924 74 HD12 LEU 11 HD12 LEU 11 0.015 4.072 0.937 75 HD13 LEU 11 HD13 LEU 11 1.269 2.832 0.971 76 HD21 LEU 11 HD21 LEU 11 1.742 1.481 -1.064 77 HD22 LEU 11 HD22 LEU 11 0.757 1.708 -2.516 78 HD23 LEU 11 HD23 LEU 11 0.055 0.978 -1.076 79 H ALA 12 HN ALA 12 -2.695 5.514 -2.564 80 HA ALA 12 HA ALA 12 -5.149 4.230 -2.840 81 HB1 ALA 12 HB1 ALA 12 -6.152 6.364 -2.830 82 HB2 ALA 12 HB2 ALA 12 -4.597 7.152 -3.170 83 HB3 ALA 12 HB3 ALA 12 -4.859 6.296 -1.631 84 H GLU 13 HN GLU 13 -3.122 5.741 -5.302 85 HA GLU 13 HA GLU 13 -5.088 6.001 -7.240 86 HB2 GLU 13 HB2 GLU 13 -3.155 7.214 -7.623 87 HB3 GLU 13 HB1 GLU 13 -2.105 5.879 -7.177 88 HG2 GLU 13 HG2 GLU 13 -2.564 4.759 -9.076 89 HG3 GLU 13 HG1 GLU 13 -3.789 5.911 -9.660 90 H ILE 14 HN ILE 14 -2.876 3.351 -6.446 91 HA ILE 14 HA ILE 14 -4.116 1.842 -8.528 92 HB ILE 14 HB ILE 14 -2.108 0.799 -6.471 93 HG12 ILE 14 HG12 ILE 14 -0.599 0.608 -8.509 94 HG13 ILE 14 HG11 ILE 14 -1.769 1.588 -9.374 95 HG21 ILE 14 HG21 ILE 14 -3.212 -0.516 -8.937 96 HG22 ILE 14 HG22 ILE 14 -3.564 -0.948 -7.263 97 HG23 ILE 14 HG23 ILE 14 -1.930 -1.173 -7.906 98 HD11 ILE 14 HD11 ILE 14 0.114 2.895 -8.633 99 HD12 ILE 14 HD12 ILE 14 -0.185 2.409 -6.964 100 HD13 ILE 14 HD13 ILE 14 -1.359 3.413 -7.813 101 H VAL 15 HN VAL 15 -4.567 2.216 -5.087 102 HA VAL 15 HA VAL 15 -6.226 -0.050 -4.820 103 HB VAL 15 HB VAL 15 -6.447 2.479 -3.127 104 HG11 VAL 15 HG11 VAL 15 -7.355 -0.352 -2.548 105 HG12 VAL 15 HG12 VAL 15 -8.403 1.018 -2.907 106 HG13 VAL 15 HG13 VAL 15 -7.450 1.003 -1.422 107 HG21 VAL 15 HG21 VAL 15 -4.862 -0.035 -2.614 108 HG22 VAL 15 HG22 VAL 15 -5.082 1.292 -1.476 109 HG23 VAL 15 HG23 VAL 15 -4.198 1.562 -2.982 110 H ASN 16 HN ASN 16 -6.795 3.104 -6.056 111 HA ASN 16 HA ASN 16 -9.617 2.947 -6.276 112 HB2 ASN 16 HB2 ASN 16 -8.500 5.090 -6.478 113 HB3 ASN 16 HB1 ASN 16 -7.589 4.525 -7.875 114 HD21 ASN 16 HD21 ASN 16 -10.675 5.555 -6.710 115 HD22 ASN 16 HD22 ASN 16 -11.396 5.757 -8.261 116 H GLU 17 HN GLU 17 -6.964 2.047 -8.368 117 HA GLU 17 HA GLU 17 -8.532 1.308 -10.602 118 HB2 GLU 17 HB2 GLU 17 -6.080 1.869 -10.591 119 HB3 GLU 17 HB1 GLU 17 -5.785 0.320 -9.823 120 HG2 GLU 17 HG2 GLU 17 -5.323 0.166 -12.166 121 HG3 GLU 17 HG1 GLU 17 -6.751 -0.799 -11.788 122 H ILE 18 HN ILE 18 -7.110 -0.482 -7.920 123 HA ILE 18 HA ILE 18 -7.954 -3.073 -8.764 124 HB ILE 18 HB ILE 18 -6.970 -2.012 -6.115 125 HG12 ILE 18 HG12 ILE 18 -5.377 -1.845 -7.861 126 HG13 ILE 18 HG11 ILE 18 -4.862 -3.112 -6.747 127 HG21 ILE 18 HG21 ILE 18 -6.541 -4.321 -5.435 128 HG22 ILE 18 HG22 ILE 18 -7.376 -4.893 -6.883 129 HG23 ILE 18 HG23 ILE 18 -8.260 -3.990 -5.651 130 HD11 ILE 18 HD11 ILE 18 -5.694 -4.802 -8.328 131 HD12 ILE 18 HD12 ILE 18 -4.457 -3.771 -9.056 132 HD13 ILE 18 HD13 ILE 18 -6.163 -3.515 -9.441 133 H ALA 19 HN ALA 19 -9.102 -0.924 -6.147 134 HA ALA 19 HA ALA 19 -11.458 -2.657 -5.871 135 HB1 ALA 19 HB1 ALA 19 -10.259 -0.738 -3.897 136 HB2 ALA 19 HB2 ALA 19 -10.038 -2.488 -3.909 137 HB3 ALA 19 HB3 ALA 19 -11.638 -1.802 -3.615 138 H GLY 20 HN GLY 20 -10.457 0.709 -5.799 139 HA2 GLY 20 HA2 GLY 20 -11.709 2.358 -7.067 140 HA3 GLY 20 HA1 GLY 20 -13.145 1.378 -6.824 141 H ILE 21 HN ILE 21 -10.704 2.975 -4.798 142 HA ILE 21 HA ILE 21 -12.910 4.028 -3.206 143 HB ILE 21 HB ILE 21 -10.999 4.720 -1.601 144 HG12 ILE 21 HG12 ILE 21 -9.074 3.055 -1.539 145 HG13 ILE 21 HG11 ILE 21 -9.544 2.559 -3.148 146 HG21 ILE 21 HG21 ILE 21 -11.841 1.861 -1.800 147 HG22 ILE 21 HG22 ILE 21 -12.623 3.200 -0.934 148 HG23 ILE 21 HG23 ILE 21 -11.053 2.615 -0.406 149 HD11 ILE 21 HD11 ILE 21 -9.062 4.813 -3.973 150 HD12 ILE 21 HD12 ILE 21 -7.659 4.073 -3.198 151 HD13 ILE 21 HD13 ILE 21 -8.595 5.298 -2.341 152 HA PRO 22 HA PRO 22 -11.990 8.116 -4.668 153 HB2 PRO 22 HB2 PRO 22 -12.147 9.102 -1.878 154 HB3 PRO 22 HB1 PRO 22 -13.145 9.542 -3.267 155 HG2 PRO 22 HG2 PRO 22 -14.113 8.055 -1.259 156 HG3 PRO 22 HG1 PRO 22 -14.608 7.787 -2.942 157 HD2 PRO 22 HD2 PRO 22 -12.667 6.258 -1.266 158 HD3 PRO 22 HD1 PRO 22 -13.868 5.659 -2.432 159 H VAL 23 HN VAL 23 -10.116 9.337 -4.824 160 HA VAL 23 HA VAL 23 -7.846 8.241 -3.387 161 HB VAL 23 HB VAL 23 -7.837 8.605 -5.876 162 HG11 VAL 23 HG11 VAL 23 -7.625 11.516 -5.204 163 HG12 VAL 23 HG12 VAL 23 -8.931 10.702 -6.063 164 HG13 VAL 23 HG13 VAL 23 -7.330 10.811 -6.794 165 HG21 VAL 23 HG21 VAL 23 -5.617 9.943 -4.341 166 HG22 VAL 23 HG22 VAL 23 -5.491 9.362 -6.007 167 HG23 VAL 23 HG23 VAL 23 -5.774 8.222 -4.679 168 H GLU 24 HN GLU 24 -9.698 9.731 -1.998 169 HA GLU 24 HA GLU 24 -8.007 11.763 -0.745 170 HB2 GLU 24 HB2 GLU 24 -10.031 13.178 -0.450 171 HB3 GLU 24 HB1 GLU 24 -9.608 12.967 -2.143 172 HG2 GLU 24 HG2 GLU 24 -11.336 11.192 -2.297 173 HG3 GLU 24 HG1 GLU 24 -11.800 11.557 -0.639 174 H ASP 25 HN ASP 25 -9.224 8.884 -0.501 175 HA ASP 25 HA ASP 25 -10.534 9.106 2.127 176 HB2 ASP 25 HB2 ASP 25 -11.704 7.720 0.443 177 HB3 ASP 25 HB1 ASP 25 -10.236 6.776 0.243 178 H VAL 26 HN VAL 26 -7.798 7.731 0.484 179 HA VAL 26 HA VAL 26 -7.001 6.151 2.742 180 HB VAL 26 HB VAL 26 -5.490 6.617 0.162 181 HG11 VAL 26 HG11 VAL 26 -4.154 5.634 1.947 182 HG12 VAL 26 HG12 VAL 26 -4.451 4.457 0.667 183 HG13 VAL 26 HG13 VAL 26 -5.365 4.371 2.173 184 HG21 VAL 26 HG21 VAL 26 -7.724 5.799 -0.349 185 HG22 VAL 26 HG22 VAL 26 -7.515 4.476 0.799 186 HG23 VAL 26 HG23 VAL 26 -6.518 4.549 -0.654 187 H LYS 27 HN LYS 27 -6.588 7.640 4.277 188 HA LYS 27 HA LYS 27 -4.228 9.352 3.939 189 HB2 LYS 27 HB2 LYS 27 -6.209 9.160 6.214 190 HB3 LYS 27 HB1 LYS 27 -4.883 10.308 6.110 191 HG2 LYS 27 HG2 LYS 27 -5.919 11.317 4.141 192 HG3 LYS 27 HG1 LYS 27 -7.258 10.166 4.272 193 HD2 LYS 27 HD2 LYS 27 -7.741 11.021 6.514 194 HD3 LYS 27 HD1 LYS 27 -6.442 12.202 6.331 195 HE2 LYS 27 HE2 LYS 27 -7.596 13.170 4.418 196 HE3 LYS 27 HE1 LYS 27 -8.896 11.987 4.599 197 HZ1 LYS 27 HZ1 LYS 27 -9.547 14.008 5.602 198 HZ2 LYS 27 HZ2 LYS 27 -8.113 14.102 6.510 199 HZ3 LYS 27 HZ3 LYS 27 -9.254 12.893 6.857 200 H LEU 28 HN LEU 28 -3.050 9.333 6.369 201 HA LEU 28 HA LEU 28 -1.704 6.847 6.297 202 HB2 LEU 28 HB2 LEU 28 -1.438 9.274 8.004 203 HB3 LEU 28 HB1 LEU 28 -0.659 7.798 8.522 204 HG LEU 28 HG LEU 28 0.902 9.259 7.367 205 HD11 LEU 28 HD11 LEU 28 1.779 7.675 5.732 206 HD12 LEU 28 HD12 LEU 28 0.256 6.787 5.788 207 HD13 LEU 28 HD13 LEU 28 1.273 6.886 7.226 208 HD21 LEU 28 HD21 LEU 28 -0.888 8.953 4.946 209 HD22 LEU 28 HD22 LEU 28 0.701 9.718 4.960 210 HD23 LEU 28 HD23 LEU 28 -0.631 10.438 5.863 211 H ASP 29 HN ASP 29 -4.356 7.872 8.305 212 HA ASP 29 HA ASP 29 -3.895 5.695 10.203 213 HB2 ASP 29 HB2 ASP 29 -6.081 7.776 10.071 214 HB3 ASP 29 HB1 ASP 29 -6.060 6.475 11.249 215 H LYS 30 HN LYS 30 -4.740 5.377 7.281 216 HA LYS 30 HA LYS 30 -7.187 3.830 7.719 217 HB2 LYS 30 HB2 LYS 30 -5.798 4.519 5.121 218 HB3 LYS 30 HB1 LYS 30 -7.386 3.794 5.298 219 HG2 LYS 30 HG2 LYS 30 -6.708 6.536 6.330 220 HG3 LYS 30 HG1 LYS 30 -7.317 6.246 4.711 221 HD2 LYS 30 HD2 LYS 30 -8.769 5.433 7.230 222 HD3 LYS 30 HD1 LYS 30 -9.034 6.965 6.394 223 HE2 LYS 30 HE2 LYS 30 -9.563 5.620 4.331 224 HE3 LYS 30 HE1 LYS 30 -9.536 4.185 5.352 225 HZ1 LYS 30 HZ1 LYS 30 -11.340 5.205 6.692 226 HZ2 LYS 30 HZ2 LYS 30 -11.788 5.010 5.081 227 HZ3 LYS 30 HZ3 LYS 30 -11.323 6.521 5.637 228 H SER 31 HN SER 31 -7.090 1.650 7.698 229 HA SER 31 HA SER 31 -4.555 0.407 6.917 230 HB2 SER 31 HB2 SER 31 -6.640 -1.145 8.341 231 HB3 SER 31 HB1 SER 31 -4.884 -1.116 8.493 232 HG SER 31 HG SER 31 -6.588 0.931 9.470 233 H PHE 32 HN PHE 32 -4.761 -1.555 5.635 234 HA PHE 32 HA PHE 32 -6.290 -1.050 3.388 235 HB2 PHE 32 HB2 PHE 32 -4.782 -3.528 4.181 236 HB3 PHE 32 HB1 PHE 32 -5.483 -3.265 2.582 237 HD1 PHE 32 HD2 PHE 32 -4.607 -1.545 1.104 238 HD2 PHE 32 HD1 PHE 32 -2.813 -2.332 4.881 239 HE1 PHE 32 HE2 PHE 32 -2.619 -0.265 0.422 240 HE2 PHE 32 HE1 PHE 32 -0.828 -1.052 4.207 241 HZ PHE 32 HZ PHE 32 -0.728 -0.020 1.975 242 H THR 33 HN THR 33 -6.974 -3.543 5.863 243 HA THR 33 HA THR 33 -9.564 -3.591 4.513 244 HB THR 33 HB THR 33 -8.257 -5.722 4.175 245 HG1 THR 33 HG1 THR 33 -9.961 -7.159 4.808 246 HG21 THR 33 HG21 THR 33 -7.112 -5.823 6.317 247 HG22 THR 33 HG22 THR 33 -8.053 -7.303 6.075 248 HG23 THR 33 HG23 THR 33 -8.648 -6.045 7.150 249 H ASP 34 HN ASP 34 -8.512 -2.107 6.802 250 HA ASP 34 HA ASP 34 -10.592 -2.877 8.770 251 HB2 ASP 34 HB2 ASP 34 -8.173 -1.118 9.353 252 HB3 ASP 34 HB1 ASP 34 -9.406 -1.604 10.477 253 H ASP 35 HN ASP 35 -9.153 -0.312 6.916 254 HA ASP 35 HA ASP 35 -11.439 1.416 7.625 255 HB2 ASP 35 HB2 ASP 35 -8.650 2.276 6.919 256 HB3 ASP 35 HB1 ASP 35 -9.972 3.342 7.290 257 H LEU 36 HN LEU 36 -9.374 0.110 5.154 258 HA LEU 36 HA LEU 36 -10.462 1.895 3.195 259 HB2 LEU 36 HB2 LEU 36 -8.414 -0.284 2.985 260 HB3 LEU 36 HB1 LEU 36 -8.958 0.696 1.641 261 HG LEU 36 HG LEU 36 -7.534 1.694 4.088 262 HD11 LEU 36 HD11 LEU 36 -6.105 0.480 2.465 263 HD12 LEU 36 HD12 LEU 36 -5.741 2.208 2.487 264 HD13 LEU 36 HD13 LEU 36 -6.714 1.531 1.180 265 HD21 LEU 36 HD21 LEU 36 -7.554 3.840 2.919 266 HD22 LEU 36 HD22 LEU 36 -9.173 3.237 3.321 267 HD23 LEU 36 HD23 LEU 36 -8.580 3.110 1.667 268 H ASP 37 HN ASP 37 -11.486 1.283 1.443 269 HA ASP 37 HA ASP 37 -13.177 -1.030 1.826 270 HB2 ASP 37 HB2 ASP 37 -14.434 1.029 1.636 271 HB3 ASP 37 HB1 ASP 37 -13.636 1.418 0.116 272 H VAL 38 HN VAL 38 -11.375 -2.106 1.245 273 HA VAL 38 HA VAL 38 -11.515 -2.823 -1.598 274 HB VAL 38 HB VAL 38 -9.246 -1.835 -0.941 275 HG11 VAL 38 HG11 VAL 38 -9.086 -2.587 1.311 276 HG12 VAL 38 HG12 VAL 38 -7.695 -3.164 0.389 277 HG13 VAL 38 HG13 VAL 38 -9.011 -4.268 0.784 278 HG21 VAL 38 HG21 VAL 38 -7.826 -3.563 -1.970 279 HG22 VAL 38 HG22 VAL 38 -9.333 -3.344 -2.860 280 HG23 VAL 38 HG23 VAL 38 -9.132 -4.734 -1.794 281 H ASP 39 HN ASP 39 -11.009 -5.261 -1.765 282 HA ASP 39 HA ASP 39 -12.450 -6.701 0.218 283 HB2 ASP 39 HB2 ASP 39 -12.417 -7.563 -2.042 284 HB3 ASP 39 HB1 ASP 39 -10.662 -7.611 -2.047 285 H SER 40 HN SER 40 -9.318 -7.728 -0.711 286 HA SER 40 HA SER 40 -7.485 -6.844 0.984 287 HB2 SER 40 HB2 SER 40 -7.323 -8.454 2.855 288 HB3 SER 40 HB1 SER 40 -8.815 -7.498 2.911 289 H LEU 41 HN LEU 41 -8.856 -9.966 0.010 290 HA LEU 41 HA LEU 41 -6.301 -11.053 -0.458 291 HB2 LEU 41 HB2 LEU 41 -9.008 -11.918 -1.533 292 HB3 LEU 41 HB1 LEU 41 -7.534 -12.795 -1.874 293 HG LEU 41 HG LEU 41 -7.309 -13.087 0.662 294 HD11 LEU 41 HD11 LEU 41 -10.195 -12.269 0.585 295 HD12 LEU 41 HD12 LEU 41 -8.879 -11.444 1.425 296 HD13 LEU 41 HD13 LEU 41 -9.386 -13.050 1.942 297 HD21 LEU 41 HD21 LEU 41 -9.594 -14.407 -0.775 298 HD22 LEU 41 HD22 LEU 41 -8.815 -15.003 0.691 299 HD23 LEU 41 HD23 LEU 41 -7.903 -14.904 -0.815 300 H SER 42 HN SER 42 -8.531 -9.152 -2.106 301 HA SER 42 HA SER 42 -7.279 -9.132 -4.680 302 HB2 SER 42 HB2 SER 42 -9.696 -8.734 -4.363 303 HB3 SER 42 HB1 SER 42 -9.318 -7.273 -3.449 304 HG SER 42 HG SER 42 -8.425 -7.698 -6.086 305 H MET 43 HN MET 43 -6.560 -7.609 -1.675 306 HA MET 43 HA MET 43 -5.451 -5.115 -2.689 307 HB2 MET 43 HB2 MET 43 -6.364 -5.480 -0.342 308 HB3 MET 43 HB1 MET 43 -5.001 -6.529 -0.036 309 HG2 MET 43 HG2 MET 43 -4.820 -3.577 -0.639 310 HG3 MET 43 HG1 MET 43 -4.823 -4.275 0.969 311 HE1 MET 43 HE1 MET 43 -1.377 -6.313 0.776 312 HE2 MET 43 HE2 MET 43 -2.902 -6.915 0.131 313 HE3 MET 43 HE3 MET 43 -2.878 -6.091 1.690 314 H VAL 44 HN VAL 44 -4.469 -8.334 -2.320 315 HA VAL 44 HA VAL 44 -1.710 -7.933 -2.379 316 HB VAL 44 HB VAL 44 -3.236 -10.309 -3.503 317 HG11 VAL 44 HG11 VAL 44 -0.410 -10.110 -2.464 318 HG12 VAL 44 HG12 VAL 44 -0.887 -10.301 -4.150 319 HG13 VAL 44 HG13 VAL 44 -1.214 -11.590 -2.992 320 HG21 VAL 44 HG21 VAL 44 -2.305 -9.785 -0.653 321 HG22 VAL 44 HG22 VAL 44 -2.975 -11.305 -1.228 322 HG23 VAL 44 HG23 VAL 44 -3.961 -9.853 -1.225 323 H GLU 45 HN GLU 45 -4.122 -7.572 -4.808 324 HA GLU 45 HA GLU 45 -2.394 -7.652 -7.086 325 HB2 GLU 45 HB2 GLU 45 -5.144 -6.422 -6.791 326 HB3 GLU 45 HB1 GLU 45 -4.327 -6.783 -8.303 327 HG2 GLU 45 HG2 GLU 45 -4.421 -9.164 -7.793 328 HG3 GLU 45 HG1 GLU 45 -5.201 -8.793 -6.254 329 H VAL 46 HN VAL 46 -3.453 -5.149 -4.779 330 HA VAL 46 HA VAL 46 -2.414 -3.063 -6.451 331 HB VAL 46 HB VAL 46 -4.366 -2.448 -5.117 332 HG11 VAL 46 HG11 VAL 46 -2.712 -2.895 -2.665 333 HG12 VAL 46 HG12 VAL 46 -4.069 -3.880 -3.207 334 HG13 VAL 46 HG13 VAL 46 -4.335 -2.201 -2.715 335 HG21 VAL 46 HG21 VAL 46 -3.582 -0.394 -4.035 336 HG22 VAL 46 HG22 VAL 46 -2.835 -0.647 -5.609 337 HG23 VAL 46 HG23 VAL 46 -1.926 -0.982 -4.137 338 H VAL 47 HN VAL 47 -1.387 -4.759 -3.560 339 HA VAL 47 HA VAL 47 0.841 -3.122 -3.071 340 HB VAL 47 HB VAL 47 0.089 -4.719 -1.365 341 HG11 VAL 47 HG11 VAL 47 0.638 -7.096 -1.490 342 HG12 VAL 47 HG12 VAL 47 1.201 -6.867 -3.147 343 HG13 VAL 47 HG13 VAL 47 -0.497 -6.606 -2.750 344 HG21 VAL 47 HG21 VAL 47 2.279 -5.537 -0.608 345 HG22 VAL 47 HG22 VAL 47 2.349 -3.874 -1.188 346 HG23 VAL 47 HG23 VAL 47 2.946 -5.188 -2.203 347 H VAL 48 HN VAL 48 0.553 -5.862 -5.275 348 HA VAL 48 HA VAL 48 3.322 -5.910 -5.893 349 HB VAL 48 HB VAL 48 1.855 -7.871 -6.287 350 HG11 VAL 48 HG11 VAL 48 -0.134 -6.803 -7.055 351 HG12 VAL 48 HG12 VAL 48 0.407 -7.993 -8.241 352 HG13 VAL 48 HG13 VAL 48 0.676 -6.275 -8.529 353 HG21 VAL 48 HG21 VAL 48 2.741 -8.551 -8.479 354 HG22 VAL 48 HG22 VAL 48 3.971 -7.778 -7.478 355 HG23 VAL 48 HG23 VAL 48 3.213 -6.882 -8.793 356 H ALA 49 HN ALA 49 0.679 -3.991 -7.004 357 HA ALA 49 HA ALA 49 2.117 -2.983 -9.298 358 HB1 ALA 49 HB1 ALA 49 -0.338 -3.129 -9.368 359 HB2 ALA 49 HB2 ALA 49 0.198 -1.456 -9.557 360 HB3 ALA 49 HB3 ALA 49 -0.440 -2.003 -8.013 361 H ALA 50 HN ALA 50 1.647 -2.208 -5.982 362 HA ALA 50 HA ALA 50 2.545 0.463 -6.028 363 HB1 ALA 50 HB1 ALA 50 1.315 -0.507 -4.136 364 HB2 ALA 50 HB2 ALA 50 2.840 0.219 -3.623 365 HB3 ALA 50 HB3 ALA 50 2.701 -1.535 -3.773 366 H GLU 51 HN GLU 51 4.209 -2.600 -5.865 367 HA GLU 51 HA GLU 51 6.727 -1.805 -5.082 368 HB2 GLU 51 HB2 GLU 51 6.020 -3.918 -7.110 369 HB3 GLU 51 HB1 GLU 51 7.603 -3.722 -6.377 370 HG2 GLU 51 HG2 GLU 51 6.518 -4.096 -4.155 371 HG3 GLU 51 HG1 GLU 51 5.040 -4.506 -5.024 372 H GLU 52 HN GLU 52 5.625 -2.077 -8.471 373 HA GLU 52 HA GLU 52 7.923 -0.971 -9.637 374 HB2 GLU 52 HB2 GLU 52 6.540 -0.601 -11.648 375 HB3 GLU 52 HB1 GLU 52 6.290 -2.207 -10.975 376 HG2 GLU 52 HG2 GLU 52 4.173 -1.693 -10.187 377 HG3 GLU 52 HG1 GLU 52 4.479 0.038 -10.222 378 H ARG 53 HN ARG 53 5.010 0.517 -8.401 379 HA ARG 53 HA ARG 53 5.390 2.979 -9.699 380 HB2 ARG 53 HB2 ARG 53 3.596 2.220 -7.415 381 HB3 ARG 53 HB1 ARG 53 3.597 3.814 -8.148 382 HG2 ARG 53 HG2 ARG 53 2.989 1.248 -9.623 383 HG3 ARG 53 HG1 ARG 53 1.776 2.324 -8.941 384 HD2 ARG 53 HD2 ARG 53 1.867 2.884 -11.221 385 HD3 ARG 53 HD1 ARG 53 2.790 4.142 -10.416 386 HE ARG 53 HE ARG 53 4.024 1.861 -11.831 387 HH11 ARG 53 HH11 ARG 53 4.056 5.309 -10.931 388 HH12 ARG 53 HH12 ARG 53 5.189 5.768 -12.109 389 HH21 ARG 53 HH21 ARG 53 5.671 2.498 -13.430 390 HH22 ARG 53 HH22 ARG 53 6.129 4.125 -13.575 391 H PHE 54 HN PHE 54 6.122 1.857 -6.416 392 HA PHE 54 HA PHE 54 7.198 4.495 -5.817 393 HB2 PHE 54 HB2 PHE 54 6.902 2.103 -4.001 394 HB3 PHE 54 HB1 PHE 54 7.424 3.717 -3.510 395 HD1 PHE 54 HD2 PHE 54 5.797 5.625 -4.424 396 HD2 PHE 54 HD1 PHE 54 4.728 1.601 -3.625 397 HE1 PHE 54 HE2 PHE 54 3.453 6.292 -4.226 398 HE2 PHE 54 HE1 PHE 54 2.386 2.258 -3.437 399 HZ PHE 54 HZ PHE 54 1.747 4.600 -3.734 400 H ASP 55 HN ASP 55 8.278 1.921 -7.337 401 HA ASP 55 HA ASP 55 10.316 1.297 -8.101 402 HB2 ASP 55 HB2 ASP 55 10.594 3.794 -8.184 403 HB3 ASP 55 HB1 ASP 55 11.341 3.728 -6.596 404 H VAL 56 HN VAL 56 9.269 0.222 -5.747 405 HA VAL 56 HA VAL 56 11.676 -0.383 -4.170 406 HB VAL 56 HB VAL 56 10.133 -1.047 -2.283 407 HG11 VAL 56 HG11 VAL 56 11.281 1.104 -2.240 408 HG12 VAL 56 HG12 VAL 56 9.694 1.178 -1.484 409 HG13 VAL 56 HG13 VAL 56 9.927 1.850 -3.104 410 HG21 VAL 56 HG21 VAL 56 7.830 -0.175 -2.291 411 HG22 VAL 56 HG22 VAL 56 8.080 -1.373 -3.560 412 HG23 VAL 56 HG23 VAL 56 8.038 0.339 -3.964 413 H LYS 57 HN LYS 57 10.981 -2.542 -2.814 414 HA LYS 57 HA LYS 57 9.931 -4.588 -4.623 415 HB2 LYS 57 HB2 LYS 57 12.405 -4.921 -2.898 416 HB3 LYS 57 HB1 LYS 57 11.743 -6.084 -4.031 417 HG2 LYS 57 HG2 LYS 57 12.396 -4.618 -5.894 418 HG3 LYS 57 HG1 LYS 57 13.070 -3.467 -4.737 419 HD2 LYS 57 HD2 LYS 57 13.979 -6.312 -5.192 420 HD3 LYS 57 HD1 LYS 57 14.845 -4.849 -5.652 421 HE2 LYS 57 HE2 LYS 57 14.170 -5.655 -2.815 422 HE3 LYS 57 HE1 LYS 57 15.727 -5.904 -3.590 423 HZ1 LYS 57 HZ1 LYS 57 15.588 -3.943 -2.125 424 HZ2 LYS 57 HZ2 LYS 57 14.542 -3.176 -3.218 425 HZ3 LYS 57 HZ3 LYS 57 16.103 -3.603 -3.685 426 H ILE 58 HN ILE 58 8.474 -5.793 -3.420 427 HA ILE 58 HA ILE 58 8.769 -5.683 -0.495 428 HB ILE 58 HB ILE 58 6.058 -5.541 -1.876 429 HG12 ILE 58 HG12 ILE 58 7.595 -3.243 -0.616 430 HG13 ILE 58 HG11 ILE 58 7.403 -3.477 -2.348 431 HG21 ILE 58 HG21 ILE 58 6.938 -5.027 0.976 432 HG22 ILE 58 HG22 ILE 58 6.079 -6.456 0.401 433 HG23 ILE 58 HG23 ILE 58 5.287 -4.881 0.369 434 HD11 ILE 58 HD11 ILE 58 5.188 -2.972 -0.371 435 HD12 ILE 58 HD12 ILE 58 4.989 -3.190 -2.111 436 HD13 ILE 58 HD13 ILE 58 5.872 -1.795 -1.492 437 HA PRO 59 HA PRO 59 8.645 -10.117 -1.459 438 HB2 PRO 59 HB2 PRO 59 9.009 -10.361 1.457 439 HB3 PRO 59 HB1 PRO 59 10.036 -10.956 0.149 440 HG2 PRO 59 HG2 PRO 59 10.783 -8.903 1.699 441 HG3 PRO 59 HG1 PRO 59 11.193 -8.973 -0.024 442 HD2 PRO 59 HD2 PRO 59 9.049 -7.413 1.352 443 HD3 PRO 59 HD1 PRO 59 10.138 -6.918 0.038 444 H ASP 60 HN ASP 60 7.036 -11.613 -1.293 445 HA ASP 60 HA ASP 60 4.424 -10.945 -0.745 446 HB2 ASP 60 HB2 ASP 60 5.655 -13.705 -0.637 447 HB3 ASP 60 HB1 ASP 60 3.930 -13.375 -0.705 448 H ASP 61 HN ASP 61 6.650 -12.662 1.362 449 HA ASP 61 HA ASP 61 4.739 -13.135 3.418 450 HB2 ASP 61 HB2 ASP 61 7.755 -13.194 3.517 451 HB3 ASP 61 HB1 ASP 61 6.711 -13.677 4.848 452 H ASP 62 HN ASP 62 6.989 -10.595 2.748 453 HA ASP 62 HA ASP 62 6.705 -9.501 5.389 454 HB2 ASP 62 HB2 ASP 62 8.799 -9.370 3.830 455 HB3 ASP 62 HB1 ASP 62 7.970 -7.983 3.127 456 H VAL 63 HN VAL 63 5.329 -9.052 2.251 457 HA VAL 63 HA VAL 63 3.866 -6.682 2.513 458 HB VAL 63 HB VAL 63 2.895 -9.319 1.317 459 HG11 VAL 63 HG11 VAL 63 1.021 -7.850 1.778 460 HG12 VAL 63 HG12 VAL 63 1.292 -7.969 0.040 461 HG13 VAL 63 HG13 VAL 63 1.815 -6.530 0.917 462 HG21 VAL 63 HG21 VAL 63 4.137 -6.930 -0.041 463 HG22 VAL 63 HG22 VAL 63 3.499 -8.360 -0.852 464 HG23 VAL 63 HG23 VAL 63 4.903 -8.500 0.205 465 H LYS 64 HN LYS 64 2.834 -9.963 3.228 466 HA LYS 64 HA LYS 64 0.399 -9.267 4.470 467 HB2 LYS 64 HB2 LYS 64 1.939 -11.852 4.513 468 HB3 LYS 64 HB1 LYS 64 0.286 -11.655 5.080 469 HG2 LYS 64 HG2 LYS 64 -0.452 -11.048 2.870 470 HG3 LYS 64 HG1 LYS 64 1.210 -11.098 2.275 471 HD2 LYS 64 HD2 LYS 64 1.315 -13.486 2.772 472 HD3 LYS 64 HD1 LYS 64 -0.340 -13.434 3.387 473 HE2 LYS 64 HE2 LYS 64 -1.157 -12.781 1.202 474 HE3 LYS 64 HE1 LYS 64 0.490 -12.723 0.577 475 HZ1 LYS 64 HZ1 LYS 64 -0.650 -14.760 -0.032 476 HZ2 LYS 64 HZ2 LYS 64 -0.842 -15.182 1.602 477 HZ3 LYS 64 HZ3 LYS 64 0.697 -15.069 0.921 478 H ASN 65 HN ASN 65 3.413 -8.876 5.717 479 HA ASN 65 HA ASN 65 2.757 -9.634 8.442 480 HB2 ASN 65 HB2 ASN 65 5.074 -9.897 7.498 481 HB3 ASN 65 HB1 ASN 65 5.192 -8.143 7.421 482 HD21 ASN 65 HD21 ASN 65 5.520 -6.959 9.374 483 HD22 ASN 65 HD22 ASN 65 5.884 -7.768 10.845 484 H LEU 66 HN LEU 66 2.448 -6.956 6.364 485 HA LEU 66 HA LEU 66 2.499 -4.901 8.401 486 HB2 LEU 66 HB2 LEU 66 1.671 -4.789 5.503 487 HB3 LEU 66 HB1 LEU 66 1.929 -3.411 6.553 488 HG LEU 66 HG LEU 66 4.069 -5.357 5.694 489 HD11 LEU 66 HD11 LEU 66 3.385 -2.593 4.792 490 HD12 LEU 66 HD12 LEU 66 3.348 -4.067 3.822 491 HD13 LEU 66 HD13 LEU 66 4.894 -3.412 4.384 492 HD21 LEU 66 HD21 LEU 66 5.612 -3.723 6.659 493 HD22 LEU 66 HD22 LEU 66 4.515 -4.366 7.879 494 HD23 LEU 66 HD23 LEU 66 4.246 -2.756 7.209 495 H LYS 67 HN LYS 67 0.487 -3.283 8.117 496 HA LYS 67 HA LYS 67 -2.011 -4.734 7.867 497 HB2 LYS 67 HB2 LYS 67 -2.841 -4.147 10.127 498 HB3 LYS 67 HB1 LYS 67 -1.469 -5.244 10.158 499 HG2 LYS 67 HG2 LYS 67 -0.029 -3.224 10.574 500 HG3 LYS 67 HG1 LYS 67 -1.519 -2.316 10.820 501 HD2 LYS 67 HD2 LYS 67 -0.666 -4.750 12.410 502 HD3 LYS 67 HD1 LYS 67 -0.569 -3.085 12.965 503 HE2 LYS 67 HE2 LYS 67 -3.105 -4.603 12.304 504 HE3 LYS 67 HE1 LYS 67 -2.502 -4.254 13.921 505 HZ1 LYS 67 HZ1 LYS 67 -4.090 -2.623 13.545 506 HZ2 LYS 67 HZ2 LYS 67 -3.692 -2.446 11.941 507 HZ3 LYS 67 HZ3 LYS 67 -2.659 -1.806 13.139 508 H THR 68 HN THR 68 -0.758 -1.489 8.905 509 HA THR 68 HA THR 68 -3.164 -0.338 7.692 510 HB THR 68 HB THR 68 -2.556 1.735 8.882 511 HG1 THR 68 HG1 THR 68 -0.729 1.576 10.354 512 HG21 THR 68 HG21 THR 68 -3.842 0.072 10.152 513 HG22 THR 68 HG22 THR 68 -2.752 0.979 11.205 514 HG23 THR 68 HG23 THR 68 -2.341 -0.664 10.703 515 H VAL 69 HN VAL 69 -2.615 1.932 6.571 516 HA VAL 69 HA VAL 69 -0.525 1.373 4.701 517 HB VAL 69 HB VAL 69 -1.013 3.505 3.630 518 HG11 VAL 69 HG11 VAL 69 -2.474 1.679 3.055 519 HG12 VAL 69 HG12 VAL 69 -3.362 3.203 3.038 520 HG13 VAL 69 HG13 VAL 69 -3.550 2.088 4.392 521 HG21 VAL 69 HG21 VAL 69 -2.862 4.046 5.934 522 HG22 VAL 69 HG22 VAL 69 -2.713 5.036 4.480 523 HG23 VAL 69 HG23 VAL 69 -1.348 4.877 5.586 524 H GLY 70 HN GLY 70 -0.815 2.988 7.681 525 HA2 GLY 70 HA2 GLY 70 1.494 4.643 7.494 526 HA3 GLY 70 HA1 GLY 70 0.705 4.127 8.984 527 H ASP 71 HN ASP 71 0.831 1.421 8.734 528 HA ASP 71 HA ASP 71 3.450 0.812 9.612 529 HB2 ASP 71 HB2 ASP 71 1.382 -0.377 10.340 530 HB3 ASP 71 HB1 ASP 71 1.220 -1.046 8.728 531 H ALA 72 HN ALA 72 1.834 0.675 6.576 532 HA ALA 72 HA ALA 72 3.794 -0.926 5.244 533 HB1 ALA 72 HB1 ALA 72 2.552 -0.401 3.209 534 HB2 ALA 72 HB2 ALA 72 1.612 0.808 4.083 535 HB3 ALA 72 HB3 ALA 72 1.455 -0.899 4.497 536 H THR 73 HN THR 73 2.994 2.546 5.376 537 HA THR 73 HA THR 73 4.929 3.320 3.592 538 HB THR 73 HB THR 73 4.888 5.562 4.716 539 HG1 THR 73 HG1 THR 73 3.565 4.178 6.650 540 HG21 THR 73 HG21 THR 73 2.258 4.367 3.878 541 HG22 THR 73 HG22 THR 73 3.480 5.066 2.814 542 HG23 THR 73 HG23 THR 73 2.615 6.092 3.957 543 H LYS 74 HN LYS 74 5.253 2.455 6.910 544 HA LYS 74 HA LYS 74 7.744 3.612 7.443 545 HB2 LYS 74 HB2 LYS 74 6.335 2.604 9.189 546 HB3 LYS 74 HB1 LYS 74 6.590 1.015 8.482 547 HG2 LYS 74 HG2 LYS 74 8.968 1.147 9.003 548 HG3 LYS 74 HG1 LYS 74 8.739 2.761 9.674 549 HD2 LYS 74 HD2 LYS 74 7.470 0.222 10.712 550 HD3 LYS 74 HD1 LYS 74 8.855 1.043 11.427 551 HE2 LYS 74 HE2 LYS 74 6.057 2.142 11.148 552 HE3 LYS 74 HE1 LYS 74 6.822 1.596 12.639 553 HZ1 LYS 74 HZ1 LYS 74 7.589 3.965 10.999 554 HZ2 LYS 74 HZ2 LYS 74 8.524 3.362 12.238 555 HZ3 LYS 74 HZ3 LYS 74 6.994 3.968 12.584 556 H TYR 75 HN TYR 75 6.885 0.402 6.194 557 HA TYR 75 HA TYR 75 9.428 -0.685 5.862 558 HB2 TYR 75 HB2 TYR 75 7.472 -2.079 5.569 559 HB3 TYR 75 HB1 TYR 75 6.928 -1.104 4.208 560 HD1 TYR 75 HD1 TYR 75 9.618 -3.407 5.310 561 HD2 TYR 75 HD2 TYR 75 7.657 -1.611 1.973 562 HE1 TYR 75 HE1 TYR 75 10.853 -4.874 3.776 563 HE2 TYR 75 HE2 TYR 75 8.889 -3.082 0.461 564 HH TYR 75 HH TYR 75 10.726 -4.462 0.316 565 H ILE 76 HN ILE 76 7.536 1.284 3.725 566 HA ILE 76 HA ILE 76 9.319 1.165 1.515 567 HB ILE 76 HB ILE 76 7.135 3.169 2.140 568 HG12 ILE 76 HG12 ILE 76 6.977 0.645 0.488 569 HG13 ILE 76 HG11 ILE 76 6.460 0.746 2.167 570 HG21 ILE 76 HG21 ILE 76 7.078 3.487 -0.295 571 HG22 ILE 76 HG22 ILE 76 8.420 2.355 -0.477 572 HG23 ILE 76 HG23 ILE 76 8.670 3.894 0.355 573 HD11 ILE 76 HD11 ILE 76 4.863 2.433 1.578 574 HD12 ILE 76 HD12 ILE 76 4.584 0.941 0.660 575 HD13 ILE 76 HD13 ILE 76 5.355 2.344 -0.113 576 H LEU 77 HN LEU 77 8.369 3.928 3.577 577 HA LEU 77 HA LEU 77 10.216 5.774 2.726 578 HB2 LEU 77 HB2 LEU 77 8.218 6.262 4.005 579 HB3 LEU 77 HB1 LEU 77 8.967 5.467 5.375 580 HG LEU 77 HG LEU 77 10.699 7.248 5.408 581 HD11 LEU 77 HD11 LEU 77 10.572 7.948 3.086 582 HD12 LEU 77 HD12 LEU 77 10.300 9.313 4.169 583 HD13 LEU 77 HD13 LEU 77 8.936 8.557 3.348 584 HD21 LEU 77 HD21 LEU 77 7.853 8.200 5.634 585 HD22 LEU 77 HD22 LEU 77 9.260 8.938 6.410 586 HD23 LEU 77 HD23 LEU 77 8.744 7.306 6.858 587 H ASP 78 HN ASP 78 10.586 3.335 5.206 588 HA ASP 78 HA ASP 78 12.948 4.426 6.368 589 HB2 ASP 78 HB2 ASP 78 11.657 2.798 7.603 590 HB3 ASP 78 HB1 ASP 78 11.945 1.580 6.369 591 H HIS 79 HN HIS 79 12.429 2.314 3.677 592 HA HIS 79 HA HIS 79 15.348 1.955 3.405 593 HB2 HIS 79 HB2 HIS 79 13.125 0.393 2.064 594 HB3 HIS 79 HB1 HIS 79 14.846 0.084 1.881 595 HD1 HIS 79 HD1 HIS 79 11.952 -0.733 3.967 596 HD2 HIS 79 HD2 HIS 79 16.082 -0.878 4.366 597 HE1 HIS 79 HE1 HIS 79 12.394 -2.308 5.866 598 HE2 HIS 79 HE2 HIS 79 14.844 -2.114 6.275 599 H GLN 80 HN GLN 80 12.513 2.377 1.359 600 HA GLN 80 HA GLN 80 12.146 3.120 -0.709 601 HB2 GLN 80 HB2 GLN 80 13.962 5.388 0.140 602 HB3 GLN 80 HB1 GLN 80 12.730 5.444 -1.114 603 HG2 GLN 80 HG2 GLN 80 11.117 4.796 0.753 604 HG3 GLN 80 HG1 GLN 80 12.414 5.281 1.837 605 HE21 GLN 80 HE21 GLN 80 10.032 6.263 -0.352 606 HE22 GLN 80 HE22 GLN 80 10.108 7.964 -0.040 607 H ALA 81 HN ALA 81 13.655 4.680 -2.446 608 HA ALA 81 HA ALA 81 15.687 2.782 -3.267 609 HB1 ALA 81 HB1 ALA 81 14.233 4.949 -4.787 610 HB2 ALA 81 HB2 ALA 81 13.935 3.212 -4.909 611 HB3 ALA 81 HB3 ALA 81 15.468 3.888 -5.458 612 H28 SXO 101 H28B SXO 101 -7.379 -10.095 5.288 613 H28A SXO 101 H28A SXO 101 -6.951 -10.619 3.659 614 H30 SXO 101 H30A SXO 101 -8.751 -12.755 5.812 615 H30A SXO 101 H30C SXO 101 -7.388 -13.473 6.721 616 H30B SXO 101 H30B SXO 101 -7.783 -11.742 6.914 617 H31 SXO 101 H31A SXO 101 -6.397 -14.164 4.491 618 H31A SXO 101 H31B SXO 101 -6.214 -12.898 3.267 619 H31B SXO 101 H31C SXO 101 -7.826 -13.441 3.735 620 H32 SXO 101 H32A SXO 101 -5.458 -11.081 6.398 621 HO33 SXO 101 H33A SXO 101 -4.291 -13.470 6.139 622 HN36 SXO 101 H36A SXO 101 -5.355 -10.437 3.910 623 H37 SXO 101 H37A SXO 101 -2.625 -10.045 3.466 624 H37A SXO 101 H37B SXO 101 -3.196 -11.271 2.328 625 H38 SXO 101 H38B SXO 101 -4.805 -9.734 1.444 626 H38A SXO 101 H38A SXO 101 -3.220 -8.965 1.397 627 HN41 SXO 101 H41A SXO 101 -4.157 -8.932 4.403 628 H42 SXO 101 H42A SXO 101 -5.206 -6.164 4.375 629 H42A SXO 101 H42B SXO 101 -6.006 -7.430 5.245 630 H43 SXO 101 H43B SXO 101 -4.870 -6.524 6.905 631 H43A SXO 101 H43A SXO 101 -3.864 -7.897 6.438 632 H2 SXO 101 H2A SXO 101 0.145 -6.901 4.182 633 H2A SXO 101 H2B SXO 101 -0.051 -5.678 5.437 634 H3 SXO 101 H3B SXO 101 -1.257 -5.577 2.688 635 H3A SXO 101 H3A SXO 101 -1.401 -4.335 3.935 636 H4 SXO 101 H4A SXO 101 1.193 -5.284 2.724 637 H4A SXO 101 H4B SXO 101 0.998 -3.980 3.895 638 H5 SXO 101 H5B SXO 101 -0.068 -4.037 1.082 639 H5A SXO 101 H5A SXO 101 -0.385 -2.758 2.257 640 H6 SXO 101 H6A SXO 101 2.320 -3.576 1.195 641 H6A SXO 101 H6B SXO 101 2.033 -2.327 2.408 642 H7 SXO 101 H7A SXO 101 0.703 -1.051 0.778 643 H7A SXO 101 H7B SXO 101 1.018 -2.302 -0.440 644 H8 SXO 101 H8C SXO 101 3.090 -0.636 0.982 645 H8A SXO 101 H8A SXO 101 2.545 -0.405 -0.679 646 H8B SXO 101 H8B SXO 101 3.413 -1.874 -0.231
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