NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
646077 | 6tg5 | 34451 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY -4 HT1 GLY -4 7.422 -21.945 -10.016 2 HA2 GLY -4 HA1 GLY -4 5.562 -20.136 -11.440 3 HA3 GLY -4 HA2 GLY -4 5.223 -21.804 -10.996 4 H ILE -3 HN ILE -3 4.083 -19.095 -10.200 5 HA ILE -3 HA ILE -3 4.760 -18.822 -7.414 6 HB ILE -3 HB ILE -3 2.992 -17.105 -7.348 7 HG12 ILE -3 HG12 ILE -3 2.599 -17.763 -10.277 8 HG13 ILE -3 HG11 ILE -3 1.473 -18.184 -8.994 9 HG21 ILE -3 HG21 ILE -3 5.251 -16.493 -8.001 10 HG22 ILE -3 HG22 ILE -3 4.069 -15.517 -8.873 11 HG23 ILE -3 HG23 ILE -3 4.880 -16.856 -9.685 12 HD11 ILE -3 HD11 ILE -3 0.746 -16.214 -10.211 13 HD12 ILE -3 HD12 ILE -3 2.254 -15.395 -9.803 14 HD13 ILE -3 HD13 ILE -3 1.110 -15.824 -8.531 15 H ASP -2 HN ASP -2 3.402 -19.167 -5.654 16 HA ASP -2 HA ASP -2 1.085 -20.910 -6.129 17 HB2 ASP -2 HB2 ASP -2 3.175 -20.974 -3.957 18 HB3 ASP -2 HB1 ASP -2 1.610 -21.738 -3.759 19 HA PRO -1 HA PRO -1 -1.538 -18.090 -3.874 20 HB2 PRO -1 HB2 PRO -1 -1.915 -20.267 -1.859 21 HB3 PRO -1 HB1 PRO -1 -3.126 -19.267 -2.669 22 HG2 PRO -1 HG2 PRO -1 -2.726 -21.778 -3.439 23 HG3 PRO -1 HG1 PRO -1 -3.028 -20.501 -4.631 24 HD2 PRO -1 HD2 PRO -1 -0.480 -21.877 -3.932 25 HD3 PRO -1 HD1 PRO -1 -1.032 -21.247 -5.496 26 H PHE 0 HN PHE 0 0.584 -20.109 -1.898 27 HA PHE 0 HA PHE 0 0.676 -18.413 0.354 28 HB2 PHE 0 HB2 PHE 0 2.703 -20.469 -0.543 29 HB3 PHE 0 HB1 PHE 0 2.558 -19.793 1.076 30 HD1 PHE 0 HD1 PHE 0 0.453 -20.250 2.388 31 HD2 PHE 0 HD2 PHE 0 1.433 -22.320 -1.199 32 HE1 PHE 0 HE1 PHE 0 -1.124 -22.039 2.993 33 HE2 PHE 0 HE2 PHE 0 -0.143 -24.112 -0.600 34 HZ PHE 0 HZ PHE 0 -1.425 -23.971 1.497 35 H THR 1 HN THR 1 2.788 -18.703 -2.486 36 HA THR 1 HA THR 1 4.601 -16.710 -1.450 37 HB THR 1 HB THR 1 5.612 -16.954 -3.821 38 HG1 THR 1 HG1 THR 1 4.967 -19.291 -4.456 39 HG21 THR 1 HG21 THR 1 5.549 -19.308 -1.931 40 HG22 THR 1 HG22 THR 1 6.609 -17.907 -1.801 41 HG23 THR 1 HG23 THR 1 6.772 -19.011 -3.166 42 H LEU 2 HN LEU 2 1.761 -16.777 -3.359 43 HA LEU 2 HA LEU 2 2.073 -14.422 -4.855 44 HB2 LEU 2 HB2 LEU 2 0.249 -16.029 -5.218 45 HB3 LEU 2 HB1 LEU 2 -0.443 -15.598 -3.667 46 HG LEU 2 HG LEU 2 -0.813 -13.290 -4.509 47 HD11 LEU 2 HD11 LEU 2 0.075 -14.453 -7.143 48 HD12 LEU 2 HD12 LEU 2 0.929 -13.228 -6.205 49 HD13 LEU 2 HD13 LEU 2 -0.646 -12.861 -6.906 50 HD21 LEU 2 HD21 LEU 2 -2.673 -13.876 -6.019 51 HD22 LEU 2 HD22 LEU 2 -2.624 -14.881 -4.571 52 HD23 LEU 2 HD23 LEU 2 -2.050 -15.523 -6.110 53 H ASN 3 HN ASN 3 1.198 -14.986 -1.511 54 HA ASN 3 HA ASN 3 0.353 -12.393 -0.844 55 HB2 ASN 3 HB2 ASN 3 1.669 -14.547 0.811 56 HB3 ASN 3 HB1 ASN 3 1.093 -13.031 1.496 57 HD21 ASN 3 HD21 ASN 3 -1.113 -12.631 1.585 58 HD22 ASN 3 HD22 ASN 3 -2.282 -13.892 1.407 59 H HIS 4 HN HIS 4 3.529 -13.805 -1.210 60 HA HIS 4 HA HIS 4 4.919 -11.504 -0.189 61 HB2 HIS 4 HB2 HIS 4 5.836 -13.929 -1.735 62 HB3 HIS 4 HB1 HIS 4 6.925 -12.621 -1.291 63 HD1 HIS 4 HD1 HIS 4 7.048 -15.647 -0.284 64 HD2 HIS 4 HD2 HIS 4 5.625 -12.370 1.839 65 HE1 HIS 4 HE1 HIS 4 7.268 -16.265 2.145 66 HE2 HIS 4 HE2 HIS 4 6.285 -14.319 3.407 67 H GLN 5 HN GLN 5 3.960 -12.758 -3.331 68 HA GLN 5 HA GLN 5 5.381 -10.967 -4.947 69 HB2 GLN 5 HB2 GLN 5 4.362 -12.925 -5.911 70 HB3 GLN 5 HB1 GLN 5 2.759 -12.383 -5.428 71 HG2 GLN 5 HG2 GLN 5 2.970 -10.465 -6.948 72 HG3 GLN 5 HG1 GLN 5 4.547 -11.063 -7.458 73 HE21 GLN 5 HE21 GLN 5 2.044 -10.608 -8.939 74 HE22 GLN 5 HE22 GLN 5 1.688 -12.111 -9.715 75 H VAL 6 HN VAL 6 2.074 -10.743 -3.643 76 HA VAL 6 HA VAL 6 1.538 -8.230 -4.847 77 HB VAL 6 HB VAL 6 -0.269 -9.733 -4.126 78 HG11 VAL 6 HG11 VAL 6 0.545 -8.986 -1.322 79 HG12 VAL 6 HG12 VAL 6 0.677 -10.582 -2.061 80 HG13 VAL 6 HG13 VAL 6 -0.912 -9.875 -1.767 81 HG21 VAL 6 HG21 VAL 6 -0.768 -7.388 -4.463 82 HG22 VAL 6 HG22 VAL 6 -0.320 -7.030 -2.794 83 HG23 VAL 6 HG23 VAL 6 -1.733 -8.030 -3.133 84 H MET 7 HN MET 7 2.899 -9.179 -1.749 85 HA MET 7 HA MET 7 2.896 -6.610 -0.554 86 HB2 MET 7 HB2 MET 7 3.225 -8.781 0.659 87 HB3 MET 7 HB1 MET 7 4.825 -8.889 -0.058 88 HG2 MET 7 HG2 MET 7 5.023 -8.070 2.177 89 HG3 MET 7 HG1 MET 7 5.426 -6.770 1.058 90 HE1 MET 7 HE1 MET 7 5.190 -5.082 3.132 91 HE2 MET 7 HE2 MET 7 4.723 -6.418 4.183 92 HE3 MET 7 HE3 MET 7 3.735 -4.959 4.121 93 H ASP 8 HN ASP 8 5.264 -8.412 -2.451 94 HA ASP 8 HA ASP 8 7.286 -6.437 -2.481 95 HB2 ASP 8 HB2 ASP 8 7.830 -8.707 -3.050 96 HB3 ASP 8 HB1 ASP 8 6.644 -8.723 -4.349 97 H GLN 9 HN GLN 9 4.457 -7.018 -4.439 98 HA GLN 9 HA GLN 9 5.069 -5.390 -6.636 99 HB2 GLN 9 HB2 GLN 9 3.251 -7.057 -6.603 100 HB3 GLN 9 HB1 GLN 9 2.357 -6.052 -5.473 101 HG2 GLN 9 HG2 GLN 9 2.109 -4.327 -7.129 102 HG3 GLN 9 HG1 GLN 9 3.134 -5.216 -8.256 103 HE21 GLN 9 HE21 GLN 9 0.023 -5.074 -6.717 104 HE22 GLN 9 HE22 GLN 9 -0.771 -6.195 -7.768 105 H VAL 10 HN VAL 10 3.155 -4.644 -3.709 106 HA VAL 10 HA VAL 10 2.835 -1.911 -4.404 107 HB VAL 10 HB VAL 10 2.126 -1.608 -2.031 108 HG11 VAL 10 HG11 VAL 10 0.099 -2.984 -2.218 109 HG12 VAL 10 HG12 VAL 10 0.857 -3.896 -3.523 110 HG13 VAL 10 HG13 VAL 10 0.502 -2.182 -3.735 111 HG21 VAL 10 HG21 VAL 10 1.874 -3.545 -0.591 112 HG22 VAL 10 HG22 VAL 10 3.569 -3.320 -1.027 113 HG23 VAL 10 HG23 VAL 10 2.613 -4.572 -1.818 114 H PHE 11 HN PHE 11 5.246 -3.707 -2.607 115 HA PHE 11 HA PHE 11 6.585 -1.592 -1.362 116 HB2 PHE 11 HB2 PHE 11 7.100 -3.880 -0.787 117 HB3 PHE 11 HB1 PHE 11 7.631 -4.221 -2.429 118 HD1 PHE 11 HD1 PHE 11 8.413 -1.973 0.439 119 HD2 PHE 11 HD2 PHE 11 9.881 -4.154 -2.906 120 HE1 PHE 11 HE1 PHE 11 10.716 -1.379 1.066 121 HE2 PHE 11 HE2 PHE 11 12.186 -3.563 -2.284 122 HZ PHE 11 HZ PHE 11 12.605 -2.173 -0.297 123 H ASP 12 HN ASP 12 7.185 -3.095 -4.533 124 HA ASP 12 HA ASP 12 9.262 -1.433 -5.379 125 HB2 ASP 12 HB2 ASP 12 8.779 -3.402 -6.636 126 HB3 ASP 12 HB1 ASP 12 7.122 -2.893 -6.929 127 H GLN 13 HN GLN 13 5.770 -1.009 -5.596 128 HA GLN 13 HA GLN 13 5.793 1.336 -7.158 129 HB2 GLN 13 HB2 GLN 13 3.803 -0.150 -6.655 130 HB3 GLN 13 HB1 GLN 13 3.736 0.610 -5.072 131 HG2 GLN 13 HG2 GLN 13 2.138 1.652 -6.516 132 HG3 GLN 13 HG1 GLN 13 3.432 2.798 -6.169 133 HE21 GLN 13 HE21 GLN 13 2.933 3.993 -8.020 134 HE22 GLN 13 HE22 GLN 13 3.346 3.438 -9.603 135 H VAL 14 HN VAL 14 5.588 0.859 -3.633 136 HA VAL 14 HA VAL 14 5.548 3.560 -2.892 137 HB VAL 14 HB VAL 14 6.649 1.199 -1.351 138 HG11 VAL 14 HG11 VAL 14 5.877 3.947 -0.369 139 HG12 VAL 14 HG12 VAL 14 7.514 3.299 -0.454 140 HG13 VAL 14 HG13 VAL 14 6.339 2.584 0.650 141 HG21 VAL 14 HG21 VAL 14 4.475 1.238 -0.210 142 HG22 VAL 14 HG22 VAL 14 4.300 0.943 -1.941 143 HG23 VAL 14 HG23 VAL 14 3.948 2.538 -1.277 144 H GLU 15 HN GLU 15 8.285 1.341 -3.329 145 HA GLU 15 HA GLU 15 10.358 2.992 -2.502 146 HB2 GLU 15 HB2 GLU 15 10.711 0.650 -3.016 147 HB3 GLU 15 HB1 GLU 15 10.309 0.922 -4.705 148 HG2 GLU 15 HG2 GLU 15 12.293 2.313 -4.962 149 HG3 GLU 15 HG1 GLU 15 12.693 2.064 -3.264 150 H HIS 16 HN HIS 16 8.867 2.729 -5.705 151 HA HIS 16 HA HIS 16 10.544 4.603 -6.990 152 HB2 HIS 16 HB2 HIS 16 9.132 2.950 -8.184 153 HB3 HIS 16 HB1 HIS 16 7.699 3.839 -7.687 154 HD1 HIS 16 HD1 HIS 16 10.426 3.811 -10.184 155 HD2 HIS 16 HD2 HIS 16 7.345 6.346 -9.020 156 HE1 HIS 16 HE1 HIS 16 10.210 5.499 -12.027 157 HE2 HIS 16 HE2 HIS 16 8.432 7.100 -11.245 158 H GLN 17 HN GLN 17 7.566 4.931 -5.154 159 HA GLN 17 HA GLN 17 7.107 7.652 -5.897 160 HB2 GLN 17 HB2 GLN 17 6.027 6.124 -3.520 161 HB3 GLN 17 HB1 GLN 17 5.401 7.645 -4.144 162 HG2 GLN 17 HG2 GLN 17 5.417 5.005 -5.589 163 HG3 GLN 17 HG1 GLN 17 4.020 5.775 -4.840 164 HE21 GLN 17 HE21 GLN 17 4.661 4.983 -7.645 165 HE22 GLN 17 HE22 GLN 17 4.385 6.409 -8.585 166 H ILE 18 HN ILE 18 8.715 6.038 -3.205 167 HA ILE 18 HA ILE 18 9.225 8.333 -1.649 168 HB ILE 18 HB ILE 18 10.793 5.759 -1.882 169 HG12 ILE 18 HG12 ILE 18 8.813 6.745 0.185 170 HG13 ILE 18 HG11 ILE 18 8.499 5.515 -1.033 171 HG21 ILE 18 HG21 ILE 18 11.836 6.402 0.263 172 HG22 ILE 18 HG22 ILE 18 11.076 7.989 0.129 173 HG23 ILE 18 HG23 ILE 18 12.274 7.481 -1.061 174 HD11 ILE 18 HD11 ILE 18 8.912 4.529 1.145 175 HD12 ILE 18 HD12 ILE 18 10.496 5.301 1.206 176 HD13 ILE 18 HD13 ILE 18 10.163 4.065 -0.008 177 H ALA 19 HN ALA 19 11.136 6.738 -4.181 178 HA ALA 19 HA ALA 19 13.313 8.501 -4.187 179 HB1 ALA 19 HB1 ALA 19 13.326 6.352 -5.359 180 HB2 ALA 19 HB2 ALA 19 13.766 7.674 -6.440 181 HB3 ALA 19 HB3 ALA 19 12.150 6.974 -6.516 182 H GLN 20 HN GLN 20 10.186 8.655 -5.795 183 HA GLN 20 HA GLN 20 10.636 10.924 -7.385 184 HB2 GLN 20 HB2 GLN 20 8.708 9.498 -7.727 185 HB3 GLN 20 HB1 GLN 20 8.100 9.870 -6.120 186 HG2 GLN 20 HG2 GLN 20 7.831 12.225 -6.813 187 HG3 GLN 20 HG1 GLN 20 8.341 11.771 -8.439 188 HE21 GLN 20 HE21 GLN 20 6.957 10.586 -9.735 189 HE22 GLN 20 HE22 GLN 20 5.284 10.373 -9.358 190 H VAL 21 HN VAL 21 9.299 10.623 -4.100 191 HA VAL 21 HA VAL 21 8.770 13.339 -3.669 192 HB VAL 21 HB VAL 21 9.486 11.216 -1.636 193 HG11 VAL 21 HG11 VAL 21 8.198 13.915 -1.242 194 HG12 VAL 21 HG12 VAL 21 9.805 13.434 -0.696 195 HG13 VAL 21 HG13 VAL 21 8.373 12.673 -0.002 196 HG21 VAL 21 HG21 VAL 21 7.512 10.658 -2.954 197 HG22 VAL 21 HG22 VAL 21 6.808 12.233 -2.585 198 HG23 VAL 21 HG23 VAL 21 7.065 11.057 -1.296 199 H LEU 22 HN LEU 22 11.587 11.443 -2.542 200 HA LEU 22 HA LEU 22 12.981 13.658 -1.504 201 HB2 LEU 22 HB2 LEU 22 13.790 10.892 -2.311 202 HB3 LEU 22 HB1 LEU 22 15.022 12.068 -1.903 203 HG LEU 22 HG LEU 22 13.995 12.337 0.336 204 HD11 LEU 22 HD11 LEU 22 11.704 11.719 -0.209 205 HD12 LEU 22 HD12 LEU 22 12.335 10.722 1.102 206 HD13 LEU 22 HD13 LEU 22 12.217 10.061 -0.528 207 HD21 LEU 22 HD21 LEU 22 14.702 9.499 -0.394 208 HD22 LEU 22 HD22 LEU 22 14.739 10.195 1.227 209 HD23 LEU 22 HD23 LEU 22 15.845 10.785 -0.013 210 H GLY 23 HN GLY 23 12.975 12.160 -4.688 211 HA2 GLY 23 HA2 GLY 23 15.151 13.570 -5.785 212 HA3 GLY 23 HA1 GLY 23 13.842 12.836 -6.695 213 H ALA 24 HN ALA 24 11.700 14.337 -5.639 214 HA ALA 24 HA ALA 24 11.881 16.675 -7.247 215 HB1 ALA 24 HB1 ALA 24 9.787 15.938 -5.204 216 HB2 ALA 24 HB2 ALA 24 9.779 15.460 -6.902 217 HB3 ALA 24 HB3 ALA 24 9.631 17.161 -6.463 218 H LYS 25 HN LYS 25 12.053 16.079 -3.771 219 HA LYS 25 HA LYS 25 12.092 18.852 -3.077 220 HB2 LYS 25 HB2 LYS 25 12.940 16.455 -1.445 221 HB3 LYS 25 HB1 LYS 25 12.680 18.078 -0.822 222 HG2 LYS 25 HG2 LYS 25 10.312 17.917 -1.555 223 HG3 LYS 25 HG1 LYS 25 10.613 16.238 -2.005 224 HD2 LYS 25 HD2 LYS 25 9.638 16.198 0.157 225 HD3 LYS 25 HD1 LYS 25 11.355 15.852 0.374 226 HE2 LYS 25 HE2 LYS 25 11.733 18.206 0.976 227 HE3 LYS 25 HE1 LYS 25 10.007 18.519 0.793 228 HZ1 LYS 25 HZ1 LYS 25 9.632 16.815 2.543 229 HZ2 LYS 25 HZ2 LYS 25 10.465 18.187 3.085 230 HZ3 LYS 25 HZ3 LYS 25 11.309 16.752 2.787 231 H GLY 26 HN GLY 26 14.456 16.608 -4.146 232 HA2 GLY 26 HA2 GLY 26 16.524 17.335 -5.036 233 HA3 GLY 26 HA1 GLY 26 16.446 18.750 -3.998 234 H GLY 27 HN GLY 27 15.738 15.714 -2.549 235 HA2 GLY 27 HA2 GLY 27 18.257 15.929 -1.047 236 HA3 GLY 27 HA1 GLY 27 16.802 15.112 -0.492 237 HA PRO 28 HA PRO 28 20.093 12.314 -2.784 238 HB2 PRO 28 HB2 PRO 28 21.048 11.151 -0.442 239 HB3 PRO 28 HB1 PRO 28 21.887 12.380 -1.391 240 HG2 PRO 28 HG2 PRO 28 20.236 12.689 1.073 241 HG3 PRO 28 HG1 PRO 28 21.717 13.539 0.600 242 HD2 PRO 28 HD2 PRO 28 19.313 14.705 0.404 243 HD3 PRO 28 HD1 PRO 28 20.579 14.991 -0.808 244 H LEU 29 HN LEU 29 19.435 10.310 -3.302 245 HA LEU 29 HA LEU 29 16.978 9.382 -2.124 246 HB2 LEU 29 HB2 LEU 29 18.638 8.178 -4.335 247 HB3 LEU 29 HB1 LEU 29 16.997 7.729 -3.919 248 HG LEU 29 HG LEU 29 17.878 10.396 -5.029 249 HD11 LEU 29 HD11 LEU 29 16.278 8.156 -6.257 250 HD12 LEU 29 HD12 LEU 29 17.918 8.634 -6.695 251 HD13 LEU 29 HD13 LEU 29 16.570 9.731 -6.992 252 HD21 LEU 29 HD21 LEU 29 16.027 10.698 -3.500 253 HD22 LEU 29 HD22 LEU 29 15.136 9.394 -4.281 254 HD23 LEU 29 HD23 LEU 29 15.468 10.885 -5.162 255 H VAL 30 HN VAL 30 16.928 8.138 -0.414 256 HA VAL 30 HA VAL 30 19.204 6.496 0.337 257 HB VAL 30 HB VAL 30 16.567 6.812 1.782 258 HG11 VAL 30 HG11 VAL 30 17.886 4.895 2.505 259 HG12 VAL 30 HG12 VAL 30 17.828 6.135 3.759 260 HG13 VAL 30 HG13 VAL 30 19.279 5.946 2.773 261 HG21 VAL 30 HG21 VAL 30 17.562 9.006 1.475 262 HG22 VAL 30 HG22 VAL 30 19.096 8.421 2.117 263 HG23 VAL 30 HG23 VAL 30 17.678 8.509 3.162 264 H ALA 31 HN ALA 31 19.060 4.234 0.656 265 HA ALA 31 HA ALA 31 17.434 2.868 -1.255 266 HB1 ALA 31 HB1 ALA 31 19.172 1.706 0.918 267 HB2 ALA 31 HB2 ALA 31 19.718 2.136 -0.700 268 HB3 ALA 31 HB3 ALA 31 18.533 0.849 -0.484 269 H VAL 32 HN VAL 32 15.470 2.108 -0.997 270 HA VAL 32 HA VAL 32 14.150 2.391 1.547 271 HB VAL 32 HB VAL 32 13.060 1.372 -1.081 272 HG11 VAL 32 HG11 VAL 32 10.866 1.875 -0.133 273 HG12 VAL 32 HG12 VAL 32 11.625 2.344 1.387 274 HG13 VAL 32 HG13 VAL 32 11.718 0.672 0.835 275 HG21 VAL 32 HG21 VAL 32 13.899 3.657 -1.268 276 HG22 VAL 32 HG22 VAL 32 12.936 4.133 0.131 277 HG23 VAL 32 HG23 VAL 32 12.139 3.621 -1.357 278 H GLU 33 HN GLU 33 14.659 0.852 2.980 279 HA GLU 33 HA GLU 33 14.555 -1.961 2.198 280 HB2 GLU 33 HB2 GLU 33 15.296 -0.633 4.812 281 HB3 GLU 33 HB1 GLU 33 15.342 -2.364 4.524 282 HG2 GLU 33 HG2 GLU 33 16.966 -0.317 3.036 283 HG3 GLU 33 HG1 GLU 33 17.551 -1.305 4.373 284 H ILE 34 HN ILE 34 13.085 -3.405 3.108 285 HA ILE 34 HA ILE 34 10.479 -2.331 3.276 286 HB ILE 34 HB ILE 34 10.925 -4.517 2.281 287 HG12 ILE 34 HG12 ILE 34 9.090 -5.810 3.378 288 HG13 ILE 34 HG11 ILE 34 9.082 -4.620 4.675 289 HG21 ILE 34 HG21 ILE 34 12.672 -5.323 3.718 290 HG22 ILE 34 HG22 ILE 34 11.343 -6.480 3.713 291 HG23 ILE 34 HG23 ILE 34 11.564 -5.397 5.086 292 HD11 ILE 34 HD11 ILE 34 8.438 -2.887 3.107 293 HD12 ILE 34 HD12 ILE 34 7.299 -4.234 3.055 294 HD13 ILE 34 HD13 ILE 34 8.501 -4.045 1.779 295 H ASP 35 HN ASP 35 12.778 -3.257 5.734 296 HA ASP 35 HA ASP 35 10.717 -3.055 7.813 297 HB2 ASP 35 HB2 ASP 35 13.618 -3.893 8.029 298 HB3 ASP 35 HB1 ASP 35 12.466 -3.877 9.357 299 H SER 36 HN SER 36 12.304 -0.886 6.167 300 HA SER 36 HA SER 36 13.599 0.578 8.300 301 HB2 SER 36 HB2 SER 36 14.590 0.583 6.061 302 HB3 SER 36 HB1 SER 36 13.131 1.319 5.403 303 HG SER 36 HG SER 36 15.219 2.550 6.386 304 H ARG 37 HN ARG 37 13.015 2.619 9.004 305 HA ARG 37 HA ARG 37 10.156 3.107 9.118 306 HB2 ARG 37 HB2 ARG 37 12.428 4.685 10.341 307 HB3 ARG 37 HB1 ARG 37 10.731 4.782 10.778 308 HG2 ARG 37 HG2 ARG 37 10.768 2.633 11.768 309 HG3 ARG 37 HG1 ARG 37 12.359 2.279 11.092 310 HD2 ARG 37 HD2 ARG 37 11.725 4.374 13.166 311 HD3 ARG 37 HD1 ARG 37 12.534 2.834 13.452 312 HE ARG 37 HE ARG 37 14.097 4.021 11.583 313 HH11 ARG 37 HH11 ARG 37 12.890 5.018 14.715 314 HH12 ARG 37 HH12 ARG 37 14.241 6.054 15.047 315 HH21 ARG 37 HH21 ARG 37 15.881 5.402 12.013 316 HH22 ARG 37 HH22 ARG 37 15.932 6.270 13.520 317 H PHE 38 HN PHE 38 9.116 4.863 8.207 318 HA PHE 38 HA PHE 38 10.196 6.000 5.879 319 HB2 PHE 38 HB2 PHE 38 7.849 6.839 7.581 320 HB3 PHE 38 HB1 PHE 38 8.259 7.623 6.060 321 HD1 PHE 38 HD1 PHE 38 6.154 5.324 7.464 322 HD2 PHE 38 HD2 PHE 38 8.740 5.764 4.114 323 HE1 PHE 38 HE1 PHE 38 4.872 3.609 6.256 324 HE2 PHE 38 HE2 PHE 38 7.460 4.052 2.898 325 HZ PHE 38 HZ PHE 38 5.517 3.001 3.941 326 H SER 39 HN SER 39 10.039 7.192 9.188 327 HA SER 39 HA SER 39 11.019 9.787 8.655 328 HB2 SER 39 HB2 SER 39 9.862 9.140 10.751 329 HB3 SER 39 HB1 SER 39 11.256 8.159 11.200 330 HG SER 39 HG SER 39 11.044 10.440 12.027 331 H ASP 40 HN ASP 40 12.556 6.694 8.944 332 HA ASP 40 HA ASP 40 15.194 7.754 9.442 333 HB2 ASP 40 HB2 ASP 40 14.372 5.471 10.205 334 HB3 ASP 40 HB1 ASP 40 14.493 4.960 8.524 335 H LEU 41 HN LEU 41 13.295 6.650 6.723 336 HA LEU 41 HA LEU 41 15.415 6.697 4.817 337 HB2 LEU 41 HB2 LEU 41 12.421 6.795 4.472 338 HB3 LEU 41 HB1 LEU 41 13.557 6.653 3.144 339 HG LEU 41 HG LEU 41 13.267 4.636 5.374 340 HD11 LEU 41 HD11 LEU 41 11.276 4.696 3.978 341 HD12 LEU 41 HD12 LEU 41 12.206 3.228 3.679 342 HD13 LEU 41 HD13 LEU 41 12.273 4.564 2.529 343 HD21 LEU 41 HD21 LEU 41 15.501 4.670 4.418 344 HD22 LEU 41 HD22 LEU 41 14.827 4.571 2.792 345 HD23 LEU 41 HD23 LEU 41 14.637 3.220 3.908 346 H GLY 42 HN GLY 42 13.581 9.140 6.318 347 HA2 GLY 42 HA2 GLY 42 14.577 11.378 6.059 348 HA3 GLY 42 HA1 GLY 42 14.613 11.067 4.331 349 H LEU 43 HN LEU 43 11.793 9.766 5.380 350 HA LEU 43 HA LEU 43 10.266 12.019 4.400 351 HB2 LEU 43 HB2 LEU 43 9.417 9.289 5.376 352 HB3 LEU 43 HB1 LEU 43 8.297 10.504 4.806 353 HG LEU 43 HG LEU 43 8.602 8.947 3.046 354 HD11 LEU 43 HD11 LEU 43 9.585 10.308 1.258 355 HD12 LEU 43 HD12 LEU 43 10.236 11.406 2.475 356 HD13 LEU 43 HD13 LEU 43 8.492 11.225 2.294 357 HD21 LEU 43 HD21 LEU 43 11.574 9.332 3.360 358 HD22 LEU 43 HD22 LEU 43 10.788 8.383 2.101 359 HD23 LEU 43 HD23 LEU 43 10.652 7.889 3.787 360 H SER 44 HN SER 44 9.483 13.575 5.661 361 HA SER 44 HA SER 44 9.373 13.187 8.539 362 HB2 SER 44 HB2 SER 44 8.670 15.632 6.894 363 HB3 SER 44 HB1 SER 44 8.935 15.576 8.638 364 HG SER 44 HG SER 44 11.101 14.651 7.914 365 H SER 45 HN SER 45 7.232 14.541 9.412 366 HA SER 45 HA SER 45 5.158 12.705 9.165 367 HB2 SER 45 HB2 SER 45 5.000 15.598 10.038 368 HB3 SER 45 HB1 SER 45 3.775 14.369 10.350 369 HG SER 45 HG SER 45 6.448 14.437 11.311 370 H LEU 46 HN LEU 46 5.501 15.896 7.630 371 HA LEU 46 HA LEU 46 3.053 15.761 6.207 372 HB2 LEU 46 HB2 LEU 46 4.182 17.880 6.668 373 HB3 LEU 46 HB1 LEU 46 5.533 17.395 5.663 374 HG LEU 46 HG LEU 46 4.084 17.421 3.684 375 HD11 LEU 46 HD11 LEU 46 1.964 18.399 5.590 376 HD12 LEU 46 HD12 LEU 46 1.973 16.851 4.744 377 HD13 LEU 46 HD13 LEU 46 1.828 18.353 3.833 378 HD21 LEU 46 HD21 LEU 46 3.752 19.845 3.562 379 HD22 LEU 46 HD22 LEU 46 5.313 19.435 4.274 380 HD23 LEU 46 HD23 LEU 46 3.984 19.960 5.308 381 H ASP 47 HN ASP 47 6.351 14.802 5.438 382 HA ASP 47 HA ASP 47 5.891 14.352 2.670 383 HB2 ASP 47 HB2 ASP 47 8.005 13.131 4.455 384 HB3 ASP 47 HB1 ASP 47 8.012 13.122 2.696 385 H LEU 48 HN LEU 48 5.707 12.350 5.546 386 HA LEU 48 HA LEU 48 5.293 9.861 4.323 387 HB2 LEU 48 HB2 LEU 48 5.776 10.362 6.762 388 HB3 LEU 48 HB1 LEU 48 4.090 10.800 6.932 389 HG LEU 48 HG LEU 48 4.875 8.064 5.961 390 HD11 LEU 48 HD11 LEU 48 4.593 8.969 8.823 391 HD12 LEU 48 HD12 LEU 48 6.076 8.415 8.046 392 HD13 LEU 48 HD13 LEU 48 4.734 7.295 8.286 393 HD21 LEU 48 HD21 LEU 48 2.531 8.735 5.729 394 HD22 LEU 48 HD22 LEU 48 2.467 9.111 7.450 395 HD23 LEU 48 HD23 LEU 48 2.717 7.448 6.920 396 H ALA 49 HN ALA 49 2.991 12.335 5.404 397 HA ALA 49 HA ALA 49 0.629 11.049 4.606 398 HB1 ALA 49 HB1 ALA 49 1.221 14.004 4.750 399 HB2 ALA 49 HB2 ALA 49 0.640 12.994 6.075 400 HB3 ALA 49 HB3 ALA 49 -0.384 13.280 4.668 401 H THR 50 HN THR 50 2.812 13.213 2.888 402 HA THR 50 HA THR 50 1.358 13.436 0.498 403 HB THR 50 HB THR 50 4.368 13.500 0.809 404 HG1 THR 50 HG1 THR 50 3.530 14.996 2.237 405 HG21 THR 50 HG21 THR 50 4.298 14.993 -1.132 406 HG22 THR 50 HG22 THR 50 2.546 14.814 -1.216 407 HG23 THR 50 HG23 THR 50 3.590 13.426 -1.522 408 H LEU 51 HN LEU 51 3.879 11.158 1.513 409 HA LEU 51 HA LEU 51 4.155 9.724 -0.856 410 HB2 LEU 51 HB2 LEU 51 5.652 9.509 1.076 411 HB3 LEU 51 HB1 LEU 51 4.374 8.729 1.986 412 HG LEU 51 HG LEU 51 4.401 6.856 0.352 413 HD11 LEU 51 HD11 LEU 51 6.820 8.286 -0.742 414 HD12 LEU 51 HD12 LEU 51 5.283 8.054 -1.574 415 HD13 LEU 51 HD13 LEU 51 6.295 6.663 -1.186 416 HD21 LEU 51 HD21 LEU 51 5.642 6.710 2.441 417 HD22 LEU 51 HD22 LEU 51 7.038 7.472 1.680 418 HD23 LEU 51 HD23 LEU 51 6.498 5.881 1.142 419 H ILE 52 HN ILE 52 1.914 9.221 1.843 420 HA ILE 52 HA ILE 52 0.657 6.907 0.872 421 HB ILE 52 HB ILE 52 -0.512 9.118 2.573 422 HG12 ILE 52 HG12 ILE 52 0.794 6.490 3.312 423 HG13 ILE 52 HG11 ILE 52 1.467 8.094 3.575 424 HG21 ILE 52 HG21 ILE 52 -2.141 7.417 3.300 425 HG22 ILE 52 HG22 ILE 52 -1.491 6.305 2.096 426 HG23 ILE 52 HG23 ILE 52 -2.282 7.795 1.584 427 HD11 ILE 52 HD11 ILE 52 0.557 7.159 5.624 428 HD12 ILE 52 HD12 ILE 52 -1.024 6.999 4.860 429 HD13 ILE 52 HD13 ILE 52 -0.336 8.599 5.134 430 H SER 53 HN SER 53 -0.161 10.334 0.448 431 HA SER 53 HA SER 53 -2.472 9.946 -1.098 432 HB2 SER 53 HB2 SER 53 -0.564 12.294 -1.134 433 HB3 SER 53 HB1 SER 53 -2.242 12.305 -1.679 434 HG SER 53 HG SER 53 -1.417 12.865 0.704 435 H ASN 54 HN ASN 54 0.931 10.195 -1.984 436 HA ASN 54 HA ASN 54 0.571 10.329 -4.783 437 HB2 ASN 54 HB2 ASN 54 2.876 9.421 -3.066 438 HB3 ASN 54 HB1 ASN 54 2.955 9.372 -4.823 439 HD21 ASN 54 HD21 ASN 54 4.651 10.852 -4.830 440 HD22 ASN 54 HD22 ASN 54 4.399 12.532 -4.510 441 H LEU 55 HN LEU 55 0.636 7.663 -2.524 442 HA LEU 55 HA LEU 55 0.726 5.661 -4.599 443 HB2 LEU 55 HB2 LEU 55 1.690 5.319 -2.329 444 HB3 LEU 55 HB1 LEU 55 0.068 5.356 -1.669 445 HG LEU 55 HG LEU 55 -0.502 3.339 -2.966 446 HD11 LEU 55 HD11 LEU 55 1.314 2.071 -4.047 447 HD12 LEU 55 HD12 LEU 55 2.395 3.440 -3.790 448 HD13 LEU 55 HD13 LEU 55 0.990 3.609 -4.844 449 HD21 LEU 55 HD21 LEU 55 0.881 1.766 -1.683 450 HD22 LEU 55 HD22 LEU 55 0.294 3.097 -0.685 451 HD23 LEU 55 HD23 LEU 55 1.965 3.088 -1.250 452 H GLU 56 HN GLU 56 -1.677 7.082 -2.453 453 HA GLU 56 HA GLU 56 -3.915 5.579 -3.113 454 HB2 GLU 56 HB2 GLU 56 -3.811 7.288 -1.319 455 HB3 GLU 56 HB1 GLU 56 -3.771 8.551 -2.537 456 HG2 GLU 56 HG2 GLU 56 -6.056 6.619 -2.369 457 HG3 GLU 56 HG1 GLU 56 -5.986 8.054 -1.352 458 H ALA 57 HN ALA 57 -2.541 8.415 -4.724 459 HA ALA 57 HA ALA 57 -4.566 8.699 -6.667 460 HB1 ALA 57 HB1 ALA 57 -1.692 9.591 -6.823 461 HB2 ALA 57 HB2 ALA 57 -3.000 10.487 -6.048 462 HB3 ALA 57 HB3 ALA 57 -3.038 10.202 -7.787 463 H VAL 58 HN VAL 58 -2.132 6.364 -6.359 464 HA VAL 58 HA VAL 58 -1.845 5.828 -9.187 465 HB VAL 58 HB VAL 58 -0.908 4.262 -6.774 466 HG11 VAL 58 HG11 VAL 58 -0.255 3.843 -9.688 467 HG12 VAL 58 HG12 VAL 58 -1.247 2.783 -8.687 468 HG13 VAL 58 HG13 VAL 58 0.469 2.982 -8.330 469 HG21 VAL 58 HG21 VAL 58 0.595 6.026 -8.702 470 HG22 VAL 58 HG22 VAL 58 1.310 5.090 -7.390 471 HG23 VAL 58 HG23 VAL 58 0.202 6.413 -7.027 472 H TYR 59 HN TYR 59 -3.186 4.045 -6.399 473 HA TYR 59 HA TYR 59 -4.383 2.117 -8.200 474 HB2 TYR 59 HB2 TYR 59 -4.447 2.294 -5.183 475 HB3 TYR 59 HB1 TYR 59 -5.092 0.960 -6.133 476 HD1 TYR 59 HD1 TYR 59 -3.148 0.252 -8.036 477 HD2 TYR 59 HD2 TYR 59 -2.519 1.715 -4.095 478 HE1 TYR 59 HE1 TYR 59 -0.946 -0.840 -7.988 479 HE2 TYR 59 HE2 TYR 59 -0.320 0.628 -4.033 480 HH TYR 59 HH TYR 59 0.860 -1.204 -5.117 481 H GLY 60 HN GLY 60 -5.365 4.880 -6.354 482 HA2 GLY 60 HA2 GLY 60 -7.399 6.005 -6.460 483 HA3 GLY 60 HA1 GLY 60 -8.064 4.675 -7.400 484 H THR 61 HN THR 61 -6.437 3.561 -4.713 485 HA THR 61 HA THR 61 -8.932 3.316 -3.175 486 HB THR 61 HB THR 61 -8.033 1.111 -2.394 487 HG1 THR 61 HG1 THR 61 -6.354 0.257 -3.930 488 HG21 THR 61 HG21 THR 61 -8.401 1.367 -5.383 489 HG22 THR 61 HG22 THR 61 -9.694 1.204 -4.194 490 HG23 THR 61 HG23 THR 61 -8.558 -0.121 -4.447 491 H ASP 62 HN ASP 62 -8.632 3.094 -0.859 492 HA ASP 62 HA ASP 62 -6.087 3.460 0.360 493 HB2 ASP 62 HB2 ASP 62 -6.441 5.772 -0.432 494 HB3 ASP 62 HB1 ASP 62 -7.972 5.824 0.438 495 HA PRO 63 HA PRO 63 -9.159 1.450 3.014 496 HB2 PRO 63 HB2 PRO 63 -6.854 0.122 4.206 497 HB3 PRO 63 HB1 PRO 63 -8.208 -0.581 3.320 498 HG2 PRO 63 HG2 PRO 63 -5.685 -0.494 2.324 499 HG3 PRO 63 HG1 PRO 63 -7.130 -0.438 1.297 500 HD2 PRO 63 HD2 PRO 63 -5.354 1.800 2.196 501 HD3 PRO 63 HD1 PRO 63 -6.099 1.515 0.607 502 H PHE 64 HN PHE 64 -9.887 2.622 4.665 503 HA PHE 64 HA PHE 64 -7.983 3.692 6.623 504 HB2 PHE 64 HB2 PHE 64 -10.817 4.381 5.928 505 HB3 PHE 64 HB1 PHE 64 -10.176 4.799 7.511 506 HD1 PHE 64 HD1 PHE 64 -7.840 6.041 7.438 507 HD2 PHE 64 HD2 PHE 64 -10.646 5.916 4.242 508 HE1 PHE 64 HE1 PHE 64 -6.834 8.072 6.480 509 HE2 PHE 64 HE2 PHE 64 -9.646 7.947 3.279 510 HZ PHE 64 HZ PHE 64 -7.761 9.061 4.448 511 H ALA 65 HN ALA 65 -9.555 0.929 6.151 512 HA ALA 65 HA ALA 65 -10.848 0.414 8.602 513 HB1 ALA 65 HB1 ALA 65 -11.167 -0.961 6.599 514 HB2 ALA 65 HB2 ALA 65 -10.687 -1.937 7.987 515 HB3 ALA 65 HB3 ALA 65 -9.509 -1.541 6.736 516 H ASP 66 HN ASP 66 -7.745 -0.974 7.531 517 HA ASP 66 HA ASP 66 -6.955 -1.346 10.293 518 HB2 ASP 66 HB2 ASP 66 -4.999 -2.502 9.351 519 HB3 ASP 66 HB1 ASP 66 -6.500 -3.126 8.677 520 H ALA 67 HN ALA 67 -6.160 0.724 7.585 521 HA ALA 67 HA ALA 67 -3.913 1.918 8.973 522 HB1 ALA 67 HB1 ALA 67 -5.186 2.673 6.344 523 HB2 ALA 67 HB2 ALA 67 -3.806 1.595 6.549 524 HB3 ALA 67 HB3 ALA 67 -3.666 3.300 6.981 525 H VAL 68 HN VAL 68 -6.621 2.083 10.103 526 HA VAL 68 HA VAL 68 -7.612 4.725 9.824 527 HB VAL 68 HB VAL 68 -8.950 2.800 10.688 528 HG11 VAL 68 HG11 VAL 68 -8.780 2.245 13.092 529 HG12 VAL 68 HG12 VAL 68 -7.300 3.200 13.178 530 HG13 VAL 68 HG13 VAL 68 -7.362 1.758 12.166 531 HG21 VAL 68 HG21 VAL 68 -10.188 4.091 12.351 532 HG22 VAL 68 HG22 VAL 68 -9.720 5.090 10.976 533 HG23 VAL 68 HG23 VAL 68 -8.834 5.208 12.494 534 H ALA 69 HN ALA 69 -5.085 3.294 11.682 535 HA ALA 69 HA ALA 69 -4.744 5.750 13.248 536 HB1 ALA 69 HB1 ALA 69 -3.269 4.432 14.685 537 HB2 ALA 69 HB2 ALA 69 -3.496 3.030 13.640 538 HB3 ALA 69 HB3 ALA 69 -4.859 3.683 14.550 539 H ILE 70 HN ILE 70 -3.471 7.169 12.263 540 HA ILE 70 HA ILE 70 -1.677 6.508 10.179 541 HB ILE 70 HB ILE 70 -2.765 8.731 10.418 542 HG12 ILE 70 HG12 ILE 70 -0.767 10.087 9.798 543 HG13 ILE 70 HG11 ILE 70 0.260 8.751 10.310 544 HG21 ILE 70 HG21 ILE 70 -0.788 9.135 12.658 545 HG22 ILE 70 HG22 ILE 70 -2.540 9.025 12.819 546 HG23 ILE 70 HG23 ILE 70 -1.817 10.384 11.959 547 HD11 ILE 70 HD11 ILE 70 -0.698 7.336 8.586 548 HD12 ILE 70 HD12 ILE 70 -0.027 8.811 7.891 549 HD13 ILE 70 HD13 ILE 70 -1.771 8.645 8.092 550 H THR 71 HN THR 71 -1.358 6.605 13.607 551 HA THR 71 HA THR 71 1.479 6.908 13.716 552 HB THR 71 HB THR 71 1.156 6.020 16.085 553 HG1 THR 71 HG1 THR 71 -0.777 5.356 16.645 554 HG21 THR 71 HG21 THR 71 1.303 8.398 15.613 555 HG22 THR 71 HG22 THR 71 0.074 8.105 16.845 556 HG23 THR 71 HG23 THR 71 -0.406 8.441 15.181 557 H SER 72 HN SER 72 -0.558 4.319 12.893 558 HA SER 72 HA SER 72 1.307 2.248 13.677 559 HB2 SER 72 HB2 SER 72 -1.215 2.092 12.004 560 HB3 SER 72 HB1 SER 72 -0.297 0.712 12.610 561 HG SER 72 HG SER 72 -0.714 2.072 14.733 562 H ILE 73 HN ILE 73 1.120 4.458 11.201 563 HA ILE 73 HA ILE 73 2.418 2.723 9.238 564 HB ILE 73 HB ILE 73 1.739 5.664 9.007 565 HG12 ILE 73 HG12 ILE 73 -0.298 4.325 9.288 566 HG13 ILE 73 HG11 ILE 73 -0.182 4.948 7.647 567 HG21 ILE 73 HG21 ILE 73 2.022 5.288 6.592 568 HG22 ILE 73 HG22 ILE 73 2.527 3.630 6.923 569 HG23 ILE 73 HG23 ILE 73 3.505 4.982 7.495 570 HD11 ILE 73 HD11 ILE 73 0.626 2.759 6.893 571 HD12 ILE 73 HD12 ILE 73 -0.971 2.668 7.636 572 HD13 ILE 73 HD13 ILE 73 0.451 2.144 8.537 573 H VAL 74 HN VAL 74 4.380 2.327 10.260 574 HA VAL 74 HA VAL 74 6.079 4.683 10.764 575 HB VAL 74 HB VAL 74 6.344 1.940 12.008 576 HG11 VAL 74 HG11 VAL 74 7.775 4.531 12.591 577 HG12 VAL 74 HG12 VAL 74 8.471 3.105 11.821 578 HG13 VAL 74 HG13 VAL 74 7.952 3.034 13.505 579 HG21 VAL 74 HG21 VAL 74 4.335 3.064 12.803 580 HG22 VAL 74 HG22 VAL 74 5.282 4.500 13.196 581 HG23 VAL 74 HG23 VAL 74 5.557 2.995 14.071 582 H THR 75 HN THR 75 6.334 1.236 9.872 583 HA THR 75 HA THR 75 8.776 1.891 8.399 584 HB THR 75 HB THR 75 9.127 -0.551 8.237 585 HG1 THR 75 HG1 THR 75 6.665 -0.610 9.681 586 HG21 THR 75 HG21 THR 75 9.626 -0.938 10.604 587 HG22 THR 75 HG22 THR 75 8.616 0.439 11.045 588 HG23 THR 75 HG23 THR 75 10.091 0.690 10.110 589 H VAL 76 HN VAL 76 9.083 0.769 6.271 590 HA VAL 76 HA VAL 76 7.123 1.560 4.455 591 HB VAL 76 HB VAL 76 9.237 -0.568 4.045 592 HG11 VAL 76 HG11 VAL 76 7.690 1.061 2.028 593 HG12 VAL 76 HG12 VAL 76 7.499 -0.664 2.334 594 HG13 VAL 76 HG13 VAL 76 9.008 -0.050 1.660 595 HG21 VAL 76 HG21 VAL 76 9.295 2.407 3.550 596 HG22 VAL 76 HG22 VAL 76 10.532 1.271 3.014 597 HG23 VAL 76 HG23 VAL 76 10.246 1.514 4.735 598 H ALA 77 HN ALA 77 7.761 -1.592 5.899 599 HA ALA 77 HA ALA 77 5.935 -3.142 4.497 600 HB1 ALA 77 HB1 ALA 77 6.034 -4.688 6.375 601 HB2 ALA 77 HB2 ALA 77 6.758 -3.434 7.382 602 HB3 ALA 77 HB3 ALA 77 7.637 -4.063 5.990 603 H ASP 78 HN ASP 78 5.387 -0.902 7.143 604 HA ASP 78 HA ASP 78 2.827 -1.878 7.880 605 HB2 ASP 78 HB2 ASP 78 4.108 0.826 8.284 606 HB3 ASP 78 HB1 ASP 78 2.535 0.389 8.942 607 H LEU 79 HN LEU 79 3.865 0.721 5.702 608 HA LEU 79 HA LEU 79 1.189 1.476 5.023 609 HB2 LEU 79 HB2 LEU 79 3.147 3.005 4.856 610 HB3 LEU 79 HB1 LEU 79 3.752 2.036 3.528 611 HG LEU 79 HG LEU 79 1.710 2.602 2.230 612 HD11 LEU 79 HD11 LEU 79 1.161 4.456 4.545 613 HD12 LEU 79 HD12 LEU 79 0.197 3.054 4.075 614 HD13 LEU 79 HD13 LEU 79 0.302 4.452 3.005 615 HD21 LEU 79 HD21 LEU 79 2.354 4.924 1.758 616 HD22 LEU 79 HD22 LEU 79 3.758 3.866 1.899 617 HD23 LEU 79 HD23 LEU 79 3.331 4.944 3.228 618 H ALA 80 HN ALA 80 3.698 -0.504 3.523 619 HA ALA 80 HA ALA 80 2.374 -1.070 1.115 620 HB1 ALA 80 HB1 ALA 80 3.911 -2.972 0.935 621 HB2 ALA 80 HB2 ALA 80 4.365 -2.760 2.626 622 HB3 ALA 80 HB3 ALA 80 4.747 -1.506 1.446 623 H ARG 81 HN ARG 81 2.321 -2.672 4.250 624 HA ARG 81 HA ARG 81 0.911 -4.979 3.661 625 HB2 ARG 81 HB2 ARG 81 1.974 -4.479 5.824 626 HB3 ARG 81 HB1 ARG 81 0.746 -3.266 6.146 627 HG2 ARG 81 HG2 ARG 81 -0.967 -5.037 6.121 628 HG3 ARG 81 HG1 ARG 81 0.314 -6.233 5.898 629 HD2 ARG 81 HD2 ARG 81 -0.268 -6.119 8.239 630 HD3 ARG 81 HD1 ARG 81 1.350 -5.462 8.007 631 HE ARG 81 HE ARG 81 -1.063 -3.800 8.375 632 HH11 ARG 81 HH11 ARG 81 2.366 -4.366 8.847 633 HH12 ARG 81 HH12 ARG 81 2.594 -2.949 9.827 634 HH21 ARG 81 HH21 ARG 81 -0.754 -1.937 9.667 635 HH22 ARG 81 HH22 ARG 81 0.819 -1.593 10.313 636 H ALA 82 HN ALA 82 -0.316 -1.750 4.406 637 HA ALA 82 HA ALA 82 -3.028 -2.415 4.652 638 HB1 ALA 82 HB1 ALA 82 -1.828 0.206 3.766 639 HB2 ALA 82 HB2 ALA 82 -2.082 -0.300 5.436 640 HB3 ALA 82 HB3 ALA 82 -3.466 -0.038 4.374 641 H TYR 83 HN TYR 83 -1.142 -1.397 1.826 642 HA TYR 83 HA TYR 83 -3.511 -1.468 0.153 643 HB2 TYR 83 HB2 TYR 83 -0.629 -0.829 -0.484 644 HB3 TYR 83 HB1 TYR 83 -1.935 -0.776 -1.662 645 HD1 TYR 83 HD1 TYR 83 -0.492 0.836 1.304 646 HD2 TYR 83 HD2 TYR 83 -3.557 1.023 -1.641 647 HE1 TYR 83 HE1 TYR 83 -0.971 3.154 1.960 648 HE2 TYR 83 HE2 TYR 83 -4.044 3.347 -0.993 649 HH TYR 83 HH TYR 83 -3.740 4.791 1.107 650 H ALA 84 HN ALA 84 -1.084 -3.635 1.121 651 HA ALA 84 HA ALA 84 -1.051 -5.285 -1.206 652 HB1 ALA 84 HB1 ALA 84 0.758 -5.341 0.448 653 HB2 ALA 84 HB2 ALA 84 0.048 -6.938 0.207 654 HB3 ALA 84 HB3 ALA 84 -0.360 -6.000 1.644 655 H GLN 85 HN GLN 85 -3.118 -4.973 1.561 656 HA GLN 85 HA GLN 85 -4.459 -7.503 1.078 657 HB2 GLN 85 HB2 GLN 85 -5.090 -5.295 3.043 658 HB3 GLN 85 HB1 GLN 85 -5.870 -6.870 2.994 659 HG2 GLN 85 HG2 GLN 85 -3.662 -7.915 3.426 660 HG3 GLN 85 HG1 GLN 85 -2.983 -6.299 3.617 661 HE21 GLN 85 HE21 GLN 85 -5.045 -8.723 4.986 662 HE22 GLN 85 HE22 GLN 85 -5.186 -8.011 6.555 663 H GLN 86 HN GLN 86 -4.498 -5.497 -1.013 664 HA GLN 86 HA GLN 86 -7.173 -4.394 -1.064 665 HB2 GLN 86 HB2 GLN 86 -5.249 -3.199 -2.074 666 HB3 GLN 86 HB1 GLN 86 -5.067 -4.506 -3.234 667 HG2 GLN 86 HG2 GLN 86 -7.366 -4.016 -4.047 668 HG3 GLN 86 HG1 GLN 86 -7.388 -2.610 -2.983 669 HE21 GLN 86 HE21 GLN 86 -6.068 -4.002 -5.868 670 HE22 GLN 86 HE22 GLN 86 -5.353 -2.554 -6.485 671 H GLY 87 HN GLY 87 -8.907 -5.195 -2.173 672 HA2 GLY 87 HA2 GLY 87 -9.720 -6.450 -4.104 673 HA3 GLY 87 HA1 GLY 87 -8.450 -7.621 -3.790 674 H VAL 88 HN VAL 88 -9.330 -7.002 -0.800 675 HA VAL 88 HA VAL 88 -11.467 -9.021 -0.839 676 HB VAL 88 HB VAL 88 -10.758 -9.606 1.482 677 HG11 VAL 88 HG11 VAL 88 -8.653 -9.918 -0.654 678 HG12 VAL 88 HG12 VAL 88 -10.064 -10.949 -0.427 679 HG13 VAL 88 HG13 VAL 88 -8.800 -10.903 0.801 680 HG21 VAL 88 HG21 VAL 88 -9.604 -7.539 2.068 681 HG22 VAL 88 HG22 VAL 88 -8.380 -7.861 0.841 682 HG23 VAL 88 HG23 VAL 88 -8.527 -8.926 2.238 683 HA PRO 89 HA PRO 89 -14.099 -5.842 0.881 684 HB2 PRO 89 HB2 PRO 89 -15.829 -8.123 1.590 685 HB3 PRO 89 HB1 PRO 89 -16.179 -6.724 0.574 686 HG2 PRO 89 HG2 PRO 89 -15.831 -9.172 -0.466 687 HG3 PRO 89 HG1 PRO 89 -15.303 -7.709 -1.317 688 HD2 PRO 89 HD2 PRO 89 -13.686 -9.696 0.227 689 HD3 PRO 89 HD1 PRO 89 -13.297 -8.851 -1.285 690 H GLY 90 HN GLY 90 -13.464 -5.025 2.771 691 HA2 GLY 90 HA2 GLY 90 -13.307 -6.796 5.116 692 HA3 GLY 90 HA1 GLY 90 -12.527 -5.226 4.970 693 HA PRO 91 HA PRO 91 -16.031 -3.562 7.171 694 HB2 PRO 91 HB2 PRO 91 -15.704 -0.946 6.569 695 HB3 PRO 91 HB1 PRO 91 -14.641 -1.792 7.701 696 HG2 PRO 91 HG2 PRO 91 -14.203 -1.154 4.806 697 HG3 PRO 91 HG1 PRO 91 -13.083 -0.980 6.169 698 HD2 PRO 91 HD2 PRO 91 -12.979 -3.080 4.467 699 HD3 PRO 91 HD1 PRO 91 -12.552 -3.225 6.185 700 H SER 92 HN SER 92 -18.026 -2.360 6.738 701 HA SER 92 HA SER 92 -19.044 -2.920 4.102 702 HB2 SER 92 HB2 SER 92 -20.415 -3.264 6.156 703 HB3 SER 92 HB1 SER 92 -20.398 -1.523 6.427 704 HG SER 92 HG SER 92 -21.959 -1.335 5.041 705 HA PRO 93 HA PRO 93 -17.770 1.056 2.499 706 HB2 PRO 93 HB2 PRO 93 -19.311 0.867 0.206 707 HB3 PRO 93 HB1 PRO 93 -17.677 0.221 0.388 708 HG2 PRO 93 HG2 PRO 93 -20.305 -1.178 0.594 709 HG3 PRO 93 HG1 PRO 93 -18.779 -1.747 -0.106 710 HD2 PRO 93 HD2 PRO 93 -19.621 -2.565 2.309 711 HD3 PRO 93 HD1 PRO 93 -17.899 -2.318 1.954 712 H ASP 94 HN ASP 94 -21.117 -0.018 2.729 713 HA ASP 94 HA ASP 94 -21.874 2.783 3.220 714 HB2 ASP 94 HB2 ASP 94 -22.942 1.913 1.183 715 HB3 ASP 94 HB1 ASP 94 -23.617 0.573 2.107 716 HA PRO 95 HA PRO 95 -22.668 1.117 7.273 717 HB2 PRO 95 HB2 PRO 95 -23.296 3.441 8.474 718 HB3 PRO 95 HB1 PRO 95 -21.636 3.035 8.027 719 HG2 PRO 95 HG2 PRO 95 -23.603 4.791 6.611 720 HG3 PRO 95 HG1 PRO 95 -21.875 5.057 6.904 721 HD2 PRO 95 HD2 PRO 95 -22.875 4.146 4.533 722 HD3 PRO 95 HD1 PRO 95 -21.247 3.758 5.120 723 H LEU 96 HN LEU 96 -24.929 2.655 5.204 724 HA LEU 96 HA LEU 96 -27.120 2.564 7.078 725 HB2 LEU 96 HB2 LEU 96 -27.172 3.043 4.100 726 HB3 LEU 96 HB1 LEU 96 -28.505 3.302 5.201 727 HG LEU 96 HG LEU 96 -25.913 4.856 5.210 728 HD11 LEU 96 HD11 LEU 96 -27.240 5.333 3.241 729 HD12 LEU 96 HD12 LEU 96 -27.291 6.694 4.357 730 HD13 LEU 96 HD13 LEU 96 -28.668 5.600 4.240 731 HD21 LEU 96 HD21 LEU 96 -26.755 4.903 7.421 732 HD22 LEU 96 HD22 LEU 96 -28.419 5.084 6.864 733 HD23 LEU 96 HD23 LEU 96 -27.275 6.410 6.672 734 H ASP 97 HN ASP 97 -26.120 0.713 4.197 735 HA ASP 97 HA ASP 97 -28.306 -1.120 4.481 736 HB2 ASP 97 HB2 ASP 97 -27.447 -2.303 2.669 737 HB3 ASP 97 HB1 ASP 97 -26.887 -0.668 2.352 738 H ALA 98 HN ALA 98 -25.073 -0.891 5.740 739 HA ALA 98 HA ALA 98 -24.861 -3.471 6.857 740 HB1 ALA 98 HB1 ALA 98 -22.963 -1.918 6.697 741 HB2 ALA 98 HB2 ALA 98 -23.190 -2.503 8.345 742 HB3 ALA 98 HB3 ALA 98 -23.719 -0.879 7.904 743 H GLN 99 HN GLN 99 -26.444 -0.536 7.887 744 HA GLN 99 HA GLN 99 -27.136 -1.396 10.496 745 HB2 GLN 99 HB2 GLN 99 -27.146 0.972 9.797 746 HB3 GLN 99 HB1 GLN 99 -28.501 0.643 8.726 747 HG2 GLN 99 HG2 GLN 99 -29.199 1.705 10.814 748 HG3 GLN 99 HG1 GLN 99 -29.911 0.105 10.608 749 HE21 GLN 99 HE21 GLN 99 -30.281 -0.084 12.819 750 HE22 GLN 99 HE22 GLN 99 -29.000 -0.387 13.944 751 H LEU 100 HN LEU 100 -28.664 -1.687 7.340 752 HA LEU 100 HA LEU 100 -31.149 -2.691 8.232 753 HB2 LEU 100 HB2 LEU 100 -29.714 -3.149 5.614 754 HB3 LEU 100 HB1 LEU 100 -31.392 -3.548 5.921 755 HG LEU 100 HG LEU 100 -30.231 -0.761 5.968 756 HD11 LEU 100 HD11 LEU 100 -30.294 -1.709 3.719 757 HD12 LEU 100 HD12 LEU 100 -31.489 -0.425 3.908 758 HD13 LEU 100 HD13 LEU 100 -31.998 -2.114 3.934 759 HD21 LEU 100 HD21 LEU 100 -32.593 -0.058 6.059 760 HD22 LEU 100 HD22 LEU 100 -32.100 -0.957 7.493 761 HD23 LEU 100 HD23 LEU 100 -33.069 -1.746 6.249 762 H ARG 101 HN ARG 101 -28.046 -4.175 7.661 763 HA ARG 101 HA ARG 101 -28.943 -6.874 7.721 764 HB2 ARG 101 HB2 ARG 101 -26.791 -6.193 6.721 765 HB3 ARG 101 HB1 ARG 101 -26.203 -5.735 8.313 766 HG2 ARG 101 HG2 ARG 101 -25.306 -7.881 7.685 767 HG3 ARG 101 HG1 ARG 101 -26.414 -8.069 9.044 768 HD2 ARG 101 HD2 ARG 101 -26.760 -9.833 7.408 769 HD3 ARG 101 HD1 ARG 101 -28.176 -8.787 7.504 770 HE ARG 101 HE ARG 101 -26.207 -8.245 5.414 771 HH11 ARG 101 HH11 ARG 101 -29.353 -9.493 6.308 772 HH12 ARG 101 HH12 ARG 101 -29.960 -9.478 4.683 773 HH21 ARG 101 HH21 ARG 101 -26.998 -8.242 3.276 774 HH22 ARG 101 HH22 ARG 101 -28.619 -8.770 2.957 775 H ASP 102 HN ASP 102 -27.941 -4.553 10.142 776 HA ASP 102 HA ASP 102 -27.896 -6.516 12.268 777 HB2 ASP 102 HB2 ASP 102 -26.345 -4.611 12.331 778 HB3 ASP 102 HB1 ASP 102 -27.708 -3.497 12.374 779 H LEU 103 HN LEU 103 -29.959 -3.901 11.163 780 HA LEU 103 HA LEU 103 -31.855 -4.233 13.299 781 HB2 LEU 103 HB2 LEU 103 -31.427 -2.042 12.276 782 HB3 LEU 103 HB1 LEU 103 -32.010 -2.642 10.737 783 HG LEU 103 HG LEU 103 -34.256 -2.956 11.750 784 HD11 LEU 103 HD11 LEU 103 -33.637 -3.225 14.070 785 HD12 LEU 103 HD12 LEU 103 -34.724 -1.847 13.900 786 HD13 LEU 103 HD13 LEU 103 -32.994 -1.584 14.119 787 HD21 LEU 103 HD21 LEU 103 -33.730 -0.949 10.486 788 HD22 LEU 103 HD22 LEU 103 -33.097 -0.181 11.941 789 HD23 LEU 103 HD23 LEU 103 -34.813 -0.571 11.827 790 H ARG 104 HN ARG 104 -32.474 -6.400 13.110 791 HA ARG 104 HA ARG 104 -33.921 -7.190 10.698 792 HB2 ARG 104 HB2 ARG 104 -33.122 -8.748 13.161 793 HB3 ARG 104 HB1 ARG 104 -34.031 -9.423 11.816 794 HG2 ARG 104 HG2 ARG 104 -32.153 -8.953 10.317 795 HG3 ARG 104 HG1 ARG 104 -31.243 -8.296 11.679 796 HD2 ARG 104 HD2 ARG 104 -30.643 -10.637 11.131 797 HD3 ARG 104 HD1 ARG 104 -31.239 -10.433 12.777 798 HE ARG 104 HE ARG 104 -33.317 -11.427 12.088 799 HH11 ARG 104 HH11 ARG 104 -30.707 -11.690 9.772 800 HH12 ARG 104 HH12 ARG 104 -31.393 -13.061 8.960 801 HH21 ARG 104 HH21 ARG 104 -34.226 -13.229 11.023 802 HH22 ARG 104 HH22 ARG 104 -33.404 -13.928 9.666 803 H GLN 105 HN GLN 105 -34.698 -5.346 13.115 804 HA GLN 105 HA GLN 105 -37.368 -6.524 13.479 805 HB2 GLN 105 HB2 GLN 105 -35.771 -4.800 15.379 806 HB3 GLN 105 HB1 GLN 105 -37.466 -5.206 15.611 807 HG2 GLN 105 HG2 GLN 105 -36.874 -7.581 15.696 808 HG3 GLN 105 HG1 GLN 105 -35.175 -7.156 15.498 809 HE21 GLN 105 HE21 GLN 105 -35.415 -4.777 17.173 810 HE22 GLN 105 HE22 GLN 105 -35.512 -5.350 18.801 811 H LEU 106 HN LEU 106 -39.005 -4.733 14.048 812 HA LEU 106 HA LEU 106 -38.678 -2.629 12.042 813 HB2 LEU 106 HB2 LEU 106 -41.139 -3.690 13.433 814 HB3 LEU 106 HB1 LEU 106 -41.153 -2.304 12.364 815 HG LEU 106 HG LEU 106 -40.250 -3.860 10.558 816 HD11 LEU 106 HD11 LEU 106 -41.143 -5.942 12.543 817 HD12 LEU 106 HD12 LEU 106 -39.499 -5.681 11.965 818 HD13 LEU 106 HD13 LEU 106 -40.745 -6.245 10.852 819 HD21 LEU 106 HD21 LEU 106 -42.548 -3.054 10.608 820 HD22 LEU 106 HD22 LEU 106 -42.998 -4.381 11.679 821 HD23 LEU 106 HD23 LEU 106 -42.468 -4.718 10.032 Start of MODEL 2 1 H GLY -4 HT1 GLY -4 4.600 -29.570 -4.819 2 HA2 GLY -4 HA1 GLY -4 5.287 -27.348 -5.466 3 HA3 GLY -4 HA2 GLY -4 4.043 -27.993 -6.528 4 H ILE -3 HN ILE -3 4.633 -25.263 -6.245 5 HA ILE -3 HA ILE -3 3.575 -23.270 -6.135 6 HB ILE -3 HB ILE -3 1.087 -24.856 -5.480 7 HG12 ILE -3 HG12 ILE -3 2.100 -23.770 -8.120 8 HG13 ILE -3 HG11 ILE -3 2.075 -25.467 -7.652 9 HG21 ILE -3 HG21 ILE -3 0.895 -22.520 -4.816 10 HG22 ILE -3 HG22 ILE -3 -0.123 -22.854 -6.217 11 HG23 ILE -3 HG23 ILE -3 1.410 -22.006 -6.423 12 HD11 ILE -3 HD11 ILE -3 -0.363 -25.394 -7.543 13 HD12 ILE -3 HD12 ILE -3 0.237 -24.946 -9.139 14 HD13 ILE -3 HD13 ILE -3 -0.331 -23.700 -8.028 15 H ASP -2 HN ASP -2 4.732 -22.527 -4.415 16 HA ASP -2 HA ASP -2 3.720 -22.915 -1.718 17 HB2 ASP -2 HB2 ASP -2 6.130 -21.456 -2.811 18 HB3 ASP -2 HB1 ASP -2 5.691 -21.464 -1.112 19 HA PRO -1 HA PRO -1 1.191 -19.212 -2.021 20 HB2 PRO -1 HB2 PRO -1 1.328 -19.452 0.936 21 HB3 PRO -1 HB1 PRO -1 -0.083 -19.314 -0.116 22 HG2 PRO -1 HG2 PRO -1 0.559 -21.638 1.033 23 HG3 PRO -1 HG1 PRO -1 -0.100 -21.575 -0.611 24 HD2 PRO -1 HD2 PRO -1 2.714 -22.012 0.290 25 HD3 PRO -1 HD1 PRO -1 1.836 -22.738 -1.072 26 H PHE 0 HN PHE 0 4.019 -19.654 0.016 27 HA PHE 0 HA PHE 0 4.444 -16.957 0.704 28 HB2 PHE 0 HB2 PHE 0 5.594 -18.738 1.891 29 HB3 PHE 0 HB1 PHE 0 6.426 -19.224 0.417 30 HD1 PHE 0 HD1 PHE 0 5.981 -16.238 2.607 31 HD2 PHE 0 HD2 PHE 0 8.560 -18.458 0.054 32 HE1 PHE 0 HE1 PHE 0 7.827 -14.707 3.145 33 HE2 PHE 0 HE2 PHE 0 10.412 -16.931 0.589 34 HZ PHE 0 HZ PHE 0 10.045 -15.052 2.136 35 H THR 1 HN THR 1 5.328 -18.836 -2.146 36 HA THR 1 HA THR 1 7.097 -17.031 -3.318 37 HB THR 1 HB THR 1 5.128 -18.845 -4.729 38 HG1 THR 1 HG1 THR 1 7.636 -19.303 -3.490 39 HG21 THR 1 HG21 THR 1 6.801 -18.844 -6.521 40 HG22 THR 1 HG22 THR 1 7.776 -17.698 -5.601 41 HG23 THR 1 HG23 THR 1 6.189 -17.221 -6.204 42 H LEU 2 HN LEU 2 3.570 -17.366 -3.670 43 HA LEU 2 HA LEU 2 3.186 -15.136 -5.343 44 HB2 LEU 2 HB2 LEU 2 1.475 -16.849 -5.035 45 HB3 LEU 2 HB1 LEU 2 1.309 -16.409 -3.346 46 HG LEU 2 HG LEU 2 0.519 -14.148 -4.079 47 HD11 LEU 2 HD11 LEU 2 0.456 -15.446 -6.798 48 HD12 LEU 2 HD12 LEU 2 1.511 -14.123 -6.301 49 HD13 LEU 2 HD13 LEU 2 -0.232 -13.876 -6.385 50 HD21 LEU 2 HD21 LEU 2 -1.087 -16.506 -5.050 51 HD22 LEU 2 HD22 LEU 2 -1.720 -14.901 -4.693 52 HD23 LEU 2 HD23 LEU 2 -1.045 -15.890 -3.399 53 H ASN 3 HN ASN 3 3.193 -15.503 -1.828 54 HA ASN 3 HA ASN 3 2.429 -12.918 -1.109 55 HB2 ASN 3 HB2 ASN 3 2.590 -14.719 0.529 56 HB3 ASN 3 HB1 ASN 3 4.333 -14.803 0.301 57 HD21 ASN 3 HD21 ASN 3 1.702 -12.927 1.597 58 HD22 ASN 3 HD22 ASN 3 2.662 -11.933 2.637 59 H HIS 4 HN HIS 4 5.689 -14.245 -1.600 60 HA HIS 4 HA HIS 4 7.091 -11.860 -1.152 61 HB2 HIS 4 HB2 HIS 4 8.159 -14.089 -1.225 62 HB3 HIS 4 HB1 HIS 4 7.862 -14.165 -2.958 63 HD1 HIS 4 HD1 HIS 4 9.917 -13.687 -4.227 64 HD2 HIS 4 HD2 HIS 4 9.744 -11.485 -0.705 65 HE1 HIS 4 HE1 HIS 4 12.029 -12.324 -4.175 66 HE2 HIS 4 HE2 HIS 4 11.834 -10.898 -2.108 67 H GLN 5 HN GLN 5 5.723 -13.228 -4.122 68 HA GLN 5 HA GLN 5 6.761 -11.310 -5.897 69 HB2 GLN 5 HB2 GLN 5 4.303 -13.049 -6.057 70 HB3 GLN 5 HB1 GLN 5 4.832 -12.015 -7.376 71 HG2 GLN 5 HG2 GLN 5 6.954 -13.229 -7.468 72 HG3 GLN 5 HG1 GLN 5 6.408 -14.270 -6.154 73 HE21 GLN 5 HE21 GLN 5 5.988 -13.414 -9.500 74 HE22 GLN 5 HE22 GLN 5 5.091 -14.821 -9.955 75 H VAL 6 HN VAL 6 3.542 -11.467 -4.343 76 HA VAL 6 HA VAL 6 2.672 -9.034 -5.517 77 HB VAL 6 HB VAL 6 1.123 -10.802 -4.701 78 HG11 VAL 6 HG11 VAL 6 0.528 -10.886 -2.333 79 HG12 VAL 6 HG12 VAL 6 1.823 -9.746 -1.966 80 HG13 VAL 6 HG13 VAL 6 2.209 -11.349 -2.595 81 HG21 VAL 6 HG21 VAL 6 -0.566 -9.267 -3.802 82 HG22 VAL 6 HG22 VAL 6 0.288 -8.582 -5.186 83 HG23 VAL 6 HG23 VAL 6 0.687 -8.051 -3.552 84 H MET 7 HN MET 7 4.379 -9.791 -2.562 85 HA MET 7 HA MET 7 3.911 -7.232 -1.354 86 HB2 MET 7 HB2 MET 7 4.429 -9.407 -0.127 87 HB3 MET 7 HB1 MET 7 6.103 -9.158 -0.609 88 HG2 MET 7 HG2 MET 7 5.776 -8.334 1.621 89 HG3 MET 7 HG1 MET 7 6.078 -6.979 0.532 90 HE1 MET 7 HE1 MET 7 5.054 -5.048 1.997 91 HE2 MET 7 HE2 MET 7 5.069 -6.285 3.251 92 HE3 MET 7 HE3 MET 7 3.631 -5.295 3.006 93 H ASP 8 HN ASP 8 6.518 -8.713 -3.228 94 HA ASP 8 HA ASP 8 8.272 -6.472 -2.971 95 HB2 ASP 8 HB2 ASP 8 9.055 -8.765 -3.562 96 HB3 ASP 8 HB1 ASP 8 8.259 -8.600 -5.123 97 H GLN 9 HN GLN 9 5.690 -7.382 -5.128 98 HA GLN 9 HA GLN 9 6.117 -5.489 -7.164 99 HB2 GLN 9 HB2 GLN 9 4.546 -7.364 -7.387 100 HB3 GLN 9 HB1 GLN 9 3.512 -6.653 -6.157 101 HG2 GLN 9 HG2 GLN 9 2.618 -6.237 -8.363 102 HG3 GLN 9 HG1 GLN 9 3.111 -4.726 -7.603 103 HE21 GLN 9 HE21 GLN 9 3.308 -3.664 -9.563 104 HE22 GLN 9 HE22 GLN 9 4.594 -3.990 -10.670 105 H VAL 10 HN VAL 10 4.049 -5.313 -4.250 106 HA VAL 10 HA VAL 10 3.329 -2.603 -4.681 107 HB VAL 10 HB VAL 10 1.954 -4.037 -3.253 108 HG11 VAL 10 HG11 VAL 10 2.658 -4.634 -0.989 109 HG12 VAL 10 HG12 VAL 10 4.262 -3.980 -1.321 110 HG13 VAL 10 HG13 VAL 10 3.680 -5.383 -2.217 111 HG21 VAL 10 HG21 VAL 10 1.773 -1.656 -2.913 112 HG22 VAL 10 HG22 VAL 10 3.129 -1.682 -1.787 113 HG23 VAL 10 HG23 VAL 10 1.618 -2.487 -1.366 114 H PHE 11 HN PHE 11 6.017 -4.169 -3.070 115 HA PHE 11 HA PHE 11 7.011 -1.903 -1.715 116 HB2 PHE 11 HB2 PHE 11 7.763 -4.185 -1.189 117 HB3 PHE 11 HB1 PHE 11 8.536 -4.296 -2.767 118 HD1 PHE 11 HD1 PHE 11 8.525 -2.096 0.248 119 HD2 PHE 11 HD2 PHE 11 10.773 -3.841 -2.915 120 HE1 PHE 11 HE1 PHE 11 10.587 -1.145 1.192 121 HE2 PHE 11 HE2 PHE 11 12.839 -2.892 -1.976 122 HZ PHE 11 HZ PHE 11 12.722 -1.479 0.065 123 H ASP 12 HN ASP 12 7.736 -3.252 -4.932 124 HA ASP 12 HA ASP 12 9.669 -1.379 -5.703 125 HB2 ASP 12 HB2 ASP 12 9.184 -3.437 -6.979 126 HB3 ASP 12 HB1 ASP 12 7.628 -2.769 -7.457 127 H GLN 13 HN GLN 13 6.162 -1.282 -5.843 128 HA GLN 13 HA GLN 13 5.946 1.124 -7.305 129 HB2 GLN 13 HB2 GLN 13 4.096 -0.465 -7.117 130 HB3 GLN 13 HB1 GLN 13 3.989 -0.159 -5.390 131 HG2 GLN 13 HG2 GLN 13 2.247 1.003 -6.636 132 HG3 GLN 13 HG1 GLN 13 3.316 2.128 -5.805 133 HE21 GLN 13 HE21 GLN 13 4.207 0.481 -8.760 134 HE22 GLN 13 HE22 GLN 13 4.189 1.885 -9.767 135 H VAL 14 HN VAL 14 5.769 0.479 -3.780 136 HA VAL 14 HA VAL 14 5.431 3.209 -3.097 137 HB VAL 14 HB VAL 14 5.919 2.625 -0.809 138 HG11 VAL 14 HG11 VAL 14 4.363 0.425 -2.150 139 HG12 VAL 14 HG12 VAL 14 3.733 1.995 -1.655 140 HG13 VAL 14 HG13 VAL 14 4.290 0.845 -0.439 141 HG21 VAL 14 HG21 VAL 14 6.621 0.331 -0.178 142 HG22 VAL 14 HG22 VAL 14 7.863 1.244 -1.036 143 HG23 VAL 14 HG23 VAL 14 6.938 0.007 -1.885 144 H GLU 15 HN GLU 15 8.274 1.180 -3.518 145 HA GLU 15 HA GLU 15 10.245 2.965 -2.642 146 HB2 GLU 15 HB2 GLU 15 10.700 0.614 -3.174 147 HB3 GLU 15 HB1 GLU 15 10.343 0.913 -4.868 148 HG2 GLU 15 HG2 GLU 15 12.267 2.496 -4.921 149 HG3 GLU 15 HG1 GLU 15 12.661 1.983 -3.280 150 H HIS 16 HN HIS 16 8.717 2.540 -5.801 151 HA HIS 16 HA HIS 16 10.191 4.528 -7.157 152 HB2 HIS 16 HB2 HIS 16 8.742 2.664 -8.155 153 HB3 HIS 16 HB1 HIS 16 7.366 3.713 -7.836 154 HD1 HIS 16 HD1 HIS 16 10.245 3.238 -10.130 155 HD2 HIS 16 HD2 HIS 16 7.224 6.022 -9.480 156 HE1 HIS 16 HE1 HIS 16 10.235 4.716 -12.165 157 HE2 HIS 16 HE2 HIS 16 8.355 6.349 -11.784 158 H GLN 17 HN GLN 17 7.245 4.612 -5.239 159 HA GLN 17 HA GLN 17 6.517 7.286 -5.835 160 HB2 GLN 17 HB2 GLN 17 5.944 5.642 -3.364 161 HB3 GLN 17 HB1 GLN 17 5.180 7.175 -3.750 162 HG2 GLN 17 HG2 GLN 17 4.923 4.586 -5.261 163 HG3 GLN 17 HG1 GLN 17 3.687 5.387 -4.294 164 HE21 GLN 17 HE21 GLN 17 5.331 5.283 -7.315 165 HE22 GLN 17 HE22 GLN 17 4.352 6.447 -8.135 166 H ILE 18 HN ILE 18 8.326 5.850 -3.131 167 HA ILE 18 HA ILE 18 8.882 8.187 -1.719 168 HB ILE 18 HB ILE 18 10.592 5.704 -1.959 169 HG12 ILE 18 HG12 ILE 18 8.572 6.495 0.149 170 HG13 ILE 18 HG11 ILE 18 8.272 5.332 -1.138 171 HG21 ILE 18 HG21 ILE 18 10.648 7.900 0.109 172 HG22 ILE 18 HG22 ILE 18 11.889 7.575 -1.102 173 HG23 ILE 18 HG23 ILE 18 11.577 6.402 0.178 174 HD11 ILE 18 HD11 ILE 18 10.316 5.063 1.053 175 HD12 ILE 18 HD12 ILE 18 10.034 3.898 -0.240 176 HD13 ILE 18 HD13 ILE 18 8.773 4.215 0.951 177 H ALA 19 HN ALA 19 10.702 6.624 -4.323 178 HA ALA 19 HA ALA 19 12.943 8.272 -4.350 179 HB1 ALA 19 HB1 ALA 19 11.628 6.923 -6.700 180 HB2 ALA 19 HB2 ALA 19 12.776 6.174 -5.592 181 HB3 ALA 19 HB3 ALA 19 13.291 7.505 -6.630 182 H GLN 20 HN GLN 20 9.768 8.772 -5.797 183 HA GLN 20 HA GLN 20 10.561 11.071 -7.308 184 HB2 GLN 20 HB2 GLN 20 7.809 10.140 -6.481 185 HB3 GLN 20 HB1 GLN 20 8.143 11.412 -7.651 186 HG2 GLN 20 HG2 GLN 20 9.289 9.786 -9.077 187 HG3 GLN 20 HG1 GLN 20 8.917 8.517 -7.911 188 HE21 GLN 20 HE21 GLN 20 6.787 7.843 -7.666 189 HE22 GLN 20 HE22 GLN 20 5.581 8.163 -8.864 190 H VAL 21 HN VAL 21 9.211 10.506 -4.125 191 HA VAL 21 HA VAL 21 8.671 13.242 -3.541 192 HB VAL 21 HB VAL 21 9.146 10.940 -1.632 193 HG11 VAL 21 HG11 VAL 21 7.881 13.641 -1.153 194 HG12 VAL 21 HG12 VAL 21 9.440 13.097 -0.531 195 HG13 VAL 21 HG13 VAL 21 7.953 12.318 0.011 196 HG21 VAL 21 HG21 VAL 21 7.279 10.502 -3.115 197 HG22 VAL 21 HG22 VAL 21 6.592 12.087 -2.756 198 HG23 VAL 21 HG23 VAL 21 6.688 10.861 -1.493 199 H LEU 22 HN LEU 22 11.421 11.087 -3.014 200 HA LEU 22 HA LEU 22 13.035 12.829 -1.523 201 HB2 LEU 22 HB2 LEU 22 13.897 10.771 -3.559 202 HB3 LEU 22 HB1 LEU 22 14.927 11.491 -2.337 203 HG LEU 22 HG LEU 22 12.535 9.734 -1.771 204 HD11 LEU 22 HD11 LEU 22 15.477 9.127 -1.551 205 HD12 LEU 22 HD12 LEU 22 14.404 8.532 -2.817 206 HD13 LEU 22 HD13 LEU 22 14.144 8.046 -1.142 207 HD21 LEU 22 HD21 LEU 22 14.636 10.880 0.069 208 HD22 LEU 22 HD22 LEU 22 13.383 9.727 0.528 209 HD23 LEU 22 HD23 LEU 22 12.938 11.351 0.005 210 H GLY 23 HN GLY 23 12.587 12.456 -5.002 211 HA2 GLY 23 HA2 GLY 23 14.494 14.377 -5.814 212 HA3 GLY 23 HA1 GLY 23 13.112 13.841 -6.758 213 H ALA 24 HN ALA 24 11.103 14.630 -4.906 214 HA ALA 24 HA ALA 24 10.797 17.362 -5.621 215 HB1 ALA 24 HB1 ALA 24 9.228 15.714 -3.638 216 HB2 ALA 24 HB2 ALA 24 8.885 15.862 -5.362 217 HB3 ALA 24 HB3 ALA 24 8.738 17.269 -4.310 218 H LYS 25 HN LYS 25 11.824 15.689 -2.710 219 HA LYS 25 HA LYS 25 11.981 18.025 -1.075 220 HB2 LYS 25 HB2 LYS 25 13.360 15.346 -0.807 221 HB3 LYS 25 HB1 LYS 25 13.350 16.599 0.424 222 HG2 LYS 25 HG2 LYS 25 10.967 16.394 0.687 223 HG3 LYS 25 HG1 LYS 25 10.884 15.252 -0.654 224 HD2 LYS 25 HD2 LYS 25 10.806 13.887 1.232 225 HD3 LYS 25 HD1 LYS 25 12.496 13.811 0.739 226 HE2 LYS 25 HE2 LYS 25 11.500 15.733 2.828 227 HE3 LYS 25 HE1 LYS 25 12.022 14.100 3.222 228 HZ1 LYS 25 HZ1 LYS 25 13.688 16.221 1.977 229 HZ2 LYS 25 HZ2 LYS 25 14.200 14.636 2.259 230 HZ3 LYS 25 HZ3 LYS 25 13.809 15.643 3.559 231 H GLY 26 HN GLY 26 13.906 16.694 -3.551 232 HA2 GLY 26 HA2 GLY 26 15.649 17.754 -4.664 233 HA3 GLY 26 HA1 GLY 26 15.748 18.917 -3.352 234 H GLY 27 HN GLY 27 15.794 15.464 -2.797 235 HA2 GLY 27 HA2 GLY 27 18.633 15.734 -2.026 236 HA3 GLY 27 HA1 GLY 27 17.470 14.829 -1.074 237 HA PRO 28 HA PRO 28 19.661 11.996 -4.122 238 HB2 PRO 28 HB2 PRO 28 20.719 10.612 -1.790 239 HB3 PRO 28 HB1 PRO 28 21.595 11.349 -3.132 240 HG2 PRO 28 HG2 PRO 28 21.646 12.346 -0.611 241 HG3 PRO 28 HG1 PRO 28 21.811 13.362 -2.053 242 HD2 PRO 28 HD2 PRO 28 19.408 12.892 -0.330 243 HD3 PRO 28 HD1 PRO 28 19.999 14.405 -1.049 244 H LEU 29 HN LEU 29 19.433 9.627 -4.269 245 HA LEU 29 HA LEU 29 16.862 8.790 -3.215 246 HB2 LEU 29 HB2 LEU 29 18.746 7.410 -5.128 247 HB3 LEU 29 HB1 LEU 29 17.127 6.875 -4.732 248 HG LEU 29 HG LEU 29 17.834 9.437 -6.163 249 HD11 LEU 29 HD11 LEU 29 16.780 8.367 -8.089 250 HD12 LEU 29 HD12 LEU 29 16.563 6.890 -7.151 251 HD13 LEU 29 HD13 LEU 29 18.187 7.462 -7.533 252 HD21 LEU 29 HD21 LEU 29 15.410 9.642 -6.513 253 HD22 LEU 29 HD22 LEU 29 15.839 9.716 -4.805 254 HD23 LEU 29 HD23 LEU 29 15.151 8.238 -5.477 255 H VAL 30 HN VAL 30 16.850 7.940 -1.257 256 HA VAL 30 HA VAL 30 19.179 6.717 -0.102 257 HB VAL 30 HB VAL 30 17.816 6.466 1.915 258 HG11 VAL 30 HG11 VAL 30 17.450 9.167 0.624 259 HG12 VAL 30 HG12 VAL 30 18.901 8.615 1.458 260 HG13 VAL 30 HG13 VAL 30 17.396 8.822 2.352 261 HG21 VAL 30 HG21 VAL 30 15.503 7.253 1.980 262 HG22 VAL 30 HG22 VAL 30 15.684 5.900 0.863 263 HG23 VAL 30 HG23 VAL 30 15.549 7.546 0.243 264 H ALA 31 HN ALA 31 19.011 4.612 1.043 265 HA ALA 31 HA ALA 31 17.911 2.619 -0.769 266 HB1 ALA 31 HB1 ALA 31 20.244 2.404 -0.049 267 HB2 ALA 31 HB2 ALA 31 19.276 1.022 0.463 268 HB3 ALA 31 HB3 ALA 31 19.710 2.274 1.627 269 H VAL 32 HN VAL 32 15.775 2.446 -0.380 270 HA VAL 32 HA VAL 32 14.824 2.181 2.358 271 HB VAL 32 HB VAL 32 13.513 3.640 0.960 272 HG11 VAL 32 HG11 VAL 32 12.320 2.831 -1.030 273 HG12 VAL 32 HG12 VAL 32 13.160 1.286 -0.887 274 HG13 VAL 32 HG13 VAL 32 14.072 2.756 -1.225 275 HG21 VAL 32 HG21 VAL 32 12.059 1.046 1.445 276 HG22 VAL 32 HG22 VAL 32 11.296 2.612 1.171 277 HG23 VAL 32 HG23 VAL 32 12.283 2.351 2.609 278 H GLU 33 HN GLU 33 14.312 0.319 3.283 279 HA GLU 33 HA GLU 33 14.032 -2.073 1.582 280 HB2 GLU 33 HB2 GLU 33 15.136 -1.874 4.390 281 HB3 GLU 33 HB1 GLU 33 14.857 -3.376 3.521 282 HG2 GLU 33 HG2 GLU 33 16.461 -2.621 1.797 283 HG3 GLU 33 HG1 GLU 33 16.805 -1.206 2.792 284 H ILE 34 HN ILE 34 12.755 -3.817 2.795 285 HA ILE 34 HA ILE 34 10.153 -2.747 3.099 286 HB ILE 34 HB ILE 34 10.673 -4.984 2.128 287 HG12 ILE 34 HG12 ILE 34 8.750 -6.173 3.160 288 HG13 ILE 34 HG11 ILE 34 8.726 -4.967 4.443 289 HG21 ILE 34 HG21 ILE 34 12.337 -5.754 3.693 290 HG22 ILE 34 HG22 ILE 34 10.989 -6.890 3.657 291 HG23 ILE 34 HG23 ILE 34 11.153 -5.758 5.000 292 HD11 ILE 34 HD11 ILE 34 8.223 -4.476 1.518 293 HD12 ILE 34 HD12 ILE 34 8.266 -3.232 2.765 294 HD13 ILE 34 HD13 ILE 34 7.027 -4.480 2.812 295 H ASP 35 HN ASP 35 12.639 -3.090 5.383 296 HA ASP 35 HA ASP 35 10.675 -3.030 7.578 297 HB2 ASP 35 HB2 ASP 35 13.566 -3.893 7.580 298 HB3 ASP 35 HB1 ASP 35 12.631 -3.641 9.049 299 H SER 36 HN SER 36 12.190 -0.917 5.747 300 HA SER 36 HA SER 36 13.564 0.697 7.661 301 HB2 SER 36 HB2 SER 36 12.520 1.422 4.913 302 HB3 SER 36 HB1 SER 36 13.671 2.364 5.862 303 HG SER 36 HG SER 36 14.964 0.331 5.825 304 H ARG 37 HN ARG 37 12.751 2.106 9.055 305 HA ARG 37 HA ARG 37 9.949 2.817 9.006 306 HB2 ARG 37 HB2 ARG 37 12.153 3.917 10.762 307 HB3 ARG 37 HB1 ARG 37 10.425 4.081 11.028 308 HG2 ARG 37 HG2 ARG 37 10.318 1.590 11.267 309 HG3 ARG 37 HG1 ARG 37 12.084 1.581 11.234 310 HD2 ARG 37 HD2 ARG 37 10.273 2.891 13.253 311 HD3 ARG 37 HD1 ARG 37 11.431 1.588 13.521 312 HE ARG 37 HE ARG 37 13.100 3.451 12.746 313 HH11 ARG 37 HH11 ARG 37 10.302 3.845 14.837 314 HH12 ARG 37 HH12 ARG 37 10.978 5.203 15.676 315 HH21 ARG 37 HH21 ARG 37 13.975 5.212 13.849 316 HH22 ARG 37 HH22 ARG 37 13.078 5.970 15.132 317 H PHE 38 HN PHE 38 9.100 4.763 8.400 318 HA PHE 38 HA PHE 38 10.482 6.287 6.478 319 HB2 PHE 38 HB2 PHE 38 7.932 6.811 7.999 320 HB3 PHE 38 HB1 PHE 38 8.537 7.900 6.756 321 HD1 PHE 38 HD1 PHE 38 6.550 5.065 7.419 322 HD2 PHE 38 HD2 PHE 38 9.011 6.836 4.431 323 HE1 PHE 38 HE1 PHE 38 5.455 3.684 5.704 324 HE2 PHE 38 HE2 PHE 38 7.917 5.459 2.712 325 HZ PHE 38 HZ PHE 38 6.132 3.924 3.317 326 H SER 39 HN SER 39 10.281 6.543 9.908 327 HA SER 39 HA SER 39 11.068 9.213 10.262 328 HB2 SER 39 HB2 SER 39 11.834 6.906 12.057 329 HB3 SER 39 HB1 SER 39 11.551 8.588 12.514 330 HG SER 39 HG SER 39 9.347 8.276 11.886 331 H ASP 40 HN ASP 40 13.000 6.217 10.160 332 HA ASP 40 HA ASP 40 15.484 7.681 10.263 333 HB2 ASP 40 HB2 ASP 40 14.983 4.737 9.773 334 HB3 ASP 40 HB1 ASP 40 16.553 5.472 10.081 335 H LEU 41 HN LEU 41 13.313 6.863 7.845 336 HA LEU 41 HA LEU 41 15.234 6.502 5.734 337 HB2 LEU 41 HB2 LEU 41 12.911 5.468 5.926 338 HB3 LEU 41 HB1 LEU 41 12.288 7.041 5.477 339 HG LEU 41 HG LEU 41 13.467 6.898 3.329 340 HD11 LEU 41 HD11 LEU 41 14.469 4.754 2.652 341 HD12 LEU 41 HD12 LEU 41 14.259 4.150 4.296 342 HD13 LEU 41 HD13 LEU 41 15.346 5.503 3.984 343 HD21 LEU 41 HD21 LEU 41 11.725 4.543 4.015 344 HD22 LEU 41 HD22 LEU 41 12.068 5.114 2.381 345 HD23 LEU 41 HD23 LEU 41 11.178 6.140 3.507 346 H GLY 42 HN GLY 42 13.622 9.123 7.270 347 HA2 GLY 42 HA2 GLY 42 14.435 11.347 7.021 348 HA3 GLY 42 HA1 GLY 42 14.925 10.953 5.382 349 H LEU 43 HN LEU 43 11.792 9.901 6.307 350 HA LEU 43 HA LEU 43 10.631 12.010 4.641 351 HB2 LEU 43 HB2 LEU 43 9.678 9.292 5.478 352 HB3 LEU 43 HB1 LEU 43 8.531 10.494 4.928 353 HG LEU 43 HG LEU 43 9.074 9.029 3.098 354 HD11 LEU 43 HD11 LEU 43 10.472 11.667 2.697 355 HD12 LEU 43 HD12 LEU 43 8.731 11.410 2.595 356 HD13 LEU 43 HD13 LEU 43 9.809 10.622 1.442 357 HD21 LEU 43 HD21 LEU 43 11.347 8.829 2.215 358 HD22 LEU 43 HD22 LEU 43 11.230 8.213 3.863 359 HD23 LEU 43 HD23 LEU 43 11.953 9.792 3.562 360 H SER 44 HN SER 44 10.210 13.751 5.812 361 HA SER 44 HA SER 44 9.396 13.632 8.551 362 HB2 SER 44 HB2 SER 44 8.932 16.216 7.659 363 HB3 SER 44 HB1 SER 44 10.429 15.621 8.376 364 HG SER 44 HG SER 44 9.804 16.131 5.692 365 H SER 45 HN SER 45 7.431 15.334 9.007 366 HA SER 45 HA SER 45 5.199 13.736 8.727 367 HB2 SER 45 HB2 SER 45 3.951 15.854 9.467 368 HB3 SER 45 HB1 SER 45 5.230 15.253 10.521 369 HG SER 45 HG SER 45 5.670 17.368 10.335 370 H LEU 46 HN LEU 46 5.578 16.920 7.143 371 HA LEU 46 HA LEU 46 3.215 16.657 5.623 372 HB2 LEU 46 HB2 LEU 46 5.605 18.419 5.092 373 HB3 LEU 46 HB1 LEU 46 4.016 18.611 4.384 374 HG LEU 46 HG LEU 46 4.696 18.919 7.307 375 HD11 LEU 46 HD11 LEU 46 4.148 21.276 6.933 376 HD12 LEU 46 HD12 LEU 46 3.940 20.949 5.212 377 HD13 LEU 46 HD13 LEU 46 5.524 20.758 5.962 378 HD21 LEU 46 HD21 LEU 46 2.078 19.249 5.849 379 HD22 LEU 46 HD22 LEU 46 2.378 19.727 7.519 380 HD23 LEU 46 HD23 LEU 46 2.464 18.026 7.060 381 H ASP 47 HN ASP 47 6.572 15.925 4.930 382 HA ASP 47 HA ASP 47 6.270 15.448 2.158 383 HB2 ASP 47 HB2 ASP 47 8.322 14.348 4.092 384 HB3 ASP 47 HB1 ASP 47 8.431 14.240 2.338 385 H LEU 48 HN LEU 48 6.218 13.295 4.976 386 HA LEU 48 HA LEU 48 5.786 10.912 3.524 387 HB2 LEU 48 HB2 LEU 48 6.578 10.900 5.830 388 HB3 LEU 48 HB1 LEU 48 5.075 11.616 6.373 389 HG LEU 48 HG LEU 48 3.855 9.591 5.751 390 HD11 LEU 48 HD11 LEU 48 6.557 8.536 4.933 391 HD12 LEU 48 HD12 LEU 48 5.191 8.869 3.867 392 HD13 LEU 48 HD13 LEU 48 5.083 7.578 5.064 393 HD21 LEU 48 HD21 LEU 48 4.781 8.096 7.439 394 HD22 LEU 48 HD22 LEU 48 4.798 9.769 7.999 395 HD23 LEU 48 HD23 LEU 48 6.288 9.011 7.437 396 H ALA 49 HN ALA 49 3.572 13.236 5.024 397 HA ALA 49 HA ALA 49 1.165 11.899 4.532 398 HB1 ALA 49 HB1 ALA 49 0.093 14.071 4.745 399 HB2 ALA 49 HB2 ALA 49 1.640 14.881 4.506 400 HB3 ALA 49 HB3 ALA 49 1.371 13.904 5.948 401 H THR 50 HN THR 50 3.096 13.992 2.470 402 HA THR 50 HA THR 50 1.274 14.066 0.293 403 HB THR 50 HB THR 50 4.276 14.467 0.269 404 HG1 THR 50 HG1 THR 50 3.236 15.905 1.710 405 HG21 THR 50 HG21 THR 50 2.133 15.362 -1.666 406 HG22 THR 50 HG22 THR 50 3.372 14.145 -1.970 407 HG23 THR 50 HG23 THR 50 3.831 15.831 -1.736 408 H LEU 51 HN LEU 51 4.016 11.999 1.144 409 HA LEU 51 HA LEU 51 4.051 10.380 -1.145 410 HB2 LEU 51 HB2 LEU 51 5.837 10.312 0.485 411 HB3 LEU 51 HB1 LEU 51 4.734 9.754 1.726 412 HG LEU 51 HG LEU 51 4.436 7.634 0.484 413 HD11 LEU 51 HD11 LEU 51 6.596 8.727 -1.308 414 HD12 LEU 51 HD12 LEU 51 4.913 8.455 -1.760 415 HD13 LEU 51 HD13 LEU 51 5.948 7.088 -1.345 416 HD21 LEU 51 HD21 LEU 51 6.635 6.711 0.995 417 HD22 LEU 51 HD22 LEU 51 6.088 7.799 2.270 418 HD23 LEU 51 HD23 LEU 51 7.298 8.341 1.109 419 H ILE 52 HN ILE 52 2.220 10.127 1.870 420 HA ILE 52 HA ILE 52 0.882 7.732 1.448 421 HB ILE 52 HB ILE 52 -0.188 10.239 2.754 422 HG12 ILE 52 HG12 ILE 52 1.867 9.465 3.808 423 HG13 ILE 52 HG11 ILE 52 0.491 9.170 4.867 424 HG21 ILE 52 HG21 ILE 52 -1.739 8.759 3.936 425 HG22 ILE 52 HG22 ILE 52 -1.158 7.399 2.977 426 HG23 ILE 52 HG23 ILE 52 -2.000 8.734 2.192 427 HD11 ILE 52 HD11 ILE 52 0.480 6.825 4.162 428 HD12 ILE 52 HD12 ILE 52 2.006 7.301 4.905 429 HD13 ILE 52 HD13 ILE 52 1.892 7.139 3.154 430 H SER 53 HN SER 53 -0.171 11.011 0.542 431 HA SER 53 HA SER 53 -2.555 10.228 -0.713 432 HB2 SER 53 HB2 SER 53 -0.880 12.681 -1.289 433 HB3 SER 53 HB1 SER 53 -2.604 12.482 -1.610 434 HG SER 53 HG SER 53 -2.782 12.108 0.740 435 H ASN 54 HN ASN 54 0.733 10.539 -1.935 436 HA ASN 54 HA ASN 54 0.186 10.331 -4.680 437 HB2 ASN 54 HB2 ASN 54 2.555 9.963 -2.953 438 HB3 ASN 54 HB1 ASN 54 2.603 9.107 -4.490 439 HD21 ASN 54 HD21 ASN 54 2.432 12.233 -2.953 440 HD22 ASN 54 HD22 ASN 54 2.883 13.156 -4.349 441 H LEU 55 HN LEU 55 1.047 7.794 -2.332 442 HA LEU 55 HA LEU 55 0.783 5.673 -4.202 443 HB2 LEU 55 HB2 LEU 55 2.090 5.614 -2.050 444 HB3 LEU 55 HB1 LEU 55 0.561 5.491 -1.201 445 HG LEU 55 HG LEU 55 0.116 3.391 -2.544 446 HD11 LEU 55 HD11 LEU 55 3.030 3.759 -3.209 447 HD12 LEU 55 HD12 LEU 55 1.679 3.713 -4.342 448 HD13 LEU 55 HD13 LEU 55 2.129 2.265 -3.445 449 HD21 LEU 55 HD21 LEU 55 0.786 3.323 -0.211 450 HD22 LEU 55 HD22 LEU 55 2.483 3.423 -0.679 451 HD23 LEU 55 HD23 LEU 55 1.530 2.002 -1.111 452 H GLU 56 HN GLU 56 -1.381 7.154 -1.860 453 HA GLU 56 HA GLU 56 -3.492 5.330 -1.960 454 HB2 GLU 56 HB2 GLU 56 -3.214 7.264 -0.361 455 HB3 GLU 56 HB1 GLU 56 -3.736 8.331 -1.653 456 HG2 GLU 56 HG2 GLU 56 -5.438 6.056 -0.694 457 HG3 GLU 56 HG1 GLU 56 -5.457 7.635 0.088 458 H ALA 57 HN ALA 57 -2.797 8.157 -3.983 459 HA ALA 57 HA ALA 57 -5.132 7.994 -5.563 460 HB1 ALA 57 HB1 ALA 57 -3.772 10.017 -5.432 461 HB2 ALA 57 HB2 ALA 57 -3.979 9.494 -7.102 462 HB3 ALA 57 HB3 ALA 57 -2.456 9.193 -6.266 463 H VAL 58 HN VAL 58 -2.135 6.260 -5.636 464 HA VAL 58 HA VAL 58 -2.216 5.369 -8.320 465 HB VAL 58 HB VAL 58 -0.925 4.105 -5.893 466 HG11 VAL 58 HG11 VAL 58 -0.575 3.441 -8.816 467 HG12 VAL 58 HG12 VAL 58 -1.277 2.400 -7.578 468 HG13 VAL 58 HG13 VAL 58 0.432 2.825 -7.505 469 HG21 VAL 58 HG21 VAL 58 -0.039 6.302 -6.442 470 HG22 VAL 58 HG22 VAL 58 0.219 5.797 -8.112 471 HG23 VAL 58 HG23 VAL 58 1.142 5.046 -6.810 472 H TYR 59 HN TYR 59 -3.452 3.960 -5.297 473 HA TYR 59 HA TYR 59 -4.583 1.752 -6.851 474 HB2 TYR 59 HB2 TYR 59 -4.337 2.099 -3.862 475 HB3 TYR 59 HB1 TYR 59 -5.013 0.686 -4.664 476 HD1 TYR 59 HD1 TYR 59 -3.517 -0.712 -6.120 477 HD2 TYR 59 HD2 TYR 59 -2.009 2.339 -3.577 478 HE1 TYR 59 HE1 TYR 59 -1.277 -1.700 -6.273 479 HE2 TYR 59 HE2 TYR 59 0.240 1.356 -3.717 480 HH TYR 59 HH TYR 59 1.011 -1.127 -5.978 481 H GLY 60 HN GLY 60 -5.587 4.216 -4.498 482 HA2 GLY 60 HA2 GLY 60 -7.661 5.306 -4.450 483 HA3 GLY 60 HA1 GLY 60 -8.292 4.119 -5.585 484 H THR 61 HN THR 61 -6.722 2.331 -3.417 485 HA THR 61 HA THR 61 -9.187 1.728 -1.977 486 HB THR 61 HB THR 61 -7.823 -0.391 -1.375 487 HG1 THR 61 HG1 THR 61 -6.167 -0.825 -2.932 488 HG21 THR 61 HG21 THR 61 -9.716 -0.403 -2.921 489 HG22 THR 61 HG22 THR 61 -8.429 -1.458 -3.503 490 HG23 THR 61 HG23 THR 61 -8.661 0.131 -4.231 491 H ASP 62 HN ASP 62 -8.590 0.593 0.238 492 HA ASP 62 HA ASP 62 -8.117 0.928 2.420 493 HB2 ASP 62 HB2 ASP 62 -5.876 0.221 1.681 494 HB3 ASP 62 HB1 ASP 62 -5.452 1.904 1.384 495 HA PRO 63 HA PRO 63 -9.193 5.340 2.546 496 HB2 PRO 63 HB2 PRO 63 -11.047 5.080 4.503 497 HB3 PRO 63 HB1 PRO 63 -11.403 4.760 2.802 498 HG2 PRO 63 HG2 PRO 63 -10.814 2.834 5.012 499 HG3 PRO 63 HG1 PRO 63 -12.009 2.713 3.708 500 HD2 PRO 63 HD2 PRO 63 -9.602 1.426 3.672 501 HD3 PRO 63 HD1 PRO 63 -10.472 1.920 2.206 502 H PHE 64 HN PHE 64 -7.726 6.536 3.562 503 HA PHE 64 HA PHE 64 -6.519 5.692 6.029 504 HB2 PHE 64 HB2 PHE 64 -6.141 8.108 4.274 505 HB3 PHE 64 HB1 PHE 64 -5.317 7.938 5.820 506 HD1 PHE 64 HD1 PHE 64 -3.572 6.288 6.123 507 HD2 PHE 64 HD2 PHE 64 -5.565 6.722 2.389 508 HE1 PHE 64 HE1 PHE 64 -1.810 4.968 5.032 509 HE2 PHE 64 HE2 PHE 64 -3.804 5.402 1.292 510 HZ PHE 64 HZ PHE 64 -1.915 4.522 2.630 511 H ALA 65 HN ALA 65 -9.449 6.867 5.610 512 HA ALA 65 HA ALA 65 -9.635 8.968 7.486 513 HB1 ALA 65 HB1 ALA 65 -12.011 8.412 7.603 514 HB2 ALA 65 HB2 ALA 65 -11.703 6.889 6.770 515 HB3 ALA 65 HB3 ALA 65 -11.449 8.420 5.932 516 H ASP 66 HN ASP 66 -9.630 5.472 7.771 517 HA ASP 66 HA ASP 66 -10.121 5.472 10.605 518 HB2 ASP 66 HB2 ASP 66 -9.139 3.284 8.757 519 HB3 ASP 66 HB1 ASP 66 -9.579 3.050 10.443 520 H ALA 67 HN ALA 67 -7.345 5.184 8.477 521 HA ALA 67 HA ALA 67 -5.538 4.869 10.752 522 HB1 ALA 67 HB1 ALA 67 -5.278 3.324 8.870 523 HB2 ALA 67 HB2 ALA 67 -3.838 4.320 9.093 524 HB3 ALA 67 HB3 ALA 67 -4.973 4.688 7.794 525 H VAL 68 HN VAL 68 -6.886 7.383 10.243 526 HA VAL 68 HA VAL 68 -5.356 9.242 8.841 527 HB VAL 68 HB VAL 68 -7.675 9.634 9.601 528 HG11 VAL 68 HG11 VAL 68 -8.079 10.457 11.883 529 HG12 VAL 68 HG12 VAL 68 -6.419 10.038 12.310 530 HG13 VAL 68 HG13 VAL 68 -7.560 8.773 11.853 531 HG21 VAL 68 HG21 VAL 68 -6.334 11.503 8.832 532 HG22 VAL 68 HG22 VAL 68 -5.693 11.737 10.458 533 HG23 VAL 68 HG23 VAL 68 -7.404 12.013 10.138 534 H ALA 69 HN ALA 69 -4.919 7.954 12.059 535 HA ALA 69 HA ALA 69 -2.948 9.832 12.889 536 HB1 ALA 69 HB1 ALA 69 -2.345 8.159 14.583 537 HB2 ALA 69 HB2 ALA 69 -3.387 6.982 13.783 538 HB3 ALA 69 HB3 ALA 69 -4.086 8.424 14.518 539 H ILE 70 HN ILE 70 -1.173 10.156 11.736 540 HA ILE 70 HA ILE 70 -0.176 8.375 9.807 541 HB ILE 70 HB ILE 70 0.176 10.820 9.751 542 HG12 ILE 70 HG12 ILE 70 2.554 10.770 9.008 543 HG13 ILE 70 HG11 ILE 70 2.699 9.154 9.691 544 HG21 ILE 70 HG21 ILE 70 2.175 10.317 11.948 545 HG22 ILE 70 HG22 ILE 70 0.644 11.174 12.112 546 HG23 ILE 70 HG23 ILE 70 1.922 11.845 11.106 547 HD11 ILE 70 HD11 ILE 70 1.027 8.332 8.134 548 HD12 ILE 70 HD12 ILE 70 2.362 9.101 7.278 549 HD13 ILE 70 HD13 ILE 70 0.831 9.954 7.473 550 H THR 71 HN THR 71 0.318 8.550 13.188 551 HA THR 71 HA THR 71 2.858 7.333 13.388 552 HB THR 71 HB THR 71 2.048 6.752 15.734 553 HG1 THR 71 HG1 THR 71 0.036 8.322 16.008 554 HG21 THR 71 HG21 THR 71 2.097 9.096 16.474 555 HG22 THR 71 HG22 THR 71 1.848 9.624 14.810 556 HG23 THR 71 HG23 THR 71 3.330 8.780 15.255 557 H SER 72 HN SER 72 -0.046 6.081 12.279 558 HA SER 72 HA SER 72 0.327 3.371 13.180 559 HB2 SER 72 HB2 SER 72 -1.384 4.307 10.869 560 HB3 SER 72 HB1 SER 72 -1.584 2.848 11.840 561 HG SER 72 HG SER 72 -2.126 5.531 12.507 562 H ILE 73 HN ILE 73 1.384 5.355 10.555 563 HA ILE 73 HA ILE 73 2.388 3.023 9.078 564 HB ILE 73 HB ILE 73 2.283 5.916 8.191 565 HG12 ILE 73 HG12 ILE 73 0.023 4.979 8.476 566 HG13 ILE 73 HG11 ILE 73 0.395 5.248 6.776 567 HG21 ILE 73 HG21 ILE 73 2.728 5.007 5.955 568 HG22 ILE 73 HG22 ILE 73 2.874 3.392 6.649 569 HG23 ILE 73 HG23 ILE 73 4.034 4.646 7.085 570 HD11 ILE 73 HD11 ILE 73 0.468 2.605 8.214 571 HD12 ILE 73 HD12 ILE 73 0.870 2.860 6.516 572 HD13 ILE 73 HD13 ILE 73 -0.773 3.152 7.087 573 H VAL 74 HN VAL 74 4.145 2.533 10.375 574 HA VAL 74 HA VAL 74 6.121 4.627 10.887 575 HB VAL 74 HB VAL 74 6.053 1.771 11.877 576 HG11 VAL 74 HG11 VAL 74 7.778 4.100 12.706 577 HG12 VAL 74 HG12 VAL 74 8.306 2.666 11.827 578 HG13 VAL 74 HG13 VAL 74 7.741 2.522 13.490 579 HG21 VAL 74 HG21 VAL 74 4.175 3.052 12.747 580 HG22 VAL 74 HG22 VAL 74 5.272 4.325 13.280 581 HG23 VAL 74 HG23 VAL 74 5.351 2.727 14.021 582 H THR 75 HN THR 75 5.912 1.368 9.504 583 HA THR 75 HA THR 75 8.458 1.869 8.113 584 HB THR 75 HB THR 75 8.560 -0.609 7.806 585 HG1 THR 75 HG1 THR 75 6.141 -0.416 9.252 586 HG21 THR 75 HG21 THR 75 9.802 0.412 9.625 587 HG22 THR 75 HG22 THR 75 9.147 -1.140 10.145 588 HG23 THR 75 HG23 THR 75 8.377 0.360 10.661 589 H VAL 76 HN VAL 76 8.618 0.973 5.901 590 HA VAL 76 HA VAL 76 6.517 1.714 4.228 591 HB VAL 76 HB VAL 76 7.704 0.389 2.479 592 HG11 VAL 76 HG11 VAL 76 9.735 1.764 2.483 593 HG12 VAL 76 HG12 VAL 76 9.432 2.191 4.167 594 HG13 VAL 76 HG13 VAL 76 8.310 2.714 2.909 595 HG21 VAL 76 HG21 VAL 76 9.851 -0.618 3.055 596 HG22 VAL 76 HG22 VAL 76 8.498 -1.409 3.865 597 HG23 VAL 76 HG23 VAL 76 9.528 -0.290 4.757 598 H ALA 77 HN ALA 77 7.297 -1.324 5.757 599 HA ALA 77 HA ALA 77 5.634 -3.057 4.347 600 HB1 ALA 77 HB1 ALA 77 7.336 -3.797 5.942 601 HB2 ALA 77 HB2 ALA 77 5.762 -4.506 6.299 602 HB3 ALA 77 HB3 ALA 77 6.365 -3.163 7.270 603 H ASP 78 HN ASP 78 4.928 -0.895 7.053 604 HA ASP 78 HA ASP 78 2.333 -1.796 7.630 605 HB2 ASP 78 HB2 ASP 78 3.496 0.990 7.864 606 HB3 ASP 78 HB1 ASP 78 1.943 0.507 8.533 607 H LEU 79 HN LEU 79 3.494 0.687 5.417 608 HA LEU 79 HA LEU 79 0.912 1.430 4.481 609 HB2 LEU 79 HB2 LEU 79 2.912 2.900 4.451 610 HB3 LEU 79 HB1 LEU 79 3.622 1.872 3.223 611 HG LEU 79 HG LEU 79 1.826 2.478 1.667 612 HD11 LEU 79 HD11 LEU 79 0.297 4.324 2.255 613 HD12 LEU 79 HD12 LEU 79 0.880 4.246 3.918 614 HD13 LEU 79 HD13 LEU 79 0.021 2.874 3.218 615 HD21 LEU 79 HD21 LEU 79 2.483 4.817 1.328 616 HD22 LEU 79 HD22 LEU 79 3.872 3.788 1.675 617 HD23 LEU 79 HD23 LEU 79 3.216 4.837 2.933 618 H ALA 80 HN ALA 80 3.435 -0.758 3.341 619 HA ALA 80 HA ALA 80 2.274 -1.314 0.822 620 HB1 ALA 80 HB1 ALA 80 4.628 -1.730 1.316 621 HB2 ALA 80 HB2 ALA 80 3.827 -3.188 0.729 622 HB3 ALA 80 HB3 ALA 80 4.168 -3.000 2.450 623 H ARG 81 HN ARG 81 2.114 -3.082 3.930 624 HA ARG 81 HA ARG 81 0.590 -5.237 2.938 625 HB2 ARG 81 HB2 ARG 81 0.903 -4.150 5.727 626 HB3 ARG 81 HB1 ARG 81 -0.047 -5.581 5.364 627 HG2 ARG 81 HG2 ARG 81 1.984 -6.610 4.380 628 HG3 ARG 81 HG1 ARG 81 2.903 -5.205 4.929 629 HD2 ARG 81 HD2 ARG 81 1.357 -7.127 6.664 630 HD3 ARG 81 HD1 ARG 81 3.109 -7.038 6.514 631 HE ARG 81 HE ARG 81 1.394 -4.988 7.756 632 HH11 ARG 81 HH11 ARG 81 4.538 -6.468 7.305 633 HH12 ARG 81 HH12 ARG 81 5.278 -5.582 8.600 634 HH21 ARG 81 HH21 ARG 81 2.364 -3.825 9.455 635 HH22 ARG 81 HH22 ARG 81 4.040 -4.079 9.820 636 H ALA 82 HN ALA 82 -0.323 -2.067 4.066 637 HA ALA 82 HA ALA 82 -3.038 -2.463 4.560 638 HB1 ALA 82 HB1 ALA 82 -1.867 -0.384 5.093 639 HB2 ALA 82 HB2 ALA 82 -3.305 -0.074 4.118 640 HB3 ALA 82 HB3 ALA 82 -1.707 -0.029 3.373 641 H TYR 83 HN TYR 83 -1.319 -1.876 1.534 642 HA TYR 83 HA TYR 83 -3.801 -1.984 0.026 643 HB2 TYR 83 HB2 TYR 83 -0.943 -1.450 -0.759 644 HB3 TYR 83 HB1 TYR 83 -2.235 -1.627 -1.944 645 HD1 TYR 83 HD1 TYR 83 -0.584 0.617 0.307 646 HD2 TYR 83 HD2 TYR 83 -4.234 -0.079 -1.759 647 HE1 TYR 83 HE1 TYR 83 -1.206 2.978 0.616 648 HE2 TYR 83 HE2 TYR 83 -4.861 2.273 -1.462 649 HH TYR 83 HH TYR 83 -4.331 4.121 0.099 650 H ALA 84 HN ALA 84 -1.367 -4.130 1.051 651 HA ALA 84 HA ALA 84 -1.579 -6.036 -1.058 652 HB1 ALA 84 HB1 ALA 84 0.326 -6.012 0.486 653 HB2 ALA 84 HB2 ALA 84 -0.480 -7.581 0.474 654 HB3 ALA 84 HB3 ALA 84 -0.746 -6.463 1.811 655 H GLN 85 HN GLN 85 -3.384 -5.346 1.840 656 HA GLN 85 HA GLN 85 -4.995 -7.747 1.626 657 HB2 GLN 85 HB2 GLN 85 -5.228 -5.331 3.424 658 HB3 GLN 85 HB1 GLN 85 -6.273 -6.741 3.515 659 HG2 GLN 85 HG2 GLN 85 -3.297 -6.730 3.940 660 HG3 GLN 85 HG1 GLN 85 -4.520 -6.786 5.206 661 HE21 GLN 85 HE21 GLN 85 -6.261 -8.582 3.675 662 HE22 GLN 85 HE22 GLN 85 -5.507 -10.138 3.744 663 H GLN 86 HN GLN 86 -4.912 -4.856 0.026 664 HA GLN 86 HA GLN 86 -7.793 -4.588 -0.252 665 HB2 GLN 86 HB2 GLN 86 -5.486 -2.982 -1.325 666 HB3 GLN 86 HB1 GLN 86 -7.155 -2.679 -1.788 667 HG2 GLN 86 HG2 GLN 86 -6.049 -2.543 1.008 668 HG3 GLN 86 HG1 GLN 86 -6.411 -1.166 -0.030 669 HE21 GLN 86 HE21 GLN 86 -7.719 -3.671 1.963 670 HE22 GLN 86 HE22 GLN 86 -9.341 -3.081 2.006 671 H GLY 87 HN GLY 87 -8.845 -5.771 -1.673 672 HA2 GLY 87 HA2 GLY 87 -9.382 -6.757 -3.695 673 HA3 GLY 87 HA1 GLY 87 -7.882 -6.126 -4.360 674 H VAL 88 HN VAL 88 -7.871 -7.992 -1.437 675 HA VAL 88 HA VAL 88 -6.074 -9.877 -2.627 676 HB VAL 88 HB VAL 88 -5.612 -9.213 -0.383 677 HG11 VAL 88 HG11 VAL 88 -7.824 -8.595 0.370 678 HG12 VAL 88 HG12 VAL 88 -7.124 -9.757 1.498 679 HG13 VAL 88 HG13 VAL 88 -8.340 -10.281 0.332 680 HG21 VAL 88 HG21 VAL 88 -6.573 -12.067 -0.451 681 HG22 VAL 88 HG22 VAL 88 -5.514 -11.385 0.784 682 HG23 VAL 88 HG23 VAL 88 -4.970 -11.476 -0.889 683 HA PRO 89 HA PRO 89 -9.136 -12.823 -3.894 684 HB2 PRO 89 HB2 PRO 89 -7.391 -14.837 -4.446 685 HB3 PRO 89 HB1 PRO 89 -7.645 -13.459 -5.520 686 HG2 PRO 89 HG2 PRO 89 -5.462 -13.929 -3.528 687 HG3 PRO 89 HG1 PRO 89 -5.356 -13.273 -5.172 688 HD2 PRO 89 HD2 PRO 89 -5.322 -11.692 -2.970 689 HD3 PRO 89 HD1 PRO 89 -6.031 -11.169 -4.512 690 H GLY 90 HN GLY 90 -10.351 -13.602 -2.244 691 HA2 GLY 90 HA2 GLY 90 -10.438 -15.929 -1.167 692 HA3 GLY 90 HA1 GLY 90 -9.025 -15.366 -0.291 693 HA PRO 91 HA PRO 91 -11.319 -13.697 3.038 694 HB2 PRO 91 HB2 PRO 91 -10.207 -11.004 2.406 695 HB3 PRO 91 HB1 PRO 91 -10.209 -11.889 3.935 696 HG2 PRO 91 HG2 PRO 91 -7.993 -11.734 2.486 697 HG3 PRO 91 HG1 PRO 91 -8.431 -13.246 3.303 698 HD2 PRO 91 HD2 PRO 91 -8.646 -12.520 0.414 699 HD3 PRO 91 HD1 PRO 91 -8.228 -14.075 1.159 700 H SER 92 HN SER 92 -13.366 -13.126 3.253 701 HA SER 92 HA SER 92 -14.664 -11.636 1.108 702 HB2 SER 92 HB2 SER 92 -15.873 -13.133 3.447 703 HB3 SER 92 HB1 SER 92 -16.740 -12.505 2.045 704 HG SER 92 HG SER 92 -16.385 -14.455 1.306 705 HA PRO 93 HA PRO 93 -14.675 -8.015 3.746 706 HB2 PRO 93 HB2 PRO 93 -16.557 -6.863 1.832 707 HB3 PRO 93 HB1 PRO 93 -14.908 -6.364 2.212 708 HG2 PRO 93 HG2 PRO 93 -15.585 -7.509 -0.146 709 HG3 PRO 93 HG1 PRO 93 -13.990 -7.704 0.597 710 HD2 PRO 93 HD2 PRO 93 -16.299 -9.598 0.546 711 HD3 PRO 93 HD1 PRO 93 -14.561 -9.928 0.390 712 H ASP 94 HN ASP 94 -17.619 -9.412 2.391 713 HA ASP 94 HA ASP 94 -19.124 -8.384 4.694 714 HB2 ASP 94 HB2 ASP 94 -21.137 -8.666 3.393 715 HB3 ASP 94 HB1 ASP 94 -19.976 -7.760 2.431 716 HA PRO 95 HA PRO 95 -19.171 -12.440 6.315 717 HB2 PRO 95 HB2 PRO 95 -21.169 -12.196 8.108 718 HB3 PRO 95 HB1 PRO 95 -19.611 -11.387 8.314 719 HG2 PRO 95 HG2 PRO 95 -22.200 -10.282 7.301 720 HG3 PRO 95 HG1 PRO 95 -21.038 -9.556 8.426 721 HD2 PRO 95 HD2 PRO 95 -21.166 -8.906 5.785 722 HD3 PRO 95 HD1 PRO 95 -19.669 -8.829 6.734 723 H LEU 96 HN LEU 96 -21.809 -11.206 4.538 724 HA LEU 96 HA LEU 96 -23.573 -13.425 4.883 725 HB2 LEU 96 HB2 LEU 96 -24.428 -11.234 4.236 726 HB3 LEU 96 HB1 LEU 96 -23.489 -11.284 2.759 727 HG LEU 96 HG LEU 96 -24.856 -13.290 2.066 728 HD11 LEU 96 HD11 LEU 96 -25.757 -14.066 4.119 729 HD12 LEU 96 HD12 LEU 96 -27.107 -13.437 3.180 730 HD13 LEU 96 HD13 LEU 96 -26.431 -12.483 4.499 731 HD21 LEU 96 HD21 LEU 96 -25.250 -11.047 1.185 732 HD22 LEU 96 HD22 LEU 96 -26.339 -10.710 2.529 733 HD23 LEU 96 HD23 LEU 96 -26.752 -11.953 1.351 734 H ASP 97 HN ASP 97 -21.010 -12.573 2.673 735 HA ASP 97 HA ASP 97 -21.386 -14.535 0.719 736 HB2 ASP 97 HB2 ASP 97 -19.770 -12.756 0.416 737 HB3 ASP 97 HB1 ASP 97 -18.828 -13.326 1.791 738 H ALA 98 HN ALA 98 -19.894 -14.695 3.890 739 HA ALA 98 HA ALA 98 -19.102 -17.465 3.501 740 HB1 ALA 98 HB1 ALA 98 -17.575 -15.966 4.672 741 HB2 ALA 98 HB2 ALA 98 -18.104 -17.278 5.725 742 HB3 ALA 98 HB3 ALA 98 -18.801 -15.669 5.903 743 H GLN 99 HN GLN 99 -21.913 -15.964 4.201 744 HA GLN 99 HA GLN 99 -22.838 -17.696 6.328 745 HB2 GLN 99 HB2 GLN 99 -23.622 -15.328 6.037 746 HB3 GLN 99 HB1 GLN 99 -24.438 -15.830 4.563 747 HG2 GLN 99 HG2 GLN 99 -26.038 -15.730 6.330 748 HG3 GLN 99 HG1 GLN 99 -25.778 -17.422 5.908 749 HE21 GLN 99 HE21 GLN 99 -25.273 -14.950 8.281 750 HE22 GLN 99 HE22 GLN 99 -24.810 -15.996 9.577 751 H LEU 100 HN LEU 100 -22.606 -17.744 2.939 752 HA LEU 100 HA LEU 100 -24.781 -19.494 2.372 753 HB2 LEU 100 HB2 LEU 100 -22.257 -18.948 0.806 754 HB3 LEU 100 HB1 LEU 100 -23.663 -19.798 0.198 755 HG LEU 100 HG LEU 100 -23.630 -16.904 1.063 756 HD11 LEU 100 HD11 LEU 100 -23.680 -18.126 -1.692 757 HD12 LEU 100 HD12 LEU 100 -22.334 -17.246 -0.967 758 HD13 LEU 100 HD13 LEU 100 -23.845 -16.409 -1.322 759 HD21 LEU 100 HD21 LEU 100 -25.770 -18.569 -0.255 760 HD22 LEU 100 HD22 LEU 100 -25.847 -16.828 0.005 761 HD23 LEU 100 HD23 LEU 100 -25.806 -17.923 1.385 762 H ARG 101 HN ARG 101 -24.880 -21.472 3.212 763 HA ARG 101 HA ARG 101 -22.395 -22.957 3.660 764 HB2 ARG 101 HB2 ARG 101 -25.178 -23.568 4.670 765 HB3 ARG 101 HB1 ARG 101 -23.693 -24.381 5.145 766 HG2 ARG 101 HG2 ARG 101 -24.414 -21.509 5.693 767 HG3 ARG 101 HG1 ARG 101 -24.381 -22.831 6.862 768 HD2 ARG 101 HD2 ARG 101 -21.977 -23.082 6.515 769 HD3 ARG 101 HD1 ARG 101 -22.006 -21.786 5.322 770 HE ARG 101 HE ARG 101 -23.066 -20.849 7.754 771 HH11 ARG 101 HH11 ARG 101 -20.028 -21.802 6.311 772 HH12 ARG 101 HH12 ARG 101 -19.074 -20.761 7.319 773 HH21 ARG 101 HH21 ARG 101 -21.804 -19.479 9.099 774 HH22 ARG 101 HH22 ARG 101 -20.081 -19.450 8.902 775 H ASP 102 HN ASP 102 -25.437 -23.083 1.925 776 HA ASP 102 HA ASP 102 -24.966 -25.716 0.866 777 HB2 ASP 102 HB2 ASP 102 -27.263 -24.887 1.072 778 HB3 ASP 102 HB1 ASP 102 -26.895 -23.558 -0.022 779 H LEU 103 HN LEU 103 -24.718 -22.403 -0.320 780 HA LEU 103 HA LEU 103 -23.272 -23.245 -2.689 781 HB2 LEU 103 HB2 LEU 103 -23.883 -20.505 -1.572 782 HB3 LEU 103 HB1 LEU 103 -23.032 -20.785 -3.076 783 HG LEU 103 HG LEU 103 -25.858 -21.711 -2.557 784 HD11 LEU 103 HD11 LEU 103 -25.748 -19.275 -2.478 785 HD12 LEU 103 HD12 LEU 103 -26.546 -19.823 -3.952 786 HD13 LEU 103 HD13 LEU 103 -24.877 -19.257 -4.012 787 HD21 LEU 103 HD21 LEU 103 -25.937 -22.001 -4.968 788 HD22 LEU 103 HD22 LEU 103 -24.624 -22.956 -4.280 789 HD23 LEU 103 HD23 LEU 103 -24.271 -21.441 -5.108 790 H ARG 104 HN ARG 104 -21.580 -24.352 -1.522 791 HA ARG 104 HA ARG 104 -19.689 -22.530 -0.178 792 HB2 ARG 104 HB2 ARG 104 -19.007 -24.392 1.232 793 HB3 ARG 104 HB1 ARG 104 -20.736 -24.116 1.377 794 HG2 ARG 104 HG2 ARG 104 -21.120 -25.983 -0.202 795 HG3 ARG 104 HG1 ARG 104 -19.383 -26.291 -0.202 796 HD2 ARG 104 HD2 ARG 104 -21.222 -26.411 2.183 797 HD3 ARG 104 HD1 ARG 104 -20.527 -27.789 1.336 798 HE ARG 104 HE ARG 104 -18.439 -26.133 2.204 799 HH11 ARG 104 HH11 ARG 104 -20.887 -28.267 3.507 800 HH12 ARG 104 HH12 ARG 104 -19.992 -28.628 4.950 801 HH21 ARG 104 HH21 ARG 104 -17.242 -26.622 4.095 802 HH22 ARG 104 HH22 ARG 104 -17.910 -27.700 5.278 803 H GLN 105 HN GLN 105 -20.153 -24.384 -2.882 804 HA GLN 105 HA GLN 105 -17.402 -25.308 -3.111 805 HB2 GLN 105 HB2 GLN 105 -19.448 -26.651 -3.846 806 HB3 GLN 105 HB1 GLN 105 -19.580 -25.526 -5.189 807 HG2 GLN 105 HG2 GLN 105 -17.368 -26.173 -5.968 808 HG3 GLN 105 HG1 GLN 105 -17.205 -27.281 -4.607 809 HE21 GLN 105 HE21 GLN 105 -17.142 -27.819 -7.463 810 HE22 GLN 105 HE22 GLN 105 -18.391 -28.978 -7.758 811 H LEU 106 HN LEU 106 -17.156 -22.744 -2.896 812 HA LEU 106 HA LEU 106 -16.782 -21.741 -5.633 813 HB2 LEU 106 HB2 LEU 106 -18.682 -20.610 -4.497 814 HB3 LEU 106 HB1 LEU 106 -17.580 -20.086 -3.238 815 HG LEU 106 HG LEU 106 -16.289 -18.829 -4.969 816 HD11 LEU 106 HD11 LEU 106 -17.371 -18.396 -7.121 817 HD12 LEU 106 HD12 LEU 106 -18.624 -19.572 -6.724 818 HD13 LEU 106 HD13 LEU 106 -16.953 -20.096 -6.927 819 HD21 LEU 106 HD21 LEU 106 -17.888 -17.004 -5.155 820 HD22 LEU 106 HD22 LEU 106 -17.938 -17.721 -3.545 821 HD23 LEU 106 HD23 LEU 106 -19.201 -18.095 -4.717 Start of MODEL 3 1 H GLY -4 HT1 GLY -4 4.367 -24.084 -8.842 2 HA2 GLY -4 HA1 GLY -4 3.070 -23.807 -10.853 3 HA3 GLY -4 HA2 GLY -4 1.803 -24.798 -10.143 4 H ILE -3 HN ILE -3 0.206 -23.270 -10.059 5 HA ILE -3 HA ILE -3 0.697 -20.669 -8.904 6 HB ILE -3 HB ILE -3 -1.911 -21.980 -9.699 7 HG12 ILE -3 HG12 ILE -3 -0.451 -21.670 -11.623 8 HG13 ILE -3 HG11 ILE -3 -1.772 -20.509 -11.686 9 HG21 ILE -3 HG21 ILE -3 -2.874 -19.748 -9.600 10 HG22 ILE -3 HG22 ILE -3 -1.327 -19.090 -9.068 11 HG23 ILE -3 HG23 ILE -3 -2.210 -20.210 -8.032 12 HD11 ILE -3 HD11 ILE -3 1.059 -19.958 -10.831 13 HD12 ILE -3 HD12 ILE -3 -0.257 -18.787 -10.795 14 HD13 ILE -3 HD13 ILE -3 0.288 -19.453 -12.334 15 H ASP -2 HN ASP -2 0.439 -20.114 -6.835 16 HA ASP -2 HA ASP -2 -0.860 -22.053 -5.040 17 HB2 ASP -2 HB2 ASP -2 1.587 -21.975 -4.724 18 HB3 ASP -2 HB1 ASP -2 1.483 -20.246 -4.415 19 HA PRO -1 HA PRO -1 -3.646 -18.713 -4.200 20 HB2 PRO -1 HB2 PRO -1 -4.323 -20.118 -1.711 21 HB3 PRO -1 HB1 PRO -1 -5.337 -19.768 -3.114 22 HG2 PRO -1 HG2 PRO -1 -4.495 -22.259 -2.552 23 HG3 PRO -1 HG1 PRO -1 -4.701 -21.687 -4.218 24 HD2 PRO -1 HD2 PRO -1 -2.192 -21.981 -2.609 25 HD3 PRO -1 HD1 PRO -1 -2.493 -22.374 -4.314 26 H PHE 0 HN PHE 0 -1.135 -19.644 -1.987 27 HA PHE 0 HA PHE 0 -1.742 -17.384 -0.232 28 HB2 PHE 0 HB2 PHE 0 0.253 -19.631 0.083 29 HB3 PHE 0 HB1 PHE 0 -0.035 -18.360 1.265 30 HD1 PHE 0 HD1 PHE 0 -2.353 -18.171 2.275 31 HD2 PHE 0 HD2 PHE 0 -1.051 -21.564 0.058 32 HE1 PHE 0 HE1 PHE 0 -4.150 -19.514 3.281 33 HE2 PHE 0 HE2 PHE 0 -2.848 -22.912 1.063 34 HZ PHE 0 HZ PHE 0 -4.400 -21.887 2.677 35 H THR 1 HN THR 1 0.721 -18.569 -2.461 36 HA THR 1 HA THR 1 2.644 -16.569 -1.921 37 HB THR 1 HB THR 1 3.539 -17.090 -4.197 38 HG1 THR 1 HG1 THR 1 2.503 -18.873 -5.282 39 HG21 THR 1 HG21 THR 1 2.895 -19.473 -2.459 40 HG22 THR 1 HG22 THR 1 4.258 -18.376 -2.248 41 HG23 THR 1 HG23 THR 1 4.167 -19.403 -3.678 42 H LEU 2 HN LEU 2 -0.358 -16.478 -3.549 43 HA LEU 2 HA LEU 2 -0.030 -14.289 -5.254 44 HB2 LEU 2 HB2 LEU 2 -2.430 -15.132 -3.627 45 HB3 LEU 2 HB1 LEU 2 -2.475 -13.915 -4.888 46 HG LEU 2 HG LEU 2 -1.722 -16.806 -5.333 47 HD11 LEU 2 HD11 LEU 2 -3.913 -17.021 -6.386 48 HD12 LEU 2 HD12 LEU 2 -4.303 -15.363 -5.931 49 HD13 LEU 2 HD13 LEU 2 -4.066 -16.587 -4.683 50 HD21 LEU 2 HD21 LEU 2 -2.268 -14.541 -7.250 51 HD22 LEU 2 HD22 LEU 2 -2.007 -16.225 -7.706 52 HD23 LEU 2 HD23 LEU 2 -0.707 -15.305 -6.948 53 H ASN 3 HN ASN 3 -0.488 -14.468 -1.782 54 HA ASN 3 HA ASN 3 -0.894 -11.689 -1.349 55 HB2 ASN 3 HB2 ASN 3 0.104 -13.868 0.498 56 HB3 ASN 3 HB1 ASN 3 -0.222 -12.219 1.019 57 HD21 ASN 3 HD21 ASN 3 -1.800 -12.880 2.450 58 HD22 ASN 3 HD22 ASN 3 -3.358 -13.428 1.926 59 H HIS 4 HN HIS 4 1.911 -13.752 -1.604 60 HA HIS 4 HA HIS 4 3.823 -11.789 -0.800 61 HB2 HIS 4 HB2 HIS 4 4.107 -14.336 -2.408 62 HB3 HIS 4 HB1 HIS 4 5.467 -13.330 -1.933 63 HD1 HIS 4 HD1 HIS 4 6.565 -14.016 0.170 64 HD2 HIS 4 HD2 HIS 4 2.611 -15.281 0.009 65 HE1 HIS 4 HE1 HIS 4 6.215 -15.401 2.238 66 HE2 HIS 4 HE2 HIS 4 3.873 -16.304 2.018 67 H GLN 5 HN GLN 5 2.512 -12.922 -3.848 68 HA GLN 5 HA GLN 5 4.054 -11.491 -5.655 69 HB2 GLN 5 HB2 GLN 5 2.537 -13.213 -6.386 70 HB3 GLN 5 HB1 GLN 5 1.152 -12.324 -5.772 71 HG2 GLN 5 HG2 GLN 5 1.271 -12.179 -8.183 72 HG3 GLN 5 HG1 GLN 5 1.510 -10.594 -7.452 73 HE21 GLN 5 HE21 GLN 5 2.538 -9.804 -9.268 74 HE22 GLN 5 HE22 GLN 5 4.144 -10.269 -9.704 75 H VAL 6 HN VAL 6 0.944 -10.517 -4.188 76 HA VAL 6 HA VAL 6 0.965 -7.965 -5.433 77 HB VAL 6 HB VAL 6 -1.108 -9.068 -4.640 78 HG11 VAL 6 HG11 VAL 6 -0.318 -9.967 -2.530 79 HG12 VAL 6 HG12 VAL 6 -1.727 -8.938 -2.273 80 HG13 VAL 6 HG13 VAL 6 -0.114 -8.337 -1.890 81 HG21 VAL 6 HG21 VAL 6 -0.588 -6.334 -3.481 82 HG22 VAL 6 HG22 VAL 6 -2.180 -7.044 -3.743 83 HG23 VAL 6 HG23 VAL 6 -1.133 -6.695 -5.118 84 H MET 7 HN MET 7 2.408 -9.216 -2.539 85 HA MET 7 HA MET 7 2.655 -6.690 -1.220 86 HB2 MET 7 HB2 MET 7 2.584 -8.894 -0.028 87 HB3 MET 7 HB1 MET 7 4.208 -9.209 -0.631 88 HG2 MET 7 HG2 MET 7 4.285 -8.370 1.638 89 HG3 MET 7 HG1 MET 7 5.026 -7.220 0.525 90 HE1 MET 7 HE1 MET 7 4.446 -6.104 3.286 91 HE2 MET 7 HE2 MET 7 3.546 -4.629 2.930 92 HE3 MET 7 HE3 MET 7 4.915 -5.090 1.921 93 H ASP 8 HN ASP 8 4.858 -8.703 -3.181 94 HA ASP 8 HA ASP 8 7.010 -6.835 -2.787 95 HB2 ASP 8 HB2 ASP 8 8.343 -8.188 -4.171 96 HB3 ASP 8 HB1 ASP 8 7.295 -9.316 -3.327 97 H GLN 9 HN GLN 9 4.374 -7.177 -4.981 98 HA GLN 9 HA GLN 9 5.321 -5.436 -7.009 99 HB2 GLN 9 HB2 GLN 9 2.569 -6.326 -6.182 100 HB3 GLN 9 HB1 GLN 9 2.807 -5.155 -7.473 101 HG2 GLN 9 HG2 GLN 9 4.079 -7.876 -7.454 102 HG3 GLN 9 HG1 GLN 9 2.519 -7.535 -8.199 103 HE21 GLN 9 HE21 GLN 9 2.434 -6.368 -10.091 104 HE22 GLN 9 HE22 GLN 9 3.838 -6.018 -11.040 105 H VAL 10 HN VAL 10 3.299 -4.876 -4.121 106 HA VAL 10 HA VAL 10 3.051 -2.087 -4.586 107 HB VAL 10 HB VAL 10 1.451 -3.186 -3.131 108 HG11 VAL 10 HG11 VAL 10 2.842 -4.879 -2.121 109 HG12 VAL 10 HG12 VAL 10 2.062 -3.915 -0.866 110 HG13 VAL 10 HG13 VAL 10 3.761 -3.648 -1.256 111 HG21 VAL 10 HG21 VAL 10 1.772 -0.827 -2.758 112 HG22 VAL 10 HG22 VAL 10 3.128 -1.149 -1.677 113 HG23 VAL 10 HG23 VAL 10 1.497 -1.630 -1.210 114 H PHE 11 HN PHE 11 5.375 -4.043 -2.763 115 HA PHE 11 HA PHE 11 6.767 -1.908 -1.583 116 HB2 PHE 11 HB2 PHE 11 7.154 -4.201 -0.856 117 HB3 PHE 11 HB1 PHE 11 7.812 -4.617 -2.439 118 HD1 PHE 11 HD1 PHE 11 8.361 -2.077 0.249 119 HD2 PHE 11 HD2 PHE 11 10.087 -4.692 -2.630 120 HE1 PHE 11 HE1 PHE 11 10.608 -1.457 1.034 121 HE2 PHE 11 HE2 PHE 11 12.336 -4.071 -1.851 122 HZ PHE 11 HZ PHE 11 12.589 -2.344 -0.085 123 H ASP 12 HN ASP 12 7.248 -3.581 -4.668 124 HA ASP 12 HA ASP 12 9.443 -2.129 -5.589 125 HB2 ASP 12 HB2 ASP 12 8.758 -4.076 -6.791 126 HB3 ASP 12 HB1 ASP 12 7.148 -3.419 -7.065 127 H GLN 13 HN GLN 13 5.996 -1.410 -5.744 128 HA GLN 13 HA GLN 13 6.253 0.863 -7.412 129 HB2 GLN 13 HB2 GLN 13 4.148 -0.444 -7.076 130 HB3 GLN 13 HB1 GLN 13 4.020 0.265 -5.471 131 HG2 GLN 13 HG2 GLN 13 2.606 1.418 -7.090 132 HG3 GLN 13 HG1 GLN 13 3.849 2.483 -6.435 133 HE21 GLN 13 HE21 GLN 13 3.779 3.877 -8.186 134 HE22 GLN 13 HE22 GLN 13 4.414 3.453 -9.734 135 H VAL 14 HN VAL 14 5.927 0.509 -3.869 136 HA VAL 14 HA VAL 14 6.032 3.307 -3.407 137 HB VAL 14 HB VAL 14 6.446 2.797 -1.049 138 HG11 VAL 14 HG11 VAL 14 4.396 1.506 -0.616 139 HG12 VAL 14 HG12 VAL 14 4.334 1.068 -2.324 140 HG13 VAL 14 HG13 VAL 14 4.166 2.756 -1.839 141 HG21 VAL 14 HG21 VAL 14 6.687 -0.054 -1.976 142 HG22 VAL 14 HG22 VAL 14 6.517 0.442 -0.293 143 HG23 VAL 14 HG23 VAL 14 7.941 0.923 -1.216 144 H GLU 15 HN GLU 15 8.511 0.812 -3.644 145 HA GLU 15 HA GLU 15 10.721 2.252 -2.749 146 HB2 GLU 15 HB2 GLU 15 10.833 -0.123 -3.332 147 HB3 GLU 15 HB1 GLU 15 10.548 0.261 -5.023 148 HG2 GLU 15 HG2 GLU 15 12.676 1.541 -5.031 149 HG3 GLU 15 HG1 GLU 15 12.967 0.979 -3.385 150 H HIS 16 HN HIS 16 9.339 2.063 -6.009 151 HA HIS 16 HA HIS 16 11.097 3.955 -7.175 152 HB2 HIS 16 HB2 HIS 16 8.429 2.830 -7.985 153 HB3 HIS 16 HB1 HIS 16 9.203 4.098 -8.925 154 HD1 HIS 16 HD1 HIS 16 9.382 0.461 -8.163 155 HD2 HIS 16 HD2 HIS 16 11.521 3.299 -10.322 156 HE1 HIS 16 HE1 HIS 16 10.943 -0.846 -9.639 157 HE2 HIS 16 HE2 HIS 16 12.124 0.889 -11.035 158 H GLN 17 HN GLN 17 7.945 4.210 -5.626 159 HA GLN 17 HA GLN 17 7.415 6.864 -6.421 160 HB2 GLN 17 HB2 GLN 17 5.725 5.185 -5.658 161 HB3 GLN 17 HB1 GLN 17 6.334 5.391 -4.020 162 HG2 GLN 17 HG2 GLN 17 4.372 6.718 -4.291 163 HG3 GLN 17 HG1 GLN 17 5.775 7.773 -4.154 164 HE21 GLN 17 HE21 GLN 17 3.325 6.533 -6.266 165 HE22 GLN 17 HE22 GLN 17 3.554 7.675 -7.542 166 H ILE 18 HN ILE 18 8.663 5.480 -3.383 167 HA ILE 18 HA ILE 18 8.903 7.844 -1.930 168 HB ILE 18 HB ILE 18 10.582 5.337 -1.807 169 HG12 ILE 18 HG12 ILE 18 8.370 6.314 0.011 170 HG13 ILE 18 HG11 ILE 18 8.142 5.146 -1.287 171 HG21 ILE 18 HG21 ILE 18 11.864 7.175 -0.874 172 HG22 ILE 18 HG22 ILE 18 11.312 6.101 0.412 173 HG23 ILE 18 HG23 ILE 18 10.497 7.640 0.138 174 HD11 ILE 18 HD11 ILE 18 8.321 4.003 0.817 175 HD12 ILE 18 HD12 ILE 18 9.855 4.802 1.164 176 HD13 ILE 18 HD13 ILE 18 9.743 3.644 -0.162 177 H ALA 19 HN ALA 19 11.183 6.311 -4.162 178 HA ALA 19 HA ALA 19 13.357 8.023 -3.775 179 HB1 ALA 19 HB1 ALA 19 13.486 5.912 -5.012 180 HB2 ALA 19 HB2 ALA 19 14.142 7.256 -5.947 181 HB3 ALA 19 HB3 ALA 19 12.538 6.623 -6.318 182 H GLN 20 HN GLN 20 10.507 8.361 -5.814 183 HA GLN 20 HA GLN 20 11.507 10.701 -7.159 184 HB2 GLN 20 HB2 GLN 20 8.757 9.449 -7.120 185 HB3 GLN 20 HB1 GLN 20 9.245 10.775 -8.171 186 HG2 GLN 20 HG2 GLN 20 10.832 9.388 -9.296 187 HG3 GLN 20 HG1 GLN 20 10.572 8.077 -8.146 188 HE21 GLN 20 HE21 GLN 20 8.691 6.869 -8.262 189 HE22 GLN 20 HE22 GLN 20 7.678 6.870 -9.666 190 H VAL 21 HN VAL 21 9.342 10.030 -4.464 191 HA VAL 21 HA VAL 21 8.444 12.725 -4.166 192 HB VAL 21 HB VAL 21 8.472 10.459 -2.159 193 HG11 VAL 21 HG11 VAL 21 6.810 11.770 -0.921 194 HG12 VAL 21 HG12 VAL 21 7.006 13.098 -2.066 195 HG13 VAL 21 HG13 VAL 21 8.351 12.620 -1.031 196 HG21 VAL 21 HG21 VAL 21 6.097 10.242 -2.719 197 HG22 VAL 21 HG22 VAL 21 7.120 9.986 -4.133 198 HG23 VAL 21 HG23 VAL 21 6.266 11.516 -3.927 199 H LEU 22 HN LEU 22 10.915 10.765 -2.528 200 HA LEU 22 HA LEU 22 11.895 12.755 -0.827 201 HB2 LEU 22 HB2 LEU 22 12.361 10.257 -0.793 202 HB3 LEU 22 HB1 LEU 22 13.523 10.548 -2.074 203 HG LEU 22 HG LEU 22 14.807 12.018 -0.584 204 HD11 LEU 22 HD11 LEU 22 14.207 12.030 1.833 205 HD12 LEU 22 HD12 LEU 22 12.672 11.270 1.401 206 HD13 LEU 22 HD13 LEU 22 13.057 12.881 0.800 207 HD21 LEU 22 HD21 LEU 22 14.199 9.310 0.605 208 HD22 LEU 22 HD22 LEU 22 15.634 10.282 0.926 209 HD23 LEU 22 HD23 LEU 22 15.351 9.637 -0.690 210 H GLY 23 HN GLY 23 12.749 11.866 -4.139 211 HA2 GLY 23 HA2 GLY 23 14.932 13.600 -4.474 212 HA3 GLY 23 HA1 GLY 23 13.905 12.994 -5.766 213 H ALA 24 HN ALA 24 11.464 14.135 -4.917 214 HA ALA 24 HA ALA 24 11.708 16.759 -5.969 215 HB1 ALA 24 HB1 ALA 24 9.375 15.472 -4.554 216 HB2 ALA 24 HB2 ALA 24 9.694 15.426 -6.288 217 HB3 ALA 24 HB3 ALA 24 9.315 16.958 -5.503 218 H LYS 25 HN LYS 25 11.806 15.467 -2.759 219 HA LYS 25 HA LYS 25 11.389 18.018 -1.475 220 HB2 LYS 25 HB2 LYS 25 10.687 15.985 -0.323 221 HB3 LYS 25 HB1 LYS 25 12.330 15.359 -0.378 222 HG2 LYS 25 HG2 LYS 25 13.079 17.166 1.070 223 HG3 LYS 25 HG1 LYS 25 11.443 17.821 1.113 224 HD2 LYS 25 HD2 LYS 25 10.653 15.746 2.163 225 HD3 LYS 25 HD1 LYS 25 12.302 15.116 2.139 226 HE2 LYS 25 HE2 LYS 25 13.030 16.963 3.568 227 HE3 LYS 25 HE1 LYS 25 11.386 17.601 3.586 228 HZ1 LYS 25 HZ1 LYS 25 10.640 15.613 4.710 229 HZ2 LYS 25 HZ2 LYS 25 11.912 16.319 5.579 230 HZ3 LYS 25 HZ3 LYS 25 12.197 14.944 4.640 231 H GLY 26 HN GLY 26 14.050 16.045 -2.548 232 HA2 GLY 26 HA2 GLY 26 16.150 17.094 -3.100 233 HA3 GLY 26 HA1 GLY 26 15.893 18.206 -1.763 234 H GLY 27 HN GLY 27 15.059 14.972 -1.104 235 HA2 GLY 27 HA2 GLY 27 17.277 14.773 0.763 236 HA3 GLY 27 HA1 GLY 27 15.908 13.675 0.643 237 HA PRO 28 HA PRO 28 19.795 12.192 -1.810 238 HB2 PRO 28 HB2 PRO 28 21.185 10.861 0.111 239 HB3 PRO 28 HB1 PRO 28 21.509 12.544 -0.321 240 HG2 PRO 28 HG2 PRO 28 19.924 11.446 1.968 241 HG3 PRO 28 HG1 PRO 28 21.089 12.784 1.951 242 HD2 PRO 28 HD2 PRO 28 18.417 13.191 1.917 243 HD3 PRO 28 HD1 PRO 28 19.554 14.277 1.094 244 H LEU 29 HN LEU 29 19.787 10.138 -2.634 245 HA LEU 29 HA LEU 29 17.586 8.480 -1.792 246 HB2 LEU 29 HB2 LEU 29 18.079 8.935 -4.177 247 HB3 LEU 29 HB1 LEU 29 19.590 8.063 -4.009 248 HG LEU 29 HG LEU 29 18.326 6.002 -3.492 249 HD11 LEU 29 HD11 LEU 29 15.916 7.704 -4.114 250 HD12 LEU 29 HD12 LEU 29 16.324 7.005 -2.548 251 HD13 LEU 29 HD13 LEU 29 15.910 5.954 -3.902 252 HD21 LEU 29 HD21 LEU 29 17.518 7.351 -6.064 253 HD22 LEU 29 HD22 LEU 29 17.501 5.616 -5.749 254 HD23 LEU 29 HD23 LEU 29 19.032 6.491 -5.780 255 H VAL 30 HN VAL 30 17.826 7.101 -0.186 256 HA VAL 30 HA VAL 30 20.403 5.729 0.146 257 HB VAL 30 HB VAL 30 19.683 5.301 2.495 258 HG11 VAL 30 HG11 VAL 30 21.178 7.152 1.956 259 HG12 VAL 30 HG12 VAL 30 20.117 7.563 3.301 260 HG13 VAL 30 HG13 VAL 30 19.789 8.205 1.692 261 HG21 VAL 30 HG21 VAL 30 17.439 7.193 1.795 262 HG22 VAL 30 HG22 VAL 30 17.834 6.631 3.419 263 HG23 VAL 30 HG23 VAL 30 17.276 5.485 2.200 264 H ALA 31 HN ALA 31 19.944 3.568 1.488 265 HA ALA 31 HA ALA 31 18.573 1.894 -0.381 266 HB1 ALA 31 HB1 ALA 31 19.861 1.184 2.249 267 HB2 ALA 31 HB2 ALA 31 20.663 1.193 0.679 268 HB3 ALA 31 HB3 ALA 31 19.360 0.048 0.998 269 H VAL 32 HN VAL 32 16.403 2.019 -0.364 270 HA VAL 32 HA VAL 32 14.956 2.134 2.148 271 HB VAL 32 HB VAL 32 14.117 3.539 0.372 272 HG11 VAL 32 HG11 VAL 32 13.773 1.017 -1.241 273 HG12 VAL 32 HG12 VAL 32 14.917 2.320 -1.561 274 HG13 VAL 32 HG13 VAL 32 13.184 2.613 -1.702 275 HG21 VAL 32 HG21 VAL 32 12.278 1.207 0.889 276 HG22 VAL 32 HG22 VAL 32 11.775 2.778 0.266 277 HG23 VAL 32 HG23 VAL 32 12.456 2.650 1.888 278 H GLU 33 HN GLU 33 14.159 0.427 3.165 279 HA GLU 33 HA GLU 33 13.923 -2.109 1.687 280 HB2 GLU 33 HB2 GLU 33 14.642 -1.741 4.597 281 HB3 GLU 33 HB1 GLU 33 14.455 -3.279 3.773 282 HG2 GLU 33 HG2 GLU 33 16.364 -2.827 2.387 283 HG3 GLU 33 HG1 GLU 33 16.514 -1.206 3.070 284 H ILE 34 HN ILE 34 12.424 -3.675 2.973 285 HA ILE 34 HA ILE 34 9.891 -2.365 3.097 286 HB ILE 34 HB ILE 34 10.119 -4.630 2.186 287 HG12 ILE 34 HG12 ILE 34 8.198 -5.674 3.408 288 HG13 ILE 34 HG11 ILE 34 8.334 -4.400 4.612 289 HG21 ILE 34 HG21 ILE 34 10.701 -5.471 5.018 290 HG22 ILE 34 HG22 ILE 34 11.826 -5.510 3.660 291 HG23 ILE 34 HG23 ILE 34 10.409 -6.560 3.661 292 HD11 ILE 34 HD11 ILE 34 7.840 -2.729 2.925 293 HD12 ILE 34 HD12 ILE 34 6.570 -3.949 2.993 294 HD13 ILE 34 HD13 ILE 34 7.757 -3.984 1.690 295 H ASP 35 HN ASP 35 12.160 -3.596 5.489 296 HA ASP 35 HA ASP 35 10.294 -2.963 7.652 297 HB2 ASP 35 HB2 ASP 35 13.056 -4.196 7.781 298 HB3 ASP 35 HB1 ASP 35 11.963 -3.991 9.142 299 H SER 36 HN SER 36 11.847 -1.032 5.857 300 HA SER 36 HA SER 36 13.585 0.319 7.736 301 HB2 SER 36 HB2 SER 36 14.123 0.138 5.292 302 HB3 SER 36 HB1 SER 36 12.749 1.188 4.959 303 HG SER 36 HG SER 36 15.064 1.828 6.480 304 H ARG 37 HN ARG 37 13.227 2.375 8.575 305 HA ARG 37 HA ARG 37 10.410 3.117 8.808 306 HB2 ARG 37 HB2 ARG 37 12.837 4.037 10.361 307 HB3 ARG 37 HB1 ARG 37 11.181 4.521 10.692 308 HG2 ARG 37 HG2 ARG 37 10.603 2.195 11.192 309 HG3 ARG 37 HG1 ARG 37 12.274 1.721 10.877 310 HD2 ARG 37 HD2 ARG 37 13.027 3.161 12.701 311 HD3 ARG 37 HD1 ARG 37 11.361 3.650 13.006 312 HE ARG 37 HE ARG 37 11.679 0.817 13.119 313 HH11 ARG 37 HH11 ARG 37 12.160 3.763 14.949 314 HH12 ARG 37 HH12 ARG 37 12.039 2.971 16.489 315 HH21 ARG 37 HH21 ARG 37 11.516 -0.221 15.136 316 HH22 ARG 37 HH22 ARG 37 11.675 0.704 16.598 317 H PHE 38 HN PHE 38 9.599 4.928 7.986 318 HA PHE 38 HA PHE 38 10.867 6.188 5.839 319 HB2 PHE 38 HB2 PHE 38 8.454 7.033 7.443 320 HB3 PHE 38 HB1 PHE 38 8.954 7.799 5.942 321 HD1 PHE 38 HD1 PHE 38 7.099 5.136 7.429 322 HD2 PHE 38 HD2 PHE 38 9.037 6.372 3.850 323 HE1 PHE 38 HE1 PHE 38 5.769 3.512 6.147 324 HE2 PHE 38 HE2 PHE 38 7.711 4.751 2.565 325 HZ PHE 38 HZ PHE 38 6.071 3.321 3.711 326 H SER 39 HN SER 39 10.679 7.057 9.210 327 HA SER 39 HA SER 39 11.387 9.756 9.026 328 HB2 SER 39 HB2 SER 39 10.496 8.657 11.068 329 HB3 SER 39 HB1 SER 39 12.031 7.813 11.259 330 HG SER 39 HG SER 39 11.877 10.637 11.116 331 H ASP 40 HN ASP 40 13.342 6.839 8.967 332 HA ASP 40 HA ASP 40 15.848 8.106 9.396 333 HB2 ASP 40 HB2 ASP 40 15.587 5.726 9.799 334 HB3 ASP 40 HB1 ASP 40 15.171 5.453 8.112 335 H LEU 41 HN LEU 41 13.918 7.434 6.558 336 HA LEU 41 HA LEU 41 16.009 8.050 4.689 337 HB2 LEU 41 HB2 LEU 41 13.041 7.631 4.392 338 HB3 LEU 41 HB1 LEU 41 14.048 8.111 3.042 339 HG LEU 41 HG LEU 41 15.403 6.013 3.433 340 HD11 LEU 41 HD11 LEU 41 14.733 5.577 5.734 341 HD12 LEU 41 HD12 LEU 41 14.353 4.209 4.688 342 HD13 LEU 41 HD13 LEU 41 13.072 5.305 5.205 343 HD21 LEU 41 HD21 LEU 41 13.784 4.567 2.324 344 HD22 LEU 41 HD22 LEU 41 13.757 6.197 1.648 345 HD23 LEU 41 HD23 LEU 41 12.486 5.682 2.756 346 H GLY 42 HN GLY 42 14.223 9.939 6.720 347 HA2 GLY 42 HA2 GLY 42 14.384 12.278 6.853 348 HA3 GLY 42 HA1 GLY 42 14.843 12.321 5.158 349 H LEU 43 HN LEU 43 12.102 10.493 6.241 350 HA LEU 43 HA LEU 43 10.333 12.446 4.937 351 HB2 LEU 43 HB2 LEU 43 9.946 9.499 5.467 352 HB3 LEU 43 HB1 LEU 43 8.733 10.547 4.757 353 HG LEU 43 HG LEU 43 11.436 10.044 3.515 354 HD11 LEU 43 HD11 LEU 43 10.233 8.573 1.956 355 HD12 LEU 43 HD12 LEU 43 8.782 8.734 2.945 356 HD13 LEU 43 HD13 LEU 43 10.221 7.958 3.607 357 HD21 LEU 43 HD21 LEU 43 8.896 11.263 2.435 358 HD22 LEU 43 HD22 LEU 43 10.362 10.951 1.505 359 HD23 LEU 43 HD23 LEU 43 10.386 12.125 2.820 360 H SER 44 HN SER 44 9.153 13.653 6.251 361 HA SER 44 HA SER 44 8.750 12.755 9.007 362 HB2 SER 44 HB2 SER 44 8.069 15.101 9.425 363 HB3 SER 44 HB1 SER 44 9.681 14.994 8.720 364 HG SER 44 HG SER 44 8.731 15.476 6.676 365 H SER 45 HN SER 45 6.472 13.905 9.802 366 HA SER 45 HA SER 45 4.464 12.223 8.847 367 HB2 SER 45 HB2 SER 45 4.102 14.866 10.272 368 HB3 SER 45 HB1 SER 45 2.956 13.525 10.230 369 HG SER 45 HG SER 45 4.974 12.344 11.118 370 H LEU 46 HN LEU 46 5.221 15.585 8.060 371 HA LEU 46 HA LEU 46 3.015 16.087 6.381 372 HB2 LEU 46 HB2 LEU 46 4.499 17.840 7.283 373 HB3 LEU 46 HB1 LEU 46 5.795 17.260 6.256 374 HG LEU 46 HG LEU 46 4.333 17.802 4.270 375 HD11 LEU 46 HD11 LEU 46 2.711 19.204 6.387 376 HD12 LEU 46 HD12 LEU 46 2.185 17.858 5.377 377 HD13 LEU 46 HD13 LEU 46 2.528 19.427 4.649 378 HD21 LEU 46 HD21 LEU 46 4.847 20.181 4.340 379 HD22 LEU 46 HD22 LEU 46 6.187 19.228 4.975 380 HD23 LEU 46 HD23 LEU 46 5.112 20.084 6.080 381 H ASP 47 HN ASP 47 6.240 14.799 5.733 382 HA ASP 47 HA ASP 47 5.969 14.673 2.913 383 HB2 ASP 47 HB2 ASP 47 7.755 13.024 4.719 384 HB3 ASP 47 HB1 ASP 47 7.920 13.175 2.974 385 H LEU 48 HN LEU 48 5.368 12.383 5.528 386 HA LEU 48 HA LEU 48 4.649 10.204 3.886 387 HB2 LEU 48 HB2 LEU 48 4.035 10.904 6.742 388 HB3 LEU 48 HB1 LEU 48 3.382 9.460 5.991 389 HG LEU 48 HG LEU 48 6.319 10.087 6.303 390 HD11 LEU 48 HD11 LEU 48 5.236 9.575 8.432 391 HD12 LEU 48 HD12 LEU 48 6.314 8.273 7.932 392 HD13 LEU 48 HD13 LEU 48 4.569 8.096 7.740 393 HD21 LEU 48 HD21 LEU 48 4.870 7.691 5.189 394 HD22 LEU 48 HD22 LEU 48 6.589 7.723 5.581 395 HD23 LEU 48 HD23 LEU 48 5.953 8.780 4.322 396 H ALA 49 HN ALA 49 2.759 12.821 5.332 397 HA ALA 49 HA ALA 49 0.208 11.997 4.600 398 HB1 ALA 49 HB1 ALA 49 -0.409 14.368 4.670 399 HB2 ALA 49 HB2 ALA 49 1.296 14.814 4.653 400 HB3 ALA 49 HB3 ALA 49 0.627 13.934 6.029 401 H THR 50 HN THR 50 2.636 13.768 2.738 402 HA THR 50 HA THR 50 1.072 14.002 0.379 403 HB THR 50 HB THR 50 4.074 14.084 0.744 404 HG1 THR 50 HG1 THR 50 2.229 15.716 1.609 405 HG21 THR 50 HG21 THR 50 4.124 15.291 -1.381 406 HG22 THR 50 HG22 THR 50 2.382 15.086 -1.552 407 HG23 THR 50 HG23 THR 50 3.443 13.678 -1.601 408 H LEU 51 HN LEU 51 3.552 11.708 1.450 409 HA LEU 51 HA LEU 51 3.762 10.200 -0.888 410 HB2 LEU 51 HB2 LEU 51 5.310 10.056 1.024 411 HB3 LEU 51 HB1 LEU 51 4.061 9.269 1.967 412 HG LEU 51 HG LEU 51 4.082 7.379 0.354 413 HD11 LEU 51 HD11 LEU 51 6.453 8.837 -0.805 414 HD12 LEU 51 HD12 LEU 51 4.909 8.546 -1.607 415 HD13 LEU 51 HD13 LEU 51 5.963 7.191 -1.206 416 HD21 LEU 51 HD21 LEU 51 6.729 8.047 1.636 417 HD22 LEU 51 HD22 LEU 51 6.219 6.444 1.104 418 HD23 LEU 51 HD23 LEU 51 5.360 7.252 2.416 419 H ILE 52 HN ILE 52 1.698 9.634 1.963 420 HA ILE 52 HA ILE 52 0.480 7.291 0.988 421 HB ILE 52 HB ILE 52 -0.664 9.287 2.953 422 HG12 ILE 52 HG12 ILE 52 0.995 6.801 3.434 423 HG13 ILE 52 HG11 ILE 52 1.572 8.453 3.602 424 HG21 ILE 52 HG21 ILE 52 -1.987 7.410 3.777 425 HG22 ILE 52 HG22 ILE 52 -1.302 6.369 2.530 426 HG23 ILE 52 HG23 ILE 52 -2.334 7.726 2.077 427 HD11 ILE 52 HD11 ILE 52 -0.605 7.178 5.241 428 HD12 ILE 52 HD12 ILE 52 -0.003 8.826 5.419 429 HD13 ILE 52 HD13 ILE 52 1.058 7.458 5.758 430 H SER 53 HN SER 53 -0.504 10.698 0.793 431 HA SER 53 HA SER 53 -2.960 10.307 -0.505 432 HB2 SER 53 HB2 SER 53 -1.032 12.631 -0.731 433 HB3 SER 53 HB1 SER 53 -2.721 12.656 -1.234 434 HG SER 53 HG SER 53 -1.611 12.755 1.307 435 H ASN 54 HN ASN 54 0.320 10.513 -1.714 436 HA ASN 54 HA ASN 54 -0.418 10.600 -4.474 437 HB2 ASN 54 HB2 ASN 54 1.718 11.508 -3.479 438 HB3 ASN 54 HB1 ASN 54 2.260 9.845 -3.295 439 HD21 ASN 54 HD21 ASN 54 4.020 10.439 -4.640 440 HD22 ASN 54 HD22 ASN 54 3.831 10.474 -6.357 441 H LEU 55 HN LEU 55 0.396 8.075 -2.164 442 HA LEU 55 HA LEU 55 0.520 5.957 -4.061 443 HB2 LEU 55 HB2 LEU 55 0.457 6.198 -1.136 444 HB3 LEU 55 HB1 LEU 55 -0.294 4.741 -1.751 445 HG LEU 55 HG LEU 55 2.006 4.292 -1.183 446 HD11 LEU 55 HD11 LEU 55 1.073 3.118 -3.111 447 HD12 LEU 55 HD12 LEU 55 2.805 3.391 -3.296 448 HD13 LEU 55 HD13 LEU 55 1.657 4.396 -4.176 449 HD21 LEU 55 HD21 LEU 55 3.846 5.410 -2.396 450 HD22 LEU 55 HD22 LEU 55 2.941 6.499 -1.344 451 HD23 LEU 55 HD23 LEU 55 2.669 6.528 -3.085 452 H GLU 56 HN GLU 56 -2.073 7.409 -2.175 453 HA GLU 56 HA GLU 56 -4.148 5.663 -2.787 454 HB2 GLU 56 HB2 GLU 56 -4.476 7.483 -1.223 455 HB3 GLU 56 HB1 GLU 56 -4.198 8.672 -2.487 456 HG2 GLU 56 HG2 GLU 56 -6.230 7.868 -3.641 457 HG3 GLU 56 HG1 GLU 56 -6.525 6.772 -2.293 458 H ALA 57 HN ALA 57 -2.703 8.237 -4.701 459 HA ALA 57 HA ALA 57 -4.625 8.201 -6.792 460 HB1 ALA 57 HB1 ALA 57 -3.154 10.111 -6.374 461 HB2 ALA 57 HB2 ALA 57 -3.015 9.533 -8.035 462 HB3 ALA 57 HB3 ALA 57 -1.762 9.142 -6.856 463 H VAL 58 HN VAL 58 -2.147 6.041 -5.948 464 HA VAL 58 HA VAL 58 -1.634 5.105 -8.639 465 HB VAL 58 HB VAL 58 -0.743 3.943 -5.994 466 HG11 VAL 58 HG11 VAL 58 0.923 2.733 -7.324 467 HG12 VAL 58 HG12 VAL 58 0.210 3.378 -8.802 468 HG13 VAL 58 HG13 VAL 58 -0.722 2.284 -7.778 469 HG21 VAL 58 HG21 VAL 58 1.417 4.995 -6.496 470 HG22 VAL 58 HG22 VAL 58 0.129 6.189 -6.329 471 HG23 VAL 58 HG23 VAL 58 0.712 5.739 -7.932 472 H TYR 59 HN TYR 59 -3.334 3.955 -5.746 473 HA TYR 59 HA TYR 59 -4.224 1.597 -7.227 474 HB2 TYR 59 HB2 TYR 59 -4.230 2.323 -4.314 475 HB3 TYR 59 HB1 TYR 59 -5.217 0.997 -4.918 476 HD1 TYR 59 HD1 TYR 59 -4.231 -1.098 -5.523 477 HD2 TYR 59 HD2 TYR 59 -1.771 2.214 -4.477 478 HE1 TYR 59 HE1 TYR 59 -2.284 -2.594 -5.387 479 HE2 TYR 59 HE2 TYR 59 0.183 0.726 -4.338 480 HH TYR 59 HH TYR 59 0.199 -2.396 -5.577 481 H GLY 60 HN GLY 60 -5.453 4.581 -5.917 482 HA2 GLY 60 HA2 GLY 60 -7.507 5.587 -6.365 483 HA3 GLY 60 HA1 GLY 60 -8.041 4.104 -7.145 484 H THR 61 HN THR 61 -6.731 3.128 -4.374 485 HA THR 61 HA THR 61 -9.177 3.408 -2.780 486 HB THR 61 HB THR 61 -8.851 0.979 -2.122 487 HG1 THR 61 HG1 THR 61 -6.683 0.867 -3.013 488 HG21 THR 61 HG21 THR 61 -9.493 1.500 -5.030 489 HG22 THR 61 HG22 THR 61 -10.623 1.667 -3.686 490 HG23 THR 61 HG23 THR 61 -9.972 0.081 -4.098 491 H ASP 62 HN ASP 62 -8.698 4.099 -0.782 492 HA ASP 62 HA ASP 62 -6.189 3.320 0.479 493 HB2 ASP 62 HB2 ASP 62 -5.523 5.341 -0.629 494 HB3 ASP 62 HB1 ASP 62 -6.967 6.183 -0.077 495 HA PRO 63 HA PRO 63 -9.126 3.531 3.891 496 HB2 PRO 63 HB2 PRO 63 -7.373 1.940 5.463 497 HB3 PRO 63 HB1 PRO 63 -8.814 1.400 4.603 498 HG2 PRO 63 HG2 PRO 63 -6.196 0.659 4.003 499 HG3 PRO 63 HG1 PRO 63 -7.589 0.491 2.923 500 HD2 PRO 63 HD2 PRO 63 -5.467 2.593 2.972 501 HD3 PRO 63 HD1 PRO 63 -6.311 1.867 1.589 502 H PHE 64 HN PHE 64 -9.097 5.373 5.057 503 HA PHE 64 HA PHE 64 -6.480 6.456 5.801 504 HB2 PHE 64 HB2 PHE 64 -8.103 7.768 4.353 505 HB3 PHE 64 HB1 PHE 64 -9.108 7.939 5.788 506 HD1 PHE 64 HD1 PHE 64 -8.821 9.805 7.110 507 HD2 PHE 64 HD2 PHE 64 -5.599 8.470 4.669 508 HE1 PHE 64 HE1 PHE 64 -7.496 11.764 7.793 509 HE2 PHE 64 HE2 PHE 64 -4.268 10.425 5.347 510 HZ PHE 64 HZ PHE 64 -5.217 12.076 6.911 511 H ALA 65 HN ALA 65 -8.882 4.723 7.229 512 HA ALA 65 HA ALA 65 -9.440 6.054 9.621 513 HB1 ALA 65 HB1 ALA 65 -10.657 4.069 8.875 514 HB2 ALA 65 HB2 ALA 65 -10.048 3.868 10.517 515 HB3 ALA 65 HB3 ALA 65 -9.229 3.079 9.169 516 H ASP 66 HN ASP 66 -6.868 3.705 8.905 517 HA ASP 66 HA ASP 66 -5.689 4.058 11.518 518 HB2 ASP 66 HB2 ASP 66 -4.889 2.461 9.090 519 HB3 ASP 66 HB1 ASP 66 -3.851 2.591 10.505 520 H ALA 67 HN ALA 67 -5.558 5.679 8.578 521 HA ALA 67 HA ALA 67 -2.799 6.547 8.869 522 HB1 ALA 67 HB1 ALA 67 -3.676 6.001 6.636 523 HB2 ALA 67 HB2 ALA 67 -3.101 7.664 6.745 524 HB3 ALA 67 HB3 ALA 67 -4.830 7.325 6.783 525 H VAL 68 HN VAL 68 -5.657 7.432 10.239 526 HA VAL 68 HA VAL 68 -5.506 10.261 10.176 527 HB VAL 68 HB VAL 68 -6.692 8.442 12.287 528 HG11 VAL 68 HG11 VAL 68 -7.049 11.411 11.905 529 HG12 VAL 68 HG12 VAL 68 -6.177 10.637 13.226 530 HG13 VAL 68 HG13 VAL 68 -7.918 10.410 13.066 531 HG21 VAL 68 HG21 VAL 68 -8.836 9.053 11.241 532 HG22 VAL 68 HG22 VAL 68 -7.767 8.204 10.125 533 HG23 VAL 68 HG23 VAL 68 -7.959 9.953 10.004 534 H ALA 69 HN ALA 69 -4.284 7.844 12.461 535 HA ALA 69 HA ALA 69 -2.579 9.857 13.711 536 HB1 ALA 69 HB1 ALA 69 -1.990 8.085 15.293 537 HB2 ALA 69 HB2 ALA 69 -2.951 6.935 14.364 538 HB3 ALA 69 HB3 ALA 69 -3.739 8.284 15.182 539 H ILE 70 HN ILE 70 -0.722 10.278 12.705 540 HA ILE 70 HA ILE 70 0.316 8.640 10.646 541 HB ILE 70 HB ILE 70 0.599 11.138 10.829 542 HG12 ILE 70 HG12 ILE 70 2.915 11.141 9.902 543 HG13 ILE 70 HG11 ILE 70 3.083 9.463 10.406 544 HG21 ILE 70 HG21 ILE 70 1.261 11.258 13.168 545 HG22 ILE 70 HG22 ILE 70 2.481 11.998 12.133 546 HG23 ILE 70 HG23 ILE 70 2.752 10.390 12.802 547 HD11 ILE 70 HD11 ILE 70 1.287 8.817 8.904 548 HD12 ILE 70 HD12 ILE 70 2.563 9.662 8.031 549 HD13 ILE 70 HD13 ILE 70 1.064 10.500 8.430 550 H THR 71 HN THR 71 0.608 8.452 13.995 551 HA THR 71 HA THR 71 3.269 7.434 14.169 552 HB THR 71 HB THR 71 2.446 6.743 16.504 553 HG1 THR 71 HG1 THR 71 0.360 6.934 16.787 554 HG21 THR 71 HG21 THR 71 2.290 9.643 15.667 555 HG22 THR 71 HG22 THR 71 3.761 8.767 16.084 556 HG23 THR 71 HG23 THR 71 2.531 9.058 17.314 557 H SER 72 HN SER 72 0.457 6.080 12.978 558 HA SER 72 HA SER 72 0.867 3.397 13.947 559 HB2 SER 72 HB2 SER 72 -0.924 2.805 12.355 560 HB3 SER 72 HB1 SER 72 -1.386 4.186 13.351 561 HG SER 72 HG SER 72 -1.838 4.966 11.414 562 H ILE 73 HN ILE 73 1.823 5.316 11.213 563 HA ILE 73 HA ILE 73 2.850 3.003 9.768 564 HB ILE 73 HB ILE 73 2.962 5.930 8.999 565 HG12 ILE 73 HG12 ILE 73 0.639 5.142 9.169 566 HG13 ILE 73 HG11 ILE 73 1.086 5.430 7.492 567 HG21 ILE 73 HG21 ILE 73 3.408 5.067 6.738 568 HG22 ILE 73 HG22 ILE 73 3.461 3.428 7.389 569 HG23 ILE 73 HG23 ILE 73 4.666 4.615 7.889 570 HD11 ILE 73 HD11 ILE 73 -0.223 3.411 7.688 571 HD12 ILE 73 HD12 ILE 73 0.921 2.753 8.858 572 HD13 ILE 73 HD13 ILE 73 1.422 3.017 7.187 573 H VAL 74 HN VAL 74 4.528 2.331 11.080 574 HA VAL 74 HA VAL 74 6.617 4.238 11.779 575 HB VAL 74 HB VAL 74 6.432 1.287 12.419 576 HG11 VAL 74 HG11 VAL 74 8.139 1.763 14.105 577 HG12 VAL 74 HG12 VAL 74 8.213 3.438 13.560 578 HG13 VAL 74 HG13 VAL 74 8.718 2.137 12.482 579 HG21 VAL 74 HG21 VAL 74 5.700 3.692 14.085 580 HG22 VAL 74 HG22 VAL 74 5.761 2.029 14.669 581 HG23 VAL 74 HG23 VAL 74 4.589 2.487 13.433 582 H THR 75 HN THR 75 6.187 1.270 9.895 583 HA THR 75 HA THR 75 8.795 1.803 8.623 584 HB THR 75 HB THR 75 8.919 -0.661 8.196 585 HG1 THR 75 HG1 THR 75 6.498 -0.533 9.619 586 HG21 THR 75 HG21 THR 75 10.181 0.324 10.029 587 HG22 THR 75 HG22 THR 75 9.573 -1.265 10.493 588 HG23 THR 75 HG23 THR 75 8.779 0.192 11.091 589 H VAL 76 HN VAL 76 8.972 0.805 6.407 590 HA VAL 76 HA VAL 76 6.984 1.759 4.693 591 HB VAL 76 HB VAL 76 9.048 -0.384 4.136 592 HG11 VAL 76 HG11 VAL 76 7.443 1.297 2.213 593 HG12 VAL 76 HG12 VAL 76 7.261 -0.437 2.481 594 HG13 VAL 76 HG13 VAL 76 8.749 0.195 1.777 595 HG21 VAL 76 HG21 VAL 76 9.108 2.598 3.682 596 HG22 VAL 76 HG22 VAL 76 10.338 1.459 3.135 597 HG23 VAL 76 HG23 VAL 76 10.062 1.697 4.860 598 H ALA 77 HN ALA 77 7.538 -1.448 6.021 599 HA ALA 77 HA ALA 77 5.750 -2.983 4.610 600 HB1 ALA 77 HB1 ALA 77 5.717 -4.480 6.501 601 HB2 ALA 77 HB2 ALA 77 6.311 -3.201 7.559 602 HB3 ALA 77 HB3 ALA 77 7.343 -3.836 6.279 603 H ASP 78 HN ASP 78 5.064 -0.758 7.251 604 HA ASP 78 HA ASP 78 2.433 -1.672 7.767 605 HB2 ASP 78 HB2 ASP 78 3.671 1.035 8.310 606 HB3 ASP 78 HB1 ASP 78 2.141 0.470 8.974 607 H LEU 79 HN LEU 79 3.742 0.854 5.682 608 HA LEU 79 HA LEU 79 1.125 1.728 4.848 609 HB2 LEU 79 HB2 LEU 79 3.080 3.256 4.981 610 HB3 LEU 79 HB1 LEU 79 3.834 2.364 3.673 611 HG LEU 79 HG LEU 79 1.966 3.018 2.183 612 HD11 LEU 79 HD11 LEU 79 0.446 4.805 2.914 613 HD12 LEU 79 HD12 LEU 79 1.099 4.677 4.548 614 HD13 LEU 79 HD13 LEU 79 0.224 3.320 3.837 615 HD21 LEU 79 HD21 LEU 79 3.357 5.330 3.530 616 HD22 LEU 79 HD22 LEU 79 2.640 5.340 1.919 617 HD23 LEU 79 HD23 LEU 79 4.039 4.320 2.255 618 H ALA 80 HN ALA 80 3.743 -0.232 3.538 619 HA ALA 80 HA ALA 80 2.684 -0.576 0.953 620 HB1 ALA 80 HB1 ALA 80 5.023 -1.032 1.509 621 HB2 ALA 80 HB2 ALA 80 4.256 -2.422 0.739 622 HB3 ALA 80 HB3 ALA 80 4.520 -2.415 2.483 623 H ARG 81 HN ARG 81 2.289 -2.461 3.934 624 HA ARG 81 HA ARG 81 0.895 -4.612 2.750 625 HB2 ARG 81 HB2 ARG 81 1.923 -4.726 4.996 626 HB3 ARG 81 HB1 ARG 81 0.710 -3.603 5.595 627 HG2 ARG 81 HG2 ARG 81 0.104 -5.841 6.219 628 HG3 ARG 81 HG1 ARG 81 -1.045 -5.241 5.023 629 HD2 ARG 81 HD2 ARG 81 0.254 -6.439 3.269 630 HD3 ARG 81 HD1 ARG 81 1.256 -7.131 4.543 631 HE ARG 81 HE ARG 81 -1.621 -7.558 4.724 632 HH11 ARG 81 HH11 ARG 81 1.536 -8.850 3.922 633 HH12 ARG 81 HH12 ARG 81 1.003 -10.500 3.940 634 HH21 ARG 81 HH21 ARG 81 -2.327 -9.722 4.735 635 HH22 ARG 81 HH22 ARG 81 -1.201 -10.995 4.385 636 H ALA 82 HN ALA 82 -0.125 -1.477 3.920 637 HA ALA 82 HA ALA 82 -2.894 -1.945 4.014 638 HB1 ALA 82 HB1 ALA 82 -3.136 0.479 3.896 639 HB2 ALA 82 HB2 ALA 82 -1.450 0.632 3.403 640 HB3 ALA 82 HB3 ALA 82 -1.847 0.030 5.013 641 H TYR 83 HN TYR 83 -0.746 -0.961 1.393 642 HA TYR 83 HA TYR 83 -2.971 -0.784 -0.456 643 HB2 TYR 83 HB2 TYR 83 -0.012 -0.332 -0.811 644 HB3 TYR 83 HB1 TYR 83 -1.179 -0.216 -2.126 645 HD1 TYR 83 HD1 TYR 83 0.480 1.567 0.427 646 HD2 TYR 83 HD2 TYR 83 -3.202 1.389 -1.700 647 HE1 TYR 83 HE1 TYR 83 0.003 3.890 1.066 648 HE2 TYR 83 HE2 TYR 83 -3.686 3.716 -1.069 649 HH TYR 83 HH TYR 83 -3.008 5.288 0.816 650 H ALA 84 HN ALA 84 -0.833 -3.181 0.636 651 HA ALA 84 HA ALA 84 -1.021 -4.883 -1.669 652 HB1 ALA 84 HB1 ALA 84 -0.443 -5.604 1.208 653 HB2 ALA 84 HB2 ALA 84 0.764 -5.173 -0.003 654 HB3 ALA 84 HB3 ALA 84 -0.191 -6.643 -0.194 655 H GLN 85 HN GLN 85 -2.960 -4.114 1.069 656 HA GLN 85 HA GLN 85 -4.837 -6.269 0.736 657 HB2 GLN 85 HB2 GLN 85 -4.494 -5.218 2.923 658 HB3 GLN 85 HB1 GLN 85 -5.005 -3.666 2.276 659 HG2 GLN 85 HG2 GLN 85 -7.243 -4.578 1.883 660 HG3 GLN 85 HG1 GLN 85 -6.723 -6.121 2.559 661 HE21 GLN 85 HE21 GLN 85 -8.800 -4.221 3.425 662 HE22 GLN 85 HE22 GLN 85 -8.430 -3.861 5.074 663 H GLN 86 HN GLN 86 -4.248 -3.205 -0.642 664 HA GLN 86 HA GLN 86 -6.934 -2.910 -1.728 665 HB2 GLN 86 HB2 GLN 86 -4.490 -1.193 -2.198 666 HB3 GLN 86 HB1 GLN 86 -6.144 -0.800 -2.635 667 HG2 GLN 86 HG2 GLN 86 -5.029 -1.051 0.146 668 HG3 GLN 86 HG1 GLN 86 -5.490 0.435 -0.679 669 HE21 GLN 86 HE21 GLN 86 -6.600 -2.368 1.004 670 HE22 GLN 86 HE22 GLN 86 -8.246 -1.870 1.181 671 H GLY 87 HN GLY 87 -7.223 -2.621 -4.065 672 HA2 GLY 87 HA2 GLY 87 -6.778 -3.033 -6.297 673 HA3 GLY 87 HA1 GLY 87 -5.117 -3.405 -5.859 674 H VAL 88 HN VAL 88 -7.785 -4.988 -4.306 675 HA VAL 88 HA VAL 88 -6.837 -7.517 -5.415 676 HB VAL 88 HB VAL 88 -8.207 -8.569 -3.609 677 HG11 VAL 88 HG11 VAL 88 -6.153 -6.549 -2.718 678 HG12 VAL 88 HG12 VAL 88 -5.825 -8.177 -3.311 679 HG13 VAL 88 HG13 VAL 88 -6.687 -7.950 -1.789 680 HG21 VAL 88 HG21 VAL 88 -8.567 -5.722 -2.672 681 HG22 VAL 88 HG22 VAL 88 -9.026 -7.172 -1.778 682 HG23 VAL 88 HG23 VAL 88 -9.840 -6.774 -3.292 683 HA PRO 89 HA PRO 89 -10.442 -7.758 -8.082 684 HB2 PRO 89 HB2 PRO 89 -9.642 -10.601 -8.231 685 HB3 PRO 89 HB1 PRO 89 -9.861 -9.426 -9.532 686 HG2 PRO 89 HG2 PRO 89 -7.423 -10.252 -8.796 687 HG3 PRO 89 HG1 PRO 89 -7.723 -8.581 -9.309 688 HD2 PRO 89 HD2 PRO 89 -7.374 -9.684 -6.550 689 HD3 PRO 89 HD1 PRO 89 -6.779 -8.159 -7.241 690 H GLY 90 HN GLY 90 -12.357 -7.796 -7.085 691 HA2 GLY 90 HA2 GLY 90 -12.876 -9.774 -4.998 692 HA3 GLY 90 HA1 GLY 90 -13.845 -8.350 -5.346 693 HA PRO 91 HA PRO 91 -16.489 -11.631 -6.986 694 HB2 PRO 91 HB2 PRO 91 -18.397 -9.418 -7.309 695 HB3 PRO 91 HB1 PRO 91 -18.557 -10.906 -6.374 696 HG2 PRO 91 HG2 PRO 91 -18.249 -8.510 -5.192 697 HG3 PRO 91 HG1 PRO 91 -17.569 -9.995 -4.503 698 HD2 PRO 91 HD2 PRO 91 -16.207 -7.828 -6.054 699 HD3 PRO 91 HD1 PRO 91 -15.637 -8.726 -4.633 700 H SER 92 HN SER 92 -16.743 -12.261 -9.040 701 HA SER 92 HA SER 92 -15.793 -10.774 -11.225 702 HB2 SER 92 HB2 SER 92 -15.935 -13.249 -11.177 703 HB3 SER 92 HB1 SER 92 -17.693 -13.139 -11.224 704 HG SER 92 HG SER 92 -15.843 -12.338 -13.225 705 HA PRO 93 HA PRO 93 -19.236 -7.990 -11.500 706 HB2 PRO 93 HB2 PRO 93 -18.524 -6.799 -13.859 707 HB3 PRO 93 HB1 PRO 93 -17.808 -6.399 -12.294 708 HG2 PRO 93 HG2 PRO 93 -16.761 -8.171 -14.460 709 HG3 PRO 93 HG1 PRO 93 -15.892 -7.003 -13.448 710 HD2 PRO 93 HD2 PRO 93 -15.812 -9.661 -12.978 711 HD3 PRO 93 HD1 PRO 93 -15.747 -8.464 -11.668 712 H ASP 94 HN ASP 94 -18.370 -10.205 -14.074 713 HA ASP 94 HA ASP 94 -21.076 -10.827 -14.641 714 HB2 ASP 94 HB2 ASP 94 -20.904 -8.603 -15.766 715 HB3 ASP 94 HB1 ASP 94 -19.639 -9.262 -16.795 716 HA PRO 95 HA PRO 95 -18.647 -14.458 -15.655 717 HB2 PRO 95 HB2 PRO 95 -21.322 -15.391 -16.532 718 HB3 PRO 95 HB1 PRO 95 -20.169 -16.156 -15.434 719 HG2 PRO 95 HG2 PRO 95 -22.362 -14.977 -14.495 720 HG3 PRO 95 HG1 PRO 95 -20.819 -14.853 -13.631 721 HD2 PRO 95 HD2 PRO 95 -22.203 -12.831 -15.338 722 HD3 PRO 95 HD1 PRO 95 -21.276 -12.603 -13.844 723 H LEU 96 HN LEU 96 -21.078 -13.136 -17.846 724 HA LEU 96 HA LEU 96 -20.113 -14.487 -20.159 725 HB2 LEU 96 HB2 LEU 96 -22.395 -13.622 -20.047 726 HB3 LEU 96 HB1 LEU 96 -21.789 -11.986 -19.889 727 HG LEU 96 HG LEU 96 -20.738 -12.331 -22.198 728 HD11 LEU 96 HD11 LEU 96 -20.900 -14.704 -22.427 729 HD12 LEU 96 HD12 LEU 96 -21.976 -13.970 -23.612 730 HD13 LEU 96 HD13 LEU 96 -22.638 -14.666 -22.134 731 HD21 LEU 96 HD21 LEU 96 -23.737 -12.291 -21.937 732 HD22 LEU 96 HD22 LEU 96 -22.803 -11.713 -23.316 733 HD23 LEU 96 HD23 LEU 96 -22.668 -10.902 -21.756 734 H ASP 97 HN ASP 97 -19.623 -11.326 -18.745 735 HA ASP 97 HA ASP 97 -17.993 -10.149 -20.681 736 HB2 ASP 97 HB2 ASP 97 -18.942 -8.896 -18.827 737 HB3 ASP 97 HB1 ASP 97 -17.997 -9.830 -17.676 738 H ALA 98 HN ALA 98 -17.192 -12.320 -18.023 739 HA ALA 98 HA ALA 98 -14.377 -12.174 -18.336 740 HB1 ALA 98 HB1 ALA 98 -16.034 -14.391 -17.139 741 HB2 ALA 98 HB2 ALA 98 -15.448 -12.970 -16.276 742 HB3 ALA 98 HB3 ALA 98 -14.302 -14.147 -16.917 743 H GLN 99 HN GLN 99 -16.844 -14.390 -19.529 744 HA GLN 99 HA GLN 99 -15.152 -16.190 -20.865 745 HB2 GLN 99 HB2 GLN 99 -17.507 -16.670 -20.366 746 HB3 GLN 99 HB1 GLN 99 -18.008 -15.417 -21.491 747 HG2 GLN 99 HG2 GLN 99 -17.015 -16.678 -23.336 748 HG3 GLN 99 HG1 GLN 99 -16.525 -17.938 -22.205 749 HE21 GLN 99 HE21 GLN 99 -19.549 -16.226 -21.938 750 HE22 GLN 99 HE22 GLN 99 -20.565 -17.560 -22.353 751 H LEU 100 HN LEU 100 -17.000 -13.425 -22.122 752 HA LEU 100 HA LEU 100 -15.708 -13.641 -24.705 753 HB2 LEU 100 HB2 LEU 100 -17.657 -11.596 -23.642 754 HB3 LEU 100 HB1 LEU 100 -17.122 -11.716 -25.306 755 HG LEU 100 HG LEU 100 -18.765 -13.761 -23.814 756 HD11 LEU 100 HD11 LEU 100 -20.512 -13.145 -25.421 757 HD12 LEU 100 HD12 LEU 100 -19.461 -11.887 -26.069 758 HD13 LEU 100 HD13 LEU 100 -20.036 -11.785 -24.406 759 HD21 LEU 100 HD21 LEU 100 -17.271 -14.860 -25.377 760 HD22 LEU 100 HD22 LEU 100 -17.768 -13.756 -26.660 761 HD23 LEU 100 HD23 LEU 100 -18.926 -14.902 -25.985 762 H ARG 101 HN ARG 101 -13.599 -13.320 -23.450 763 HA ARG 101 HA ARG 101 -12.971 -10.853 -22.256 764 HB2 ARG 101 HB2 ARG 101 -10.616 -11.597 -22.433 765 HB3 ARG 101 HB1 ARG 101 -11.680 -12.823 -21.757 766 HG2 ARG 101 HG2 ARG 101 -11.777 -13.904 -23.976 767 HG3 ARG 101 HG1 ARG 101 -10.613 -12.719 -24.568 768 HD2 ARG 101 HD2 ARG 101 -8.976 -13.485 -22.948 769 HD3 ARG 101 HD1 ARG 101 -10.142 -14.629 -22.287 770 HE ARG 101 HE ARG 101 -9.065 -14.775 -25.029 771 HH11 ARG 101 HH11 ARG 101 -10.212 -16.314 -22.091 772 HH12 ARG 101 HH12 ARG 101 -9.953 -17.923 -22.685 773 HH21 ARG 101 HH21 ARG 101 -8.726 -16.886 -25.808 774 HH22 ARG 101 HH22 ARG 101 -9.085 -18.248 -24.796 775 H ASP 102 HN ASP 102 -12.882 -11.843 -25.618 776 HA ASP 102 HA ASP 102 -11.601 -9.271 -26.257 777 HB2 ASP 102 HB2 ASP 102 -10.976 -10.165 -28.411 778 HB3 ASP 102 HB1 ASP 102 -10.446 -11.276 -27.158 779 H LEU 103 HN LEU 103 -14.554 -10.295 -25.782 780 HA LEU 103 HA LEU 103 -15.664 -8.557 -27.858 781 HB2 LEU 103 HB2 LEU 103 -15.843 -10.921 -28.623 782 HB3 LEU 103 HB1 LEU 103 -16.803 -11.277 -27.204 783 HG LEU 103 HG LEU 103 -18.519 -9.673 -27.997 784 HD11 LEU 103 HD11 LEU 103 -16.773 -9.532 -30.451 785 HD12 LEU 103 HD12 LEU 103 -17.125 -8.213 -29.333 786 HD13 LEU 103 HD13 LEU 103 -18.413 -8.895 -30.326 787 HD21 LEU 103 HD21 LEU 103 -18.731 -12.053 -28.472 788 HD22 LEU 103 HD22 LEU 103 -17.792 -11.852 -29.950 789 HD23 LEU 103 HD23 LEU 103 -19.372 -11.087 -29.799 790 H ARG 104 HN ARG 104 -15.370 -7.464 -25.573 791 HA ARG 104 HA ARG 104 -17.703 -7.948 -23.872 792 HB2 ARG 104 HB2 ARG 104 -15.217 -6.277 -23.461 793 HB3 ARG 104 HB1 ARG 104 -16.552 -6.342 -22.319 794 HG2 ARG 104 HG2 ARG 104 -16.173 -8.645 -21.884 795 HG3 ARG 104 HG1 ARG 104 -15.011 -8.763 -23.204 796 HD2 ARG 104 HD2 ARG 104 -13.478 -7.309 -22.029 797 HD3 ARG 104 HD1 ARG 104 -14.659 -7.057 -20.745 798 HE ARG 104 HE ARG 104 -14.442 -9.631 -20.525 799 HH11 ARG 104 HH11 ARG 104 -11.836 -7.397 -21.255 800 HH12 ARG 104 HH12 ARG 104 -10.613 -8.396 -20.536 801 HH21 ARG 104 HH21 ARG 104 -12.830 -10.931 -19.571 802 HH22 ARG 104 HH22 ARG 104 -11.180 -10.397 -19.567 803 H GLN 105 HN GLN 105 -19.110 -7.075 -25.571 804 HA GLN 105 HA GLN 105 -19.160 -4.133 -25.510 805 HB2 GLN 105 HB2 GLN 105 -20.046 -5.928 -27.772 806 HB3 GLN 105 HB1 GLN 105 -20.201 -4.178 -27.743 807 HG2 GLN 105 HG2 GLN 105 -17.638 -5.753 -27.752 808 HG3 GLN 105 HG1 GLN 105 -18.313 -4.824 -29.089 809 HE21 GLN 105 HE21 GLN 105 -15.743 -4.582 -27.736 810 HE22 GLN 105 HE22 GLN 105 -15.658 -2.953 -27.163 811 H LEU 106 HN LEU 106 -21.241 -6.866 -26.290 812 HA LEU 106 HA LEU 106 -23.383 -7.389 -25.818 813 HB2 LEU 106 HB2 LEU 106 -22.524 -7.354 -23.503 814 HB3 LEU 106 HB1 LEU 106 -22.957 -5.660 -23.381 815 HG LEU 106 HG LEU 106 -25.340 -6.284 -23.725 816 HD11 LEU 106 HD11 LEU 106 -24.277 -9.096 -23.516 817 HD12 LEU 106 HD12 LEU 106 -25.033 -8.364 -24.931 818 HD13 LEU 106 HD13 LEU 106 -25.979 -8.638 -23.469 819 HD21 LEU 106 HD21 LEU 106 -25.662 -7.231 -21.493 820 HD22 LEU 106 HD22 LEU 106 -24.455 -5.947 -21.488 821 HD23 LEU 106 HD23 LEU 106 -23.947 -7.633 -21.421 Start of MODEL 4 1 H GLY -4 HT1 GLY -4 8.550 -17.519 -10.559 2 HA2 GLY -4 HA1 GLY -4 7.147 -17.406 -12.504 3 HA3 GLY -4 HA2 GLY -4 7.125 -19.162 -12.574 4 H ILE -3 HN ILE -3 5.089 -19.723 -12.093 5 HA ILE -3 HA ILE -3 3.592 -18.275 -10.079 6 HB ILE -3 HB ILE -3 2.661 -20.759 -11.511 7 HG12 ILE -3 HG12 ILE -3 2.347 -17.911 -12.484 8 HG13 ILE -3 HG11 ILE -3 3.524 -19.044 -13.138 9 HG21 ILE -3 HG21 ILE -3 1.206 -18.383 -10.348 10 HG22 ILE -3 HG22 ILE -3 1.298 -19.996 -9.639 11 HG23 ILE -3 HG23 ILE -3 0.449 -19.749 -11.165 12 HD11 ILE -3 HD11 ILE -3 1.722 -20.507 -13.867 13 HD12 ILE -3 HD12 ILE -3 1.541 -18.886 -14.538 14 HD13 ILE -3 HD13 ILE -3 0.536 -19.396 -13.182 15 H ASP -2 HN ASP -2 5.624 -19.208 -8.758 16 HA ASP -2 HA ASP -2 5.055 -21.808 -7.591 17 HB2 ASP -2 HB2 ASP -2 7.224 -19.820 -6.880 18 HB3 ASP -2 HB1 ASP -2 7.150 -21.508 -6.412 19 HA PRO -1 HA PRO -1 2.172 -19.826 -4.797 20 HB2 PRO -1 HB2 PRO -1 2.714 -22.370 -3.337 21 HB3 PRO -1 HB1 PRO -1 1.172 -21.591 -3.707 22 HG2 PRO -1 HG2 PRO -1 1.962 -23.670 -5.131 23 HG3 PRO -1 HG1 PRO -1 1.213 -22.277 -5.933 24 HD2 PRO -1 HD2 PRO -1 4.089 -23.080 -5.820 25 HD3 PRO -1 HD1 PRO -1 3.171 -22.352 -7.155 26 H PHE 0 HN PHE 0 5.173 -21.315 -3.606 27 HA PHE 0 HA PHE 0 5.013 -20.083 -1.041 28 HB2 PHE 0 HB2 PHE 0 6.313 -22.148 -1.461 29 HB3 PHE 0 HB1 PHE 0 7.438 -21.219 -2.445 30 HD1 PHE 0 HD1 PHE 0 6.000 -21.333 0.990 31 HD2 PHE 0 HD2 PHE 0 9.317 -20.309 -1.470 32 HE1 PHE 0 HE1 PHE 0 7.330 -20.828 2.998 33 HE2 PHE 0 HE2 PHE 0 10.651 -19.802 0.532 34 HZ PHE 0 HZ PHE 0 9.617 -19.997 2.779 35 H THR 1 HN THR 1 5.958 -18.965 -4.124 36 HA THR 1 HA THR 1 7.433 -16.724 -2.927 37 HB THR 1 HB THR 1 8.334 -16.264 -5.139 38 HG1 THR 1 HG1 THR 1 6.410 -18.159 -5.901 39 HG21 THR 1 HG21 THR 1 8.550 -19.197 -4.448 40 HG22 THR 1 HG22 THR 1 9.519 -17.898 -3.753 41 HG23 THR 1 HG23 THR 1 9.671 -18.291 -5.466 42 H LEU 2 HN LEU 2 4.428 -17.538 -4.278 43 HA LEU 2 HA LEU 2 3.830 -15.270 -5.811 44 HB2 LEU 2 HB2 LEU 2 1.990 -17.093 -4.272 45 HB3 LEU 2 HB1 LEU 2 1.438 -15.868 -5.397 46 HG LEU 2 HG LEU 2 3.077 -18.316 -6.053 47 HD11 LEU 2 HD11 LEU 2 0.291 -17.494 -6.861 48 HD12 LEU 2 HD12 LEU 2 0.692 -18.723 -5.664 49 HD13 LEU 2 HD13 LEU 2 1.129 -18.965 -7.355 50 HD21 LEU 2 HD21 LEU 2 2.815 -17.560 -8.408 51 HD22 LEU 2 HD22 LEU 2 3.867 -16.530 -7.441 52 HD23 LEU 2 HD23 LEU 2 2.218 -16.015 -7.802 53 H ASN 3 HN ASN 3 3.375 -15.885 -2.357 54 HA ASN 3 HA ASN 3 1.982 -13.504 -1.783 55 HB2 ASN 3 HB2 ASN 3 2.710 -13.850 0.563 56 HB3 ASN 3 HB1 ASN 3 2.032 -15.307 -0.153 57 HD21 ASN 3 HD21 ASN 3 4.022 -14.708 2.051 58 HD22 ASN 3 HD22 ASN 3 5.361 -15.748 1.698 59 H HIS 4 HN HIS 4 5.403 -14.277 -1.948 60 HA HIS 4 HA HIS 4 6.318 -11.756 -1.020 61 HB2 HIS 4 HB2 HIS 4 7.688 -13.849 -1.039 62 HB3 HIS 4 HB1 HIS 4 7.782 -13.724 -2.791 63 HD1 HIS 4 HD1 HIS 4 9.228 -12.372 0.341 64 HD2 HIS 4 HD2 HIS 4 9.418 -11.599 -3.733 65 HE1 HIS 4 HE1 HIS 4 11.221 -10.874 0.030 66 HE2 HIS 4 HE2 HIS 4 11.172 -10.250 -2.407 67 H GLN 5 HN GLN 5 5.499 -13.066 -4.182 68 HA GLN 5 HA GLN 5 6.502 -10.910 -5.717 69 HB2 GLN 5 HB2 GLN 5 4.279 -12.867 -6.325 70 HB3 GLN 5 HB1 GLN 5 4.974 -11.753 -7.495 71 HG2 GLN 5 HG2 GLN 5 7.164 -12.831 -7.186 72 HG3 GLN 5 HG1 GLN 5 6.422 -13.973 -6.068 73 HE21 GLN 5 HE21 GLN 5 6.938 -15.740 -7.335 74 HE22 GLN 5 HE22 GLN 5 6.145 -16.077 -8.836 75 H VAL 6 HN VAL 6 3.414 -11.495 -4.126 76 HA VAL 6 HA VAL 6 2.034 -9.244 -5.114 77 HB VAL 6 HB VAL 6 1.740 -10.599 -2.422 78 HG11 VAL 6 HG11 VAL 6 -0.513 -9.636 -2.395 79 HG12 VAL 6 HG12 VAL 6 -0.158 -8.773 -3.890 80 HG13 VAL 6 HG13 VAL 6 0.729 -8.385 -2.418 81 HG21 VAL 6 HG21 VAL 6 0.255 -11.045 -5.011 82 HG22 VAL 6 HG22 VAL 6 -0.120 -11.808 -3.464 83 HG23 VAL 6 HG23 VAL 6 1.411 -12.150 -4.268 84 H MET 7 HN MET 7 4.031 -9.713 -2.224 85 HA MET 7 HA MET 7 3.737 -7.048 -1.279 86 HB2 MET 7 HB2 MET 7 4.446 -9.178 0.012 87 HB3 MET 7 HB1 MET 7 6.059 -8.833 -0.600 88 HG2 MET 7 HG2 MET 7 5.791 -7.942 1.627 89 HG3 MET 7 HG1 MET 7 5.985 -6.632 0.461 90 HE1 MET 7 HE1 MET 7 4.917 -6.213 3.417 91 HE2 MET 7 HE2 MET 7 3.554 -5.123 3.162 92 HE3 MET 7 HE3 MET 7 5.056 -4.881 2.270 93 H ASP 8 HN ASP 8 6.077 -8.704 -3.308 94 HA ASP 8 HA ASP 8 8.019 -6.723 -3.568 95 HB2 ASP 8 HB2 ASP 8 8.359 -8.947 -4.480 96 HB3 ASP 8 HB1 ASP 8 7.016 -8.735 -5.596 97 H GLN 9 HN GLN 9 4.969 -7.180 -5.272 98 HA GLN 9 HA GLN 9 5.285 -5.201 -7.218 99 HB2 GLN 9 HB2 GLN 9 3.529 -6.927 -7.274 100 HB3 GLN 9 HB1 GLN 9 2.730 -6.149 -5.914 101 HG2 GLN 9 HG2 GLN 9 2.345 -4.160 -7.257 102 HG3 GLN 9 HG1 GLN 9 3.179 -4.908 -8.618 103 HE21 GLN 9 HE21 GLN 9 0.308 -4.876 -6.680 104 HE22 GLN 9 HE22 GLN 9 -0.655 -5.855 -7.731 105 H VAL 10 HN VAL 10 3.697 -4.995 -4.026 106 HA VAL 10 HA VAL 10 3.126 -2.215 -4.343 107 HB VAL 10 HB VAL 10 1.734 -3.621 -2.903 108 HG11 VAL 10 HG11 VAL 10 4.160 -3.784 -1.129 109 HG12 VAL 10 HG12 VAL 10 3.373 -5.114 -1.977 110 HG13 VAL 10 HG13 VAL 10 2.534 -4.286 -0.666 111 HG21 VAL 10 HG21 VAL 10 1.564 -2.099 -0.980 112 HG22 VAL 10 HG22 VAL 10 1.727 -1.235 -2.509 113 HG23 VAL 10 HG23 VAL 10 3.114 -1.384 -1.428 114 H PHE 11 HN PHE 11 5.760 -4.034 -2.872 115 HA PHE 11 HA PHE 11 6.929 -1.809 -1.538 116 HB2 PHE 11 HB2 PHE 11 7.429 -4.131 -0.897 117 HB3 PHE 11 HB1 PHE 11 8.216 -4.393 -2.450 118 HD1 PHE 11 HD1 PHE 11 8.378 -1.976 0.393 119 HD2 PHE 11 HD2 PHE 11 10.504 -4.291 -2.474 120 HE1 PHE 11 HE1 PHE 11 10.504 -1.201 1.350 121 HE2 PHE 11 HE2 PHE 11 12.637 -3.518 -1.520 122 HZ PHE 11 HZ PHE 11 12.639 -1.960 0.382 123 H ASP 12 HN ASP 12 7.382 -3.272 -4.721 124 HA ASP 12 HA ASP 12 9.490 -1.564 -5.548 125 HB2 ASP 12 HB2 ASP 12 9.009 -3.624 -6.756 126 HB3 ASP 12 HB1 ASP 12 7.401 -3.041 -7.167 127 H GLN 13 HN GLN 13 6.029 -1.271 -5.433 128 HA GLN 13 HA GLN 13 5.787 1.019 -7.087 129 HB2 GLN 13 HB2 GLN 13 3.898 -0.477 -6.556 130 HB3 GLN 13 HB1 GLN 13 3.969 0.040 -4.877 131 HG2 GLN 13 HG2 GLN 13 2.180 1.152 -6.087 132 HG3 GLN 13 HG1 GLN 13 3.388 2.302 -5.525 133 HE21 GLN 13 HE21 GLN 13 2.017 0.695 -8.276 134 HE22 GLN 13 HE22 GLN 13 2.687 1.744 -9.476 135 H VAL 14 HN VAL 14 5.879 0.626 -3.527 136 HA VAL 14 HA VAL 14 5.777 3.385 -2.978 137 HB VAL 14 HB VAL 14 6.603 2.879 -0.736 138 HG11 VAL 14 HG11 VAL 14 4.614 0.854 -1.743 139 HG12 VAL 14 HG12 VAL 14 4.259 2.500 -1.216 140 HG13 VAL 14 HG13 VAL 14 4.851 1.311 -0.056 141 HG21 VAL 14 HG21 VAL 14 8.316 1.258 -1.209 142 HG22 VAL 14 HG22 VAL 14 7.116 0.114 -1.809 143 HG23 VAL 14 HG23 VAL 14 7.139 0.552 -0.100 144 H GLU 15 HN GLU 15 8.510 1.220 -3.575 145 HA GLU 15 HA GLU 15 10.633 2.969 -3.144 146 HB2 GLU 15 HB2 GLU 15 11.063 0.667 -3.643 147 HB3 GLU 15 HB1 GLU 15 10.225 0.778 -5.182 148 HG2 GLU 15 HG2 GLU 15 12.484 0.727 -5.732 149 HG3 GLU 15 HG1 GLU 15 12.034 2.422 -5.871 150 H HIS 16 HN HIS 16 8.718 2.448 -6.078 151 HA HIS 16 HA HIS 16 9.975 4.328 -7.721 152 HB2 HIS 16 HB2 HIS 16 8.425 2.563 -8.517 153 HB3 HIS 16 HB1 HIS 16 7.084 3.426 -7.779 154 HD1 HIS 16 HD1 HIS 16 9.488 3.611 -10.661 155 HD2 HIS 16 HD2 HIS 16 6.094 5.563 -9.254 156 HE1 HIS 16 HE1 HIS 16 8.747 5.112 -12.530 157 HE2 HIS 16 HE2 HIS 16 6.634 6.203 -11.703 158 H GLN 17 HN GLN 17 7.365 4.659 -5.388 159 HA GLN 17 HA GLN 17 6.711 7.345 -6.124 160 HB2 GLN 17 HB2 GLN 17 6.070 5.835 -3.585 161 HB3 GLN 17 HB1 GLN 17 5.329 7.345 -4.097 162 HG2 GLN 17 HG2 GLN 17 5.145 4.715 -5.546 163 HG3 GLN 17 HG1 GLN 17 3.889 5.430 -4.537 164 HE21 GLN 17 HE21 GLN 17 3.960 4.685 -7.401 165 HE22 GLN 17 HE22 GLN 17 3.493 6.122 -8.250 166 H ILE 18 HN ILE 18 8.662 5.870 -3.551 167 HA ILE 18 HA ILE 18 9.292 8.220 -2.153 168 HB ILE 18 HB ILE 18 10.903 5.679 -2.461 169 HG12 ILE 18 HG12 ILE 18 9.140 6.654 -0.202 170 HG13 ILE 18 HG11 ILE 18 8.673 5.448 -1.396 171 HG21 ILE 18 HG21 ILE 18 12.136 6.401 -0.463 172 HG22 ILE 18 HG22 ILE 18 11.285 7.945 -0.503 173 HG23 ILE 18 HG23 ILE 18 12.377 7.506 -1.817 174 HD11 ILE 18 HD11 ILE 18 9.330 4.406 0.691 175 HD12 ILE 18 HD12 ILE 18 10.909 5.186 0.602 176 HD13 ILE 18 HD13 ILE 18 10.453 3.977 -0.598 177 H ALA 19 HN ALA 19 10.928 6.623 -4.862 178 HA ALA 19 HA ALA 19 13.114 8.341 -5.113 179 HB1 ALA 19 HB1 ALA 19 13.267 7.557 -7.414 180 HB2 ALA 19 HB2 ALA 19 11.628 6.915 -7.317 181 HB3 ALA 19 HB3 ALA 19 12.907 6.221 -6.322 182 H GLN 20 HN GLN 20 9.856 8.577 -6.461 183 HA GLN 20 HA GLN 20 10.284 10.921 -7.977 184 HB2 GLN 20 HB2 GLN 20 7.777 9.721 -6.808 185 HB3 GLN 20 HB1 GLN 20 7.773 11.131 -7.853 186 HG2 GLN 20 HG2 GLN 20 8.744 9.821 -9.654 187 HG3 GLN 20 HG1 GLN 20 8.805 8.404 -8.605 188 HE21 GLN 20 HE21 GLN 20 7.399 8.811 -11.141 189 HE22 GLN 20 HE22 GLN 20 5.728 8.505 -10.811 190 H VAL 21 HN VAL 21 8.842 10.434 -4.757 191 HA VAL 21 HA VAL 21 8.281 13.120 -4.225 192 HB VAL 21 HB VAL 21 8.897 10.891 -2.277 193 HG11 VAL 21 HG11 VAL 21 7.745 12.272 -0.602 194 HG12 VAL 21 HG12 VAL 21 7.634 13.587 -1.773 195 HG13 VAL 21 HG13 VAL 21 9.213 13.051 -1.198 196 HG21 VAL 21 HG21 VAL 21 6.971 10.447 -3.700 197 HG22 VAL 21 HG22 VAL 21 6.280 12.014 -3.276 198 HG23 VAL 21 HG23 VAL 21 6.459 10.766 -2.043 199 H LEU 22 HN LEU 22 11.131 11.195 -3.217 200 HA LEU 22 HA LEU 22 12.426 13.363 -1.958 201 HB2 LEU 22 HB2 LEU 22 13.459 10.757 -3.043 202 HB3 LEU 22 HB1 LEU 22 14.518 11.931 -2.285 203 HG LEU 22 HG LEU 22 12.175 10.551 -0.966 204 HD11 LEU 22 HD11 LEU 22 14.070 9.070 -1.322 205 HD12 LEU 22 HD12 LEU 22 13.890 9.458 0.389 206 HD13 LEU 22 HD13 LEU 22 15.146 10.244 -0.568 207 HD21 LEU 22 HD21 LEU 22 14.161 12.552 0.105 208 HD22 LEU 22 HD22 LEU 22 13.053 11.606 1.098 209 HD23 LEU 22 HD23 LEU 22 12.419 12.771 -0.063 210 H GLY 23 HN GLY 23 12.402 12.243 -5.275 211 HA2 GLY 23 HA2 GLY 23 14.573 13.776 -6.218 212 HA3 GLY 23 HA1 GLY 23 13.236 13.185 -7.195 213 H ALA 24 HN ALA 24 11.089 14.485 -6.148 214 HA ALA 24 HA ALA 24 11.449 17.111 -7.243 215 HB1 ALA 24 HB1 ALA 24 9.053 17.384 -6.809 216 HB2 ALA 24 HB2 ALA 24 9.049 15.870 -5.903 217 HB3 ALA 24 HB3 ALA 24 9.396 15.863 -7.632 218 H LYS 25 HN LYS 25 11.442 15.725 -4.083 219 HA LYS 25 HA LYS 25 11.021 18.160 -2.640 220 HB2 LYS 25 HB2 LYS 25 10.505 15.994 -1.634 221 HB3 LYS 25 HB1 LYS 25 12.182 15.499 -1.791 222 HG2 LYS 25 HG2 LYS 25 12.809 17.331 -0.244 223 HG3 LYS 25 HG1 LYS 25 11.091 17.657 -0.006 224 HD2 LYS 25 HD2 LYS 25 10.770 15.381 0.823 225 HD3 LYS 25 HD1 LYS 25 12.485 15.045 0.575 226 HE2 LYS 25 HE2 LYS 25 12.106 15.538 2.901 227 HE3 LYS 25 HE1 LYS 25 13.027 16.852 2.174 228 HZ1 LYS 25 HZ1 LYS 25 10.109 16.855 2.742 229 HZ2 LYS 25 HZ2 LYS 25 10.950 18.109 1.974 230 HZ3 LYS 25 HZ3 LYS 25 11.298 17.723 3.582 231 H GLY 26 HN GLY 26 13.745 16.465 -3.974 232 HA2 GLY 26 HA2 GLY 26 15.860 17.394 -4.393 233 HA3 GLY 26 HA1 GLY 26 15.498 18.682 -3.250 234 H GLY 27 HN GLY 27 14.766 15.507 -2.236 235 HA2 GLY 27 HA2 GLY 27 16.908 15.703 -0.246 236 HA3 GLY 27 HA1 GLY 27 15.464 14.710 -0.113 237 HA PRO 28 HA PRO 28 19.335 12.465 -2.015 238 HB2 PRO 28 HB2 PRO 28 19.850 11.533 0.744 239 HB3 PRO 28 HB1 PRO 28 20.988 12.094 -0.485 240 HG2 PRO 28 HG2 PRO 28 20.392 13.596 1.645 241 HG3 PRO 28 HG1 PRO 28 20.677 14.320 0.053 242 HD2 PRO 28 HD2 PRO 28 18.094 13.794 1.466 243 HD3 PRO 28 HD1 PRO 28 18.584 15.197 0.494 244 H LEU 29 HN LEU 29 18.657 10.627 -2.883 245 HA LEU 29 HA LEU 29 16.695 8.981 -1.499 246 HB2 LEU 29 HB2 LEU 29 16.300 9.504 -3.847 247 HB3 LEU 29 HB1 LEU 29 17.849 8.814 -4.286 248 HG LEU 29 HG LEU 29 17.030 6.589 -3.534 249 HD11 LEU 29 HD11 LEU 29 14.399 8.030 -3.244 250 HD12 LEU 29 HD12 LEU 29 15.343 7.302 -1.945 251 HD13 LEU 29 HD13 LEU 29 14.623 6.281 -3.189 252 HD21 LEU 29 HD21 LEU 29 16.941 7.205 -5.880 253 HD22 LEU 29 HD22 LEU 29 15.367 7.963 -5.639 254 HD23 LEU 29 HD23 LEU 29 15.545 6.219 -5.447 255 H VAL 30 HN VAL 30 17.404 7.465 -0.171 256 HA VAL 30 HA VAL 30 19.910 6.076 -0.808 257 HB VAL 30 HB VAL 30 20.000 5.430 1.584 258 HG11 VAL 30 HG11 VAL 30 19.829 8.402 1.094 259 HG12 VAL 30 HG12 VAL 30 21.234 7.380 0.798 260 HG13 VAL 30 HG13 VAL 30 20.655 7.627 2.445 261 HG21 VAL 30 HG21 VAL 30 17.639 7.290 1.858 262 HG22 VAL 30 HG22 VAL 30 18.552 6.591 3.196 263 HG23 VAL 30 HG23 VAL 30 17.632 5.545 2.114 264 H ALA 31 HN ALA 31 19.903 3.762 0.165 265 HA ALA 31 HA ALA 31 17.877 2.304 -1.179 266 HB1 ALA 31 HB1 ALA 31 18.964 0.318 -0.266 267 HB2 ALA 31 HB2 ALA 31 19.922 1.333 0.812 268 HB3 ALA 31 HB3 ALA 31 20.147 1.444 -0.934 269 H VAL 32 HN VAL 32 15.940 1.703 -0.494 270 HA VAL 32 HA VAL 32 15.332 1.993 2.364 271 HB VAL 32 HB VAL 32 13.996 3.414 0.871 272 HG11 VAL 32 HG11 VAL 32 14.006 2.066 -1.137 273 HG12 VAL 32 HG12 VAL 32 12.347 2.419 -0.654 274 HG13 VAL 32 HG13 VAL 32 13.037 0.827 -0.340 275 HG21 VAL 32 HG21 VAL 32 12.418 1.198 2.169 276 HG22 VAL 32 HG22 VAL 32 11.764 2.758 1.670 277 HG23 VAL 32 HG23 VAL 32 12.984 2.679 2.940 278 H GLU 33 HN GLU 33 14.511 0.319 3.526 279 HA GLU 33 HA GLU 33 14.177 -2.245 2.119 280 HB2 GLU 33 HB2 GLU 33 14.864 -1.709 5.015 281 HB3 GLU 33 HB1 GLU 33 14.581 -3.301 4.329 282 HG2 GLU 33 HG2 GLU 33 16.494 -2.981 2.830 283 HG3 GLU 33 HG1 GLU 33 16.792 -1.408 3.571 284 H ILE 34 HN ILE 34 12.578 -3.726 3.397 285 HA ILE 34 HA ILE 34 10.085 -2.357 3.323 286 HB ILE 34 HB ILE 34 10.295 -4.693 2.609 287 HG12 ILE 34 HG12 ILE 34 8.278 -5.576 3.774 288 HG13 ILE 34 HG11 ILE 34 8.406 -4.252 4.926 289 HG21 ILE 34 HG21 ILE 34 10.712 -5.305 5.528 290 HG22 ILE 34 HG22 ILE 34 11.904 -5.479 4.239 291 HG23 ILE 34 HG23 ILE 34 10.464 -6.497 4.252 292 HD11 ILE 34 HD11 ILE 34 6.737 -3.790 3.229 293 HD12 ILE 34 HD12 ILE 34 7.951 -3.978 1.966 294 HD13 ILE 34 HD13 ILE 34 8.075 -2.650 3.118 295 H ASP 35 HN ASP 35 12.247 -3.323 5.903 296 HA ASP 35 HA ASP 35 10.271 -2.617 7.931 297 HB2 ASP 35 HB2 ASP 35 11.713 -4.639 8.207 298 HB3 ASP 35 HB1 ASP 35 13.114 -3.582 8.315 299 H SER 36 HN SER 36 12.155 -0.865 6.011 300 HA SER 36 HA SER 36 13.514 0.842 7.822 301 HB2 SER 36 HB2 SER 36 12.593 1.284 4.976 302 HB3 SER 36 HB1 SER 36 13.588 2.430 5.875 303 HG SER 36 HG SER 36 14.799 0.153 6.164 304 H ARG 37 HN ARG 37 12.865 2.603 8.890 305 HA ARG 37 HA ARG 37 10.022 3.250 8.892 306 HB2 ARG 37 HB2 ARG 37 12.319 4.203 10.616 307 HB3 ARG 37 HB1 ARG 37 10.655 4.735 10.809 308 HG2 ARG 37 HG2 ARG 37 9.971 2.449 11.304 309 HG3 ARG 37 HG1 ARG 37 11.637 1.904 11.093 310 HD2 ARG 37 HD2 ARG 37 12.357 3.237 12.964 311 HD3 ARG 37 HD1 ARG 37 10.751 3.944 13.125 312 HE ARG 37 HE ARG 37 10.577 1.135 13.330 313 HH11 ARG 37 HH11 ARG 37 11.757 3.903 15.110 314 HH12 ARG 37 HH12 ARG 37 11.469 3.190 16.663 315 HH21 ARG 37 HH21 ARG 37 10.195 0.190 15.369 316 HH22 ARG 37 HH22 ARG 37 10.586 1.070 16.812 317 H PHE 38 HN PHE 38 9.194 5.033 8.007 318 HA PHE 38 HA PHE 38 10.591 6.298 5.951 319 HB2 PHE 38 HB2 PHE 38 8.010 7.037 7.321 320 HB3 PHE 38 HB1 PHE 38 8.621 7.865 5.891 321 HD1 PHE 38 HD1 PHE 38 6.793 5.065 7.135 322 HD2 PHE 38 HD2 PHE 38 9.000 6.491 3.788 323 HE1 PHE 38 HE1 PHE 38 5.742 3.351 5.717 324 HE2 PHE 38 HE2 PHE 38 7.953 4.780 2.365 325 HZ PHE 38 HZ PHE 38 6.298 3.251 3.293 326 H SER 39 HN SER 39 9.881 7.417 9.238 327 HA SER 39 HA SER 39 10.933 10.014 8.902 328 HB2 SER 39 HB2 SER 39 10.827 8.354 11.430 329 HB3 SER 39 HB1 SER 39 10.990 10.107 11.340 330 HG SER 39 HG SER 39 8.897 9.754 9.982 331 H ASP 40 HN ASP 40 12.372 6.960 9.881 332 HA ASP 40 HA ASP 40 14.961 7.985 10.461 333 HB2 ASP 40 HB2 ASP 40 14.194 5.863 11.393 334 HB3 ASP 40 HB1 ASP 40 14.024 5.187 9.778 335 H LEU 41 HN LEU 41 13.331 6.901 7.589 336 HA LEU 41 HA LEU 41 15.626 6.685 5.919 337 HB2 LEU 41 HB2 LEU 41 13.398 5.591 5.576 338 HB3 LEU 41 HB1 LEU 41 12.746 7.162 5.163 339 HG LEU 41 HG LEU 41 14.367 7.252 3.254 340 HD11 LEU 41 HD11 LEU 41 14.806 4.362 4.005 341 HD12 LEU 41 HD12 LEU 41 16.008 5.653 4.079 342 HD13 LEU 41 HD13 LEU 41 15.363 5.134 2.521 343 HD21 LEU 41 HD21 LEU 41 12.413 4.961 3.326 344 HD22 LEU 41 HD22 LEU 41 13.058 5.718 1.867 345 HD23 LEU 41 HD23 LEU 41 12.032 6.643 2.964 346 H GLY 42 HN GLY 42 13.739 9.320 7.087 347 HA2 GLY 42 HA2 GLY 42 14.854 11.508 6.898 348 HA3 GLY 42 HA1 GLY 42 15.150 11.120 5.212 349 H LEU 43 HN LEU 43 12.112 10.049 6.118 350 HA LEU 43 HA LEU 43 10.866 12.419 4.903 351 HB2 LEU 43 HB2 LEU 43 9.910 9.564 5.168 352 HB3 LEU 43 HB1 LEU 43 8.879 10.868 4.622 353 HG LEU 43 HG LEU 43 9.606 9.653 2.708 354 HD11 LEU 43 HD11 LEU 43 9.489 12.051 2.417 355 HD12 LEU 43 HD12 LEU 43 10.766 11.362 1.417 356 HD13 LEU 43 HD13 LEU 43 11.174 12.213 2.907 357 HD21 LEU 43 HD21 LEU 43 12.436 10.084 3.647 358 HD22 LEU 43 HD22 LEU 43 11.953 9.339 2.123 359 HD23 LEU 43 HD23 LEU 43 11.559 8.555 3.653 360 H SER 44 HN SER 44 9.759 13.757 6.202 361 HA SER 44 HA SER 44 9.196 12.999 8.926 362 HB2 SER 44 HB2 SER 44 9.920 15.307 8.305 363 HB3 SER 44 HB1 SER 44 8.406 15.517 7.431 364 HG SER 44 HG SER 44 8.824 15.232 10.213 365 H SER 45 HN SER 45 6.852 13.636 9.730 366 HA SER 45 HA SER 45 5.078 11.777 8.657 367 HB2 SER 45 HB2 SER 45 3.344 13.005 10.024 368 HB3 SER 45 HB1 SER 45 4.784 12.514 10.916 369 HG SER 45 HG SER 45 3.978 14.758 11.192 370 H LEU 46 HN LEU 46 5.359 15.248 8.096 371 HA LEU 46 HA LEU 46 3.105 15.598 6.466 372 HB2 LEU 46 HB2 LEU 46 5.731 17.055 6.195 373 HB3 LEU 46 HB1 LEU 46 4.149 17.629 5.709 374 HG LEU 46 HG LEU 46 5.098 17.209 8.539 375 HD11 LEU 46 HD11 LEU 46 4.917 19.643 8.686 376 HD12 LEU 46 HD12 LEU 46 4.479 19.712 6.981 377 HD13 LEU 46 HD13 LEU 46 6.081 19.152 7.457 378 HD21 LEU 46 HD21 LEU 46 2.967 18.232 9.191 379 HD22 LEU 46 HD22 LEU 46 2.732 16.697 8.355 380 HD23 LEU 46 HD23 LEU 46 2.452 18.216 7.505 381 H ASP 47 HN ASP 47 6.438 14.718 5.689 382 HA ASP 47 HA ASP 47 6.118 14.694 2.874 383 HB2 ASP 47 HB2 ASP 47 8.116 13.164 4.558 384 HB3 ASP 47 HB1 ASP 47 8.230 13.453 2.827 385 H LEU 48 HN LEU 48 5.948 12.218 5.376 386 HA LEU 48 HA LEU 48 5.495 10.016 3.695 387 HB2 LEU 48 HB2 LEU 48 6.139 9.768 6.030 388 HB3 LEU 48 HB1 LEU 48 4.632 10.497 6.549 389 HG LEU 48 HG LEU 48 3.380 8.594 5.686 390 HD11 LEU 48 HD11 LEU 48 4.536 6.610 4.853 391 HD12 LEU 48 HD12 LEU 48 6.069 7.480 4.913 392 HD13 LEU 48 HD13 LEU 48 4.799 8.004 3.807 393 HD21 LEU 48 HD21 LEU 48 4.190 6.897 7.256 394 HD22 LEU 48 HD22 LEU 48 4.171 8.506 7.979 395 HD23 LEU 48 HD23 LEU 48 5.695 7.797 7.443 396 H ALA 49 HN ALA 49 3.266 12.292 5.246 397 HA ALA 49 HA ALA 49 0.861 11.099 4.454 398 HB1 ALA 49 HB1 ALA 49 1.471 14.029 4.837 399 HB2 ALA 49 HB2 ALA 49 0.962 12.898 6.091 400 HB3 ALA 49 HB3 ALA 49 -0.139 13.312 4.778 401 H THR 50 HN THR 50 2.960 13.395 2.776 402 HA THR 50 HA THR 50 1.352 13.678 0.473 403 HB THR 50 HB THR 50 4.363 13.938 0.707 404 HG1 THR 50 HG1 THR 50 2.211 15.716 1.230 405 HG21 THR 50 HG21 THR 50 3.622 13.796 -1.616 406 HG22 THR 50 HG22 THR 50 4.160 15.431 -1.237 407 HG23 THR 50 HG23 THR 50 2.437 15.070 -1.329 408 H LEU 51 HN LEU 51 3.975 11.471 1.330 409 HA LEU 51 HA LEU 51 4.183 10.117 -1.113 410 HB2 LEU 51 HB2 LEU 51 5.840 9.926 0.666 411 HB3 LEU 51 HB1 LEU 51 4.671 9.125 1.696 412 HG LEU 51 HG LEU 51 4.603 7.228 0.093 413 HD11 LEU 51 HD11 LEU 51 6.870 8.696 -1.243 414 HD12 LEU 51 HD12 LEU 51 5.264 8.430 -1.919 415 HD13 LEU 51 HD13 LEU 51 6.331 7.059 -1.618 416 HD21 LEU 51 HD21 LEU 51 7.330 7.943 1.159 417 HD22 LEU 51 HD22 LEU 51 6.803 6.329 0.680 418 HD23 LEU 51 HD23 LEU 51 6.040 7.137 2.051 419 H ILE 52 HN ILE 52 2.214 9.389 1.757 420 HA ILE 52 HA ILE 52 1.114 6.988 0.779 421 HB ILE 52 HB ILE 52 -0.027 8.894 2.827 422 HG12 ILE 52 HG12 ILE 52 1.667 6.401 3.104 423 HG13 ILE 52 HG11 ILE 52 2.174 8.050 3.452 424 HG21 ILE 52 HG21 ILE 52 -1.360 6.989 3.594 425 HG22 ILE 52 HG22 ILE 52 -0.734 6.015 2.264 426 HG23 ILE 52 HG23 ILE 52 -1.747 7.416 1.928 427 HD11 ILE 52 HD11 ILE 52 1.686 6.811 5.486 428 HD12 ILE 52 HD12 ILE 52 0.041 6.521 4.922 429 HD13 ILE 52 HD13 ILE 52 0.573 8.163 5.279 430 H SER 53 HN SER 53 -0.093 10.332 0.644 431 HA SER 53 HA SER 53 -2.555 9.658 -0.577 432 HB2 SER 53 HB2 SER 53 -2.545 12.142 -1.208 433 HB3 SER 53 HB1 SER 53 -2.486 11.748 0.510 434 HG SER 53 HG SER 53 -0.441 12.399 0.619 435 H ASN 54 HN ASN 54 0.592 10.625 -1.886 436 HA ASN 54 HA ASN 54 -0.153 10.681 -4.601 437 HB2 ASN 54 HB2 ASN 54 2.469 10.189 -3.207 438 HB3 ASN 54 HB1 ASN 54 2.339 10.098 -4.960 439 HD21 ASN 54 HD21 ASN 54 3.766 11.841 -5.167 440 HD22 ASN 54 HD22 ASN 54 3.271 13.470 -4.845 441 H LEU 55 HN LEU 55 0.899 8.064 -2.496 442 HA LEU 55 HA LEU 55 0.934 6.045 -4.498 443 HB2 LEU 55 HB2 LEU 55 2.113 5.838 -2.351 444 HB3 LEU 55 HB1 LEU 55 0.577 5.824 -1.505 445 HG LEU 55 HG LEU 55 0.002 3.699 -2.655 446 HD11 LEU 55 HD11 LEU 55 2.848 3.838 -3.640 447 HD12 LEU 55 HD12 LEU 55 1.400 3.979 -4.636 448 HD13 LEU 55 HD13 LEU 55 1.757 2.463 -3.810 449 HD21 LEU 55 HD21 LEU 55 0.945 3.650 -0.425 450 HD22 LEU 55 HD22 LEU 55 2.577 3.711 -1.089 451 HD23 LEU 55 HD23 LEU 55 1.564 2.298 -1.373 452 H GLU 56 HN GLU 56 -1.501 7.275 -2.279 453 HA GLU 56 HA GLU 56 -3.524 5.394 -2.719 454 HB2 GLU 56 HB2 GLU 56 -3.607 7.101 -0.946 455 HB3 GLU 56 HB1 GLU 56 -3.788 8.357 -2.163 456 HG2 GLU 56 HG2 GLU 56 -5.901 7.213 -2.882 457 HG3 GLU 56 HG1 GLU 56 -5.740 6.186 -1.458 458 H ALA 57 HN ALA 57 -2.720 8.387 -4.417 459 HA ALA 57 HA ALA 57 -4.848 8.379 -6.248 460 HB1 ALA 57 HB1 ALA 57 -3.429 10.333 -5.826 461 HB2 ALA 57 HB2 ALA 57 -3.515 9.947 -7.545 462 HB3 ALA 57 HB3 ALA 57 -2.079 9.518 -6.616 463 H VAL 58 HN VAL 58 -1.962 6.494 -6.117 464 HA VAL 58 HA VAL 58 -1.881 5.755 -8.872 465 HB VAL 58 HB VAL 58 -0.706 4.393 -6.440 466 HG11 VAL 58 HG11 VAL 58 0.733 3.194 -8.045 467 HG12 VAL 58 HG12 VAL 58 -0.213 3.873 -9.370 468 HG13 VAL 58 HG13 VAL 58 -0.971 2.774 -8.219 469 HG21 VAL 58 HG21 VAL 58 0.552 6.181 -8.517 470 HG22 VAL 58 HG22 VAL 58 1.400 5.384 -7.193 471 HG23 VAL 58 HG23 VAL 58 0.192 6.622 -6.848 472 H TYR 59 HN TYR 59 -3.159 4.203 -5.938 473 HA TYR 59 HA TYR 59 -4.185 1.980 -7.487 474 HB2 TYR 59 HB2 TYR 59 -4.326 2.620 -4.541 475 HB3 TYR 59 HB1 TYR 59 -5.042 1.184 -5.263 476 HD1 TYR 59 HD1 TYR 59 -3.304 -0.158 -6.829 477 HD2 TYR 59 HD2 TYR 59 -2.264 2.375 -3.575 478 HE1 TYR 59 HE1 TYR 59 -1.156 -1.331 -6.614 479 HE2 TYR 59 HE2 TYR 59 -0.115 1.210 -3.346 480 HH TYR 59 HH TYR 59 0.869 -0.967 -3.894 481 H GLY 60 HN GLY 60 -5.496 4.685 -5.625 482 HA2 GLY 60 HA2 GLY 60 -7.553 5.719 -5.772 483 HA3 GLY 60 HA1 GLY 60 -7.927 4.689 -7.147 484 H THR 61 HN THR 61 -6.881 3.047 -4.355 485 HA THR 61 HA THR 61 -9.649 2.370 -3.652 486 HB THR 61 HB THR 61 -8.652 -0.009 -3.263 487 HG1 THR 61 HG1 THR 61 -6.556 0.079 -3.772 488 HG21 THR 61 HG21 THR 61 -9.241 -0.659 -5.549 489 HG22 THR 61 HG22 THR 61 -9.164 1.030 -6.051 490 HG23 THR 61 HG23 THR 61 -10.395 0.506 -4.901 491 H ASP 62 HN ASP 62 -9.759 1.121 -1.591 492 HA ASP 62 HA ASP 62 -9.397 0.782 0.605 493 HB2 ASP 62 HB2 ASP 62 -7.076 0.111 -0.106 494 HB3 ASP 62 HB1 ASP 62 -6.562 1.757 0.265 495 HA PRO 63 HA PRO 63 -10.323 4.949 1.864 496 HB2 PRO 63 HB2 PRO 63 -11.854 4.292 3.969 497 HB3 PRO 63 HB1 PRO 63 -12.421 4.094 2.308 498 HG2 PRO 63 HG2 PRO 63 -11.354 2.045 4.202 499 HG3 PRO 63 HG1 PRO 63 -12.704 1.922 3.062 500 HD2 PRO 63 HD2 PRO 63 -10.177 0.935 2.592 501 HD3 PRO 63 HD1 PRO 63 -11.332 1.374 1.321 502 H PHE 64 HN PHE 64 -9.155 6.287 3.080 503 HA PHE 64 HA PHE 64 -7.641 5.156 5.330 504 HB2 PHE 64 HB2 PHE 64 -6.901 7.039 3.180 505 HB3 PHE 64 HB1 PHE 64 -6.289 7.432 4.783 506 HD1 PHE 64 HD1 PHE 64 -4.480 6.248 5.716 507 HD2 PHE 64 HD2 PHE 64 -6.381 4.801 2.194 508 HE1 PHE 64 HE1 PHE 64 -2.668 4.611 5.411 509 HE2 PHE 64 HE2 PHE 64 -4.576 3.161 1.885 510 HZ PHE 64 HZ PHE 64 -2.711 3.061 3.547 511 H ALA 65 HN ALA 65 -10.370 6.707 5.016 512 HA ALA 65 HA ALA 65 -10.105 9.085 6.495 513 HB1 ALA 65 HB1 ALA 65 -12.120 8.514 5.229 514 HB2 ALA 65 HB2 ALA 65 -12.496 8.914 6.904 515 HB3 ALA 65 HB3 ALA 65 -12.475 7.231 6.382 516 H ASP 66 HN ASP 66 -10.878 5.779 7.568 517 HA ASP 66 HA ASP 66 -10.796 6.544 10.353 518 HB2 ASP 66 HB2 ASP 66 -11.384 4.297 10.844 519 HB3 ASP 66 HB1 ASP 66 -12.253 4.714 9.374 520 H ALA 67 HN ALA 67 -8.562 5.803 8.022 521 HA ALA 67 HA ALA 67 -6.525 4.999 9.993 522 HB1 ALA 67 HB1 ALA 67 -5.235 4.115 8.150 523 HB2 ALA 67 HB2 ALA 67 -6.413 4.727 6.991 524 HB3 ALA 67 HB3 ALA 67 -6.863 3.440 8.108 525 H VAL 68 HN VAL 68 -7.493 7.708 9.605 526 HA VAL 68 HA VAL 68 -5.755 9.166 7.895 527 HB VAL 68 HB VAL 68 -8.048 9.897 8.611 528 HG11 VAL 68 HG11 VAL 68 -6.633 10.613 11.171 529 HG12 VAL 68 HG12 VAL 68 -7.918 9.422 10.974 530 HG13 VAL 68 HG13 VAL 68 -8.256 11.133 10.724 531 HG21 VAL 68 HG21 VAL 68 -6.551 11.439 7.489 532 HG22 VAL 68 HG22 VAL 68 -5.806 11.869 9.029 533 HG23 VAL 68 HG23 VAL 68 -7.491 12.285 8.718 534 H ALA 69 HN ALA 69 -5.320 7.878 11.022 535 HA ALA 69 HA ALA 69 -3.510 9.786 12.078 536 HB1 ALA 69 HB1 ALA 69 -2.865 8.043 13.651 537 HB2 ALA 69 HB2 ALA 69 -3.699 6.835 12.672 538 HB3 ALA 69 HB3 ALA 69 -4.620 8.108 13.474 539 H ILE 70 HN ILE 70 -1.791 10.382 10.949 540 HA ILE 70 HA ILE 70 -0.512 8.737 9.031 541 HB ILE 70 HB ILE 70 -0.601 11.153 8.777 542 HG12 ILE 70 HG12 ILE 70 1.806 11.587 8.247 543 HG13 ILE 70 HG11 ILE 70 2.208 10.071 9.049 544 HG21 ILE 70 HG21 ILE 70 1.231 11.279 11.164 545 HG22 ILE 70 HG22 ILE 70 -0.448 11.815 11.104 546 HG23 ILE 70 HG23 ILE 70 0.777 12.643 10.143 547 HD11 ILE 70 HD11 ILE 70 2.101 9.855 6.615 548 HD12 ILE 70 HD12 ILE 70 0.405 10.339 6.656 549 HD13 ILE 70 HD13 ILE 70 0.913 8.837 7.427 550 H THR 71 HN THR 71 0.097 9.400 12.401 551 HA THR 71 HA THR 71 2.825 8.539 12.354 552 HB THR 71 HB THR 71 2.498 8.594 14.902 553 HG1 THR 71 HG1 THR 71 0.500 8.878 15.531 554 HG21 THR 71 HG21 THR 71 1.995 11.087 13.267 555 HG22 THR 71 HG22 THR 71 3.575 10.392 13.628 556 HG23 THR 71 HG23 THR 71 2.582 11.048 14.928 557 H SER 72 HN SER 72 -0.001 6.817 12.151 558 HA SER 72 HA SER 72 0.691 4.574 13.789 559 HB2 SER 72 HB2 SER 72 -1.228 4.711 11.451 560 HB3 SER 72 HB1 SER 72 -1.160 3.443 12.674 561 HG SER 72 HG SER 72 -2.793 5.034 13.068 562 H ILE 73 HN ILE 73 1.497 5.660 10.613 563 HA ILE 73 HA ILE 73 2.400 3.082 9.677 564 HB ILE 73 HB ILE 73 2.897 5.827 8.507 565 HG12 ILE 73 HG12 ILE 73 0.502 5.301 8.611 566 HG13 ILE 73 HG11 ILE 73 1.076 5.294 6.949 567 HG21 ILE 73 HG21 ILE 73 3.198 3.092 7.272 568 HG22 ILE 73 HG22 ILE 73 4.514 4.164 7.751 569 HG23 ILE 73 HG23 ILE 73 3.427 4.631 6.443 570 HD11 ILE 73 HD11 ILE 73 1.170 2.843 7.014 571 HD12 ILE 73 HD12 ILE 73 -0.450 3.465 7.323 572 HD13 ILE 73 HD13 ILE 73 0.539 2.877 8.660 573 H VAL 74 HN VAL 74 4.024 2.308 10.917 574 HA VAL 74 HA VAL 74 6.135 4.045 11.863 575 HB VAL 74 HB VAL 74 5.969 1.043 12.140 576 HG11 VAL 74 HG11 VAL 74 7.430 3.141 13.740 577 HG12 VAL 74 HG12 VAL 74 8.157 1.986 12.624 578 HG13 VAL 74 HG13 VAL 74 7.388 1.417 14.105 579 HG21 VAL 74 HG21 VAL 74 3.923 2.047 13.012 580 HG22 VAL 74 HG22 VAL 74 4.878 3.156 13.996 581 HG23 VAL 74 HG23 VAL 74 4.930 1.425 14.319 582 H THR 75 HN THR 75 6.063 1.008 9.987 583 HA THR 75 HA THR 75 8.599 1.844 8.742 584 HB THR 75 HB THR 75 8.998 -0.544 8.272 585 HG1 THR 75 HG1 THR 75 6.467 -0.800 9.539 586 HG21 THR 75 HG21 THR 75 9.435 -1.264 10.582 587 HG22 THR 75 HG22 THR 75 8.418 0.050 11.175 588 HG23 THR 75 HG23 THR 75 9.916 0.412 10.315 589 H VAL 76 HN VAL 76 8.872 0.738 6.487 590 HA VAL 76 HA VAL 76 6.909 1.683 4.728 591 HB VAL 76 HB VAL 76 8.966 -0.480 4.221 592 HG11 VAL 76 HG11 VAL 76 7.417 1.227 2.274 593 HG12 VAL 76 HG12 VAL 76 7.208 -0.504 2.535 594 HG13 VAL 76 HG13 VAL 76 8.715 0.108 1.855 595 HG21 VAL 76 HG21 VAL 76 10.005 1.587 4.959 596 HG22 VAL 76 HG22 VAL 76 9.084 2.500 3.764 597 HG23 VAL 76 HG23 VAL 76 10.303 1.339 3.238 598 H ALA 77 HN ALA 77 7.395 -1.440 6.226 599 HA ALA 77 HA ALA 77 5.593 -2.997 4.801 600 HB1 ALA 77 HB1 ALA 77 7.197 -3.862 6.455 601 HB2 ALA 77 HB2 ALA 77 5.562 -4.463 6.721 602 HB3 ALA 77 HB3 ALA 77 6.208 -3.180 7.745 603 H ASP 78 HN ASP 78 5.013 -0.732 7.443 604 HA ASP 78 HA ASP 78 2.358 -1.517 8.005 605 HB2 ASP 78 HB2 ASP 78 3.763 1.128 8.418 606 HB3 ASP 78 HB1 ASP 78 2.152 0.769 9.029 607 H LEU 79 HN LEU 79 3.739 0.702 5.681 608 HA LEU 79 HA LEU 79 1.183 1.715 4.822 609 HB2 LEU 79 HB2 LEU 79 3.178 3.119 4.722 610 HB3 LEU 79 HB1 LEU 79 3.943 1.980 3.630 611 HG LEU 79 HG LEU 79 2.235 2.475 1.924 612 HD11 LEU 79 HD11 LEU 79 1.250 4.444 3.976 613 HD12 LEU 79 HD12 LEU 79 0.366 3.080 3.287 614 HD13 LEU 79 HD13 LEU 79 0.787 4.463 2.276 615 HD21 LEU 79 HD21 LEU 79 3.667 4.889 3.022 616 HD22 LEU 79 HD22 LEU 79 2.993 4.749 1.399 617 HD23 LEU 79 HD23 LEU 79 4.325 3.703 1.894 618 H ALA 80 HN ALA 80 3.677 -0.405 3.464 619 HA ALA 80 HA ALA 80 2.403 -0.862 1.000 620 HB1 ALA 80 HB1 ALA 80 4.001 -2.667 0.706 621 HB2 ALA 80 HB2 ALA 80 4.399 -2.616 2.424 622 HB3 ALA 80 HB3 ALA 80 4.790 -1.244 1.386 623 H ARG 81 HN ARG 81 2.379 -2.736 4.014 624 HA ARG 81 HA ARG 81 0.996 -4.975 3.021 625 HB2 ARG 81 HB2 ARG 81 2.261 -4.866 5.167 626 HB3 ARG 81 HB1 ARG 81 0.967 -3.891 5.840 627 HG2 ARG 81 HG2 ARG 81 0.745 -6.160 6.587 628 HG3 ARG 81 HG1 ARG 81 -0.589 -5.768 5.502 629 HD2 ARG 81 HD2 ARG 81 1.862 -7.021 4.363 630 HD3 ARG 81 HD1 ARG 81 0.749 -8.031 5.283 631 HE ARG 81 HE ARG 81 -0.798 -6.640 3.467 632 HH11 ARG 81 HH11 ARG 81 1.897 -8.859 3.312 633 HH12 ARG 81 HH12 ARG 81 1.367 -9.610 1.845 634 HH21 ARG 81 HH21 ARG 81 -1.521 -7.646 1.529 635 HH22 ARG 81 HH22 ARG 81 -0.593 -8.935 0.841 636 H ALA 82 HN ALA 82 -0.100 -1.873 4.187 637 HA ALA 82 HA ALA 82 -2.807 -2.525 4.632 638 HB1 ALA 82 HB1 ALA 82 -1.610 0.139 3.877 639 HB2 ALA 82 HB2 ALA 82 -1.762 -0.493 5.515 640 HB3 ALA 82 HB3 ALA 82 -3.208 -0.123 4.576 641 H TYR 83 HN TYR 83 -1.278 -0.877 1.847 642 HA TYR 83 HA TYR 83 -3.633 -0.900 0.276 643 HB2 TYR 83 HB2 TYR 83 -0.729 -0.488 -0.390 644 HB3 TYR 83 HB1 TYR 83 -1.958 -0.524 -1.649 645 HD1 TYR 83 HD1 TYR 83 -0.369 1.455 0.904 646 HD2 TYR 83 HD2 TYR 83 -3.814 1.184 -1.577 647 HE1 TYR 83 HE1 TYR 83 -0.818 3.842 1.274 648 HE2 TYR 83 HE2 TYR 83 -4.273 3.572 -1.211 649 HH TYR 83 HH TYR 83 -2.009 5.698 0.113 650 H ALA 84 HN ALA 84 -1.037 -3.204 0.696 651 HA ALA 84 HA ALA 84 -1.644 -4.779 -1.600 652 HB1 ALA 84 HB1 ALA 84 -0.122 -6.418 -0.648 653 HB2 ALA 84 HB2 ALA 84 -0.123 -5.546 0.885 654 HB3 ALA 84 HB3 ALA 84 0.566 -4.797 -0.556 655 H GLN 85 HN GLN 85 -3.059 -4.522 1.514 656 HA GLN 85 HA GLN 85 -4.251 -7.144 1.537 657 HB2 GLN 85 HB2 GLN 85 -4.533 -4.672 3.191 658 HB3 GLN 85 HB1 GLN 85 -5.780 -5.904 3.283 659 HG2 GLN 85 HG2 GLN 85 -4.142 -7.546 3.983 660 HG3 GLN 85 HG1 GLN 85 -2.854 -6.350 3.825 661 HE21 GLN 85 HE21 GLN 85 -2.336 -6.626 6.022 662 HE22 GLN 85 HE22 GLN 85 -3.296 -5.900 7.262 663 H GLN 86 HN GLN 86 -4.844 -4.315 -0.173 664 HA GLN 86 HA GLN 86 -7.724 -4.674 -0.286 665 HB2 GLN 86 HB2 GLN 86 -6.700 -2.406 -0.179 666 HB3 GLN 86 HB1 GLN 86 -5.986 -2.693 -1.758 667 HG2 GLN 86 HG2 GLN 86 -8.035 -1.324 -1.829 668 HG3 GLN 86 HG1 GLN 86 -8.146 -2.802 -2.784 669 HE21 GLN 86 HE21 GLN 86 -9.164 -1.198 0.141 670 HE22 GLN 86 HE22 GLN 86 -10.516 -2.224 0.467 671 H GLY 87 HN GLY 87 -8.723 -5.831 -1.770 672 HA2 GLY 87 HA2 GLY 87 -9.177 -6.596 -3.945 673 HA3 GLY 87 HA1 GLY 87 -7.537 -6.174 -4.413 674 H VAL 88 HN VAL 88 -8.192 -8.039 -1.533 675 HA VAL 88 HA VAL 88 -7.015 -10.367 -2.889 676 HB VAL 88 HB VAL 88 -6.197 -11.140 -0.722 677 HG11 VAL 88 HG11 VAL 88 -5.387 -8.314 -1.379 678 HG12 VAL 88 HG12 VAL 88 -4.714 -9.792 -2.066 679 HG13 VAL 88 HG13 VAL 88 -4.469 -9.422 -0.359 680 HG21 VAL 88 HG21 VAL 88 -6.280 -9.711 1.259 681 HG22 VAL 88 HG22 VAL 88 -7.901 -10.156 0.725 682 HG23 VAL 88 HG23 VAL 88 -7.270 -8.545 0.382 683 HA PRO 89 HA PRO 89 -10.794 -12.482 -1.898 684 HB2 PRO 89 HB2 PRO 89 -10.102 -14.911 -2.825 685 HB3 PRO 89 HB1 PRO 89 -10.450 -13.562 -3.910 686 HG2 PRO 89 HG2 PRO 89 -7.825 -14.706 -3.090 687 HG3 PRO 89 HG1 PRO 89 -8.323 -14.043 -4.655 688 HD2 PRO 89 HD2 PRO 89 -6.829 -12.698 -2.737 689 HD3 PRO 89 HD1 PRO 89 -7.722 -11.935 -4.063 690 H GLY 90 HN GLY 90 -11.105 -12.765 0.246 691 HA2 GLY 90 HA2 GLY 90 -9.548 -14.893 1.557 692 HA3 GLY 90 HA1 GLY 90 -9.775 -13.341 2.351 693 HA PRO 91 HA PRO 91 -13.351 -15.214 4.184 694 HB2 PRO 91 HB2 PRO 91 -14.491 -12.957 5.192 695 HB3 PRO 91 HB1 PRO 91 -13.102 -13.756 5.935 696 HG2 PRO 91 HG2 PRO 91 -13.182 -11.353 4.161 697 HG3 PRO 91 HG1 PRO 91 -12.201 -11.646 5.608 698 HD2 PRO 91 HD2 PRO 91 -11.225 -11.895 3.089 699 HD3 PRO 91 HD1 PRO 91 -10.635 -12.868 4.451 700 H SER 92 HN SER 92 -15.303 -15.737 3.430 701 HA SER 92 HA SER 92 -16.343 -14.633 1.044 702 HB2 SER 92 HB2 SER 92 -17.738 -16.373 3.091 703 HB3 SER 92 HB1 SER 92 -18.217 -16.151 1.409 704 HG SER 92 HG SER 92 -15.688 -16.879 1.382 705 HA PRO 93 HA PRO 93 -18.041 -10.876 2.680 706 HB2 PRO 93 HB2 PRO 93 -19.796 -11.179 0.288 707 HB3 PRO 93 HB1 PRO 93 -18.846 -9.787 0.820 708 HG2 PRO 93 HG2 PRO 93 -18.005 -11.295 -1.197 709 HG3 PRO 93 HG1 PRO 93 -16.859 -10.664 0.003 710 HD2 PRO 93 HD2 PRO 93 -17.958 -13.422 -0.306 711 HD3 PRO 93 HD1 PRO 93 -16.339 -12.898 0.201 712 H ASP 94 HN ASP 94 -20.208 -13.461 1.559 713 HA ASP 94 HA ASP 94 -22.168 -12.539 3.552 714 HB2 ASP 94 HB2 ASP 94 -22.528 -14.076 0.989 715 HB3 ASP 94 HB1 ASP 94 -23.765 -14.064 2.240 716 HA PRO 95 HA PRO 95 -20.575 -16.153 5.749 717 HB2 PRO 95 HB2 PRO 95 -22.520 -15.165 7.743 718 HB3 PRO 95 HB1 PRO 95 -20.802 -15.528 7.934 719 HG2 PRO 95 HG2 PRO 95 -21.686 -13.005 7.886 720 HG3 PRO 95 HG1 PRO 95 -20.141 -13.459 7.143 721 HD2 PRO 95 HD2 PRO 95 -22.779 -12.902 5.846 722 HD3 PRO 95 HD1 PRO 95 -21.143 -12.467 5.308 723 H LEU 96 HN LEU 96 -23.882 -15.182 5.228 724 HA LEU 96 HA LEU 96 -25.073 -17.652 6.004 725 HB2 LEU 96 HB2 LEU 96 -26.078 -15.361 4.318 726 HB3 LEU 96 HB1 LEU 96 -27.046 -16.781 4.655 727 HG LEU 96 HG LEU 96 -27.745 -15.076 6.150 728 HD11 LEU 96 HD11 LEU 96 -25.940 -16.938 7.677 729 HD12 LEU 96 HD12 LEU 96 -27.565 -17.318 7.108 730 HD13 LEU 96 HD13 LEU 96 -27.327 -16.056 8.316 731 HD21 LEU 96 HD21 LEU 96 -25.780 -13.626 5.983 732 HD22 LEU 96 HD22 LEU 96 -24.870 -14.749 6.995 733 HD23 LEU 96 HD23 LEU 96 -26.260 -13.892 7.658 734 H ASP 97 HN ASP 97 -23.909 -16.294 2.988 735 HA ASP 97 HA ASP 97 -24.759 -18.495 1.373 736 HB2 ASP 97 HB2 ASP 97 -24.429 -16.329 0.341 737 HB3 ASP 97 HB1 ASP 97 -22.752 -16.288 0.871 738 H ALA 98 HN ALA 98 -21.948 -17.693 3.255 739 HA ALA 98 HA ALA 98 -20.231 -19.722 2.259 740 HB1 ALA 98 HB1 ALA 98 -19.417 -17.773 3.517 741 HB2 ALA 98 HB2 ALA 98 -18.884 -19.293 4.234 742 HB3 ALA 98 HB3 ALA 98 -20.210 -18.390 4.966 743 H GLN 99 HN GLN 99 -22.812 -19.666 4.595 744 HA GLN 99 HA GLN 99 -22.212 -22.293 5.630 745 HB2 GLN 99 HB2 GLN 99 -24.617 -20.495 5.966 746 HB3 GLN 99 HB1 GLN 99 -24.441 -22.056 6.757 747 HG2 GLN 99 HG2 GLN 99 -22.455 -21.256 7.914 748 HG3 GLN 99 HG1 GLN 99 -22.605 -19.697 7.108 749 HE21 GLN 99 HE21 GLN 99 -25.527 -19.709 7.315 750 HE22 GLN 99 HE22 GLN 99 -25.879 -19.344 8.969 751 H LEU 100 HN LEU 100 -24.366 -20.854 3.269 752 HA LEU 100 HA LEU 100 -25.480 -23.479 2.626 753 HB2 LEU 100 HB2 LEU 100 -26.255 -20.702 1.747 754 HB3 LEU 100 HB1 LEU 100 -27.022 -22.164 1.158 755 HG LEU 100 HG LEU 100 -26.993 -21.315 4.053 756 HD11 LEU 100 HD11 LEU 100 -28.263 -19.741 2.682 757 HD12 LEU 100 HD12 LEU 100 -29.328 -20.702 3.708 758 HD13 LEU 100 HD13 LEU 100 -29.181 -21.079 1.992 759 HD21 LEU 100 HD21 LEU 100 -27.210 -23.722 3.735 760 HD22 LEU 100 HD22 LEU 100 -28.530 -23.464 2.594 761 HD23 LEU 100 HD23 LEU 100 -28.732 -23.027 4.290 762 H ARG 101 HN ARG 101 -22.933 -23.517 1.941 763 HA ARG 101 HA ARG 101 -22.439 -22.494 -0.699 764 HB2 ARG 101 HB2 ARG 101 -20.907 -24.323 1.130 765 HB3 ARG 101 HB1 ARG 101 -20.375 -24.001 -0.513 766 HG2 ARG 101 HG2 ARG 101 -20.879 -21.815 1.483 767 HG3 ARG 101 HG1 ARG 101 -19.318 -22.618 1.314 768 HD2 ARG 101 HD2 ARG 101 -19.223 -20.638 0.010 769 HD3 ARG 101 HD1 ARG 101 -19.364 -21.985 -1.111 770 HE ARG 101 HE ARG 101 -21.730 -20.404 -0.344 771 HH11 ARG 101 HH11 ARG 101 -19.547 -21.640 -2.789 772 HH12 ARG 101 HH12 ARG 101 -20.495 -21.064 -4.119 773 HH21 ARG 101 HH21 ARG 101 -22.979 -19.605 -2.103 774 HH22 ARG 101 HH22 ARG 101 -22.454 -19.929 -3.732 775 H ASP 102 HN ASP 102 -23.565 -25.486 0.669 776 HA ASP 102 HA ASP 102 -23.325 -26.879 -1.887 777 HB2 ASP 102 HB2 ASP 102 -22.732 -28.018 0.254 778 HB3 ASP 102 HB1 ASP 102 -24.409 -27.875 0.762 779 H LEU 103 HN LEU 103 -25.378 -24.766 -0.541 780 HA LEU 103 HA LEU 103 -27.506 -24.088 -0.853 781 HB2 LEU 103 HB2 LEU 103 -27.093 -25.761 -3.309 782 HB3 LEU 103 HB1 LEU 103 -28.632 -24.988 -2.997 783 HG LEU 103 HG LEU 103 -27.415 -23.601 -4.507 784 HD11 LEU 103 HD11 LEU 103 -27.281 -21.514 -3.302 785 HD12 LEU 103 HD12 LEU 103 -27.209 -22.374 -1.765 786 HD13 LEU 103 HD13 LEU 103 -28.672 -22.444 -2.746 787 HD21 LEU 103 HD21 LEU 103 -25.143 -23.688 -2.530 788 HD22 LEU 103 HD22 LEU 103 -25.204 -22.673 -3.971 789 HD23 LEU 103 HD23 LEU 103 -25.175 -24.430 -4.128 790 H ARG 104 HN ARG 104 -27.058 -26.257 0.864 791 HA ARG 104 HA ARG 104 -29.644 -27.653 0.664 792 HB2 ARG 104 HB2 ARG 104 -27.596 -29.101 0.289 793 HB3 ARG 104 HB1 ARG 104 -27.136 -28.746 1.946 794 HG2 ARG 104 HG2 ARG 104 -28.170 -30.823 2.068 795 HG3 ARG 104 HG1 ARG 104 -29.419 -29.694 2.595 796 HD2 ARG 104 HD2 ARG 104 -29.157 -30.763 -0.211 797 HD3 ARG 104 HD1 ARG 104 -30.216 -31.453 1.015 798 HE ARG 104 HE ARG 104 -31.075 -28.951 0.995 799 HH11 ARG 104 HH11 ARG 104 -30.284 -31.050 -1.697 800 HH12 ARG 104 HH12 ARG 104 -31.456 -30.335 -2.757 801 HH21 ARG 104 HH21 ARG 104 -32.601 -28.005 -0.391 802 HH22 ARG 104 HH22 ARG 104 -32.770 -28.594 -2.014 803 H GLN 105 HN GLN 105 -30.962 -27.007 2.245 804 HA GLN 105 HA GLN 105 -30.011 -25.379 4.381 805 HB2 GLN 105 HB2 GLN 105 -32.238 -25.123 3.259 806 HB3 GLN 105 HB1 GLN 105 -32.754 -26.597 4.063 807 HG2 GLN 105 HG2 GLN 105 -32.387 -25.535 6.235 808 HG3 GLN 105 HG1 GLN 105 -31.892 -24.054 5.421 809 HE21 GLN 105 HE21 GLN 105 -34.484 -26.139 4.327 810 HE22 GLN 105 HE22 GLN 105 -35.764 -25.022 4.643 811 H LEU 106 HN LEU 106 -31.027 -28.703 4.067 812 HA LEU 106 HA LEU 106 -30.756 -30.534 5.375 813 HB2 LEU 106 HB2 LEU 106 -28.522 -29.812 5.900 814 HB3 LEU 106 HB1 LEU 106 -29.120 -28.673 7.090 815 HG LEU 106 HG LEU 106 -29.905 -30.565 8.479 816 HD11 LEU 106 HD11 LEU 106 -30.237 -32.198 6.690 817 HD12 LEU 106 HD12 LEU 106 -29.196 -32.830 7.963 818 HD13 LEU 106 HD13 LEU 106 -28.493 -32.280 6.443 819 HD21 LEU 106 HD21 LEU 106 -27.693 -31.303 9.209 820 HD22 LEU 106 HD22 LEU 106 -27.720 -29.571 8.882 821 HD23 LEU 106 HD23 LEU 106 -26.990 -30.676 7.718 Start of MODEL 5 1 H GLY -4 HT1 GLY -4 3.983 -20.891 -14.997 2 HA2 GLY -4 HA1 GLY -4 2.694 -20.854 -12.980 3 HA3 GLY -4 HA2 GLY -4 3.823 -22.201 -12.971 4 H ILE -3 HN ILE -3 2.520 -20.532 -10.805 5 HA ILE -3 HA ILE -3 4.957 -20.131 -9.268 6 HB ILE -3 HB ILE -3 4.519 -17.926 -10.233 7 HG12 ILE -3 HG12 ILE -3 3.802 -17.969 -7.294 8 HG13 ILE -3 HG11 ILE -3 5.436 -18.151 -7.923 9 HG21 ILE -3 HG21 ILE -3 2.494 -16.672 -9.663 10 HG22 ILE -3 HG22 ILE -3 1.838 -18.101 -8.865 11 HG23 ILE -3 HG23 ILE -3 2.127 -18.117 -10.605 12 HD11 ILE -3 HD11 ILE -3 3.673 -15.740 -8.287 13 HD12 ILE -3 HD12 ILE -3 5.323 -15.921 -8.885 14 HD13 ILE -3 HD13 ILE -3 5.013 -15.885 -7.149 15 H ASP -2 HN ASP -2 4.739 -20.598 -7.160 16 HA ASP -2 HA ASP -2 2.372 -21.959 -6.304 17 HB2 ASP -2 HB2 ASP -2 4.953 -21.239 -4.900 18 HB3 ASP -2 HB1 ASP -2 3.657 -22.148 -4.133 19 HA PRO -1 HA PRO -1 0.066 -18.697 -4.492 20 HB2 PRO -1 HB2 PRO -1 -0.790 -19.995 -2.196 21 HB3 PRO -1 HB1 PRO -1 -1.561 -20.108 -3.780 22 HG2 PRO -1 HG2 PRO -1 0.360 -21.981 -2.466 23 HG3 PRO -1 HG1 PRO -1 -1.064 -22.343 -3.459 24 HD2 PRO -1 HD2 PRO -1 1.409 -22.532 -4.458 25 HD3 PRO -1 HD1 PRO -1 0.061 -21.928 -5.445 26 H PHE 0 HN PHE 0 2.520 -20.322 -2.605 27 HA PHE 0 HA PHE 0 2.646 -18.424 -0.495 28 HB2 PHE 0 HB2 PHE 0 3.622 -20.618 -0.189 29 HB3 PHE 0 HB1 PHE 0 4.708 -20.372 -1.551 30 HD1 PHE 0 HD1 PHE 0 3.852 -18.932 1.775 31 HD2 PHE 0 HD2 PHE 0 6.850 -19.594 -1.172 32 HE1 PHE 0 HE1 PHE 0 5.552 -18.006 3.295 33 HE2 PHE 0 HE2 PHE 0 8.551 -18.670 0.344 34 HZ PHE 0 HZ PHE 0 7.903 -17.874 2.581 35 H THR 1 HN THR 1 4.764 -18.932 -3.323 36 HA THR 1 HA THR 1 6.182 -16.511 -2.940 37 HB THR 1 HB THR 1 6.845 -16.979 -5.418 38 HG1 THR 1 HG1 THR 1 6.485 -19.218 -5.946 39 HG21 THR 1 HG21 THR 1 8.293 -17.395 -3.482 40 HG22 THR 1 HG22 THR 1 8.454 -18.671 -4.688 41 HG23 THR 1 HG23 THR 1 7.506 -18.952 -3.228 42 H LEU 2 HN LEU 2 3.223 -17.330 -4.526 43 HA LEU 2 HA LEU 2 2.927 -15.122 -6.227 44 HB2 LEU 2 HB2 LEU 2 1.447 -17.075 -6.271 45 HB3 LEU 2 HB1 LEU 2 0.828 -16.655 -4.687 46 HG LEU 2 HG LEU 2 -0.107 -14.564 -5.644 47 HD11 LEU 2 HD11 LEU 2 1.399 -14.277 -7.520 48 HD12 LEU 2 HD12 LEU 2 -0.269 -14.365 -8.086 49 HD13 LEU 2 HD13 LEU 2 0.797 -15.759 -8.259 50 HD21 LEU 2 HD21 LEU 2 -0.985 -17.120 -6.980 51 HD22 LEU 2 HD22 LEU 2 -1.944 -15.645 -6.846 52 HD23 LEU 2 HD23 LEU 2 -1.499 -16.542 -5.394 53 H ASN 3 HN ASN 3 2.201 -15.537 -2.788 54 HA ASN 3 HA ASN 3 1.046 -12.965 -2.442 55 HB2 ASN 3 HB2 ASN 3 0.679 -14.841 -0.859 56 HB3 ASN 3 HB1 ASN 3 2.366 -14.731 -0.366 57 HD21 ASN 3 HD21 ASN 3 2.985 -13.156 1.049 58 HD22 ASN 3 HD22 ASN 3 1.875 -12.066 1.808 59 H HIS 4 HN HIS 4 4.308 -14.248 -2.202 60 HA HIS 4 HA HIS 4 5.539 -11.880 -1.252 61 HB2 HIS 4 HB2 HIS 4 6.572 -14.204 -1.327 62 HB3 HIS 4 HB1 HIS 4 6.821 -13.949 -3.049 63 HD1 HIS 4 HD1 HIS 4 8.363 -11.688 -3.594 64 HD2 HIS 4 HD2 HIS 4 8.631 -13.359 0.212 65 HE1 HIS 4 HE1 HIS 4 10.523 -10.853 -2.627 66 HE2 HIS 4 HE2 HIS 4 10.686 -11.898 -0.347 67 H GLN 5 HN GLN 5 4.798 -13.130 -4.458 68 HA GLN 5 HA GLN 5 6.173 -11.233 -5.991 69 HB2 GLN 5 HB2 GLN 5 5.366 -13.285 -6.975 70 HB3 GLN 5 HB1 GLN 5 3.700 -12.849 -6.616 71 HG2 GLN 5 HG2 GLN 5 3.866 -10.964 -8.161 72 HG3 GLN 5 HG1 GLN 5 5.527 -11.422 -8.535 73 HE21 GLN 5 HE21 GLN 5 5.912 -13.240 -9.766 74 HE22 GLN 5 HE22 GLN 5 4.675 -14.007 -10.698 75 H VAL 6 HN VAL 6 2.774 -11.261 -4.892 76 HA VAL 6 HA VAL 6 2.184 -8.760 -6.114 77 HB VAL 6 HB VAL 6 0.432 -10.416 -5.490 78 HG11 VAL 6 HG11 VAL 6 1.266 -11.058 -3.295 79 HG12 VAL 6 HG12 VAL 6 -0.402 -10.497 -3.206 80 HG13 VAL 6 HG13 VAL 6 0.911 -9.444 -2.680 81 HG21 VAL 6 HG21 VAL 6 -1.224 -8.769 -4.765 82 HG22 VAL 6 HG22 VAL 6 -0.162 -8.117 -6.013 83 HG23 VAL 6 HG23 VAL 6 0.074 -7.658 -4.326 84 H MET 7 HN MET 7 3.500 -9.712 -3.023 85 HA MET 7 HA MET 7 3.387 -7.161 -1.786 86 HB2 MET 7 HB2 MET 7 3.826 -9.310 -0.586 87 HB3 MET 7 HB1 MET 7 5.412 -9.367 -1.341 88 HG2 MET 7 HG2 MET 7 5.585 -8.538 0.917 89 HG3 MET 7 HG1 MET 7 6.014 -7.274 -0.233 90 HE1 MET 7 HE1 MET 7 5.312 -6.818 2.876 91 HE2 MET 7 HE2 MET 7 4.343 -5.348 2.766 92 HE3 MET 7 HE3 MET 7 5.796 -5.520 1.783 93 H ASP 8 HN ASP 8 5.777 -8.802 -3.814 94 HA ASP 8 HA ASP 8 7.746 -6.820 -3.911 95 HB2 ASP 8 HB2 ASP 8 6.850 -8.870 -5.931 96 HB3 ASP 8 HB1 ASP 8 8.160 -7.753 -6.278 97 H GLN 9 HN GLN 9 4.791 -7.231 -5.757 98 HA GLN 9 HA GLN 9 5.093 -5.145 -7.590 99 HB2 GLN 9 HB2 GLN 9 3.381 -6.850 -7.823 100 HB3 GLN 9 HB1 GLN 9 2.606 -6.325 -6.338 101 HG2 GLN 9 HG2 GLN 9 2.039 -4.195 -7.389 102 HG3 GLN 9 HG1 GLN 9 2.817 -4.727 -8.879 103 HE21 GLN 9 HE21 GLN 9 1.827 -6.294 -10.143 104 HE22 GLN 9 HE22 GLN 9 0.170 -6.737 -9.933 105 H VAL 10 HN VAL 10 3.443 -5.155 -4.433 106 HA VAL 10 HA VAL 10 2.778 -2.397 -4.496 107 HB VAL 10 HB VAL 10 2.976 -4.258 -2.120 108 HG11 VAL 10 HG11 VAL 10 1.487 -2.666 -0.999 109 HG12 VAL 10 HG12 VAL 10 1.588 -1.592 -2.394 110 HG13 VAL 10 HG13 VAL 10 3.027 -1.923 -1.429 111 HG21 VAL 10 HG21 VAL 10 1.407 -5.054 -3.804 112 HG22 VAL 10 HG22 VAL 10 0.610 -3.480 -3.823 113 HG23 VAL 10 HG23 VAL 10 0.551 -4.482 -2.374 114 H PHE 11 HN PHE 11 5.423 -4.208 -2.971 115 HA PHE 11 HA PHE 11 6.492 -2.069 -1.494 116 HB2 PHE 11 HB2 PHE 11 7.085 -4.408 -1.055 117 HB3 PHE 11 HB1 PHE 11 7.915 -4.501 -2.604 118 HD1 PHE 11 HD1 PHE 11 7.956 -2.726 0.656 119 HD2 PHE 11 HD2 PHE 11 10.162 -3.927 -2.776 120 HE1 PHE 11 HE1 PHE 11 10.034 -1.969 1.730 121 HE2 PHE 11 HE2 PHE 11 12.244 -3.170 -1.708 122 HZ PHE 11 HZ PHE 11 12.175 -2.157 0.539 123 H ASP 12 HN ASP 12 7.290 -3.231 -4.771 124 HA ASP 12 HA ASP 12 9.358 -1.334 -5.188 125 HB2 ASP 12 HB2 ASP 12 9.082 -3.387 -6.569 126 HB3 ASP 12 HB1 ASP 12 7.641 -2.674 -7.289 127 H GLN 13 HN GLN 13 5.894 -1.282 -5.637 128 HA GLN 13 HA GLN 13 5.688 1.126 -7.077 129 HB2 GLN 13 HB2 GLN 13 3.798 -0.381 -6.880 130 HB3 GLN 13 HB1 GLN 13 3.768 -0.172 -5.135 131 HG2 GLN 13 HG2 GLN 13 1.999 1.103 -6.151 132 HG3 GLN 13 HG1 GLN 13 3.187 2.192 -5.439 133 HE21 GLN 13 HE21 GLN 13 2.644 3.915 -6.730 134 HE22 GLN 13 HE22 GLN 13 2.975 3.969 -8.426 135 H VAL 14 HN VAL 14 5.358 0.518 -3.570 136 HA VAL 14 HA VAL 14 5.123 3.244 -2.894 137 HB VAL 14 HB VAL 14 5.609 2.567 -0.568 138 HG11 VAL 14 HG11 VAL 14 3.346 2.391 -1.419 139 HG12 VAL 14 HG12 VAL 14 3.681 1.075 -0.293 140 HG13 VAL 14 HG13 VAL 14 3.683 0.772 -2.030 141 HG21 VAL 14 HG21 VAL 14 5.932 0.204 -0.021 142 HG22 VAL 14 HG22 VAL 14 7.277 0.850 -0.962 143 HG23 VAL 14 HG23 VAL 14 6.063 -0.167 -1.739 144 H GLU 15 HN GLU 15 7.929 1.121 -3.180 145 HA GLU 15 HA GLU 15 9.865 2.876 -2.144 146 HB2 GLU 15 HB2 GLU 15 10.301 0.498 -2.625 147 HB3 GLU 15 HB1 GLU 15 10.157 0.820 -4.347 148 HG2 GLU 15 HG2 GLU 15 12.095 2.331 -4.200 149 HG3 GLU 15 HG1 GLU 15 12.257 1.920 -2.493 150 H HIS 16 HN HIS 16 8.688 2.397 -5.458 151 HA HIS 16 HA HIS 16 10.204 4.341 -6.751 152 HB2 HIS 16 HB2 HIS 16 8.831 2.739 -7.976 153 HB3 HIS 16 HB1 HIS 16 7.365 3.445 -7.307 154 HD1 HIS 16 HD1 HIS 16 6.393 5.466 -8.490 155 HD2 HIS 16 HD2 HIS 16 10.128 4.357 -9.945 156 HE1 HIS 16 HE1 HIS 16 6.740 6.823 -10.579 157 HE2 HIS 16 HE2 HIS 16 8.916 5.992 -11.537 158 H GLN 17 HN GLN 17 7.097 4.627 -5.071 159 HA GLN 17 HA GLN 17 6.645 7.331 -5.714 160 HB2 GLN 17 HB2 GLN 17 5.658 5.743 -3.339 161 HB3 GLN 17 HB1 GLN 17 5.026 7.304 -3.846 162 HG2 GLN 17 HG2 GLN 17 4.844 4.676 -5.284 163 HG3 GLN 17 HG1 GLN 17 3.532 5.666 -4.649 164 HE21 GLN 17 HE21 GLN 17 2.938 7.546 -5.755 165 HE22 GLN 17 HE22 GLN 17 3.373 7.805 -7.407 166 H ILE 18 HN ILE 18 8.216 5.796 -2.933 167 HA ILE 18 HA ILE 18 8.774 8.097 -1.444 168 HB ILE 18 HB ILE 18 10.372 5.543 -1.705 169 HG12 ILE 18 HG12 ILE 18 8.453 6.462 0.446 170 HG13 ILE 18 HG11 ILE 18 8.062 5.310 -0.826 171 HG21 ILE 18 HG21 ILE 18 10.637 7.758 0.320 172 HG22 ILE 18 HG22 ILE 18 11.827 7.295 -0.896 173 HG23 ILE 18 HG23 ILE 18 11.435 6.188 0.421 174 HD11 ILE 18 HD11 ILE 18 10.112 4.945 1.347 175 HD12 ILE 18 HD12 ILE 18 9.794 3.801 0.043 176 HD13 ILE 18 HD13 ILE 18 8.541 4.153 1.232 177 H ALA 19 HN ALA 19 10.642 6.499 -3.990 178 HA ALA 19 HA ALA 19 12.877 8.188 -3.929 179 HB1 ALA 19 HB1 ALA 19 11.774 6.639 -6.268 180 HB2 ALA 19 HB2 ALA 19 12.859 6.004 -5.031 181 HB3 ALA 19 HB3 ALA 19 13.413 7.277 -6.120 182 H GLN 20 HN GLN 20 9.790 8.490 -5.599 183 HA GLN 20 HA GLN 20 10.606 10.672 -7.243 184 HB2 GLN 20 HB2 GLN 20 7.833 9.781 -6.439 185 HB3 GLN 20 HB1 GLN 20 8.186 10.980 -7.675 186 HG2 GLN 20 HG2 GLN 20 8.833 8.047 -7.716 187 HG3 GLN 20 HG1 GLN 20 7.732 8.931 -8.772 188 HE21 GLN 20 HE21 GLN 20 8.582 10.231 -10.410 189 HE22 GLN 20 HE22 GLN 20 10.219 10.074 -10.942 190 H VAL 21 HN VAL 21 8.869 10.440 -4.159 191 HA VAL 21 HA VAL 21 8.408 13.218 -3.864 192 HB VAL 21 HB VAL 21 8.649 11.087 -1.726 193 HG11 VAL 21 HG11 VAL 21 7.469 13.858 -1.546 194 HG12 VAL 21 HG12 VAL 21 8.975 13.326 -0.798 195 HG13 VAL 21 HG13 VAL 21 7.439 12.633 -0.276 196 HG21 VAL 21 HG21 VAL 21 6.231 12.257 -3.093 197 HG22 VAL 21 HG22 VAL 21 6.200 11.106 -1.758 198 HG23 VAL 21 HG23 VAL 21 6.871 10.630 -3.318 199 H LEU 22 HN LEU 22 10.987 11.087 -2.691 200 HA LEU 22 HA LEU 22 12.424 13.100 -1.328 201 HB2 LEU 22 HB2 LEU 22 12.565 10.537 -1.123 202 HB3 LEU 22 HB1 LEU 22 13.633 10.615 -2.510 203 HG LEU 22 HG LEU 22 15.218 11.971 -1.265 204 HD11 LEU 22 HD11 LEU 22 13.747 13.254 0.117 205 HD12 LEU 22 HD12 LEU 22 14.824 12.339 1.173 206 HD13 LEU 22 HD13 LEU 22 13.160 11.802 0.925 207 HD21 LEU 22 HD21 LEU 22 14.307 9.541 0.274 208 HD22 LEU 22 HD22 LEU 22 15.882 10.319 0.422 209 HD23 LEU 22 HD23 LEU 22 15.417 9.551 -1.096 210 H GLY 23 HN GLY 23 12.559 11.823 -4.614 211 HA2 GLY 23 HA2 GLY 23 14.880 13.160 -5.470 212 HA3 GLY 23 HA1 GLY 23 13.578 12.608 -6.513 213 H ALA 24 HN ALA 24 11.471 14.126 -5.663 214 HA ALA 24 HA ALA 24 11.981 16.644 -6.872 215 HB1 ALA 24 HB1 ALA 24 9.802 15.556 -7.000 216 HB2 ALA 24 HB2 ALA 24 9.664 17.166 -6.297 217 HB3 ALA 24 HB3 ALA 24 9.598 15.741 -5.260 218 H LYS 25 HN LYS 25 12.299 15.488 -3.681 219 HA LYS 25 HA LYS 25 12.070 18.064 -2.402 220 HB2 LYS 25 HB2 LYS 25 11.424 16.051 -1.183 221 HB3 LYS 25 HB1 LYS 25 13.038 15.385 -1.382 222 HG2 LYS 25 HG2 LYS 25 12.749 16.232 0.856 223 HG3 LYS 25 HG1 LYS 25 13.945 17.198 -0.011 224 HD2 LYS 25 HD2 LYS 25 12.103 18.831 -0.519 225 HD3 LYS 25 HD1 LYS 25 11.078 17.913 0.586 226 HE2 LYS 25 HE2 LYS 25 12.073 19.833 1.705 227 HE3 LYS 25 HE1 LYS 25 12.662 18.324 2.400 228 HZ1 LYS 25 HZ1 LYS 25 14.692 18.559 1.140 229 HZ2 LYS 25 HZ2 LYS 25 14.439 19.950 2.063 230 HZ3 LYS 25 HZ3 LYS 25 14.122 19.970 0.403 231 H GLY 26 HN GLY 26 14.481 16.241 -4.004 232 HA2 GLY 26 HA2 GLY 26 16.548 17.235 -4.665 233 HA3 GLY 26 HA1 GLY 26 16.497 18.230 -3.218 234 H GLY 27 HN GLY 27 15.601 15.068 -2.563 235 HA2 GLY 27 HA2 GLY 27 18.169 14.606 -1.242 236 HA3 GLY 27 HA1 GLY 27 16.666 13.751 -0.921 237 HA PRO 28 HA PRO 28 19.477 11.460 -4.033 238 HB2 PRO 28 HB2 PRO 28 20.830 9.791 -2.401 239 HB3 PRO 28 HB1 PRO 28 21.423 11.409 -2.789 240 HG2 PRO 28 HG2 PRO 28 19.981 10.456 -0.344 241 HG3 PRO 28 HG1 PRO 28 21.380 11.539 -0.466 242 HD2 PRO 28 HD2 PRO 28 18.832 12.427 -0.098 243 HD3 PRO 28 HD1 PRO 28 20.076 13.368 -0.943 244 H LEU 29 HN LEU 29 19.115 9.273 -4.695 245 HA LEU 29 HA LEU 29 16.660 8.155 -3.719 246 HB2 LEU 29 HB2 LEU 29 17.667 8.112 -6.127 247 HB3 LEU 29 HB1 LEU 29 18.565 6.725 -5.550 248 HG LEU 29 HG LEU 29 15.550 6.884 -5.486 249 HD11 LEU 29 HD11 LEU 29 16.309 7.038 -7.790 250 HD12 LEU 29 HD12 LEU 29 15.589 5.459 -7.476 251 HD13 LEU 29 HD13 LEU 29 17.342 5.626 -7.558 252 HD21 LEU 29 HD21 LEU 29 17.456 4.558 -5.241 253 HD22 LEU 29 HD22 LEU 29 15.696 4.452 -5.261 254 HD23 LEU 29 HD23 LEU 29 16.514 5.272 -3.931 255 H VAL 30 HN VAL 30 16.616 7.129 -1.856 256 HA VAL 30 HA VAL 30 19.036 5.975 -0.758 257 HB VAL 30 HB VAL 30 17.712 5.712 1.313 258 HG11 VAL 30 HG11 VAL 30 17.550 8.454 0.066 259 HG12 VAL 30 HG12 VAL 30 18.938 7.775 0.916 260 HG13 VAL 30 HG13 VAL 30 17.441 8.099 1.790 261 HG21 VAL 30 HG21 VAL 30 15.460 6.685 1.445 262 HG22 VAL 30 HG22 VAL 30 15.518 5.319 0.331 263 HG23 VAL 30 HG23 VAL 30 15.487 6.966 -0.296 264 H ALA 31 HN ALA 31 19.111 3.865 0.159 265 HA ALA 31 HA ALA 31 17.743 1.863 -1.397 266 HB1 ALA 31 HB1 ALA 31 19.673 1.610 0.910 267 HB2 ALA 31 HB2 ALA 31 20.069 1.514 -0.805 268 HB3 ALA 31 HB3 ALA 31 19.071 0.268 -0.061 269 H VAL 32 HN VAL 32 15.643 1.681 -0.922 270 HA VAL 32 HA VAL 32 14.627 2.116 1.726 271 HB VAL 32 HB VAL 32 13.182 1.083 -0.720 272 HG11 VAL 32 HG11 VAL 32 12.133 2.307 1.827 273 HG12 VAL 32 HG12 VAL 32 11.984 0.618 1.343 274 HG13 VAL 32 HG13 VAL 32 11.161 1.876 0.421 275 HG21 VAL 32 HG21 VAL 32 13.500 3.901 0.307 276 HG22 VAL 32 HG22 VAL 32 12.423 3.413 -0.999 277 HG23 VAL 32 HG23 VAL 32 14.168 3.244 -1.187 278 H GLU 33 HN GLU 33 14.777 0.641 3.250 279 HA GLU 33 HA GLU 33 14.746 -2.204 2.583 280 HB2 GLU 33 HB2 GLU 33 15.261 -0.747 5.184 281 HB3 GLU 33 HB1 GLU 33 15.335 -2.491 4.985 282 HG2 GLU 33 HG2 GLU 33 17.048 -0.614 3.389 283 HG3 GLU 33 HG1 GLU 33 17.533 -1.240 4.963 284 H ILE 34 HN ILE 34 13.268 -3.635 3.655 285 HA ILE 34 HA ILE 34 10.615 -2.672 3.661 286 HB ILE 34 HB ILE 34 11.211 -5.003 3.100 287 HG12 ILE 34 HG12 ILE 34 9.370 -6.113 4.389 288 HG13 ILE 34 HG11 ILE 34 9.261 -4.668 5.383 289 HG21 ILE 34 HG21 ILE 34 11.656 -6.629 4.880 290 HG22 ILE 34 HG22 ILE 34 11.716 -5.314 6.055 291 HG23 ILE 34 HG23 ILE 34 12.919 -5.404 4.771 292 HD11 ILE 34 HD11 ILE 34 8.647 -3.356 3.437 293 HD12 ILE 34 HD12 ILE 34 7.551 -4.720 3.647 294 HD13 ILE 34 HD13 ILE 34 8.807 -4.782 2.411 295 H ASP 35 HN ASP 35 13.002 -2.960 6.143 296 HA ASP 35 HA ASP 35 11.020 -2.603 8.268 297 HB2 ASP 35 HB2 ASP 35 12.808 -3.142 9.811 298 HB3 ASP 35 HB1 ASP 35 12.778 -4.348 8.526 299 H SER 36 HN SER 36 12.522 -0.598 6.229 300 HA SER 36 HA SER 36 13.797 1.261 7.937 301 HB2 SER 36 HB2 SER 36 12.601 1.614 5.181 302 HB3 SER 36 HB1 SER 36 13.565 2.837 6.008 303 HG SER 36 HG SER 36 15.242 1.188 6.124 304 H ARG 37 HN ARG 37 12.857 2.379 9.484 305 HA ARG 37 HA ARG 37 10.114 3.134 9.502 306 HB2 ARG 37 HB2 ARG 37 12.474 4.256 11.029 307 HB3 ARG 37 HB1 ARG 37 10.793 4.643 11.359 308 HG2 ARG 37 HG2 ARG 37 10.339 2.389 12.023 309 HG3 ARG 37 HG1 ARG 37 11.943 1.868 11.510 310 HD2 ARG 37 HD2 ARG 37 11.405 3.878 13.692 311 HD3 ARG 37 HD1 ARG 37 11.739 2.167 13.962 312 HE ARG 37 HE ARG 37 13.862 2.905 12.515 313 HH11 ARG 37 HH11 ARG 37 12.369 4.378 15.324 314 HH12 ARG 37 HH12 ARG 37 13.856 5.052 15.912 315 HH21 ARG 37 HH21 ARG 37 15.821 3.784 13.300 316 HH22 ARG 37 HH22 ARG 37 15.813 4.720 14.761 317 H PHE 38 HN PHE 38 9.162 4.862 8.547 318 HA PHE 38 HA PHE 38 10.342 5.914 6.300 319 HB2 PHE 38 HB2 PHE 38 7.964 6.786 7.893 320 HB3 PHE 38 HB1 PHE 38 8.479 7.703 6.481 321 HD1 PHE 38 HD1 PHE 38 6.710 4.841 7.671 322 HD2 PHE 38 HD2 PHE 38 8.650 6.485 4.261 323 HE1 PHE 38 HE1 PHE 38 5.506 3.256 6.227 324 HE2 PHE 38 HE2 PHE 38 7.447 4.904 2.812 325 HZ PHE 38 HZ PHE 38 5.884 3.312 3.758 326 H SER 39 HN SER 39 9.896 7.667 9.384 327 HA SER 39 HA SER 39 11.174 10.010 8.458 328 HB2 SER 39 HB2 SER 39 10.791 9.047 11.298 329 HB3 SER 39 HB1 SER 39 11.182 10.698 10.810 330 HG SER 39 HG SER 39 9.097 10.029 9.392 331 H ASP 40 HN ASP 40 12.387 7.077 9.887 332 HA ASP 40 HA ASP 40 15.023 8.025 10.432 333 HB2 ASP 40 HB2 ASP 40 14.209 6.071 11.591 334 HB3 ASP 40 HB1 ASP 40 13.885 5.248 10.072 335 H LEU 41 HN LEU 41 13.377 6.664 7.682 336 HA LEU 41 HA LEU 41 15.736 6.291 6.094 337 HB2 LEU 41 HB2 LEU 41 13.658 4.963 5.865 338 HB3 LEU 41 HB1 LEU 41 12.821 6.401 5.325 339 HG LEU 41 HG LEU 41 14.315 6.486 3.347 340 HD11 LEU 41 HD11 LEU 41 15.283 3.826 4.392 341 HD12 LEU 41 HD12 LEU 41 16.237 5.303 4.250 342 HD13 LEU 41 HD13 LEU 41 15.643 4.496 2.801 343 HD21 LEU 41 HD21 LEU 41 13.239 4.632 2.196 344 HD22 LEU 41 HD22 LEU 41 12.106 5.448 3.275 345 HD23 LEU 41 HD23 LEU 41 12.816 3.905 3.746 346 H GLY 42 HN GLY 42 13.728 8.932 6.909 347 HA2 GLY 42 HA2 GLY 42 14.693 11.134 6.370 348 HA3 GLY 42 HA1 GLY 42 14.952 10.526 4.743 349 H LEU 43 HN LEU 43 12.028 9.369 5.825 350 HA LEU 43 HA LEU 43 10.595 11.467 4.360 351 HB2 LEU 43 HB2 LEU 43 9.834 8.653 5.131 352 HB3 LEU 43 HB1 LEU 43 8.677 9.795 4.481 353 HG LEU 43 HG LEU 43 9.380 8.350 2.713 354 HD11 LEU 43 HD11 LEU 43 10.765 11.005 2.401 355 HD12 LEU 43 HD12 LEU 43 9.051 10.696 2.125 356 HD13 LEU 43 HD13 LEU 43 10.262 9.926 1.100 357 HD21 LEU 43 HD21 LEU 43 11.463 7.538 3.636 358 HD22 LEU 43 HD22 LEU 43 12.208 9.120 3.416 359 HD23 LEU 43 HD23 LEU 43 11.728 8.169 2.011 360 H SER 44 HN SER 44 10.041 13.076 5.689 361 HA SER 44 HA SER 44 9.415 12.587 8.453 362 HB2 SER 44 HB2 SER 44 9.396 15.121 6.806 363 HB3 SER 44 HB1 SER 44 9.158 15.054 8.551 364 HG SER 44 HG SER 44 11.466 14.882 7.087 365 H SER 45 HN SER 45 7.436 14.168 9.195 366 HA SER 45 HA SER 45 5.177 12.621 8.670 367 HB2 SER 45 HB2 SER 45 5.335 15.408 9.834 368 HB3 SER 45 HB1 SER 45 3.942 14.336 9.946 369 HG SER 45 HG SER 45 6.531 13.656 10.906 370 H LEU 46 HN LEU 46 5.913 15.924 7.529 371 HA LEU 46 HA LEU 46 3.603 16.272 5.986 372 HB2 LEU 46 HB2 LEU 46 6.366 17.413 5.577 373 HB3 LEU 46 HB1 LEU 46 4.922 17.984 4.765 374 HG LEU 46 HG LEU 46 5.385 18.074 7.744 375 HD11 LEU 46 HD11 LEU 46 5.580 20.492 7.416 376 HD12 LEU 46 HD12 LEU 46 5.477 20.257 5.671 377 HD13 LEU 46 HD13 LEU 46 6.850 19.611 6.569 378 HD21 LEU 46 HD21 LEU 46 3.030 17.856 7.177 379 HD22 LEU 46 HD22 LEU 46 3.165 19.204 6.048 380 HD23 LEU 46 HD23 LEU 46 3.380 19.476 7.777 381 H ASP 47 HN ASP 47 6.738 14.882 5.181 382 HA ASP 47 HA ASP 47 6.293 14.521 2.426 383 HB2 ASP 47 HB2 ASP 47 8.048 12.902 4.287 384 HB3 ASP 47 HB1 ASP 47 8.141 12.900 2.529 385 H LEU 48 HN LEU 48 5.697 12.446 5.223 386 HA LEU 48 HA LEU 48 4.818 10.163 3.876 387 HB2 LEU 48 HB2 LEU 48 4.236 11.304 6.583 388 HB3 LEU 48 HB1 LEU 48 3.417 9.854 6.037 389 HG LEU 48 HG LEU 48 6.415 10.143 6.217 390 HD11 LEU 48 HD11 LEU 48 5.390 10.234 8.434 391 HD12 LEU 48 HD12 LEU 48 6.251 8.714 8.188 392 HD13 LEU 48 HD13 LEU 48 4.491 8.757 8.081 393 HD21 LEU 48 HD21 LEU 48 4.611 7.785 5.694 394 HD22 LEU 48 HD22 LEU 48 6.346 7.683 5.978 395 HD23 LEU 48 HD23 LEU 48 5.735 8.528 4.557 396 H ALA 49 HN ALA 49 2.958 12.940 5.074 397 HA ALA 49 HA ALA 49 0.422 12.084 4.298 398 HB1 ALA 49 HB1 ALA 49 0.811 14.039 5.727 399 HB2 ALA 49 HB2 ALA 49 -0.227 14.435 4.358 400 HB3 ALA 49 HB3 ALA 49 1.470 14.915 4.345 401 H THR 50 HN THR 50 2.821 13.979 2.495 402 HA THR 50 HA THR 50 1.300 14.252 0.130 403 HB THR 50 HB THR 50 4.314 14.217 0.380 404 HG1 THR 50 HG1 THR 50 2.457 15.930 1.383 405 HG21 THR 50 HG21 THR 50 3.485 14.162 -1.931 406 HG22 THR 50 HG22 THR 50 4.251 15.706 -1.563 407 HG23 THR 50 HG23 THR 50 2.492 15.584 -1.609 408 H LEU 51 HN LEU 51 3.719 11.886 1.161 409 HA LEU 51 HA LEU 51 4.009 10.419 -1.178 410 HB2 LEU 51 HB2 LEU 51 5.440 10.130 0.765 411 HB3 LEU 51 HB1 LEU 51 4.098 9.500 1.695 412 HG LEU 51 HG LEU 51 3.996 7.555 0.138 413 HD11 LEU 51 HD11 LEU 51 5.028 8.562 -1.809 414 HD12 LEU 51 HD12 LEU 51 5.936 7.136 -1.306 415 HD13 LEU 51 HD13 LEU 51 6.548 8.747 -0.934 416 HD21 LEU 51 HD21 LEU 51 5.154 7.408 2.278 417 HD22 LEU 51 HD22 LEU 51 6.635 8.003 1.527 418 HD23 LEU 51 HD23 LEU 51 5.968 6.441 1.048 419 H ILE 52 HN ILE 52 1.784 9.775 1.536 420 HA ILE 52 HA ILE 52 0.592 7.530 0.280 421 HB ILE 52 HB ILE 52 -0.630 9.215 2.473 422 HG12 ILE 52 HG12 ILE 52 1.270 6.861 2.684 423 HG13 ILE 52 HG11 ILE 52 1.672 8.534 3.054 424 HG21 ILE 52 HG21 ILE 52 -1.766 7.138 3.083 425 HG22 ILE 52 HG22 ILE 52 -0.985 6.307 1.739 426 HG23 ILE 52 HG23 ILE 52 -2.146 7.595 1.422 427 HD11 ILE 52 HD11 ILE 52 0.058 8.524 4.879 428 HD12 ILE 52 HD12 ILE 52 1.261 7.249 5.075 429 HD13 ILE 52 HD13 ILE 52 -0.360 6.852 4.504 430 H SER 53 HN SER 53 -0.079 10.961 0.175 431 HA SER 53 HA SER 53 -2.670 10.799 -0.956 432 HB2 SER 53 HB2 SER 53 -0.599 12.989 -1.242 433 HB3 SER 53 HB1 SER 53 -2.313 13.138 -1.632 434 HG SER 53 HG SER 53 -1.155 12.649 0.922 435 H ASN 54 HN ASN 54 0.572 10.978 -2.391 436 HA ASN 54 HA ASN 54 -0.337 10.914 -5.088 437 HB2 ASN 54 HB2 ASN 54 2.330 10.161 -3.875 438 HB3 ASN 54 HB1 ASN 54 2.019 10.184 -5.606 439 HD21 ASN 54 HD21 ASN 54 3.942 11.710 -4.127 440 HD22 ASN 54 HD22 ASN 54 3.568 13.380 -4.389 441 H LEU 55 HN LEU 55 0.530 8.485 -2.714 442 HA LEU 55 HA LEU 55 0.455 6.243 -4.424 443 HB2 LEU 55 HB2 LEU 55 1.424 6.390 -2.086 444 HB3 LEU 55 HB1 LEU 55 -0.218 6.268 -1.487 445 HG LEU 55 HG LEU 55 -0.430 4.054 -2.573 446 HD11 LEU 55 HD11 LEU 55 1.160 4.320 -4.377 447 HD12 LEU 55 HD12 LEU 55 1.623 2.944 -3.376 448 HD13 LEU 55 HD13 LEU 55 2.485 4.473 -3.224 449 HD21 LEU 55 HD21 LEU 55 1.023 2.855 -1.013 450 HD22 LEU 55 HD22 LEU 55 0.230 4.224 -0.233 451 HD23 LEU 55 HD23 LEU 55 1.924 4.341 -0.710 452 H GLU 56 HN GLU 56 -2.024 7.902 -2.531 453 HA GLU 56 HA GLU 56 -4.180 6.200 -2.962 454 HB2 GLU 56 HB2 GLU 56 -4.431 8.084 -1.486 455 HB3 GLU 56 HB1 GLU 56 -4.090 9.218 -2.788 456 HG2 GLU 56 HG2 GLU 56 -6.162 8.401 -3.927 457 HG3 GLU 56 HG1 GLU 56 -6.522 7.481 -2.469 458 H ALA 57 HN ALA 57 -2.899 8.793 -5.002 459 HA ALA 57 HA ALA 57 -4.875 8.657 -7.007 460 HB1 ALA 57 HB1 ALA 57 -3.403 10.585 -6.732 461 HB2 ALA 57 HB2 ALA 57 -3.318 9.946 -8.374 462 HB3 ALA 57 HB3 ALA 57 -2.022 9.607 -7.227 463 H VAL 58 HN VAL 58 -2.275 6.579 -6.272 464 HA VAL 58 HA VAL 58 -1.927 5.505 -8.911 465 HB VAL 58 HB VAL 58 -1.108 4.359 -6.234 466 HG11 VAL 58 HG11 VAL 58 -1.264 2.639 -7.962 467 HG12 VAL 58 HG12 VAL 58 0.414 2.943 -7.512 468 HG13 VAL 58 HG13 VAL 58 -0.228 3.599 -9.017 469 HG21 VAL 58 HG21 VAL 58 -0.056 6.501 -6.663 470 HG22 VAL 58 HG22 VAL 58 0.450 5.955 -8.261 471 HG23 VAL 58 HG23 VAL 58 1.126 5.201 -6.817 472 H TYR 59 HN TYR 59 -3.544 4.390 -5.935 473 HA TYR 59 HA TYR 59 -4.578 2.083 -7.390 474 HB2 TYR 59 HB2 TYR 59 -4.825 2.812 -4.467 475 HB3 TYR 59 HB1 TYR 59 -5.369 1.303 -5.193 476 HD1 TYR 59 HD1 TYR 59 -3.652 -0.251 -6.189 477 HD2 TYR 59 HD2 TYR 59 -2.582 3.093 -3.789 478 HE1 TYR 59 HE1 TYR 59 -1.436 -1.241 -5.808 479 HE2 TYR 59 HE2 TYR 59 -0.362 2.110 -3.402 480 HH TYR 59 HH TYR 59 0.739 -0.044 -3.450 481 H GLY 60 HN GLY 60 -5.725 5.075 -5.989 482 HA2 GLY 60 HA2 GLY 60 -7.740 6.160 -6.360 483 HA3 GLY 60 HA1 GLY 60 -8.268 4.789 -7.328 484 H THR 61 HN THR 61 -7.047 3.960 -4.285 485 HA THR 61 HA THR 61 -9.768 3.663 -3.204 486 HB THR 61 HB THR 61 -9.000 1.497 -2.216 487 HG1 THR 61 HG1 THR 61 -6.711 1.969 -2.444 488 HG21 THR 61 HG21 THR 61 -10.338 1.495 -4.261 489 HG22 THR 61 HG22 THR 61 -9.153 0.189 -4.289 490 HG23 THR 61 HG23 THR 61 -8.872 1.654 -5.230 491 H ASP 62 HN ASP 62 -9.448 2.837 -0.789 492 HA ASP 62 HA ASP 62 -8.575 2.964 1.291 493 HB2 ASP 62 HB2 ASP 62 -6.348 2.619 0.191 494 HB3 ASP 62 HB1 ASP 62 -6.166 4.370 0.142 495 HA PRO 63 HA PRO 63 -10.061 7.107 2.050 496 HB2 PRO 63 HB2 PRO 63 -11.454 6.496 4.255 497 HB3 PRO 63 HB1 PRO 63 -12.028 6.059 2.642 498 HG2 PRO 63 HG2 PRO 63 -10.765 4.356 4.729 499 HG3 PRO 63 HG1 PRO 63 -12.031 3.951 3.558 500 HD2 PRO 63 HD2 PRO 63 -9.313 3.336 3.321 501 HD3 PRO 63 HD1 PRO 63 -10.512 3.286 2.016 502 H PHE 64 HN PHE 64 -9.023 8.680 3.101 503 HA PHE 64 HA PHE 64 -6.923 8.068 4.940 504 HB2 PHE 64 HB2 PHE 64 -8.049 10.649 3.891 505 HB3 PHE 64 HB1 PHE 64 -6.789 10.617 5.116 506 HD1 PHE 64 HD1 PHE 64 -4.563 9.736 4.577 507 HD2 PHE 64 HD2 PHE 64 -7.593 10.129 1.626 508 HE1 PHE 64 HE1 PHE 64 -2.866 9.512 2.812 509 HE2 PHE 64 HE2 PHE 64 -5.909 9.900 -0.147 510 HZ PHE 64 HZ PHE 64 -3.509 9.632 0.469 511 H ALA 65 HN ALA 65 -10.225 8.471 5.331 512 HA ALA 65 HA ALA 65 -10.301 9.606 7.920 513 HB1 ALA 65 HB1 ALA 65 -12.205 7.645 6.645 514 HB2 ALA 65 HB2 ALA 65 -12.300 9.403 6.533 515 HB3 ALA 65 HB3 ALA 65 -12.525 8.603 8.089 516 H ASP 66 HN ASP 66 -9.995 6.289 6.735 517 HA ASP 66 HA ASP 66 -9.722 5.202 9.398 518 HB2 ASP 66 HB2 ASP 66 -9.398 4.000 6.644 519 HB3 ASP 66 HB1 ASP 66 -9.046 3.099 8.115 520 H ALA 67 HN ALA 67 -7.641 6.028 6.684 521 HA ALA 67 HA ALA 67 -5.249 5.169 8.061 522 HB1 ALA 67 HB1 ALA 67 -4.073 5.901 6.071 523 HB2 ALA 67 HB2 ALA 67 -5.536 6.676 5.467 524 HB3 ALA 67 HB3 ALA 67 -5.471 4.921 5.627 525 H VAL 68 HN VAL 68 -6.916 7.309 9.236 526 HA VAL 68 HA VAL 68 -5.423 9.746 8.992 527 HB VAL 68 HB VAL 68 -7.847 9.672 9.637 528 HG11 VAL 68 HG11 VAL 68 -7.846 7.816 11.176 529 HG12 VAL 68 HG12 VAL 68 -8.400 9.266 12.011 530 HG13 VAL 68 HG13 VAL 68 -6.758 8.675 12.265 531 HG21 VAL 68 HG21 VAL 68 -7.695 11.468 11.305 532 HG22 VAL 68 HG22 VAL 68 -6.542 11.681 9.987 533 HG23 VAL 68 HG23 VAL 68 -5.992 11.079 11.551 534 H ALA 69 HN ALA 69 -5.203 6.869 10.842 535 HA ALA 69 HA ALA 69 -3.497 7.965 12.887 536 HB1 ALA 69 HB1 ALA 69 -4.109 5.091 12.194 537 HB2 ALA 69 HB2 ALA 69 -4.964 6.071 13.385 538 HB3 ALA 69 HB3 ALA 69 -3.271 5.651 13.642 539 H ILE 70 HN ILE 70 -1.996 8.941 11.382 540 HA ILE 70 HA ILE 70 -0.431 7.481 9.557 541 HB ILE 70 HB ILE 70 -0.609 9.915 9.463 542 HG12 ILE 70 HG12 ILE 70 1.804 10.466 9.145 543 HG13 ILE 70 HG11 ILE 70 2.219 8.936 9.912 544 HG21 ILE 70 HG21 ILE 70 -0.689 10.429 11.816 545 HG22 ILE 70 HG22 ILE 70 0.616 11.335 11.051 546 HG23 ILE 70 HG23 ILE 70 0.984 9.908 12.018 547 HD11 ILE 70 HD11 ILE 70 0.662 9.266 7.356 548 HD12 ILE 70 HD12 ILE 70 1.077 7.732 8.124 549 HD13 ILE 70 HD13 ILE 70 2.350 8.776 7.497 550 H THR 71 HN THR 71 -0.299 7.774 12.980 551 HA THR 71 HA THR 71 2.406 7.041 13.387 552 HB THR 71 HB THR 71 1.504 6.363 15.699 553 HG1 THR 71 HG1 THR 71 -0.593 6.442 15.955 554 HG21 THR 71 HG21 THR 71 1.108 9.173 14.672 555 HG22 THR 71 HG22 THR 71 2.612 8.489 15.286 556 HG23 THR 71 HG23 THR 71 1.240 8.717 16.370 557 H SER 72 HN SER 72 -0.307 5.254 12.363 558 HA SER 72 HA SER 72 0.642 2.699 13.294 559 HB2 SER 72 HB2 SER 72 -1.773 3.141 12.861 560 HB3 SER 72 HB1 SER 72 -1.406 3.323 11.147 561 HG SER 72 HG SER 72 -0.834 0.979 12.646 562 H ILE 73 HN ILE 73 1.293 4.832 10.725 563 HA ILE 73 HA ILE 73 2.603 2.745 9.135 564 HB ILE 73 HB ILE 73 2.157 5.655 8.430 565 HG12 ILE 73 HG12 ILE 73 0.008 4.501 8.616 566 HG13 ILE 73 HG11 ILE 73 0.375 4.845 6.931 567 HG21 ILE 73 HG21 ILE 73 2.694 4.946 6.146 568 HG22 ILE 73 HG22 ILE 73 3.026 3.318 6.738 569 HG23 ILE 73 HG23 ILE 73 4.035 4.668 7.256 570 HD11 ILE 73 HD11 ILE 73 1.097 2.521 6.628 571 HD12 ILE 73 HD12 ILE 73 -0.581 2.642 7.159 572 HD13 ILE 73 HD13 ILE 73 0.676 2.186 8.309 573 H VAL 74 HN VAL 74 4.411 2.400 10.436 574 HA VAL 74 HA VAL 74 6.134 4.720 10.965 575 HB VAL 74 HB VAL 74 6.270 1.946 12.164 576 HG11 VAL 74 HG11 VAL 74 8.440 3.081 12.075 577 HG12 VAL 74 HG12 VAL 74 7.861 2.921 13.732 578 HG13 VAL 74 HG13 VAL 74 7.745 4.474 12.903 579 HG21 VAL 74 HG21 VAL 74 5.264 4.526 13.363 580 HG22 VAL 74 HG22 VAL 74 5.408 2.981 14.199 581 HG23 VAL 74 HG23 VAL 74 4.265 3.160 12.867 582 H THR 75 HN THR 75 6.290 1.347 9.859 583 HA THR 75 HA THR 75 8.823 1.998 8.514 584 HB THR 75 HB THR 75 9.180 -0.464 8.382 585 HG1 THR 75 HG1 THR 75 6.687 -0.445 9.719 586 HG21 THR 75 HG21 THR 75 10.188 0.838 10.187 587 HG22 THR 75 HG22 THR 75 9.742 -0.776 10.742 588 HG23 THR 75 HG23 THR 75 8.738 0.611 11.167 589 H VAL 76 HN VAL 76 9.167 0.944 6.386 590 HA VAL 76 HA VAL 76 7.138 1.550 4.574 591 HB VAL 76 HB VAL 76 9.409 -0.410 4.167 592 HG11 VAL 76 HG11 VAL 76 7.726 1.082 2.156 593 HG12 VAL 76 HG12 VAL 76 7.677 -0.652 2.470 594 HG13 VAL 76 HG13 VAL 76 9.127 0.078 1.781 595 HG21 VAL 76 HG21 VAL 76 9.239 2.558 3.649 596 HG22 VAL 76 HG22 VAL 76 10.558 1.515 3.118 597 HG23 VAL 76 HG23 VAL 76 10.260 1.752 4.839 598 H ALA 77 HN ALA 77 7.966 -1.477 6.158 599 HA ALA 77 HA ALA 77 6.339 -3.279 4.851 600 HB1 ALA 77 HB1 ALA 77 7.956 -3.861 6.617 601 HB2 ALA 77 HB2 ALA 77 6.376 -4.596 6.880 602 HB3 ALA 77 HB3 ALA 77 6.858 -3.184 7.820 603 H ASP 78 HN ASP 78 5.460 -0.927 7.333 604 HA ASP 78 HA ASP 78 2.875 -1.926 7.882 605 HB2 ASP 78 HB2 ASP 78 3.977 0.880 8.139 606 HB3 ASP 78 HB1 ASP 78 2.413 0.370 8.764 607 H LEU 79 HN LEU 79 4.003 0.602 5.678 608 HA LEU 79 HA LEU 79 1.399 1.267 4.737 609 HB2 LEU 79 HB2 LEU 79 3.403 2.776 4.689 610 HB3 LEU 79 HB1 LEU 79 4.056 1.786 3.400 611 HG LEU 79 HG LEU 79 2.047 2.366 2.023 612 HD11 LEU 79 HD11 LEU 79 1.535 4.299 4.279 613 HD12 LEU 79 HD12 LEU 79 0.509 2.945 3.802 614 HD13 LEU 79 HD13 LEU 79 0.723 4.317 2.715 615 HD21 LEU 79 HD21 LEU 79 3.752 4.655 2.991 616 HD22 LEU 79 HD22 LEU 79 2.811 4.639 1.500 617 HD23 LEU 79 HD23 LEU 79 4.159 3.520 1.704 618 H ALA 80 HN ALA 80 4.026 -0.764 3.539 619 HA ALA 80 HA ALA 80 2.925 -1.336 1.016 620 HB1 ALA 80 HB1 ALA 80 4.811 -3.025 2.652 621 HB2 ALA 80 HB2 ALA 80 5.280 -1.704 1.582 622 HB3 ALA 80 HB3 ALA 80 4.530 -3.155 0.917 623 H ARG 81 HN ARG 81 2.751 -3.142 4.091 624 HA ARG 81 HA ARG 81 1.277 -5.316 3.085 625 HB2 ARG 81 HB2 ARG 81 1.494 -4.169 5.861 626 HB3 ARG 81 HB1 ARG 81 0.552 -5.608 5.503 627 HG2 ARG 81 HG2 ARG 81 2.586 -6.697 4.643 628 HG3 ARG 81 HG1 ARG 81 3.512 -5.261 5.092 629 HD2 ARG 81 HD2 ARG 81 1.926 -6.998 6.979 630 HD3 ARG 81 HD1 ARG 81 3.677 -7.021 6.790 631 HE ARG 81 HE ARG 81 3.716 -4.761 7.676 632 HH11 ARG 81 HH11 ARG 81 0.740 -6.549 8.118 633 HH12 ARG 81 HH12 ARG 81 0.249 -5.639 9.512 634 HH21 ARG 81 HH21 ARG 81 3.067 -3.558 9.519 635 HH22 ARG 81 HH22 ARG 81 1.572 -3.941 10.305 636 H ALA 82 HN ALA 82 0.268 -2.181 4.310 637 HA ALA 82 HA ALA 82 -2.457 -2.698 4.649 638 HB1 ALA 82 HB1 ALA 82 -1.353 -0.670 5.469 639 HB2 ALA 82 HB2 ALA 82 -2.772 -0.289 4.495 640 HB3 ALA 82 HB3 ALA 82 -1.157 -0.109 3.808 641 H TYR 83 HN TYR 83 -0.719 -1.438 1.809 642 HA TYR 83 HA TYR 83 -3.141 -1.478 0.240 643 HB2 TYR 83 HB2 TYR 83 -0.292 -0.748 -0.422 644 HB3 TYR 83 HB1 TYR 83 -1.582 -0.749 -1.623 645 HD1 TYR 83 HD1 TYR 83 -0.244 0.910 1.355 646 HD2 TYR 83 HD2 TYR 83 -3.342 0.924 -1.558 647 HE1 TYR 83 HE1 TYR 83 -0.863 3.190 2.032 648 HE2 TYR 83 HE2 TYR 83 -3.969 3.203 -0.888 649 HH TYR 83 HH TYR 83 -2.026 5.187 0.943 650 H ALA 84 HN ALA 84 -0.698 -3.711 0.993 651 HA ALA 84 HA ALA 84 -0.913 -5.334 -1.343 652 HB1 ALA 84 HB1 ALA 84 0.185 -7.056 -0.034 653 HB2 ALA 84 HB2 ALA 84 -0.114 -6.151 1.450 654 HB3 ALA 84 HB3 ALA 84 0.981 -5.503 0.227 655 H GLN 85 HN GLN 85 -2.809 -4.876 1.512 656 HA GLN 85 HA GLN 85 -4.363 -7.276 1.232 657 HB2 GLN 85 HB2 GLN 85 -4.989 -4.740 2.757 658 HB3 GLN 85 HB1 GLN 85 -5.826 -6.276 2.925 659 HG2 GLN 85 HG2 GLN 85 -2.950 -5.729 3.608 660 HG3 GLN 85 HG1 GLN 85 -4.278 -5.933 4.748 661 HE21 GLN 85 HE21 GLN 85 -1.794 -7.421 4.484 662 HE22 GLN 85 HE22 GLN 85 -2.244 -9.075 4.247 663 H GLN 86 HN GLN 86 -4.292 -4.246 -0.292 664 HA GLN 86 HA GLN 86 -7.067 -4.167 -1.048 665 HB2 GLN 86 HB2 GLN 86 -5.775 -2.089 -0.822 666 HB3 GLN 86 HB1 GLN 86 -4.686 -2.617 -2.097 667 HG2 GLN 86 HG2 GLN 86 -6.323 -0.966 -2.872 668 HG3 GLN 86 HG1 GLN 86 -6.467 -2.505 -3.720 669 HE21 GLN 86 HE21 GLN 86 -7.933 -0.351 -1.420 670 HE22 GLN 86 HE22 GLN 86 -9.491 -1.098 -1.415 671 H GLY 87 HN GLY 87 -7.884 -5.536 -2.464 672 HA2 GLY 87 HA2 GLY 87 -7.753 -6.044 -4.940 673 HA3 GLY 87 HA1 GLY 87 -6.118 -6.584 -4.589 674 H VAL 88 HN VAL 88 -7.071 -7.665 -1.956 675 HA VAL 88 HA VAL 88 -8.343 -10.097 -3.011 676 HB VAL 88 HB VAL 88 -7.446 -11.242 -0.971 677 HG11 VAL 88 HG11 VAL 88 -5.399 -9.989 -2.799 678 HG12 VAL 88 HG12 VAL 88 -6.340 -11.443 -3.134 679 HG13 VAL 88 HG13 VAL 88 -5.161 -11.438 -1.822 680 HG21 VAL 88 HG21 VAL 88 -5.587 -10.176 0.236 681 HG22 VAL 88 HG22 VAL 88 -7.105 -9.308 0.462 682 HG23 VAL 88 HG23 VAL 88 -5.885 -8.679 -0.646 683 HA PRO 89 HA PRO 89 -11.947 -8.887 -0.791 684 HB2 PRO 89 HB2 PRO 89 -13.204 -11.322 -0.774 685 HB3 PRO 89 HB1 PRO 89 -13.191 -10.223 -2.157 686 HG2 PRO 89 HG2 PRO 89 -11.507 -12.633 -1.634 687 HG3 PRO 89 HG1 PRO 89 -12.239 -12.084 -3.152 688 HD2 PRO 89 HD2 PRO 89 -9.626 -11.709 -2.586 689 HD3 PRO 89 HD1 PRO 89 -10.560 -10.552 -3.552 690 H GLY 90 HN GLY 90 -11.530 -8.430 1.285 691 HA2 GLY 90 HA2 GLY 90 -11.169 -10.687 3.156 692 HA3 GLY 90 HA1 GLY 90 -10.673 -9.027 3.472 693 HA PRO 91 HA PRO 91 -14.650 -8.655 5.552 694 HB2 PRO 91 HB2 PRO 91 -14.042 -5.775 5.519 695 HB3 PRO 91 HB1 PRO 91 -14.323 -6.841 6.898 696 HG2 PRO 91 HG2 PRO 91 -11.881 -5.859 6.333 697 HG3 PRO 91 HG1 PRO 91 -12.110 -7.471 7.033 698 HD2 PRO 91 HD2 PRO 91 -11.520 -6.698 4.201 699 HD3 PRO 91 HD1 PRO 91 -10.886 -8.054 5.156 700 H SER 92 HN SER 92 -16.439 -8.729 4.334 701 HA SER 92 HA SER 92 -16.529 -7.351 1.798 702 HB2 SER 92 HB2 SER 92 -18.693 -8.569 1.529 703 HB3 SER 92 HB1 SER 92 -17.339 -9.638 1.895 704 HG SER 92 HG SER 92 -18.798 -8.625 4.045 705 HA PRO 93 HA PRO 93 -18.699 -3.862 3.618 706 HB2 PRO 93 HB2 PRO 93 -19.011 -2.497 1.280 707 HB3 PRO 93 HB1 PRO 93 -17.511 -2.491 2.212 708 HG2 PRO 93 HG2 PRO 93 -18.232 -4.091 -0.209 709 HG3 PRO 93 HG1 PRO 93 -16.705 -3.280 0.183 710 HD2 PRO 93 HD2 PRO 93 -17.063 -5.944 0.495 711 HD3 PRO 93 HD1 PRO 93 -16.001 -4.993 1.553 712 H ASP 94 HN ASP 94 -19.699 -5.935 1.032 713 HA ASP 94 HA ASP 94 -22.493 -5.365 1.719 714 HB2 ASP 94 HB2 ASP 94 -23.077 -5.918 -0.668 715 HB3 ASP 94 HB1 ASP 94 -22.204 -4.409 -0.453 716 HA PRO 95 HA PRO 95 -21.699 -9.809 2.392 717 HB2 PRO 95 HB2 PRO 95 -22.682 -9.993 4.859 718 HB3 PRO 95 HB1 PRO 95 -21.111 -9.238 4.566 719 HG2 PRO 95 HG2 PRO 95 -23.760 -7.958 5.091 720 HG3 PRO 95 HG1 PRO 95 -22.154 -7.500 5.684 721 HD2 PRO 95 HD2 PRO 95 -23.466 -6.334 3.525 722 HD3 PRO 95 HD1 PRO 95 -21.723 -6.238 3.838 723 H LEU 96 HN LEU 96 -24.455 -7.960 1.967 724 HA LEU 96 HA LEU 96 -26.511 -9.684 2.816 725 HB2 LEU 96 HB2 LEU 96 -26.620 -7.721 0.525 726 HB3 LEU 96 HB1 LEU 96 -27.987 -8.369 1.409 727 HG LEU 96 HG LEU 96 -25.880 -6.533 2.560 728 HD11 LEU 96 HD11 LEU 96 -28.737 -5.984 1.778 729 HD12 LEU 96 HD12 LEU 96 -27.306 -5.424 0.916 730 HD13 LEU 96 HD13 LEU 96 -27.632 -4.846 2.549 731 HD21 LEU 96 HD21 LEU 96 -28.364 -7.763 3.732 732 HD22 LEU 96 HD22 LEU 96 -27.606 -6.322 4.401 733 HD23 LEU 96 HD23 LEU 96 -26.712 -7.836 4.349 734 H ASP 97 HN ASP 97 -24.837 -9.372 -0.274 735 HA ASP 97 HA ASP 97 -26.386 -11.241 -1.693 736 HB2 ASP 97 HB2 ASP 97 -23.556 -10.274 -2.073 737 HB3 ASP 97 HB1 ASP 97 -24.335 -11.394 -3.185 738 H ALA 98 HN ALA 98 -23.480 -11.606 0.273 739 HA ALA 98 HA ALA 98 -23.082 -14.353 -0.343 740 HB1 ALA 98 HB1 ALA 98 -22.109 -12.769 2.031 741 HB2 ALA 98 HB2 ALA 98 -21.272 -12.935 0.487 742 HB3 ALA 98 HB3 ALA 98 -21.507 -14.346 1.520 743 H GLN 99 HN GLN 99 -24.816 -12.619 2.160 744 HA GLN 99 HA GLN 99 -25.429 -14.877 3.775 745 HB2 GLN 99 HB2 GLN 99 -25.489 -12.474 4.515 746 HB3 GLN 99 HB1 GLN 99 -26.959 -12.277 3.572 747 HG2 GLN 99 HG2 GLN 99 -27.578 -12.608 5.839 748 HG3 GLN 99 HG1 GLN 99 -27.999 -14.069 4.946 749 HE21 GLN 99 HE21 GLN 99 -27.967 -15.363 6.756 750 HE22 GLN 99 HE22 GLN 99 -26.507 -15.797 7.572 751 H LEU 100 HN LEU 100 -27.256 -13.067 1.329 752 HA LEU 100 HA LEU 100 -29.388 -15.039 1.354 753 HB2 LEU 100 HB2 LEU 100 -28.986 -12.551 -0.311 754 HB3 LEU 100 HB1 LEU 100 -30.414 -13.565 -0.360 755 HG LEU 100 HG LEU 100 -29.474 -12.090 2.100 756 HD11 LEU 100 HD11 LEU 100 -30.105 -10.487 0.412 757 HD12 LEU 100 HD12 LEU 100 -31.368 -10.574 1.641 758 HD13 LEU 100 HD13 LEU 100 -31.595 -11.370 0.085 759 HD21 LEU 100 HD21 LEU 100 -30.804 -14.059 2.603 760 HD22 LEU 100 HD22 LEU 100 -32.043 -13.537 1.462 761 HD23 LEU 100 HD23 LEU 100 -31.735 -12.596 2.921 762 H ARG 101 HN ARG 101 -28.588 -16.894 0.529 763 HA ARG 101 HA ARG 101 -26.678 -17.091 -1.517 764 HB2 ARG 101 HB2 ARG 101 -28.691 -19.157 -0.621 765 HB3 ARG 101 HB1 ARG 101 -27.220 -19.473 -1.531 766 HG2 ARG 101 HG2 ARG 101 -25.874 -18.705 0.343 767 HG3 ARG 101 HG1 ARG 101 -27.337 -18.340 1.256 768 HD2 ARG 101 HD2 ARG 101 -26.447 -20.458 1.979 769 HD3 ARG 101 HD1 ARG 101 -27.969 -20.720 1.130 770 HE ARG 101 HE ARG 101 -25.546 -20.984 -0.454 771 HH11 ARG 101 HH11 ARG 101 -28.060 -22.568 1.389 772 HH12 ARG 101 HH12 ARG 101 -27.774 -24.128 0.691 773 HH21 ARG 101 HH21 ARG 101 -25.161 -23.038 -1.382 774 HH22 ARG 101 HH22 ARG 101 -26.118 -24.398 -0.889 775 H ASP 102 HN ASP 102 -30.199 -17.099 -1.601 776 HA ASP 102 HA ASP 102 -30.428 -17.906 -4.324 777 HB2 ASP 102 HB2 ASP 102 -32.754 -17.249 -4.153 778 HB3 ASP 102 HB1 ASP 102 -32.281 -18.091 -2.681 779 H LEU 103 HN LEU 103 -29.822 -14.905 -2.733 780 HA LEU 103 HA LEU 103 -30.306 -13.263 -5.053 781 HB2 LEU 103 HB2 LEU 103 -30.573 -12.320 -2.827 782 HB3 LEU 103 HB1 LEU 103 -28.914 -12.714 -2.429 783 HG LEU 103 HG LEU 103 -28.163 -11.100 -4.178 784 HD11 LEU 103 HD11 LEU 103 -31.085 -10.366 -4.257 785 HD12 LEU 103 HD12 LEU 103 -30.165 -11.113 -5.563 786 HD13 LEU 103 HD13 LEU 103 -29.774 -9.478 -5.034 787 HD21 LEU 103 HD21 LEU 103 -29.937 -9.983 -2.012 788 HD22 LEU 103 HD22 LEU 103 -28.664 -9.105 -2.859 789 HD23 LEU 103 HD23 LEU 103 -28.254 -10.474 -1.824 790 H ARG 104 HN ARG 104 -27.602 -14.800 -3.446 791 HA ARG 104 HA ARG 104 -25.525 -13.576 -4.924 792 HB2 ARG 104 HB2 ARG 104 -25.293 -14.778 -2.728 793 HB3 ARG 104 HB1 ARG 104 -25.479 -16.290 -3.603 794 HG2 ARG 104 HG2 ARG 104 -23.140 -15.791 -3.128 795 HG3 ARG 104 HG1 ARG 104 -23.457 -15.837 -4.863 796 HD2 ARG 104 HD2 ARG 104 -23.460 -13.445 -4.993 797 HD3 ARG 104 HD1 ARG 104 -23.385 -13.301 -3.237 798 HE ARG 104 HE ARG 104 -21.141 -14.535 -3.576 799 HH11 ARG 104 HH11 ARG 104 -22.490 -12.157 -5.772 800 HH12 ARG 104 HH12 ARG 104 -20.941 -11.582 -6.297 801 HH21 ARG 104 HH21 ARG 104 -19.104 -13.771 -4.265 802 HH22 ARG 104 HH22 ARG 104 -19.018 -12.498 -5.442 803 H GLN 105 HN GLN 105 -27.375 -16.545 -5.384 804 HA GLN 105 HA GLN 105 -25.910 -17.415 -7.666 805 HB2 GLN 105 HB2 GLN 105 -28.671 -18.131 -6.665 806 HB3 GLN 105 HB1 GLN 105 -27.892 -18.911 -8.035 807 HG2 GLN 105 HG2 GLN 105 -26.907 -18.903 -5.190 808 HG3 GLN 105 HG1 GLN 105 -27.647 -20.257 -6.043 809 HE21 GLN 105 HE21 GLN 105 -25.013 -20.044 -4.800 810 HE22 GLN 105 HE22 GLN 105 -23.871 -20.390 -6.050 811 H LEU 106 HN LEU 106 -25.750 -15.901 -9.217 812 HA LEU 106 HA LEU 106 -28.249 -14.837 -10.351 813 HB2 LEU 106 HB2 LEU 106 -26.823 -13.111 -9.322 814 HB3 LEU 106 HB1 LEU 106 -25.491 -13.601 -10.351 815 HG LEU 106 HG LEU 106 -26.808 -12.908 -12.336 816 HD11 LEU 106 HD11 LEU 106 -28.803 -11.534 -12.012 817 HD12 LEU 106 HD12 LEU 106 -28.748 -11.862 -10.281 818 HD13 LEU 106 HD13 LEU 106 -29.042 -13.176 -11.419 819 HD21 LEU 106 HD21 LEU 106 -26.566 -10.503 -11.972 820 HD22 LEU 106 HD22 LEU 106 -25.186 -11.391 -11.328 821 HD23 LEU 106 HD23 LEU 106 -26.427 -10.777 -10.236 Start of MODEL 6 1 H GLY -4 HT1 GLY -4 0.243 -29.708 -0.578 2 HA2 GLY -4 HA1 GLY -4 -0.487 -28.467 -2.496 3 HA3 GLY -4 HA2 GLY -4 -1.216 -27.837 -1.025 4 H ILE -3 HN ILE -3 -1.394 -26.048 -2.813 5 HA ILE -3 HA ILE -3 0.915 -24.485 -3.333 6 HB ILE -3 HB ILE -3 -0.669 -22.716 -4.047 7 HG12 ILE -3 HG12 ILE -3 -2.800 -24.710 -3.236 8 HG13 ILE -3 HG11 ILE -3 -2.457 -23.199 -2.402 9 HG21 ILE -3 HG21 ILE -3 -1.250 -25.479 -5.103 10 HG22 ILE -3 HG22 ILE -3 0.063 -24.418 -5.614 11 HG23 ILE -3 HG23 ILE -3 -1.612 -23.968 -5.935 12 HD11 ILE -3 HD11 ILE -3 -3.103 -21.954 -4.402 13 HD12 ILE -3 HD12 ILE -3 -4.407 -22.993 -3.825 14 HD13 ILE -3 HD13 ILE -3 -3.453 -23.473 -5.229 15 H ASP -2 HN ASP -2 1.668 -22.640 -2.358 16 HA ASP -2 HA ASP -2 0.687 -22.214 0.378 17 HB2 ASP -2 HB2 ASP -2 3.027 -22.929 0.210 18 HB3 ASP -2 HB1 ASP -2 3.377 -21.557 -0.838 19 HA PRO -1 HA PRO -1 -0.852 -18.407 -1.432 20 HB2 PRO -1 HB2 PRO -1 -2.236 -17.587 0.755 21 HB3 PRO -1 HB1 PRO -1 -2.838 -18.815 -0.363 22 HG2 PRO -1 HG2 PRO -1 -1.507 -19.159 2.294 23 HG3 PRO -1 HG1 PRO -1 -2.904 -20.020 1.620 24 HD2 PRO -1 HD2 PRO -1 -0.402 -21.070 1.645 25 HD3 PRO -1 HD1 PRO -1 -1.585 -21.441 0.373 26 H PHE 0 HN PHE 0 1.103 -18.816 1.381 27 HA PHE 0 HA PHE 0 1.314 -16.066 2.107 28 HB2 PHE 0 HB2 PHE 0 3.126 -18.384 2.804 29 HB3 PHE 0 HB1 PHE 0 3.113 -16.814 3.598 30 HD1 PHE 0 HD1 PHE 0 1.096 -16.121 4.899 31 HD2 PHE 0 HD2 PHE 0 1.604 -20.072 3.406 32 HE1 PHE 0 HE1 PHE 0 -0.604 -16.931 6.481 33 HE2 PHE 0 HE2 PHE 0 -0.097 -20.890 4.984 34 HZ PHE 0 HZ PHE 0 -1.225 -19.312 6.501 35 H THR 1 HN THR 1 3.496 -18.319 0.418 36 HA THR 1 HA THR 1 5.448 -16.354 -0.165 37 HB THR 1 HB THR 1 6.093 -18.054 -2.020 38 HG1 THR 1 HG1 THR 1 4.251 -19.601 -0.467 39 HG21 THR 1 HG21 THR 1 7.176 -19.496 -0.361 40 HG22 THR 1 HG22 THR 1 6.126 -18.840 0.894 41 HG23 THR 1 HG23 THR 1 7.298 -17.796 0.090 42 H LEU 2 HN LEU 2 2.608 -17.505 -1.931 43 HA LEU 2 HA LEU 2 3.031 -16.032 -4.297 44 HB2 LEU 2 HB2 LEU 2 0.406 -16.754 -2.986 45 HB3 LEU 2 HB1 LEU 2 0.603 -16.226 -4.642 46 HG LEU 2 HG LEU 2 1.713 -18.787 -3.489 47 HD11 LEU 2 HD11 LEU 2 -0.618 -18.301 -5.341 48 HD12 LEU 2 HD12 LEU 2 -0.709 -18.852 -3.667 49 HD13 LEU 2 HD13 LEU 2 0.031 -19.879 -4.894 50 HD21 LEU 2 HD21 LEU 2 1.710 -17.706 -6.305 51 HD22 LEU 2 HD22 LEU 2 2.200 -19.334 -5.841 52 HD23 LEU 2 HD23 LEU 2 3.119 -17.942 -5.269 53 H ASN 3 HN ASN 3 1.453 -15.230 -1.243 54 HA ASN 3 HA ASN 3 0.663 -12.610 -1.873 55 HB2 ASN 3 HB2 ASN 3 -0.132 -13.772 0.131 56 HB3 ASN 3 HB1 ASN 3 1.500 -13.786 0.791 57 HD21 ASN 3 HD21 ASN 3 -1.307 -11.873 0.126 58 HD22 ASN 3 HD22 ASN 3 -0.848 -10.497 1.066 59 H HIS 4 HN HIS 4 3.690 -13.947 -0.686 60 HA HIS 4 HA HIS 4 5.032 -11.528 -0.178 61 HB2 HIS 4 HB2 HIS 4 5.795 -13.760 0.603 62 HB3 HIS 4 HB1 HIS 4 6.224 -14.169 -1.053 63 HD1 HIS 4 HD1 HIS 4 8.481 -13.423 -1.878 64 HD2 HIS 4 HD2 HIS 4 7.454 -11.721 1.773 65 HE1 HIS 4 HE1 HIS 4 10.553 -12.256 -1.070 66 HE2 HIS 4 HE2 HIS 4 9.970 -11.451 1.242 67 H GLN 5 HN GLN 5 4.637 -13.437 -3.109 68 HA GLN 5 HA GLN 5 6.417 -12.003 -4.756 69 HB2 GLN 5 HB2 GLN 5 3.859 -13.428 -5.525 70 HB3 GLN 5 HB1 GLN 5 5.139 -12.953 -6.631 71 HG2 GLN 5 HG2 GLN 5 6.676 -14.483 -5.590 72 HG3 GLN 5 HG1 GLN 5 5.485 -14.888 -4.355 73 HE21 GLN 5 HE21 GLN 5 6.845 -16.634 -6.216 74 HE22 GLN 5 HE22 GLN 5 5.612 -17.421 -7.140 75 H VAL 6 HN VAL 6 2.903 -11.691 -4.304 76 HA VAL 6 HA VAL 6 2.550 -9.393 -5.886 77 HB VAL 6 HB VAL 6 0.944 -10.245 -3.465 78 HG11 VAL 6 HG11 VAL 6 0.191 -8.461 -5.778 79 HG12 VAL 6 HG12 VAL 6 0.498 -7.938 -4.123 80 HG13 VAL 6 HG13 VAL 6 -0.883 -8.974 -4.476 81 HG21 VAL 6 HG21 VAL 6 -0.545 -11.332 -5.095 82 HG22 VAL 6 HG22 VAL 6 1.073 -12.033 -5.096 83 HG23 VAL 6 HG23 VAL 6 0.592 -10.926 -6.383 84 H MET 7 HN MET 7 3.420 -9.830 -2.512 85 HA MET 7 HA MET 7 3.223 -7.152 -1.683 86 HB2 MET 7 HB2 MET 7 3.413 -9.033 -0.114 87 HB3 MET 7 HB1 MET 7 5.062 -9.319 -0.654 88 HG2 MET 7 HG2 MET 7 5.010 -8.114 1.455 89 HG3 MET 7 HG1 MET 7 5.735 -7.142 0.175 90 HE1 MET 7 HE1 MET 7 5.498 -4.810 1.122 91 HE2 MET 7 HE2 MET 7 5.062 -5.589 2.644 92 HE3 MET 7 HE3 MET 7 4.097 -4.245 2.032 93 H ASP 8 HN ASP 8 5.842 -8.957 -3.201 94 HA ASP 8 HA ASP 8 7.801 -6.924 -3.012 95 HB2 ASP 8 HB2 ASP 8 8.422 -9.219 -3.532 96 HB3 ASP 8 HB1 ASP 8 7.488 -9.162 -5.024 97 H GLN 9 HN GLN 9 5.300 -7.667 -5.354 98 HA GLN 9 HA GLN 9 6.048 -5.834 -7.354 99 HB2 GLN 9 HB2 GLN 9 3.294 -6.866 -6.664 100 HB3 GLN 9 HB1 GLN 9 3.748 -6.089 -8.174 101 HG2 GLN 9 HG2 GLN 9 5.220 -7.905 -8.723 102 HG3 GLN 9 HG1 GLN 9 4.933 -8.657 -7.155 103 HE21 GLN 9 HE21 GLN 9 4.500 -9.726 -9.819 104 HE22 GLN 9 HE22 GLN 9 2.827 -10.162 -9.891 105 H VAL 10 HN VAL 10 3.767 -5.518 -4.629 106 HA VAL 10 HA VAL 10 3.090 -2.828 -5.287 107 HB VAL 10 HB VAL 10 1.546 -4.194 -3.976 108 HG11 VAL 10 HG11 VAL 10 1.949 -4.752 -1.661 109 HG12 VAL 10 HG12 VAL 10 3.545 -4.006 -1.734 110 HG13 VAL 10 HG13 VAL 10 3.205 -5.452 -2.681 111 HG21 VAL 10 HG21 VAL 10 0.976 -2.553 -2.241 112 HG22 VAL 10 HG22 VAL 10 1.371 -1.784 -3.779 113 HG23 VAL 10 HG23 VAL 10 2.549 -1.786 -2.465 114 H PHE 11 HN PHE 11 5.500 -4.308 -3.165 115 HA PHE 11 HA PHE 11 6.357 -1.942 -1.912 116 HB2 PHE 11 HB2 PHE 11 7.073 -4.069 -1.023 117 HB3 PHE 11 HB1 PHE 11 7.893 -4.471 -2.530 118 HD1 PHE 11 HD1 PHE 11 7.876 -1.710 -0.013 119 HD2 PHE 11 HD2 PHE 11 10.171 -4.236 -2.554 120 HE1 PHE 11 HE1 PHE 11 9.945 -0.708 0.860 121 HE2 PHE 11 HE2 PHE 11 12.242 -3.233 -1.687 122 HZ PHE 11 HZ PHE 11 12.119 -1.390 -0.041 123 H ASP 12 HN ASP 12 7.410 -3.535 -4.893 124 HA ASP 12 HA ASP 12 9.502 -1.858 -5.606 125 HB2 ASP 12 HB2 ASP 12 9.029 -3.893 -6.839 126 HB3 ASP 12 HB1 ASP 12 7.481 -3.249 -7.374 127 H GLN 13 HN GLN 13 6.044 -1.396 -5.938 128 HA GLN 13 HA GLN 13 6.314 0.924 -7.595 129 HB2 GLN 13 HB2 GLN 13 4.354 -0.594 -7.691 130 HB3 GLN 13 HB1 GLN 13 3.891 -0.052 -6.084 131 HG2 GLN 13 HG2 GLN 13 3.167 1.973 -6.819 132 HG3 GLN 13 HG1 GLN 13 4.300 2.013 -8.170 133 HE21 GLN 13 HE21 GLN 13 3.781 0.952 -10.073 134 HE22 GLN 13 HE22 GLN 13 2.168 0.449 -10.437 135 H VAL 14 HN VAL 14 5.531 0.360 -4.153 136 HA VAL 14 HA VAL 14 5.203 3.113 -3.556 137 HB VAL 14 HB VAL 14 5.284 2.559 -1.229 138 HG11 VAL 14 HG11 VAL 14 3.962 0.329 -2.761 139 HG12 VAL 14 HG12 VAL 14 3.264 1.905 -2.396 140 HG13 VAL 14 HG13 VAL 14 3.617 0.773 -1.090 141 HG21 VAL 14 HG21 VAL 14 7.232 1.185 -1.084 142 HG22 VAL 14 HG22 VAL 14 6.486 -0.065 -2.077 143 HG23 VAL 14 HG23 VAL 14 5.866 0.258 -0.459 144 H GLU 15 HN GLU 15 7.992 0.979 -3.608 145 HA GLU 15 HA GLU 15 9.908 2.660 -2.455 146 HB2 GLU 15 HB2 GLU 15 10.361 0.319 -3.000 147 HB3 GLU 15 HB1 GLU 15 10.190 0.663 -4.715 148 HG2 GLU 15 HG2 GLU 15 12.145 2.212 -4.509 149 HG3 GLU 15 HG1 GLU 15 12.363 1.610 -2.865 150 H HIS 16 HN HIS 16 8.807 2.355 -5.797 151 HA HIS 16 HA HIS 16 10.467 4.321 -6.919 152 HB2 HIS 16 HB2 HIS 16 9.229 2.664 -8.258 153 HB3 HIS 16 HB1 HIS 16 7.711 3.428 -7.803 154 HD1 HIS 16 HD1 HIS 16 6.831 4.937 -9.542 155 HD2 HIS 16 HD2 HIS 16 10.978 4.687 -9.678 156 HE1 HIS 16 HE1 HIS 16 7.533 6.374 -11.482 157 HE2 HIS 16 HE2 HIS 16 10.026 6.057 -11.652 158 H GLN 17 HN GLN 17 7.254 4.504 -5.450 159 HA GLN 17 HA GLN 17 6.792 7.230 -6.055 160 HB2 GLN 17 HB2 GLN 17 5.648 5.566 -3.806 161 HB3 GLN 17 HB1 GLN 17 5.027 7.120 -4.345 162 HG2 GLN 17 HG2 GLN 17 5.086 4.556 -5.920 163 HG3 GLN 17 HG1 GLN 17 3.669 5.352 -5.239 164 HE21 GLN 17 HE21 GLN 17 2.838 7.177 -6.245 165 HE22 GLN 17 HE22 GLN 17 3.301 7.642 -7.842 166 H ILE 18 HN ILE 18 8.203 5.608 -3.235 167 HA ILE 18 HA ILE 18 8.650 7.864 -1.640 168 HB ILE 18 HB ILE 18 10.282 5.331 -1.907 169 HG12 ILE 18 HG12 ILE 18 8.288 6.211 0.194 170 HG13 ILE 18 HG11 ILE 18 7.950 5.070 -1.103 171 HG21 ILE 18 HG21 ILE 18 10.475 7.477 0.204 172 HG22 ILE 18 HG22 ILE 18 11.695 7.099 -1.011 173 HG23 ILE 18 HG23 ILE 18 11.305 5.922 0.243 174 HD11 ILE 18 HD11 ILE 18 9.961 4.683 1.103 175 HD12 ILE 18 HD12 ILE 18 9.602 3.534 -0.187 176 HD13 ILE 18 HD13 ILE 18 8.367 3.936 1.006 177 H ALA 19 HN ALA 19 10.632 6.392 -4.168 178 HA ALA 19 HA ALA 19 12.804 8.164 -4.025 179 HB1 ALA 19 HB1 ALA 19 12.889 6.011 -5.182 180 HB2 ALA 19 HB2 ALA 19 13.398 7.332 -6.232 181 HB3 ALA 19 HB3 ALA 19 11.792 6.632 -6.415 182 H GLN 20 HN GLN 20 9.683 8.436 -5.595 183 HA GLN 20 HA GLN 20 10.347 10.638 -7.266 184 HB2 GLN 20 HB2 GLN 20 7.649 9.820 -6.168 185 HB3 GLN 20 HB1 GLN 20 7.910 10.990 -7.452 186 HG2 GLN 20 HG2 GLN 20 8.454 8.036 -7.529 187 HG3 GLN 20 HG1 GLN 20 7.244 8.935 -8.441 188 HE21 GLN 20 HE21 GLN 20 10.579 8.070 -8.183 189 HE22 GLN 20 HE22 GLN 20 11.081 8.691 -9.719 190 H VAL 21 HN VAL 21 9.054 10.352 -3.992 191 HA VAL 21 HA VAL 21 8.650 13.129 -3.575 192 HB VAL 21 HB VAL 21 9.168 10.964 -1.522 193 HG11 VAL 21 HG11 VAL 21 7.956 13.710 -1.198 194 HG12 VAL 21 HG12 VAL 21 9.541 13.200 -0.615 195 HG13 VAL 21 HG13 VAL 21 8.079 12.481 0.061 196 HG21 VAL 21 HG21 VAL 21 6.573 12.071 -2.594 197 HG22 VAL 21 HG22 VAL 21 6.727 10.912 -1.274 198 HG23 VAL 21 HG23 VAL 21 7.228 10.462 -2.905 199 H LEU 22 HN LEU 22 11.345 10.935 -2.885 200 HA LEU 22 HA LEU 22 13.053 12.780 -1.644 201 HB2 LEU 22 HB2 LEU 22 13.792 10.435 -3.398 202 HB3 LEU 22 HB1 LEU 22 14.872 11.259 -2.290 203 HG LEU 22 HG LEU 22 12.410 9.708 -1.480 204 HD11 LEU 22 HD11 LEU 22 15.327 8.997 -1.232 205 HD12 LEU 22 HD12 LEU 22 14.187 8.278 -2.368 206 HD13 LEU 22 HD13 LEU 22 13.965 8.050 -0.634 207 HD21 LEU 22 HD21 LEU 22 12.917 11.522 0.063 208 HD22 LEU 22 HD22 LEU 22 14.591 10.979 0.172 209 HD23 LEU 22 HD23 LEU 22 13.291 9.961 0.793 210 H GLY 23 HN GLY 23 12.595 11.947 -5.047 211 HA2 GLY 23 HA2 GLY 23 14.609 13.646 -6.086 212 HA3 GLY 23 HA1 GLY 23 13.241 13.000 -6.982 213 H ALA 24 HN ALA 24 11.200 14.147 -5.351 214 HA ALA 24 HA ALA 24 10.939 16.689 -6.532 215 HB1 ALA 24 HB1 ALA 24 8.948 16.939 -5.149 216 HB2 ALA 24 HB2 ALA 24 9.441 15.559 -4.169 217 HB3 ALA 24 HB3 ALA 24 9.015 15.329 -5.865 218 H LYS 25 HN LYS 25 12.130 15.638 -3.405 219 HA LYS 25 HA LYS 25 12.371 18.299 -2.342 220 HB2 LYS 25 HB2 LYS 25 13.675 15.716 -1.454 221 HB3 LYS 25 HB1 LYS 25 13.693 17.223 -0.553 222 HG2 LYS 25 HG2 LYS 25 11.245 15.609 -1.232 223 HG3 LYS 25 HG1 LYS 25 12.052 15.663 0.335 224 HD2 LYS 25 HD2 LYS 25 11.622 18.130 0.373 225 HD3 LYS 25 HD1 LYS 25 10.638 17.917 -1.077 226 HE2 LYS 25 HE2 LYS 25 9.228 17.941 0.890 227 HE3 LYS 25 HE1 LYS 25 9.206 16.339 0.150 228 HZ1 LYS 25 HZ1 LYS 25 10.810 15.603 1.803 229 HZ2 LYS 25 HZ2 LYS 25 9.410 16.193 2.549 230 HZ3 LYS 25 HZ3 LYS 25 10.815 17.137 2.514 231 H GLY 26 HN GLY 26 14.187 16.290 -4.416 232 HA2 GLY 26 HA2 GLY 26 16.127 16.683 -5.587 233 HA3 GLY 26 HA1 GLY 26 16.189 18.284 -4.860 234 H GLY 27 HN GLY 27 15.916 15.484 -2.844 235 HA2 GLY 27 HA2 GLY 27 18.486 16.231 -1.660 236 HA3 GLY 27 HA1 GLY 27 17.221 15.296 -0.878 237 HA PRO 28 HA PRO 28 20.627 12.478 -2.513 238 HB2 PRO 28 HB2 PRO 28 21.048 11.779 0.294 239 HB3 PRO 28 HB1 PRO 28 22.219 12.337 -0.901 240 HG2 PRO 28 HG2 PRO 28 21.443 13.866 1.184 241 HG3 PRO 28 HG1 PRO 28 21.886 14.554 -0.390 242 HD2 PRO 28 HD2 PRO 28 19.164 14.043 0.756 243 HD3 PRO 28 HD1 PRO 28 19.756 15.448 -0.156 244 H LEU 29 HN LEU 29 20.338 10.301 -2.788 245 HA LEU 29 HA LEU 29 17.805 9.193 -2.128 246 HB2 LEU 29 HB2 LEU 29 19.044 8.627 -4.186 247 HB3 LEU 29 HB1 LEU 29 20.273 7.839 -3.219 248 HG LEU 29 HG LEU 29 18.568 6.207 -2.442 249 HD11 LEU 29 HD11 LEU 29 16.570 7.552 -2.739 250 HD12 LEU 29 HD12 LEU 29 16.447 6.060 -3.670 251 HD13 LEU 29 HD13 LEU 29 16.823 7.578 -4.484 252 HD21 LEU 29 HD21 LEU 29 18.456 4.960 -4.540 253 HD22 LEU 29 HD22 LEU 29 20.049 5.678 -4.301 254 HD23 LEU 29 HD23 LEU 29 18.911 6.412 -5.431 255 H VAL 30 HN VAL 30 17.218 7.867 -0.523 256 HA VAL 30 HA VAL 30 19.190 7.276 1.553 257 HB VAL 30 HB VAL 30 17.252 6.822 3.000 258 HG11 VAL 30 HG11 VAL 30 18.130 9.084 2.919 259 HG12 VAL 30 HG12 VAL 30 16.380 9.113 3.128 260 HG13 VAL 30 HG13 VAL 30 17.086 9.460 1.549 261 HG21 VAL 30 HG21 VAL 30 14.980 7.331 2.206 262 HG22 VAL 30 HG22 VAL 30 15.701 5.979 1.334 263 HG23 VAL 30 HG23 VAL 30 15.616 7.570 0.580 264 H ALA 31 HN ALA 31 18.730 5.147 2.755 265 HA ALA 31 HA ALA 31 18.611 2.997 0.787 266 HB1 ALA 31 HB1 ALA 31 19.278 2.916 3.732 267 HB2 ALA 31 HB2 ALA 31 20.444 2.992 2.412 268 HB3 ALA 31 HB3 ALA 31 19.420 1.569 2.603 269 H VAL 32 HN VAL 32 16.617 2.305 0.304 270 HA VAL 32 HA VAL 32 14.591 2.392 2.430 271 HB VAL 32 HB VAL 32 13.945 3.841 0.666 272 HG11 VAL 32 HG11 VAL 32 14.427 1.557 -1.242 273 HG12 VAL 32 HG12 VAL 32 15.381 3.035 -1.107 274 HG13 VAL 32 HG13 VAL 32 13.711 3.111 -1.671 275 HG21 VAL 32 HG21 VAL 32 12.134 2.500 1.587 276 HG22 VAL 32 HG22 VAL 32 12.422 1.253 0.374 277 HG23 VAL 32 HG23 VAL 32 11.848 2.847 -0.118 278 H GLU 33 HN GLU 33 14.346 0.480 3.352 279 HA GLU 33 HA GLU 33 13.885 -1.839 1.593 280 HB2 GLU 33 HB2 GLU 33 14.570 -1.763 4.542 281 HB3 GLU 33 HB1 GLU 33 14.166 -3.220 3.650 282 HG2 GLU 33 HG2 GLU 33 16.136 -2.892 2.238 283 HG3 GLU 33 HG1 GLU 33 16.543 -1.443 3.160 284 H ILE 34 HN ILE 34 12.190 -3.372 2.692 285 HA ILE 34 HA ILE 34 9.780 -1.877 2.994 286 HB ILE 34 HB ILE 34 9.847 -4.138 1.974 287 HG12 ILE 34 HG12 ILE 34 7.820 -5.022 3.085 288 HG13 ILE 34 HG11 ILE 34 8.082 -3.902 4.417 289 HG21 ILE 34 HG21 ILE 34 11.468 -5.180 3.454 290 HG22 ILE 34 HG22 ILE 34 9.976 -6.118 3.401 291 HG23 ILE 34 HG23 ILE 34 10.322 -5.091 4.792 292 HD11 ILE 34 HD11 ILE 34 6.374 -3.129 2.836 293 HD12 ILE 34 HD12 ILE 34 7.591 -3.096 1.561 294 HD13 ILE 34 HD13 ILE 34 7.739 -2.021 2.951 295 H ASP 35 HN ASP 35 12.167 -3.098 5.147 296 HA ASP 35 HA ASP 35 10.396 -2.937 7.467 297 HB2 ASP 35 HB2 ASP 35 11.823 -4.939 7.142 298 HB3 ASP 35 HB1 ASP 35 13.250 -3.918 7.258 299 H SER 36 HN SER 36 12.142 -0.813 5.775 300 HA SER 36 HA SER 36 13.667 0.464 7.831 301 HB2 SER 36 HB2 SER 36 12.777 1.549 5.149 302 HB3 SER 36 HB1 SER 36 14.057 2.205 6.170 303 HG SER 36 HG SER 36 15.199 0.252 5.872 304 H ARG 37 HN ARG 37 13.169 2.245 9.040 305 HA ARG 37 HA ARG 37 10.387 3.104 9.109 306 HB2 ARG 37 HB2 ARG 37 12.753 3.838 10.851 307 HB3 ARG 37 HB1 ARG 37 11.117 4.439 11.088 308 HG2 ARG 37 HG2 ARG 37 10.334 2.155 11.470 309 HG3 ARG 37 HG1 ARG 37 11.979 1.558 11.240 310 HD2 ARG 37 HD2 ARG 37 12.725 2.881 13.154 311 HD3 ARG 37 HD1 ARG 37 11.085 3.487 13.377 312 HE ARG 37 HE ARG 37 10.857 0.752 13.456 313 HH11 ARG 37 HH11 ARG 37 12.605 3.184 15.258 314 HH12 ARG 37 HH12 ARG 37 12.652 2.254 16.721 315 HH21 ARG 37 HH21 ARG 37 10.887 -0.474 15.377 316 HH22 ARG 37 HH22 ARG 37 11.658 0.170 16.794 317 H PHE 38 HN PHE 38 9.720 5.181 8.636 318 HA PHE 38 HA PHE 38 11.058 6.302 6.428 319 HB2 PHE 38 HB2 PHE 38 8.674 7.197 8.027 320 HB3 PHE 38 HB1 PHE 38 9.272 8.106 6.644 321 HD1 PHE 38 HD1 PHE 38 7.454 5.189 7.750 322 HD2 PHE 38 HD2 PHE 38 9.220 7.090 4.383 323 HE1 PHE 38 HE1 PHE 38 6.164 3.724 6.256 324 HE2 PHE 38 HE2 PHE 38 7.935 5.628 2.881 325 HZ PHE 38 HZ PHE 38 6.415 3.966 3.784 326 H SER 39 HN SER 39 11.387 6.930 9.773 327 HA SER 39 HA SER 39 12.326 9.588 9.666 328 HB2 SER 39 HB2 SER 39 11.707 8.457 11.780 329 HB3 SER 39 HB1 SER 39 13.091 7.379 11.601 330 HG SER 39 HG SER 39 14.447 9.003 12.054 331 H ASP 40 HN ASP 40 13.825 6.472 9.105 332 HA ASP 40 HA ASP 40 16.498 7.521 8.908 333 HB2 ASP 40 HB2 ASP 40 15.367 4.831 8.092 334 HB3 ASP 40 HB1 ASP 40 17.079 5.239 8.146 335 H LEU 41 HN LEU 41 13.801 7.456 6.928 336 HA LEU 41 HA LEU 41 15.361 7.558 4.450 337 HB2 LEU 41 HB2 LEU 41 12.455 7.109 5.043 338 HB3 LEU 41 HB1 LEU 41 12.955 7.641 3.452 339 HG LEU 41 HG LEU 41 14.356 5.615 3.229 340 HD11 LEU 41 HD11 LEU 41 13.101 4.795 5.840 341 HD12 LEU 41 HD12 LEU 41 14.802 5.185 5.583 342 HD13 LEU 41 HD13 LEU 41 14.092 3.774 4.797 343 HD21 LEU 41 HD21 LEU 41 12.509 4.036 2.957 344 HD22 LEU 41 HD22 LEU 41 12.100 5.637 2.341 345 HD23 LEU 41 HD23 LEU 41 11.465 5.101 3.897 346 H GLY 42 HN GLY 42 14.438 9.634 6.755 347 HA2 GLY 42 HA2 GLY 42 14.399 11.935 6.814 348 HA3 GLY 42 HA1 GLY 42 14.822 11.925 5.108 349 H LEU 43 HN LEU 43 11.992 10.322 6.391 350 HA LEU 43 HA LEU 43 10.316 12.356 5.080 351 HB2 LEU 43 HB2 LEU 43 9.927 9.371 5.263 352 HB3 LEU 43 HB1 LEU 43 8.705 10.481 4.673 353 HG LEU 43 HG LEU 43 11.430 10.258 3.406 354 HD11 LEU 43 HD11 LEU 43 8.903 8.761 2.746 355 HD12 LEU 43 HD12 LEU 43 10.455 8.079 3.237 356 HD13 LEU 43 HD13 LEU 43 10.298 8.884 1.677 357 HD21 LEU 43 HD21 LEU 43 10.198 12.299 2.921 358 HD22 LEU 43 HD22 LEU 43 8.793 11.349 2.436 359 HD23 LEU 43 HD23 LEU 43 10.282 11.267 1.492 360 H SER 44 HN SER 44 9.078 13.447 6.433 361 HA SER 44 HA SER 44 8.600 12.372 9.112 362 HB2 SER 44 HB2 SER 44 9.599 14.633 8.875 363 HB3 SER 44 HB1 SER 44 8.156 15.163 8.015 364 HG SER 44 HG SER 44 8.410 15.506 10.443 365 H SER 45 HN SER 45 6.324 13.598 9.901 366 HA SER 45 HA SER 45 4.318 11.915 8.912 367 HB2 SER 45 HB2 SER 45 4.294 12.977 11.157 368 HB3 SER 45 HB1 SER 45 3.971 14.533 10.396 369 HG SER 45 HG SER 45 2.155 13.057 11.238 370 H LEU 46 HN LEU 46 5.066 15.291 8.173 371 HA LEU 46 HA LEU 46 2.858 15.780 6.484 372 HB2 LEU 46 HB2 LEU 46 5.589 17.048 6.639 373 HB3 LEU 46 HB1 LEU 46 4.352 17.605 5.533 374 HG LEU 46 HG LEU 46 4.337 19.057 7.411 375 HD11 LEU 46 HD11 LEU 46 2.075 18.823 8.231 376 HD12 LEU 46 HD12 LEU 46 2.035 17.140 7.712 377 HD13 LEU 46 HD13 LEU 46 2.145 18.430 6.514 378 HD21 LEU 46 HD21 LEU 46 4.032 18.299 9.706 379 HD22 LEU 46 HD22 LEU 46 5.500 17.621 9.005 380 HD23 LEU 46 HD23 LEU 46 4.056 16.621 9.164 381 H ASP 47 HN ASP 47 6.087 14.531 5.900 382 HA ASP 47 HA ASP 47 5.859 14.494 3.063 383 HB2 ASP 47 HB2 ASP 47 7.697 12.849 4.813 384 HB3 ASP 47 HB1 ASP 47 7.896 13.174 3.094 385 H LEU 48 HN LEU 48 5.255 12.196 5.647 386 HA LEU 48 HA LEU 48 4.688 9.949 4.084 387 HB2 LEU 48 HB2 LEU 48 3.802 10.845 6.802 388 HB3 LEU 48 HB1 LEU 48 3.114 9.401 6.084 389 HG LEU 48 HG LEU 48 6.067 9.823 6.549 390 HD11 LEU 48 HD11 LEU 48 5.799 8.223 8.386 391 HD12 LEU 48 HD12 LEU 48 4.053 8.224 8.130 392 HD13 LEU 48 HD13 LEU 48 4.868 9.694 8.669 393 HD21 LEU 48 HD21 LEU 48 4.445 7.423 5.706 394 HD22 LEU 48 HD22 LEU 48 6.158 7.389 6.123 395 HD23 LEU 48 HD23 LEU 48 5.611 8.306 4.721 396 H ALA 49 HN ALA 49 2.487 12.460 5.332 397 HA ALA 49 HA ALA 49 0.128 11.508 4.193 398 HB1 ALA 49 HB1 ALA 49 0.945 14.382 4.628 399 HB2 ALA 49 HB2 ALA 49 0.181 13.330 5.818 400 HB3 ALA 49 HB3 ALA 49 -0.702 13.806 4.368 401 H THR 50 HN THR 50 2.666 13.516 2.826 402 HA THR 50 HA THR 50 1.419 13.987 0.327 403 HB THR 50 HB THR 50 4.380 13.957 0.944 404 HG1 THR 50 HG1 THR 50 3.557 15.411 2.363 405 HG21 THR 50 HG21 THR 50 2.783 15.426 -1.158 406 HG22 THR 50 HG22 THR 50 3.872 14.068 -1.440 407 HG23 THR 50 HG23 THR 50 4.514 15.606 -0.872 408 H LEU 51 HN LEU 51 3.758 11.571 1.457 409 HA LEU 51 HA LEU 51 4.156 10.256 -0.998 410 HB2 LEU 51 HB2 LEU 51 5.662 9.947 0.866 411 HB3 LEU 51 HB1 LEU 51 4.375 9.270 1.844 412 HG LEU 51 HG LEU 51 4.256 7.338 0.291 413 HD11 LEU 51 HD11 LEU 51 5.127 8.392 -1.711 414 HD12 LEU 51 HD12 LEU 51 6.097 6.983 -1.286 415 HD13 LEU 51 HD13 LEU 51 6.698 8.603 -0.938 416 HD21 LEU 51 HD21 LEU 51 5.562 7.229 2.351 417 HD22 LEU 51 HD22 LEU 51 6.972 7.852 1.495 418 HD23 LEU 51 HD23 LEU 51 6.305 6.276 1.067 419 H ILE 52 HN ILE 52 1.903 9.618 1.665 420 HA ILE 52 HA ILE 52 0.740 7.296 0.611 421 HB ILE 52 HB ILE 52 -0.518 9.382 2.407 422 HG12 ILE 52 HG12 ILE 52 0.889 6.780 3.059 423 HG13 ILE 52 HG11 ILE 52 1.549 8.391 3.313 424 HG21 ILE 52 HG21 ILE 52 -2.063 7.608 3.078 425 HG22 ILE 52 HG22 ILE 52 -1.338 6.525 1.891 426 HG23 ILE 52 HG23 ILE 52 -2.205 7.966 1.356 427 HD11 ILE 52 HD11 ILE 52 -0.209 8.861 4.932 428 HD12 ILE 52 HD12 ILE 52 0.719 7.430 5.383 429 HD13 ILE 52 HD13 ILE 52 -0.884 7.254 4.667 430 H SER 53 HN SER 53 0.010 10.708 0.107 431 HA SER 53 HA SER 53 -2.318 10.292 -1.465 432 HB2 SER 53 HB2 SER 53 -0.426 12.653 -1.431 433 HB3 SER 53 HB1 SER 53 -2.061 12.647 -2.092 434 HG SER 53 HG SER 53 -1.218 12.490 0.601 435 H ASN 54 HN ASN 54 1.114 10.532 -2.202 436 HA ASN 54 HA ASN 54 0.895 10.615 -5.015 437 HB2 ASN 54 HB2 ASN 54 3.054 10.001 -3.070 438 HB3 ASN 54 HB1 ASN 54 3.271 9.394 -4.708 439 HD21 ASN 54 HD21 ASN 54 2.987 12.241 -2.717 440 HD22 ASN 54 HD22 ASN 54 3.591 13.355 -3.901 441 H LEU 55 HN LEU 55 0.820 7.991 -2.708 442 HA LEU 55 HA LEU 55 0.843 5.973 -4.793 443 HB2 LEU 55 HB2 LEU 55 1.896 5.633 -2.545 444 HB3 LEU 55 HB1 LEU 55 0.291 5.659 -1.841 445 HG LEU 55 HG LEU 55 -0.287 3.677 -3.257 446 HD11 LEU 55 HD11 LEU 55 2.673 3.706 -3.823 447 HD12 LEU 55 HD12 LEU 55 1.378 3.950 -4.996 448 HD13 LEU 55 HD13 LEU 55 1.571 2.385 -4.208 449 HD21 LEU 55 HD21 LEU 55 0.310 3.430 -0.915 450 HD22 LEU 55 HD22 LEU 55 2.020 3.365 -1.342 451 HD23 LEU 55 HD23 LEU 55 0.932 2.078 -1.860 452 H GLU 56 HN GLU 56 -1.407 7.658 -2.750 453 HA GLU 56 HA GLU 56 -3.705 6.136 -2.950 454 HB2 GLU 56 HB2 GLU 56 -3.480 8.143 -1.550 455 HB3 GLU 56 HB1 GLU 56 -3.442 9.148 -2.991 456 HG2 GLU 56 HG2 GLU 56 -5.749 8.078 -3.486 457 HG3 GLU 56 HG1 GLU 56 -5.733 7.689 -1.766 458 H ALA 57 HN ALA 57 -2.526 8.651 -5.160 459 HA ALA 57 HA ALA 57 -4.749 8.539 -6.910 460 HB1 ALA 57 HB1 ALA 57 -3.322 10.504 -6.739 461 HB2 ALA 57 HB2 ALA 57 -3.393 9.918 -8.400 462 HB3 ALA 57 HB3 ALA 57 -1.971 9.592 -7.411 463 H VAL 58 HN VAL 58 -2.243 6.357 -6.463 464 HA VAL 58 HA VAL 58 -2.125 5.475 -9.226 465 HB VAL 58 HB VAL 58 -0.854 4.252 -6.768 466 HG11 VAL 58 HG11 VAL 58 -0.335 3.754 -9.697 467 HG12 VAL 58 HG12 VAL 58 -1.139 2.647 -8.583 468 HG13 VAL 58 HG13 VAL 58 0.564 3.048 -8.354 469 HG21 VAL 58 HG21 VAL 58 -0.015 6.500 -7.187 470 HG22 VAL 58 HG22 VAL 58 0.321 6.073 -8.865 471 HG23 VAL 58 HG23 VAL 58 1.218 5.295 -7.562 472 H TYR 59 HN TYR 59 -3.332 4.262 -6.103 473 HA TYR 59 HA TYR 59 -4.488 1.960 -7.499 474 HB2 TYR 59 HB2 TYR 59 -4.176 2.509 -4.546 475 HB3 TYR 59 HB1 TYR 59 -4.924 1.065 -5.220 476 HD1 TYR 59 HD1 TYR 59 -3.224 0.185 -7.321 477 HD2 TYR 59 HD2 TYR 59 -2.127 2.006 -3.639 478 HE1 TYR 59 HE1 TYR 59 -1.022 -0.901 -7.445 479 HE2 TYR 59 HE2 TYR 59 0.076 0.928 -3.753 480 HH TYR 59 HH TYR 59 1.024 -1.167 -4.838 481 H GLY 60 HN GLY 60 -5.421 4.964 -6.178 482 HA2 GLY 60 HA2 GLY 60 -7.490 5.978 -6.087 483 HA3 GLY 60 HA1 GLY 60 -8.168 4.554 -6.867 484 H THR 61 HN THR 61 -6.296 4.224 -3.994 485 HA THR 61 HA THR 61 -8.565 3.058 -2.629 486 HB THR 61 HB THR 61 -6.749 2.586 -0.867 487 HG1 THR 61 HG1 THR 61 -5.194 4.065 -1.540 488 HG21 THR 61 HG21 THR 61 -7.564 0.872 -2.392 489 HG22 THR 61 HG22 THR 61 -5.819 0.724 -2.196 490 HG23 THR 61 HG23 THR 61 -6.483 1.455 -3.657 491 H ASP 62 HN ASP 62 -8.805 3.533 -0.260 492 HA ASP 62 HA ASP 62 -9.056 6.413 0.071 493 HB2 ASP 62 HB2 ASP 62 -9.975 4.301 2.020 494 HB3 ASP 62 HB1 ASP 62 -10.581 5.942 1.834 495 HA PRO 63 HA PRO 63 -5.246 6.444 2.401 496 HB2 PRO 63 HB2 PRO 63 -5.548 8.985 3.401 497 HB3 PRO 63 HB1 PRO 63 -4.917 8.621 1.792 498 HG2 PRO 63 HG2 PRO 63 -7.674 9.445 2.608 499 HG3 PRO 63 HG1 PRO 63 -6.718 9.959 1.204 500 HD2 PRO 63 HD2 PRO 63 -8.686 8.140 0.991 501 HD3 PRO 63 HD1 PRO 63 -7.209 8.040 0.008 502 H PHE 64 HN PHE 64 -5.167 5.307 4.215 503 HA PHE 64 HA PHE 64 -7.284 5.502 6.175 504 HB2 PHE 64 HB2 PHE 64 -6.216 3.570 7.224 505 HB3 PHE 64 HB1 PHE 64 -6.417 3.303 5.497 506 HD1 PHE 64 HD1 PHE 64 -4.061 3.677 8.223 507 HD2 PHE 64 HD2 PHE 64 -4.465 3.380 4.000 508 HE1 PHE 64 HE1 PHE 64 -1.665 3.159 8.037 509 HE2 PHE 64 HE2 PHE 64 -2.070 2.862 3.804 510 HZ PHE 64 HZ PHE 64 -0.668 2.752 5.825 511 H ALA 65 HN ALA 65 -4.557 7.240 5.672 512 HA ALA 65 HA ALA 65 -3.263 7.299 8.161 513 HB1 ALA 65 HB1 ALA 65 -2.294 9.408 7.420 514 HB2 ALA 65 HB2 ALA 65 -3.484 9.510 6.123 515 HB3 ALA 65 HB3 ALA 65 -2.283 8.219 6.117 516 H ASP 66 HN ASP 66 -6.199 8.777 7.068 517 HA ASP 66 HA ASP 66 -6.282 10.636 9.313 518 HB2 ASP 66 HB2 ASP 66 -6.967 11.320 6.998 519 HB3 ASP 66 HB1 ASP 66 -8.318 10.200 7.116 520 H ALA 67 HN ALA 67 -7.194 7.470 8.655 521 HA ALA 67 HA ALA 67 -9.481 7.571 10.504 522 HB1 ALA 67 HB1 ALA 67 -9.986 6.707 8.271 523 HB2 ALA 67 HB2 ALA 67 -10.213 5.474 9.513 524 HB3 ALA 67 HB3 ALA 67 -8.776 5.442 8.491 525 H VAL 68 HN VAL 68 -6.464 5.856 9.821 526 HA VAL 68 HA VAL 68 -6.749 4.406 12.368 527 HB VAL 68 HB VAL 68 -4.685 3.792 10.263 528 HG11 VAL 68 HG11 VAL 68 -5.962 2.125 12.428 529 HG12 VAL 68 HG12 VAL 68 -4.327 2.786 12.443 530 HG13 VAL 68 HG13 VAL 68 -4.766 1.549 11.267 531 HG21 VAL 68 HG21 VAL 68 -6.893 3.740 9.189 532 HG22 VAL 68 HG22 VAL 68 -7.454 2.612 10.422 533 HG23 VAL 68 HG23 VAL 68 -6.174 2.134 9.307 534 H ALA 69 HN ALA 69 -5.704 7.212 11.567 535 HA ALA 69 HA ALA 69 -4.249 8.731 12.351 536 HB1 ALA 69 HB1 ALA 69 -3.115 8.321 14.417 537 HB2 ALA 69 HB2 ALA 69 -3.307 6.580 14.224 538 HB3 ALA 69 HB3 ALA 69 -4.721 7.598 14.485 539 H ILE 70 HN ILE 70 -2.275 9.512 11.843 540 HA ILE 70 HA ILE 70 -0.808 8.022 9.908 541 HB ILE 70 HB ILE 70 -1.127 10.442 9.701 542 HG12 ILE 70 HG12 ILE 70 1.232 11.070 9.163 543 HG13 ILE 70 HG11 ILE 70 1.765 9.591 9.955 544 HG21 ILE 70 HG21 ILE 70 0.676 10.642 12.106 545 HG22 ILE 70 HG22 ILE 70 -1.029 11.087 12.022 546 HG23 ILE 70 HG23 ILE 70 0.167 11.997 11.099 547 HD11 ILE 70 HD11 ILE 70 1.696 9.343 7.540 548 HD12 ILE 70 HD12 ILE 70 -0.021 9.744 7.539 549 HD13 ILE 70 HD13 ILE 70 0.541 8.268 8.322 550 H THR 71 HN THR 71 -0.523 8.439 13.303 551 HA THR 71 HA THR 71 2.254 7.917 13.582 552 HB THR 71 HB THR 71 1.550 7.218 15.949 553 HG1 THR 71 HG1 THR 71 -0.875 8.521 15.510 554 HG21 THR 71 HG21 THR 71 2.429 9.430 15.467 555 HG22 THR 71 HG22 THR 71 1.085 9.558 16.604 556 HG23 THR 71 HG23 THR 71 0.846 9.964 14.904 557 H SER 72 HN SER 72 -0.346 5.941 12.686 558 HA SER 72 HA SER 72 0.508 3.471 13.788 559 HB2 SER 72 HB2 SER 72 -1.792 3.896 12.944 560 HB3 SER 72 HB1 SER 72 -1.154 3.963 11.303 561 HG SER 72 HG SER 72 -1.170 1.743 13.072 562 H ILE 73 HN ILE 73 1.570 5.378 11.143 563 HA ILE 73 HA ILE 73 2.818 3.214 9.698 564 HB ILE 73 HB ILE 73 3.195 6.195 9.351 565 HG12 ILE 73 HG12 ILE 73 0.847 5.562 9.033 566 HG13 ILE 73 HG11 ILE 73 1.586 6.001 7.498 567 HG21 ILE 73 HG21 ILE 73 3.998 5.599 7.110 568 HG22 ILE 73 HG22 ILE 73 3.833 3.891 7.513 569 HG23 ILE 73 HG23 ILE 73 5.000 4.892 8.377 570 HD11 ILE 73 HD11 ILE 73 1.853 3.625 6.968 571 HD12 ILE 73 HD12 ILE 73 0.168 4.069 7.238 572 HD13 ILE 73 HD13 ILE 73 1.066 3.210 8.490 573 H VAL 74 HN VAL 74 4.322 2.254 11.015 574 HA VAL 74 HA VAL 74 6.395 3.915 12.223 575 HB VAL 74 HB VAL 74 6.089 0.911 12.331 576 HG11 VAL 74 HG11 VAL 74 8.358 1.652 12.773 577 HG12 VAL 74 HG12 VAL 74 7.604 1.077 14.260 578 HG13 VAL 74 HG13 VAL 74 7.769 2.808 13.966 579 HG21 VAL 74 HG21 VAL 74 5.246 2.984 14.355 580 HG22 VAL 74 HG22 VAL 74 5.151 1.235 14.560 581 HG23 VAL 74 HG23 VAL 74 4.161 2.035 13.340 582 H THR 75 HN THR 75 6.170 1.114 10.033 583 HA THR 75 HA THR 75 8.732 1.981 8.852 584 HB THR 75 HB THR 75 9.083 -0.376 8.180 585 HG1 THR 75 HG1 THR 75 6.619 -0.687 9.555 586 HG21 THR 75 HG21 THR 75 9.596 -1.251 10.436 587 HG22 THR 75 HG22 THR 75 8.684 0.087 11.134 588 HG23 THR 75 HG23 THR 75 10.146 0.407 10.202 589 H VAL 76 HN VAL 76 8.930 0.975 6.526 590 HA VAL 76 HA VAL 76 6.900 2.044 4.892 591 HB VAL 76 HB VAL 76 8.949 -0.059 4.144 592 HG11 VAL 76 HG11 VAL 76 8.647 0.761 1.857 593 HG12 VAL 76 HG12 VAL 76 7.382 1.855 2.418 594 HG13 VAL 76 HG13 VAL 76 7.145 0.110 2.516 595 HG21 VAL 76 HG21 VAL 76 9.101 2.952 4.003 596 HG22 VAL 76 HG22 VAL 76 10.279 1.844 3.300 597 HG23 VAL 76 HG23 VAL 76 10.054 1.897 5.047 598 H ALA 77 HN ALA 77 7.495 -1.145 6.186 599 HA ALA 77 HA ALA 77 5.743 -2.704 4.728 600 HB1 ALA 77 HB1 ALA 77 7.354 -3.581 6.360 601 HB2 ALA 77 HB2 ALA 77 5.732 -4.222 6.619 602 HB3 ALA 77 HB3 ALA 77 6.356 -2.950 7.670 603 H ASP 78 HN ASP 78 5.076 -0.688 7.564 604 HA ASP 78 HA ASP 78 2.452 -1.513 8.043 605 HB2 ASP 78 HB2 ASP 78 3.710 1.203 8.482 606 HB3 ASP 78 HB1 ASP 78 2.151 0.713 9.133 607 H LEU 79 HN LEU 79 3.685 1.048 5.949 608 HA LEU 79 HA LEU 79 1.102 1.924 5.104 609 HB2 LEU 79 HB2 LEU 79 3.030 3.417 5.091 610 HB3 LEU 79 HB1 LEU 79 3.847 2.386 3.934 611 HG LEU 79 HG LEU 79 2.119 2.920 2.253 612 HD11 LEU 79 HD11 LEU 79 0.256 3.374 3.750 613 HD12 LEU 79 HD12 LEU 79 0.546 4.745 2.682 614 HD13 LEU 79 HD13 LEU 79 1.080 4.809 4.362 615 HD21 LEU 79 HD21 LEU 79 3.435 5.332 3.499 616 HD22 LEU 79 HD22 LEU 79 2.817 5.225 1.850 617 HD23 LEU 79 HD23 LEU 79 4.180 4.222 2.347 618 H ALA 80 HN ALA 80 3.634 -0.087 3.654 619 HA ALA 80 HA ALA 80 2.334 -0.409 1.161 620 HB1 ALA 80 HB1 ALA 80 4.740 -0.694 1.428 621 HB2 ALA 80 HB2 ALA 80 4.001 -2.135 0.726 622 HB3 ALA 80 HB3 ALA 80 4.465 -2.122 2.428 623 H ARG 81 HN ARG 81 2.553 -2.557 4.008 624 HA ARG 81 HA ARG 81 1.105 -4.675 2.800 625 HB2 ARG 81 HB2 ARG 81 1.675 -4.053 5.698 626 HB3 ARG 81 HB1 ARG 81 0.864 -5.517 5.161 627 HG2 ARG 81 HG2 ARG 81 2.832 -6.135 3.856 628 HG3 ARG 81 HG1 ARG 81 3.644 -4.662 4.386 629 HD2 ARG 81 HD2 ARG 81 4.375 -6.585 5.689 630 HD3 ARG 81 HD1 ARG 81 3.523 -5.421 6.701 631 HE ARG 81 HE ARG 81 1.561 -7.125 6.018 632 HH11 ARG 81 HH11 ARG 81 4.780 -7.664 7.293 633 HH12 ARG 81 HH12 ARG 81 4.332 -9.108 8.147 634 HH21 ARG 81 HH21 ARG 81 0.973 -9.015 7.136 635 HH22 ARG 81 HH22 ARG 81 2.169 -9.885 8.044 636 H ALA 82 HN ALA 82 0.133 -1.766 4.388 637 HA ALA 82 HA ALA 82 -2.494 -2.474 5.093 638 HB1 ALA 82 HB1 ALA 82 -1.415 0.206 4.225 639 HB2 ALA 82 HB2 ALA 82 -1.454 -0.417 5.874 640 HB3 ALA 82 HB3 ALA 82 -2.961 -0.067 5.028 641 H TYR 83 HN TYR 83 -1.239 -0.895 2.155 642 HA TYR 83 HA TYR 83 -3.785 -1.117 0.837 643 HB2 TYR 83 HB2 TYR 83 -1.087 -0.186 -0.134 644 HB3 TYR 83 HB1 TYR 83 -2.529 -0.206 -1.145 645 HD1 TYR 83 HD1 TYR 83 -0.539 1.902 0.643 646 HD2 TYR 83 HD2 TYR 83 -4.652 0.891 0.274 647 HE1 TYR 83 HE1 TYR 83 -1.154 4.119 1.513 648 HE2 TYR 83 HE2 TYR 83 -5.279 3.105 1.141 649 HH TYR 83 HH TYR 83 -4.277 4.886 2.543 650 H ALA 84 HN ALA 84 -0.943 -3.055 1.087 651 HA ALA 84 HA ALA 84 -1.216 -4.586 -1.264 652 HB1 ALA 84 HB1 ALA 84 0.788 -4.611 0.184 653 HB2 ALA 84 HB2 ALA 84 0.186 -6.227 -0.186 654 HB3 ALA 84 HB3 ALA 84 -0.131 -5.509 1.393 655 H GLN 85 HN GLN 85 -2.871 -4.652 1.792 656 HA GLN 85 HA GLN 85 -4.169 -7.180 1.308 657 HB2 GLN 85 HB2 GLN 85 -4.605 -5.020 3.370 658 HB3 GLN 85 HB1 GLN 85 -5.543 -6.506 3.312 659 HG2 GLN 85 HG2 GLN 85 -3.611 -7.829 3.747 660 HG3 GLN 85 HG1 GLN 85 -2.551 -6.431 3.574 661 HE21 GLN 85 HE21 GLN 85 -2.417 -4.943 5.213 662 HE22 GLN 85 HE22 GLN 85 -3.038 -5.243 6.802 663 H GLN 86 HN GLN 86 -4.616 -4.005 0.251 664 HA GLN 86 HA GLN 86 -7.493 -4.273 -0.114 665 HB2 GLN 86 HB2 GLN 86 -5.691 -2.033 -1.053 666 HB3 GLN 86 HB1 GLN 86 -7.443 -2.003 -0.936 667 HG2 GLN 86 HG2 GLN 86 -5.492 -2.122 1.350 668 HG3 GLN 86 HG1 GLN 86 -6.470 -0.739 0.867 669 HE21 GLN 86 HE21 GLN 86 -8.691 -0.762 1.291 670 HE22 GLN 86 HE22 GLN 86 -9.385 -1.842 2.452 671 H GLY 87 HN GLY 87 -8.200 -5.401 -1.815 672 HA2 GLY 87 HA2 GLY 87 -8.426 -5.328 -4.254 673 HA3 GLY 87 HA1 GLY 87 -6.681 -5.149 -4.336 674 H VAL 88 HN VAL 88 -7.047 -7.304 -1.947 675 HA VAL 88 HA VAL 88 -6.401 -9.520 -3.652 676 HB VAL 88 HB VAL 88 -6.264 -10.847 -1.557 677 HG11 VAL 88 HG11 VAL 88 -4.779 -8.225 -1.507 678 HG12 VAL 88 HG12 VAL 88 -4.311 -9.669 -2.405 679 HG13 VAL 88 HG13 VAL 88 -4.313 -9.688 -0.642 680 HG21 VAL 88 HG21 VAL 88 -7.972 -9.702 -0.244 681 HG22 VAL 88 HG22 VAL 88 -6.979 -8.245 -0.204 682 HG23 VAL 88 HG23 VAL 88 -6.427 -9.711 0.606 683 HA PRO 89 HA PRO 89 -10.636 -10.814 -4.275 684 HB2 PRO 89 HB2 PRO 89 -9.369 -13.336 -5.143 685 HB3 PRO 89 HB1 PRO 89 -10.451 -12.259 -6.030 686 HG2 PRO 89 HG2 PRO 89 -7.834 -12.419 -6.606 687 HG3 PRO 89 HG1 PRO 89 -8.732 -10.897 -6.739 688 HD2 PRO 89 HD2 PRO 89 -6.844 -11.806 -4.612 689 HD3 PRO 89 HD1 PRO 89 -7.066 -10.190 -5.312 690 H GLY 90 HN GLY 90 -11.648 -11.252 -2.405 691 HA2 GLY 90 HA2 GLY 90 -10.673 -13.315 -0.616 692 HA3 GLY 90 HA1 GLY 90 -12.060 -12.269 -0.350 693 HA PRO 91 HA PRO 91 -14.687 -15.651 -1.555 694 HB2 PRO 91 HB2 PRO 91 -16.813 -14.327 -2.580 695 HB3 PRO 91 HB1 PRO 91 -16.465 -14.350 -0.848 696 HG2 PRO 91 HG2 PRO 91 -15.861 -12.230 -2.871 697 HG3 PRO 91 HG1 PRO 91 -16.508 -12.058 -1.230 698 HD2 PRO 91 HD2 PRO 91 -13.899 -11.634 -1.829 699 HD3 PRO 91 HD1 PRO 91 -14.432 -12.257 -0.256 700 H SER 92 HN SER 92 -15.679 -16.642 -3.461 701 HA SER 92 HA SER 92 -14.067 -16.500 -5.745 702 HB2 SER 92 HB2 SER 92 -15.372 -18.500 -5.108 703 HB3 SER 92 HB1 SER 92 -16.861 -17.639 -5.499 704 HG SER 92 HG SER 92 -15.450 -19.075 -7.129 705 HA PRO 93 HA PRO 93 -15.961 -12.844 -7.547 706 HB2 PRO 93 HB2 PRO 93 -14.079 -13.322 -9.739 707 HB3 PRO 93 HB1 PRO 93 -14.186 -11.947 -8.640 708 HG2 PRO 93 HG2 PRO 93 -12.162 -13.711 -8.514 709 HG3 PRO 93 HG1 PRO 93 -12.820 -12.930 -7.064 710 HD2 PRO 93 HD2 PRO 93 -13.344 -15.683 -8.139 711 HD3 PRO 93 HD1 PRO 93 -13.040 -15.163 -6.465 712 H ASP 94 HN ASP 94 -16.030 -16.019 -8.601 713 HA ASP 94 HA ASP 94 -17.700 -15.321 -10.922 714 HB2 ASP 94 HB2 ASP 94 -15.699 -16.559 -11.583 715 HB3 ASP 94 HB1 ASP 94 -16.093 -17.834 -10.434 716 HA PRO 95 HA PRO 95 -21.004 -16.749 -8.313 717 HB2 PRO 95 HB2 PRO 95 -22.481 -16.836 -10.876 718 HB3 PRO 95 HB1 PRO 95 -22.866 -15.974 -9.385 719 HG2 PRO 95 HG2 PRO 95 -21.968 -14.672 -11.533 720 HG3 PRO 95 HG1 PRO 95 -21.477 -14.197 -9.896 721 HD2 PRO 95 HD2 PRO 95 -19.958 -15.740 -11.958 722 HD3 PRO 95 HD1 PRO 95 -19.388 -14.500 -10.823 723 H LEU 96 HN LEU 96 -20.049 -18.333 -11.273 724 HA LEU 96 HA LEU 96 -21.649 -20.677 -10.855 725 HB2 LEU 96 HB2 LEU 96 -19.237 -20.329 -12.638 726 HB3 LEU 96 HB1 LEU 96 -20.414 -21.621 -12.730 727 HG LEU 96 HG LEU 96 -21.082 -18.721 -13.237 728 HD11 LEU 96 HD11 LEU 96 -19.469 -19.456 -14.883 729 HD12 LEU 96 HD12 LEU 96 -21.067 -19.339 -15.621 730 HD13 LEU 96 HD13 LEU 96 -20.407 -20.916 -15.189 731 HD21 LEU 96 HD21 LEU 96 -22.573 -21.303 -13.674 732 HD22 LEU 96 HD22 LEU 96 -23.035 -19.776 -14.419 733 HD23 LEU 96 HD23 LEU 96 -23.051 -19.936 -12.666 734 H ASP 97 HN ASP 97 -18.228 -19.858 -10.470 735 HA ASP 97 HA ASP 97 -17.403 -22.334 -9.384 736 HB2 ASP 97 HB2 ASP 97 -15.823 -20.673 -10.260 737 HB3 ASP 97 HB1 ASP 97 -16.258 -19.560 -8.971 738 H ALA 98 HN ALA 98 -18.872 -19.491 -7.980 739 HA ALA 98 HA ALA 98 -18.504 -20.209 -5.258 740 HB1 ALA 98 HB1 ALA 98 -20.593 -18.440 -6.516 741 HB2 ALA 98 HB2 ALA 98 -19.011 -17.926 -5.931 742 HB3 ALA 98 HB3 ALA 98 -20.219 -18.527 -4.796 743 H GLN 99 HN GLN 99 -20.864 -21.051 -7.685 744 HA GLN 99 HA GLN 99 -22.620 -22.394 -5.825 745 HB2 GLN 99 HB2 GLN 99 -22.485 -22.358 -8.842 746 HB3 GLN 99 HB1 GLN 99 -23.665 -23.299 -7.944 747 HG2 GLN 99 HG2 GLN 99 -23.362 -20.309 -7.799 748 HG3 GLN 99 HG1 GLN 99 -24.558 -21.169 -8.768 749 HE21 GLN 99 HE21 GLN 99 -24.950 -19.254 -6.621 750 HE22 GLN 99 HE22 GLN 99 -25.894 -20.057 -5.419 751 H LEU 100 HN LEU 100 -20.313 -23.360 -8.341 752 HA LEU 100 HA LEU 100 -20.420 -26.131 -7.471 753 HB2 LEU 100 HB2 LEU 100 -20.303 -25.507 -9.881 754 HB3 LEU 100 HB1 LEU 100 -18.714 -24.828 -9.600 755 HG LEU 100 HG LEU 100 -17.864 -27.058 -9.005 756 HD11 LEU 100 HD11 LEU 100 -19.249 -29.036 -9.421 757 HD12 LEU 100 HD12 LEU 100 -20.637 -27.994 -9.728 758 HD13 LEU 100 HD13 LEU 100 -19.905 -28.039 -8.125 759 HD21 LEU 100 HD21 LEU 100 -17.939 -28.015 -11.246 760 HD22 LEU 100 HD22 LEU 100 -17.726 -26.266 -11.314 761 HD23 LEU 100 HD23 LEU 100 -19.304 -26.975 -11.653 762 H ARG 101 HN ARG 101 -19.664 -24.756 -5.390 763 HA ARG 101 HA ARG 101 -16.838 -24.350 -5.178 764 HB2 ARG 101 HB2 ARG 101 -18.313 -23.027 -3.809 765 HB3 ARG 101 HB1 ARG 101 -19.051 -24.468 -3.130 766 HG2 ARG 101 HG2 ARG 101 -16.906 -25.028 -2.055 767 HG3 ARG 101 HG1 ARG 101 -16.230 -23.521 -2.681 768 HD2 ARG 101 HD2 ARG 101 -17.831 -22.232 -1.438 769 HD3 ARG 101 HD1 ARG 101 -18.661 -23.693 -0.915 770 HE ARG 101 HE ARG 101 -15.992 -23.843 -0.074 771 HH11 ARG 101 HH11 ARG 101 -18.872 -21.960 0.525 772 HH12 ARG 101 HH12 ARG 101 -18.484 -21.637 2.184 773 HH21 ARG 101 HH21 ARG 101 -15.451 -23.408 2.114 774 HH22 ARG 101 HH22 ARG 101 -16.532 -22.468 3.092 775 H ASP 102 HN ASP 102 -19.118 -26.746 -3.896 776 HA ASP 102 HA ASP 102 -16.863 -28.438 -3.123 777 HB2 ASP 102 HB2 ASP 102 -19.802 -28.649 -2.451 778 HB3 ASP 102 HB1 ASP 102 -18.562 -29.761 -1.888 779 H LEU 103 HN LEU 103 -20.093 -28.978 -4.470 780 HA LEU 103 HA LEU 103 -19.289 -30.141 -6.871 781 HB2 LEU 103 HB2 LEU 103 -18.364 -31.923 -5.441 782 HB3 LEU 103 HB1 LEU 103 -19.946 -32.169 -4.728 783 HG LEU 103 HG LEU 103 -20.808 -32.851 -6.953 784 HD11 LEU 103 HD11 LEU 103 -19.210 -33.394 -8.723 785 HD12 LEU 103 HD12 LEU 103 -17.911 -32.682 -7.765 786 HD13 LEU 103 HD13 LEU 103 -19.224 -31.667 -8.362 787 HD21 LEU 103 HD21 LEU 103 -18.435 -34.421 -5.959 788 HD22 LEU 103 HD22 LEU 103 -19.744 -35.040 -6.967 789 HD23 LEU 103 HD23 LEU 103 -20.076 -34.509 -5.319 790 H ARG 104 HN ARG 104 -21.668 -31.044 -4.372 791 HA ARG 104 HA ARG 104 -23.868 -29.834 -5.691 792 HB2 ARG 104 HB2 ARG 104 -25.036 -31.899 -6.389 793 HB3 ARG 104 HB1 ARG 104 -23.557 -31.638 -7.298 794 HG2 ARG 104 HG2 ARG 104 -22.427 -33.243 -5.726 795 HG3 ARG 104 HG1 ARG 104 -24.029 -33.617 -5.087 796 HD2 ARG 104 HD2 ARG 104 -24.760 -34.294 -7.318 797 HD3 ARG 104 HD1 ARG 104 -23.165 -33.912 -7.958 798 HE ARG 104 HE ARG 104 -23.465 -35.950 -5.861 799 HH11 ARG 104 HH11 ARG 104 -22.525 -35.048 -9.109 800 HH12 ARG 104 HH12 ARG 104 -21.761 -36.565 -9.450 801 HH21 ARG 104 HH21 ARG 104 -22.467 -37.972 -6.318 802 HH22 ARG 104 HH22 ARG 104 -21.723 -38.224 -7.866 803 H GLN 105 HN GLN 105 -25.949 -31.392 -4.807 804 HA GLN 105 HA GLN 105 -27.162 -32.053 -3.000 805 HB2 GLN 105 HB2 GLN 105 -25.190 -33.639 -2.736 806 HB3 GLN 105 HB1 GLN 105 -24.539 -32.503 -1.566 807 HG2 GLN 105 HG2 GLN 105 -26.551 -32.805 -0.187 808 HG3 GLN 105 HG1 GLN 105 -27.148 -33.990 -1.348 809 HE21 GLN 105 HE21 GLN 105 -26.526 -34.321 1.462 810 HE22 GLN 105 HE22 GLN 105 -25.322 -35.561 1.553 811 H LEU 106 HN LEU 106 -26.559 -29.342 -3.428 812 HA LEU 106 HA LEU 106 -26.299 -28.279 -0.698 813 HB2 LEU 106 HB2 LEU 106 -24.658 -27.414 -2.293 814 HB3 LEU 106 HB1 LEU 106 -25.948 -26.899 -3.361 815 HG LEU 106 HG LEU 106 -26.718 -25.313 -1.613 816 HD11 LEU 106 HD11 LEU 106 -24.201 -26.176 -0.196 817 HD12 LEU 106 HD12 LEU 106 -25.855 -26.448 0.352 818 HD13 LEU 106 HD13 LEU 106 -25.217 -24.808 0.257 819 HD21 LEU 106 HD21 LEU 106 -23.847 -25.022 -2.476 820 HD22 LEU 106 HD22 LEU 106 -24.883 -23.716 -1.905 821 HD23 LEU 106 HD23 LEU 106 -25.268 -24.555 -3.409 Start of MODEL 7 1 H GLY -4 HT1 GLY -4 -2.544 -30.505 -5.398 2 HA2 GLY -4 HA1 GLY -4 -3.514 -28.307 -5.566 3 HA3 GLY -4 HA2 GLY -4 -2.298 -28.390 -4.300 4 H ILE -3 HN ILE -3 -2.463 -25.993 -4.700 5 HA ILE -3 HA ILE -3 -0.474 -25.233 -6.727 6 HB ILE -3 HB ILE -3 -1.589 -23.129 -7.153 7 HG12 ILE -3 HG12 ILE -3 -2.668 -22.957 -4.864 8 HG13 ILE -3 HG11 ILE -3 -3.668 -22.450 -6.218 9 HG21 ILE -3 HG21 ILE -3 -2.187 -25.001 -8.573 10 HG22 ILE -3 HG22 ILE -3 -3.560 -23.914 -8.366 11 HG23 ILE -3 HG23 ILE -3 -3.498 -25.436 -7.477 12 HD11 ILE -3 HD11 ILE -3 -4.960 -23.708 -4.607 13 HD12 ILE -3 HD12 ILE -3 -3.860 -25.075 -4.758 14 HD13 ILE -3 HD13 ILE -3 -4.855 -24.590 -6.129 15 H ASP -2 HN ASP -2 0.598 -23.142 -6.198 16 HA ASP -2 HA ASP -2 1.076 -22.990 -3.325 17 HB2 ASP -2 HB2 ASP -2 3.160 -21.786 -4.030 18 HB3 ASP -2 HB1 ASP -2 3.062 -23.450 -4.568 19 HA PRO -1 HA PRO -1 -1.548 -19.322 -3.909 20 HB2 PRO -1 HB2 PRO -1 -1.812 -19.449 -0.992 21 HB3 PRO -1 HB1 PRO -1 -3.060 -19.575 -2.232 22 HG2 PRO -1 HG2 PRO -1 -2.306 -21.691 -0.759 23 HG3 PRO -1 HG1 PRO -1 -2.796 -21.853 -2.455 24 HD2 PRO -1 HD2 PRO -1 -0.038 -21.784 -1.280 25 HD3 PRO -1 HD1 PRO -1 -0.700 -22.850 -2.538 26 H PHE 0 HN PHE 0 0.955 -19.706 -1.442 27 HA PHE 0 HA PHE 0 0.952 -17.039 -0.542 28 HB2 PHE 0 HB2 PHE 0 1.916 -18.879 0.761 29 HB3 PHE 0 HB1 PHE 0 3.185 -19.074 -0.442 30 HD1 PHE 0 HD1 PHE 0 1.736 -16.511 1.836 31 HD2 PHE 0 HD2 PHE 0 5.194 -18.003 -0.143 32 HE1 PHE 0 HE1 PHE 0 3.127 -14.885 3.048 33 HE2 PHE 0 HE2 PHE 0 6.591 -16.380 1.064 34 HZ PHE 0 HZ PHE 0 5.538 -14.777 2.627 35 H THR 1 HN THR 1 2.473 -18.563 -3.267 36 HA THR 1 HA THR 1 4.526 -16.760 -3.785 37 HB THR 1 HB THR 1 2.915 -18.129 -5.925 38 HG1 THR 1 HG1 THR 1 3.953 -20.024 -5.411 39 HG21 THR 1 HG21 THR 1 4.739 -16.672 -6.650 40 HG22 THR 1 HG22 THR 1 5.117 -18.362 -6.979 41 HG23 THR 1 HG23 THR 1 5.856 -17.544 -5.604 42 H LEU 2 HN LEU 2 1.111 -16.707 -4.746 43 HA LEU 2 HA LEU 2 1.301 -14.397 -6.379 44 HB2 LEU 2 HB2 LEU 2 -0.575 -15.998 -6.501 45 HB3 LEU 2 HB1 LEU 2 -1.095 -15.497 -4.903 46 HG LEU 2 HG LEU 2 -1.466 -13.196 -5.804 47 HD11 LEU 2 HD11 LEU 2 0.038 -13.279 -7.705 48 HD12 LEU 2 HD12 LEU 2 -1.605 -12.921 -8.237 49 HD13 LEU 2 HD13 LEU 2 -0.942 -14.540 -8.450 50 HD21 LEU 2 HD21 LEU 2 -3.314 -14.743 -5.550 51 HD22 LEU 2 HD22 LEU 2 -2.984 -15.428 -7.141 52 HD23 LEU 2 HD23 LEU 2 -3.530 -13.758 -6.996 53 H ASN 3 HN ASN 3 0.557 -14.927 -2.983 54 HA ASN 3 HA ASN 3 -0.160 -12.323 -2.267 55 HB2 ASN 3 HB2 ASN 3 0.968 -14.655 -0.768 56 HB3 ASN 3 HB1 ASN 3 0.862 -13.090 0.032 57 HD21 ASN 3 HD21 ASN 3 -1.123 -12.237 0.522 58 HD22 ASN 3 HD22 ASN 3 -2.585 -13.163 0.457 59 H HIS 4 HN HIS 4 3.024 -13.901 -2.177 60 HA HIS 4 HA HIS 4 4.343 -11.554 -1.235 61 HB2 HIS 4 HB2 HIS 4 5.125 -13.967 -0.957 62 HB3 HIS 4 HB1 HIS 4 5.673 -13.877 -2.628 63 HD1 HIS 4 HD1 HIS 4 8.049 -13.222 -2.862 64 HD2 HIS 4 HD2 HIS 4 6.365 -11.724 0.633 65 HE1 HIS 4 HE1 HIS 4 9.924 -12.070 -1.641 66 HE2 HIS 4 HE2 HIS 4 8.851 -11.053 0.400 67 H GLN 5 HN GLN 5 3.601 -12.865 -4.387 68 HA GLN 5 HA GLN 5 5.373 -11.285 -5.911 69 HB2 GLN 5 HB2 GLN 5 4.209 -13.248 -6.835 70 HB3 GLN 5 HB1 GLN 5 2.674 -12.401 -6.699 71 HG2 GLN 5 HG2 GLN 5 3.568 -10.677 -8.254 72 HG3 GLN 5 HG1 GLN 5 4.990 -11.690 -8.480 73 HE21 GLN 5 HE21 GLN 5 4.592 -11.939 -10.664 74 HE22 GLN 5 HE22 GLN 5 3.298 -12.921 -11.265 75 H VAL 6 HN VAL 6 1.915 -10.811 -5.141 76 HA VAL 6 HA VAL 6 1.812 -8.257 -6.383 77 HB VAL 6 HB VAL 6 -0.206 -9.634 -6.038 78 HG11 VAL 6 HG11 VAL 6 -1.300 -9.699 -3.852 79 HG12 VAL 6 HG12 VAL 6 0.101 -8.906 -3.133 80 HG13 VAL 6 HG13 VAL 6 0.263 -10.518 -3.830 81 HG21 VAL 6 HG21 VAL 6 -1.704 -7.812 -5.341 82 HG22 VAL 6 HG22 VAL 6 -0.466 -7.271 -6.474 83 HG23 VAL 6 HG23 VAL 6 -0.306 -6.908 -4.755 84 H MET 7 HN MET 7 2.600 -9.358 -3.155 85 HA MET 7 HA MET 7 2.586 -6.862 -1.849 86 HB2 MET 7 HB2 MET 7 2.786 -8.962 -0.613 87 HB3 MET 7 HB1 MET 7 4.339 -9.284 -1.370 88 HG2 MET 7 HG2 MET 7 4.649 -8.486 0.885 89 HG3 MET 7 HG1 MET 7 5.282 -7.314 -0.271 90 HE1 MET 7 HE1 MET 7 5.363 -5.352 1.452 91 HE2 MET 7 HE2 MET 7 4.876 -6.505 2.694 92 HE3 MET 7 HE3 MET 7 4.041 -4.958 2.551 93 H ASP 8 HN ASP 8 5.118 -8.589 -3.625 94 HA ASP 8 HA ASP 8 7.143 -6.661 -3.374 95 HB2 ASP 8 HB2 ASP 8 7.537 -8.961 -4.181 96 HB3 ASP 8 HB1 ASP 8 6.651 -8.589 -5.654 97 H GLN 9 HN GLN 9 4.527 -7.042 -5.695 98 HA GLN 9 HA GLN 9 5.226 -5.040 -7.516 99 HB2 GLN 9 HB2 GLN 9 3.424 -6.690 -7.880 100 HB3 GLN 9 HB1 GLN 9 2.461 -5.902 -6.641 101 HG2 GLN 9 HG2 GLN 9 2.405 -3.864 -7.998 102 HG3 GLN 9 HG1 GLN 9 3.334 -4.687 -9.250 103 HE21 GLN 9 HE21 GLN 9 0.258 -4.402 -7.688 104 HE22 GLN 9 HE22 GLN 9 -0.642 -5.335 -8.830 105 H VAL 10 HN VAL 10 3.110 -4.879 -4.671 106 HA VAL 10 HA VAL 10 2.603 -2.113 -4.786 107 HB VAL 10 HB VAL 10 2.565 -3.987 -2.408 108 HG11 VAL 10 HG11 VAL 10 1.148 -2.314 -1.317 109 HG12 VAL 10 HG12 VAL 10 1.392 -1.221 -2.679 110 HG13 VAL 10 HG13 VAL 10 2.757 -1.677 -1.660 111 HG21 VAL 10 HG21 VAL 10 0.136 -4.001 -2.781 112 HG22 VAL 10 HG22 VAL 10 1.021 -4.641 -4.164 113 HG23 VAL 10 HG23 VAL 10 0.361 -3.006 -4.220 114 H PHE 11 HN PHE 11 5.040 -3.994 -3.016 115 HA PHE 11 HA PHE 11 6.190 -1.837 -1.641 116 HB2 PHE 11 HB2 PHE 11 6.643 -4.150 -1.006 117 HB3 PHE 11 HB1 PHE 11 7.479 -4.424 -2.532 118 HD1 PHE 11 HD1 PHE 11 7.599 -2.378 0.560 119 HD2 PHE 11 HD2 PHE 11 9.757 -4.014 -2.720 120 HE1 PHE 11 HE1 PHE 11 9.708 -1.662 1.599 121 HE2 PHE 11 HE2 PHE 11 11.873 -3.304 -1.686 122 HZ PHE 11 HZ PHE 11 11.846 -2.060 0.439 123 H ASP 12 HN ASP 12 7.044 -3.303 -4.768 124 HA ASP 12 HA ASP 12 9.270 -1.705 -5.335 125 HB2 ASP 12 HB2 ASP 12 8.784 -3.664 -6.669 126 HB3 ASP 12 HB1 ASP 12 7.260 -2.969 -7.210 127 H GLN 13 HN GLN 13 5.837 -1.162 -5.908 128 HA GLN 13 HA GLN 13 6.139 1.214 -7.416 129 HB2 GLN 13 HB2 GLN 13 4.091 -0.124 -7.474 130 HB3 GLN 13 HB1 GLN 13 3.794 0.235 -5.781 131 HG2 GLN 13 HG2 GLN 13 2.390 1.583 -7.225 132 HG3 GLN 13 HG1 GLN 13 3.510 2.592 -6.313 133 HE21 GLN 13 HE21 GLN 13 5.175 3.640 -7.393 134 HE22 GLN 13 HE22 GLN 13 5.197 3.815 -9.114 135 H VAL 14 HN VAL 14 5.491 0.644 -3.946 136 HA VAL 14 HA VAL 14 5.414 3.431 -3.339 137 HB VAL 14 HB VAL 14 5.450 2.826 -0.997 138 HG11 VAL 14 HG11 VAL 14 3.346 2.580 -2.189 139 HG12 VAL 14 HG12 VAL 14 3.489 1.377 -0.907 140 HG13 VAL 14 HG13 VAL 14 3.754 0.911 -2.587 141 HG21 VAL 14 HG21 VAL 14 6.109 0.040 -1.924 142 HG22 VAL 14 HG22 VAL 14 5.644 0.471 -0.280 143 HG23 VAL 14 HG23 VAL 14 7.137 1.108 -0.971 144 H GLU 15 HN GLU 15 7.935 0.977 -3.313 145 HA GLU 15 HA GLU 15 10.011 2.405 -2.112 146 HB2 GLU 15 HB2 GLU 15 10.131 0.016 -2.693 147 HB3 GLU 15 HB1 GLU 15 10.122 0.423 -4.401 148 HG2 GLU 15 HG2 GLU 15 12.261 1.684 -3.992 149 HG3 GLU 15 HG1 GLU 15 12.285 0.945 -2.391 150 H HIS 16 HN HIS 16 9.048 2.210 -5.513 151 HA HIS 16 HA HIS 16 10.965 3.989 -6.550 152 HB2 HIS 16 HB2 HIS 16 9.498 2.362 -7.833 153 HB3 HIS 16 HB1 HIS 16 8.185 3.512 -7.643 154 HD1 HIS 16 HD1 HIS 16 10.520 2.504 -10.059 155 HD2 HIS 16 HD2 HIS 16 9.161 6.215 -8.763 156 HE1 HIS 16 HE1 HIS 16 11.016 4.102 -11.937 157 HE2 HIS 16 HE2 HIS 16 9.997 6.288 -11.206 158 H GLN 17 HN GLN 17 7.758 4.474 -5.184 159 HA GLN 17 HA GLN 17 7.499 7.186 -5.937 160 HB2 GLN 17 HB2 GLN 17 5.718 5.431 -5.176 161 HB3 GLN 17 HB1 GLN 17 6.121 5.994 -3.558 162 HG2 GLN 17 HG2 GLN 17 4.248 7.237 -4.260 163 HG3 GLN 17 HG1 GLN 17 5.647 8.305 -4.356 164 HE21 GLN 17 HE21 GLN 17 3.295 6.508 -6.165 165 HE22 GLN 17 HE22 GLN 17 3.591 7.255 -7.695 166 H ILE 18 HN ILE 18 8.557 5.553 -2.964 167 HA ILE 18 HA ILE 18 9.013 7.813 -1.378 168 HB ILE 18 HB ILE 18 10.470 5.163 -1.409 169 HG12 ILE 18 HG12 ILE 18 8.330 6.195 0.462 170 HG13 ILE 18 HG11 ILE 18 8.017 5.133 -0.908 171 HG21 ILE 18 HG21 ILE 18 11.865 6.866 -0.361 172 HG22 ILE 18 HG22 ILE 18 11.255 5.727 0.839 173 HG23 ILE 18 HG23 ILE 18 10.526 7.326 0.691 174 HD11 ILE 18 HD11 ILE 18 9.739 4.481 1.473 175 HD12 ILE 18 HD12 ILE 18 9.422 3.415 0.105 176 HD13 ILE 18 HD13 ILE 18 8.104 3.892 1.174 177 H ALA 19 HN ALA 19 11.199 6.079 -3.572 178 HA ALA 19 HA ALA 19 13.455 7.696 -3.254 179 HB1 ALA 19 HB1 ALA 19 14.195 6.799 -5.395 180 HB2 ALA 19 HB2 ALA 19 12.564 6.219 -5.729 181 HB3 ALA 19 HB3 ALA 19 13.489 5.531 -4.395 182 H GLN 20 HN GLN 20 10.663 8.017 -5.381 183 HA GLN 20 HA GLN 20 11.549 10.224 -6.873 184 HB2 GLN 20 HB2 GLN 20 9.648 8.930 -7.599 185 HB3 GLN 20 HB1 GLN 20 8.765 9.316 -6.132 186 HG2 GLN 20 HG2 GLN 20 7.898 10.593 -7.977 187 HG3 GLN 20 HG1 GLN 20 8.672 11.668 -6.817 188 HE21 GLN 20 HE21 GLN 20 8.072 11.991 -9.675 189 HE22 GLN 20 HE22 GLN 20 9.581 12.383 -10.427 190 H VAL 21 HN VAL 21 9.689 10.045 -3.851 191 HA VAL 21 HA VAL 21 9.312 12.822 -3.547 192 HB VAL 21 HB VAL 21 9.447 10.685 -1.410 193 HG11 VAL 21 HG11 VAL 21 9.790 12.882 -0.431 194 HG12 VAL 21 HG12 VAL 21 8.186 12.276 -0.018 195 HG13 VAL 21 HG13 VAL 21 8.370 13.500 -1.273 196 HG21 VAL 21 HG21 VAL 21 6.980 10.801 -1.515 197 HG22 VAL 21 HG22 VAL 21 7.703 10.239 -3.022 198 HG23 VAL 21 HG23 VAL 21 7.114 11.896 -2.892 199 H LEU 22 HN LEU 22 11.852 10.648 -2.360 200 HA LEU 22 HA LEU 22 13.331 12.537 -0.903 201 HB2 LEU 22 HB2 LEU 22 14.269 10.088 -2.399 202 HB3 LEU 22 HB1 LEU 22 15.262 11.001 -1.281 203 HG LEU 22 HG LEU 22 12.718 9.548 -0.552 204 HD11 LEU 22 HD11 LEU 22 15.605 8.850 -0.043 205 HD12 LEU 22 HD12 LEU 22 14.497 7.996 -1.116 206 HD13 LEU 22 HD13 LEU 22 14.212 8.000 0.624 207 HD21 LEU 22 HD21 LEU 22 13.079 11.477 0.866 208 HD22 LEU 22 HD22 LEU 22 14.753 10.995 1.141 209 HD23 LEU 22 HD23 LEU 22 13.435 10.002 1.763 210 H GLY 23 HN GLY 23 13.544 11.552 -4.300 211 HA2 GLY 23 HA2 GLY 23 15.701 13.265 -4.976 212 HA3 GLY 23 HA1 GLY 23 14.574 12.527 -6.105 213 H ALA 24 HN ALA 24 12.197 13.679 -5.020 214 HA ALA 24 HA ALA 24 12.158 16.158 -6.358 215 HB1 ALA 24 HB1 ALA 24 10.164 14.776 -6.093 216 HB2 ALA 24 HB2 ALA 24 9.897 16.400 -5.460 217 HB3 ALA 24 HB3 ALA 24 10.191 15.059 -4.353 218 H LYS 25 HN LYS 25 12.580 15.285 -2.979 219 HA LYS 25 HA LYS 25 12.522 18.011 -2.065 220 HB2 LYS 25 HB2 LYS 25 13.426 15.472 -0.705 221 HB3 LYS 25 HB1 LYS 25 13.384 17.044 0.076 222 HG2 LYS 25 HG2 LYS 25 11.049 15.455 -0.953 223 HG3 LYS 25 HG1 LYS 25 11.441 15.837 0.724 224 HD2 LYS 25 HD2 LYS 25 11.223 18.282 0.043 225 HD3 LYS 25 HD1 LYS 25 10.463 17.684 -1.432 226 HE2 LYS 25 HE2 LYS 25 9.524 17.363 1.406 227 HE3 LYS 25 HE1 LYS 25 8.716 18.197 0.083 228 HZ1 LYS 25 HZ1 LYS 25 8.645 15.924 -1.019 229 HZ2 LYS 25 HZ2 LYS 25 7.607 16.180 0.288 230 HZ3 LYS 25 HZ3 LYS 25 9.027 15.290 0.507 231 H GLY 26 HN GLY 26 14.768 16.186 -3.722 232 HA2 GLY 26 HA2 GLY 26 16.955 16.602 -4.301 233 HA3 GLY 26 HA1 GLY 26 16.833 18.127 -3.435 234 H GLY 27 HN GLY 27 16.089 15.128 -1.856 235 HA2 GLY 27 HA2 GLY 27 18.317 15.629 -0.022 236 HA3 GLY 27 HA1 GLY 27 16.915 14.619 0.305 237 HA PRO 28 HA PRO 28 20.771 12.148 -1.081 238 HB2 PRO 28 HB2 PRO 28 20.617 11.066 1.661 239 HB3 PRO 28 HB1 PRO 28 22.024 11.629 0.754 240 HG2 PRO 28 HG2 PRO 28 21.018 13.045 2.792 241 HG3 PRO 28 HG1 PRO 28 21.694 13.837 1.357 242 HD2 PRO 28 HD2 PRO 28 18.831 13.378 2.099 243 HD3 PRO 28 HD1 PRO 28 19.590 14.806 1.365 244 H LEU 29 HN LEU 29 20.127 10.444 -2.217 245 HA LEU 29 HA LEU 29 17.742 9.007 -1.623 246 HB2 LEU 29 HB2 LEU 29 18.500 9.283 -3.918 247 HB3 LEU 29 HB1 LEU 29 19.978 8.411 -3.561 248 HG LEU 29 HG LEU 29 18.631 6.373 -3.117 249 HD11 LEU 29 HD11 LEU 29 16.291 6.327 -3.856 250 HD12 LEU 29 HD12 LEU 29 16.347 8.072 -4.114 251 HD13 LEU 29 HD13 LEU 29 16.533 7.414 -2.488 252 HD21 LEU 29 HD21 LEU 29 19.652 6.775 -5.304 253 HD22 LEU 29 HD22 LEU 29 18.189 7.611 -5.829 254 HD23 LEU 29 HD23 LEU 29 18.133 5.892 -5.442 255 H VAL 30 HN VAL 30 17.621 7.721 0.055 256 HA VAL 30 HA VAL 30 19.937 6.203 0.948 257 HB VAL 30 HB VAL 30 18.490 5.610 2.895 258 HG11 VAL 30 HG11 VAL 30 20.004 7.498 3.042 259 HG12 VAL 30 HG12 VAL 30 18.507 7.860 3.902 260 HG13 VAL 30 HG13 VAL 30 18.797 8.553 2.307 261 HG21 VAL 30 HG21 VAL 30 16.546 7.536 1.621 262 HG22 VAL 30 HG22 VAL 30 16.387 6.808 3.218 263 HG23 VAL 30 HG23 VAL 30 16.321 5.794 1.777 264 H ALA 31 HN ALA 31 19.549 3.934 1.636 265 HA ALA 31 HA ALA 31 18.264 2.476 -0.509 266 HB1 ALA 31 HB1 ALA 31 19.319 0.510 0.493 267 HB2 ALA 31 HB2 ALA 31 19.851 1.489 1.859 268 HB3 ALA 31 HB3 ALA 31 20.489 1.806 0.246 269 H VAL 32 HN VAL 32 16.085 2.761 -0.162 270 HA VAL 32 HA VAL 32 14.898 2.263 2.403 271 HB VAL 32 HB VAL 32 13.823 3.903 1.038 272 HG11 VAL 32 HG11 VAL 32 13.592 1.756 -1.059 273 HG12 VAL 32 HG12 VAL 32 14.505 3.261 -1.160 274 HG13 VAL 32 HG13 VAL 32 12.742 3.300 -1.124 275 HG21 VAL 32 HG21 VAL 32 11.528 3.048 0.918 276 HG22 VAL 32 HG22 VAL 32 12.330 2.581 2.418 277 HG23 VAL 32 HG23 VAL 32 12.138 1.404 1.117 278 H GLU 33 HN GLU 33 14.361 0.387 3.211 279 HA GLU 33 HA GLU 33 13.937 -1.893 1.396 280 HB2 GLU 33 HB2 GLU 33 15.218 -1.891 4.135 281 HB3 GLU 33 HB1 GLU 33 14.866 -3.329 3.186 282 HG2 GLU 33 HG2 GLU 33 16.409 -2.611 1.468 283 HG3 GLU 33 HG1 GLU 33 16.713 -1.110 2.339 284 H ILE 34 HN ILE 34 12.860 -3.750 2.959 285 HA ILE 34 HA ILE 34 10.212 -2.846 3.094 286 HB ILE 34 HB ILE 34 10.811 -5.175 2.615 287 HG12 ILE 34 HG12 ILE 34 9.065 -6.259 4.022 288 HG13 ILE 34 HG11 ILE 34 9.009 -4.806 5.014 289 HG21 ILE 34 HG21 ILE 34 12.631 -5.455 4.205 290 HG22 ILE 34 HG22 ILE 34 11.414 -6.714 4.411 291 HG23 ILE 34 HG23 ILE 34 11.486 -5.367 5.545 292 HD11 ILE 34 HD11 ILE 34 8.249 -3.515 3.108 293 HD12 ILE 34 HD12 ILE 34 7.186 -4.891 3.395 294 HD13 ILE 34 HD13 ILE 34 8.359 -4.942 2.079 295 H ASP 35 HN ASP 35 12.575 -3.357 5.698 296 HA ASP 35 HA ASP 35 10.526 -2.516 7.628 297 HB2 ASP 35 HB2 ASP 35 12.816 -4.344 7.777 298 HB3 ASP 35 HB1 ASP 35 12.674 -3.260 9.157 299 H SER 36 HN SER 36 12.180 -0.788 5.798 300 HA SER 36 HA SER 36 13.867 0.725 7.545 301 HB2 SER 36 HB2 SER 36 12.704 1.416 4.838 302 HB3 SER 36 HB1 SER 36 13.952 2.337 5.675 303 HG SER 36 HG SER 36 15.119 0.224 5.688 304 H ARG 37 HN ARG 37 13.433 2.620 8.593 305 HA ARG 37 HA ARG 37 10.599 3.214 8.996 306 HB2 ARG 37 HB2 ARG 37 13.040 4.143 10.528 307 HB3 ARG 37 HB1 ARG 37 11.370 4.479 10.968 308 HG2 ARG 37 HG2 ARG 37 10.953 2.115 11.304 309 HG3 ARG 37 HG1 ARG 37 12.599 1.737 10.799 310 HD2 ARG 37 HD2 ARG 37 12.508 1.685 13.191 311 HD3 ARG 37 HD1 ARG 37 13.434 3.101 12.696 312 HE ARG 37 HE ARG 37 10.951 4.100 12.995 313 HH11 ARG 37 HH11 ARG 37 12.988 2.152 15.068 314 HH12 ARG 37 HH12 ARG 37 12.315 2.786 16.536 315 HH21 ARG 37 HH21 ARG 37 10.071 4.942 14.928 316 HH22 ARG 37 HH22 ARG 37 10.663 4.376 16.455 317 H PHE 38 HN PHE 38 9.668 4.986 8.293 318 HA PHE 38 HA PHE 38 10.745 6.387 6.156 319 HB2 PHE 38 HB2 PHE 38 8.363 6.924 7.909 320 HB3 PHE 38 HB1 PHE 38 8.761 7.954 6.541 321 HD1 PHE 38 HD1 PHE 38 7.111 4.983 7.605 322 HD2 PHE 38 HD2 PHE 38 8.963 6.843 4.252 323 HE1 PHE 38 HE1 PHE 38 5.911 3.457 6.096 324 HE2 PHE 38 HE2 PHE 38 7.764 5.319 2.742 325 HZ PHE 38 HZ PHE 38 6.235 3.625 3.661 326 H SER 39 HN SER 39 10.579 7.302 9.551 327 HA SER 39 HA SER 39 11.298 9.988 9.311 328 HB2 SER 39 HB2 SER 39 12.156 9.676 11.678 329 HB3 SER 39 HB1 SER 39 10.487 9.171 11.408 330 HG SER 39 HG SER 39 12.805 7.559 11.688 331 H ASP 40 HN ASP 40 13.269 7.080 9.512 332 HA ASP 40 HA ASP 40 15.741 8.544 9.679 333 HB2 ASP 40 HB2 ASP 40 15.168 5.593 9.336 334 HB3 ASP 40 HB1 ASP 40 16.775 6.274 9.555 335 H LEU 41 HN LEU 41 13.695 7.487 7.197 336 HA LEU 41 HA LEU 41 15.780 7.341 5.180 337 HB2 LEU 41 HB2 LEU 41 12.774 7.249 4.916 338 HB3 LEU 41 HB1 LEU 41 13.912 6.955 3.617 339 HG LEU 41 HG LEU 41 13.637 5.253 6.097 340 HD11 LEU 41 HD11 LEU 41 12.716 4.767 3.267 341 HD12 LEU 41 HD12 LEU 41 11.679 5.089 4.657 342 HD13 LEU 41 HD13 LEU 41 12.634 3.608 4.594 343 HD21 LEU 41 HD21 LEU 41 15.089 3.692 4.907 344 HD22 LEU 41 HD22 LEU 41 15.898 5.236 5.162 345 HD23 LEU 41 HD23 LEU 41 15.242 4.836 3.575 346 H GLY 42 HN GLY 42 13.690 9.682 6.557 347 HA2 GLY 42 HA2 GLY 42 14.154 12.020 6.141 348 HA3 GLY 42 HA1 GLY 42 14.489 11.603 4.468 349 H LEU 43 HN LEU 43 11.780 10.035 5.844 350 HA LEU 43 HA LEU 43 9.998 11.849 4.369 351 HB2 LEU 43 HB2 LEU 43 9.657 8.967 5.189 352 HB3 LEU 43 HB1 LEU 43 8.348 9.935 4.551 353 HG LEU 43 HG LEU 43 9.151 8.582 2.778 354 HD11 LEU 43 HD11 LEU 43 8.616 10.849 2.128 355 HD12 LEU 43 HD12 LEU 43 9.926 10.207 1.139 356 HD13 LEU 43 HD13 LEU 43 10.278 11.350 2.434 357 HD21 LEU 43 HD21 LEU 43 11.912 9.569 3.460 358 HD22 LEU 43 HD22 LEU 43 11.503 8.612 2.037 359 HD23 LEU 43 HD23 LEU 43 11.292 7.928 3.648 360 H SER 44 HN SER 44 9.397 13.388 5.784 361 HA SER 44 HA SER 44 8.858 12.739 8.548 362 HB2 SER 44 HB2 SER 44 10.012 14.857 7.794 363 HB3 SER 44 HB1 SER 44 8.465 15.389 7.139 364 HG SER 44 HG SER 44 9.324 15.207 9.770 365 H SER 45 HN SER 45 6.755 14.297 9.248 366 HA SER 45 HA SER 45 4.571 12.643 8.731 367 HB2 SER 45 HB2 SER 45 4.437 15.522 9.649 368 HB3 SER 45 HB1 SER 45 3.269 14.242 9.974 369 HG SER 45 HG SER 45 5.250 13.165 10.961 370 H LEU 46 HN LEU 46 5.295 15.883 7.435 371 HA LEU 46 HA LEU 46 3.011 16.059 5.793 372 HB2 LEU 46 HB2 LEU 46 4.329 18.015 6.416 373 HB3 LEU 46 HB1 LEU 46 5.698 17.402 5.507 374 HG LEU 46 HG LEU 46 4.366 17.613 3.422 375 HD11 LEU 46 HD11 LEU 46 2.138 17.421 4.358 376 HD12 LEU 46 HD12 LEU 46 2.302 18.939 3.477 377 HD13 LEU 46 HD13 LEU 46 2.354 18.933 5.240 378 HD21 LEU 46 HD21 LEU 46 5.901 19.384 4.134 379 HD22 LEU 46 HD22 LEU 46 4.594 20.150 5.035 380 HD23 LEU 46 HD23 LEU 46 4.505 20.035 3.279 381 H ASP 47 HN ASP 47 6.246 14.775 5.226 382 HA ASP 47 HA ASP 47 5.985 14.315 2.458 383 HB2 ASP 47 HB2 ASP 47 7.642 12.864 4.533 384 HB3 ASP 47 HB1 ASP 47 7.763 12.573 2.802 385 H LEU 48 HN LEU 48 5.317 12.271 5.274 386 HA LEU 48 HA LEU 48 4.437 10.009 3.857 387 HB2 LEU 48 HB2 LEU 48 3.863 11.017 6.627 388 HB3 LEU 48 HB1 LEU 48 3.173 9.522 6.024 389 HG LEU 48 HG LEU 48 6.122 10.106 6.311 390 HD11 LEU 48 HD11 LEU 48 6.028 8.419 8.086 391 HD12 LEU 48 HD12 LEU 48 4.279 8.315 7.890 392 HD13 LEU 48 HD13 LEU 48 5.015 9.814 8.458 393 HD21 LEU 48 HD21 LEU 48 6.366 7.699 5.798 394 HD22 LEU 48 HD22 LEU 48 5.728 8.631 4.445 395 HD23 LEU 48 HD23 LEU 48 4.645 7.635 5.416 396 H ALA 49 HN ALA 49 2.601 12.712 5.269 397 HA ALA 49 HA ALA 49 0.040 11.887 4.592 398 HB1 ALA 49 HB1 ALA 49 1.101 14.712 4.615 399 HB2 ALA 49 HB2 ALA 49 0.502 13.822 6.015 400 HB3 ALA 49 HB3 ALA 49 -0.596 14.244 4.702 401 H THR 50 HN THR 50 2.397 13.671 2.662 402 HA THR 50 HA THR 50 0.728 13.931 0.373 403 HB THR 50 HB THR 50 3.750 14.018 0.491 404 HG1 THR 50 HG1 THR 50 3.039 15.571 1.903 405 HG21 THR 50 HG21 THR 50 1.779 15.215 -1.460 406 HG22 THR 50 HG22 THR 50 2.863 13.861 -1.778 407 HG23 THR 50 HG23 THR 50 3.524 15.469 -1.483 408 H LEU 51 HN LEU 51 3.319 11.688 1.295 409 HA LEU 51 HA LEU 51 3.500 10.249 -1.087 410 HB2 LEU 51 HB2 LEU 51 5.158 10.098 0.691 411 HB3 LEU 51 HB1 LEU 51 3.986 9.340 1.750 412 HG LEU 51 HG LEU 51 3.896 7.399 0.199 413 HD11 LEU 51 HD11 LEU 51 6.183 8.811 -1.167 414 HD12 LEU 51 HD12 LEU 51 4.585 8.512 -1.850 415 HD13 LEU 51 HD13 LEU 51 5.654 7.159 -1.485 416 HD21 LEU 51 HD21 LEU 51 6.632 8.098 1.251 417 HD22 LEU 51 HD22 LEU 51 6.061 6.480 0.846 418 HD23 LEU 51 HD23 LEU 51 5.320 7.370 2.177 419 H ILE 52 HN ILE 52 1.556 9.533 1.820 420 HA ILE 52 HA ILE 52 0.437 7.146 0.814 421 HB ILE 52 HB ILE 52 -0.778 9.008 2.869 422 HG12 ILE 52 HG12 ILE 52 1.072 6.636 3.240 423 HG13 ILE 52 HG11 ILE 52 1.534 8.322 3.436 424 HG21 ILE 52 HG21 ILE 52 -2.358 7.360 2.002 425 HG22 ILE 52 HG22 ILE 52 -1.924 6.992 3.670 426 HG23 ILE 52 HG23 ILE 52 -1.213 6.065 2.349 427 HD11 ILE 52 HD11 ILE 52 1.151 7.248 5.578 428 HD12 ILE 52 HD12 ILE 52 -0.498 6.849 5.095 429 HD13 ILE 52 HD13 ILE 52 -0.021 8.535 5.299 430 H SER 53 HN SER 53 -0.617 10.515 0.638 431 HA SER 53 HA SER 53 -3.103 9.975 -0.642 432 HB2 SER 53 HB2 SER 53 -1.436 12.503 -0.702 433 HB3 SER 53 HB1 SER 53 -3.140 12.376 -1.134 434 HG SER 53 HG SER 53 -1.925 12.131 1.411 435 H ASN 54 HN ASN 54 0.164 10.580 -1.755 436 HA ASN 54 HA ASN 54 -0.447 10.789 -4.516 437 HB2 ASN 54 HB2 ASN 54 1.664 11.575 -3.405 438 HB3 ASN 54 HB1 ASN 54 2.147 9.893 -3.238 439 HD21 ASN 54 HD21 ASN 54 4.010 10.514 -4.450 440 HD22 ASN 54 HD22 ASN 54 3.933 10.599 -6.174 441 H LEU 55 HN LEU 55 0.177 8.120 -2.343 442 HA LEU 55 HA LEU 55 0.220 6.121 -4.403 443 HB2 LEU 55 HB2 LEU 55 -0.115 5.922 -1.415 444 HB3 LEU 55 HB1 LEU 55 -0.019 4.533 -2.480 445 HG LEU 55 HG LEU 55 2.160 6.596 -2.144 446 HD11 LEU 55 HD11 LEU 55 1.929 3.800 -1.043 447 HD12 LEU 55 HD12 LEU 55 1.852 5.295 -0.112 448 HD13 LEU 55 HD13 LEU 55 3.348 4.838 -0.926 449 HD21 LEU 55 HD21 LEU 55 2.203 5.571 -4.339 450 HD22 LEU 55 HD22 LEU 55 2.088 3.965 -3.622 451 HD23 LEU 55 HD23 LEU 55 3.530 4.946 -3.361 452 H GLU 56 HN GLU 56 -2.215 7.757 -2.582 453 HA GLU 56 HA GLU 56 -4.379 6.002 -2.961 454 HB2 GLU 56 HB2 GLU 56 -4.586 7.898 -1.476 455 HB3 GLU 56 HB1 GLU 56 -4.271 9.021 -2.790 456 HG2 GLU 56 HG2 GLU 56 -6.387 8.103 -3.864 457 HG3 GLU 56 HG1 GLU 56 -6.721 7.370 -2.297 458 H ALA 57 HN ALA 57 -2.922 8.468 -5.009 459 HA ALA 57 HA ALA 57 -4.816 8.248 -7.126 460 HB1 ALA 57 HB1 ALA 57 -3.438 10.245 -6.835 461 HB2 ALA 57 HB2 ALA 57 -3.200 9.538 -8.433 462 HB3 ALA 57 HB3 ALA 57 -1.988 9.301 -7.173 463 H VAL 58 HN VAL 58 -2.387 6.221 -6.022 464 HA VAL 58 HA VAL 58 -1.819 5.021 -8.616 465 HB VAL 58 HB VAL 58 -0.784 4.318 -5.860 466 HG11 VAL 58 HG11 VAL 58 -0.773 2.374 -7.333 467 HG12 VAL 58 HG12 VAL 58 0.867 2.942 -7.019 468 HG13 VAL 58 HG13 VAL 58 0.090 3.301 -8.561 469 HG21 VAL 58 HG21 VAL 58 0.528 5.789 -8.142 470 HG22 VAL 58 HG22 VAL 58 1.310 5.329 -6.632 471 HG23 VAL 58 HG23 VAL 58 -0.012 6.497 -6.620 472 H TYR 59 HN TYR 59 -2.956 3.891 -5.420 473 HA TYR 59 HA TYR 59 -4.038 1.504 -6.721 474 HB2 TYR 59 HB2 TYR 59 -3.813 2.117 -3.769 475 HB3 TYR 59 HB1 TYR 59 -4.226 0.563 -4.487 476 HD1 TYR 59 HD1 TYR 59 -2.486 -0.729 -5.709 477 HD2 TYR 59 HD2 TYR 59 -1.547 2.824 -3.568 478 HE1 TYR 59 HE1 TYR 59 -0.105 -1.343 -5.741 479 HE2 TYR 59 HE2 TYR 59 0.834 2.219 -3.594 480 HH TYR 59 HH TYR 59 2.207 0.165 -3.803 481 H GLY 60 HN GLY 60 -5.082 4.015 -4.431 482 HA2 GLY 60 HA2 GLY 60 -7.148 5.098 -4.374 483 HA3 GLY 60 HA1 GLY 60 -7.748 3.967 -5.579 484 H THR 61 HN THR 61 -6.176 2.390 -3.059 485 HA THR 61 HA THR 61 -8.772 1.643 -1.921 486 HB THR 61 HB THR 61 -7.610 -0.457 -1.210 487 HG1 THR 61 HG1 THR 61 -5.566 -0.867 -1.941 488 HG21 THR 61 HG21 THR 61 -7.461 -1.406 -3.522 489 HG22 THR 61 HG22 THR 61 -7.668 0.228 -4.148 490 HG23 THR 61 HG23 THR 61 -8.950 -0.521 -3.196 491 H ASP 62 HN ASP 62 -8.719 0.963 0.375 492 HA ASP 62 HA ASP 62 -8.429 1.405 2.576 493 HB2 ASP 62 HB2 ASP 62 -6.177 0.371 1.995 494 HB3 ASP 62 HB1 ASP 62 -5.540 2.011 1.940 495 HA PRO 63 HA PRO 63 -8.929 5.945 1.685 496 HB2 PRO 63 HB2 PRO 63 -11.172 5.463 3.562 497 HB3 PRO 63 HB1 PRO 63 -11.160 6.320 2.018 498 HG2 PRO 63 HG2 PRO 63 -12.267 3.908 2.227 499 HG3 PRO 63 HG1 PRO 63 -11.347 4.368 0.782 500 HD2 PRO 63 HD2 PRO 63 -10.522 2.649 3.085 501 HD3 PRO 63 HD1 PRO 63 -10.202 2.443 1.352 502 H PHE 64 HN PHE 64 -8.920 7.750 3.127 503 HA PHE 64 HA PHE 64 -7.095 7.314 5.286 504 HB2 PHE 64 HB2 PHE 64 -8.356 9.784 4.125 505 HB3 PHE 64 HB1 PHE 64 -7.289 9.839 5.524 506 HD1 PHE 64 HD1 PHE 64 -4.990 9.926 5.252 507 HD2 PHE 64 HD2 PHE 64 -7.434 8.727 1.981 508 HE1 PHE 64 HE1 PHE 64 -3.028 9.985 3.770 509 HE2 PHE 64 HE2 PHE 64 -5.478 8.787 0.491 510 HZ PHE 64 HZ PHE 64 -3.272 9.419 1.386 511 H ALA 65 HN ALA 65 -10.259 6.806 5.289 512 HA ALA 65 HA ALA 65 -11.100 8.041 7.694 513 HB1 ALA 65 HB1 ALA 65 -12.860 6.336 7.723 514 HB2 ALA 65 HB2 ALA 65 -12.029 5.454 6.443 515 HB3 ALA 65 HB3 ALA 65 -12.693 7.055 6.122 516 H ASP 66 HN ASP 66 -9.623 4.915 6.934 517 HA ASP 66 HA ASP 66 -9.050 4.541 9.795 518 HB2 ASP 66 HB2 ASP 66 -8.996 2.565 7.506 519 HB3 ASP 66 HB1 ASP 66 -8.462 2.193 9.141 520 H ALA 67 HN ALA 67 -7.629 5.188 6.716 521 HA ALA 67 HA ALA 67 -4.944 4.543 7.582 522 HB1 ALA 67 HB1 ALA 67 -5.598 4.208 5.241 523 HB2 ALA 67 HB2 ALA 67 -4.241 5.326 5.392 524 HB3 ALA 67 HB3 ALA 67 -5.859 5.943 5.072 525 H VAL 68 HN VAL 68 -6.742 6.720 8.789 526 HA VAL 68 HA VAL 68 -5.175 9.115 8.439 527 HB VAL 68 HB VAL 68 -7.628 9.150 8.978 528 HG11 VAL 68 HG11 VAL 68 -8.289 8.895 11.347 529 HG12 VAL 68 HG12 VAL 68 -6.685 8.251 11.694 530 HG13 VAL 68 HG13 VAL 68 -7.766 7.384 10.605 531 HG21 VAL 68 HG21 VAL 68 -6.241 11.128 9.286 532 HG22 VAL 68 HG22 VAL 68 -5.839 10.603 10.921 533 HG23 VAL 68 HG23 VAL 68 -7.499 11.040 10.519 534 H ALA 69 HN ALA 69 -4.933 6.268 10.222 535 HA ALA 69 HA ALA 69 -3.504 7.292 12.487 536 HB1 ALA 69 HB1 ALA 69 -3.711 4.470 11.432 537 HB2 ALA 69 HB2 ALA 69 -4.772 5.206 12.633 538 HB3 ALA 69 HB3 ALA 69 -3.070 4.941 13.006 539 H ILE 70 HN ILE 70 -1.985 8.591 11.284 540 HA ILE 70 HA ILE 70 -0.099 7.402 9.501 541 HB ILE 70 HB ILE 70 -0.733 9.755 9.323 542 HG12 ILE 70 HG12 ILE 70 2.204 9.540 9.990 543 HG13 ILE 70 HG11 ILE 70 1.499 8.843 8.534 544 HG21 ILE 70 HG21 ILE 70 0.765 10.101 11.917 545 HG22 ILE 70 HG22 ILE 70 -0.973 10.288 11.682 546 HG23 ILE 70 HG23 ILE 70 0.145 11.405 10.904 547 HD11 ILE 70 HD11 ILE 70 0.757 11.058 7.845 548 HD12 ILE 70 HD12 ILE 70 2.505 10.985 8.069 549 HD13 ILE 70 HD13 ILE 70 1.490 11.749 9.292 550 H THR 71 HN THR 71 -0.231 7.931 12.938 551 HA THR 71 HA THR 71 2.552 7.685 13.449 552 HB THR 71 HB THR 71 1.770 7.124 15.809 553 HG1 THR 71 HG1 THR 71 -0.270 6.623 15.980 554 HG21 THR 71 HG21 THR 71 0.751 9.664 14.531 555 HG22 THR 71 HG22 THR 71 2.385 9.394 15.133 556 HG23 THR 71 HG23 THR 71 1.025 9.417 16.255 557 H SER 72 HN SER 72 0.060 5.428 12.750 558 HA SER 72 HA SER 72 1.386 3.135 13.852 559 HB2 SER 72 HB2 SER 72 -0.813 3.232 11.775 560 HB3 SER 72 HB1 SER 72 -0.376 1.862 12.798 561 HG SER 72 HG SER 72 -1.302 2.799 14.496 562 H ILE 73 HN ILE 73 1.648 5.004 11.002 563 HA ILE 73 HA ILE 73 2.922 2.896 9.459 564 HB ILE 73 HB ILE 73 2.621 5.838 8.807 565 HG12 ILE 73 HG12 ILE 73 0.430 4.765 8.985 566 HG13 ILE 73 HG11 ILE 73 0.800 5.128 7.303 567 HG21 ILE 73 HG21 ILE 73 4.456 4.810 7.598 568 HG22 ILE 73 HG22 ILE 73 3.117 5.151 6.502 569 HG23 ILE 73 HG23 ILE 73 3.399 3.503 7.066 570 HD11 ILE 73 HD11 ILE 73 1.437 2.787 6.953 571 HD12 ILE 73 HD12 ILE 73 -0.235 2.955 7.491 572 HD13 ILE 73 HD13 ILE 73 1.009 2.432 8.627 573 H VAL 74 HN VAL 74 4.725 2.406 10.707 574 HA VAL 74 HA VAL 74 6.622 4.577 11.240 575 HB VAL 74 HB VAL 74 6.687 1.734 12.255 576 HG11 VAL 74 HG11 VAL 74 8.270 4.168 13.062 577 HG12 VAL 74 HG12 VAL 74 8.884 2.759 12.193 578 HG13 VAL 74 HG13 VAL 74 8.330 2.597 13.859 579 HG21 VAL 74 HG21 VAL 74 4.739 2.905 13.123 580 HG22 VAL 74 HG22 VAL 74 5.757 4.251 13.632 581 HG23 VAL 74 HG23 VAL 74 5.937 2.671 14.396 582 H THR 75 HN THR 75 6.509 1.289 9.879 583 HA THR 75 HA THR 75 9.017 1.898 8.467 584 HB THR 75 HB THR 75 9.259 -0.538 8.133 585 HG1 THR 75 HG1 THR 75 6.772 -0.546 9.482 586 HG21 THR 75 HG21 THR 75 9.800 -1.119 10.457 587 HG22 THR 75 HG22 THR 75 8.894 0.287 11.014 588 HG23 THR 75 HG23 THR 75 10.350 0.505 10.043 589 H VAL 76 HN VAL 76 9.189 0.883 6.266 590 HA VAL 76 HA VAL 76 7.132 1.799 4.596 591 HB VAL 76 HB VAL 76 9.241 -0.271 3.934 592 HG11 VAL 76 HG11 VAL 76 8.905 0.458 1.610 593 HG12 VAL 76 HG12 VAL 76 7.584 1.500 2.138 594 HG13 VAL 76 HG13 VAL 76 7.443 -0.251 2.297 595 HG21 VAL 76 HG21 VAL 76 10.265 1.769 4.753 596 HG22 VAL 76 HG22 VAL 76 9.279 2.735 3.657 597 HG23 VAL 76 HG23 VAL 76 10.501 1.640 3.011 598 H ALA 77 HN ALA 77 7.829 -1.376 5.921 599 HA ALA 77 HA ALA 77 6.085 -2.992 4.545 600 HB1 ALA 77 HB1 ALA 77 6.093 -4.446 6.478 601 HB2 ALA 77 HB2 ALA 77 6.668 -3.128 7.499 602 HB3 ALA 77 HB3 ALA 77 7.703 -3.772 6.225 603 H ASP 78 HN ASP 78 5.366 -0.921 7.341 604 HA ASP 78 HA ASP 78 2.755 -1.807 7.828 605 HB2 ASP 78 HB2 ASP 78 3.891 0.965 8.262 606 HB3 ASP 78 HB1 ASP 78 2.401 0.355 8.969 607 H LEU 79 HN LEU 79 3.967 0.691 5.665 608 HA LEU 79 HA LEU 79 1.335 1.548 4.880 609 HB2 LEU 79 HB2 LEU 79 3.241 3.100 4.940 610 HB3 LEU 79 HB1 LEU 79 4.045 2.162 3.696 611 HG LEU 79 HG LEU 79 2.245 2.740 2.109 612 HD11 LEU 79 HD11 LEU 79 1.226 4.472 4.358 613 HD12 LEU 79 HD12 LEU 79 0.421 3.053 3.687 614 HD13 LEU 79 HD13 LEU 79 0.641 4.492 2.695 615 HD21 LEU 79 HD21 LEU 79 3.553 5.098 3.457 616 HD22 LEU 79 HD22 LEU 79 2.860 5.094 1.836 617 HD23 LEU 79 HD23 LEU 79 4.264 4.090 2.197 618 H ALA 80 HN ALA 80 3.906 -0.448 3.526 619 HA ALA 80 HA ALA 80 2.780 -0.804 0.968 620 HB1 ALA 80 HB1 ALA 80 5.125 -1.276 1.464 621 HB2 ALA 80 HB2 ALA 80 4.327 -2.676 0.746 622 HB3 ALA 80 HB3 ALA 80 4.641 -2.633 2.480 623 H ARG 81 HN ARG 81 2.573 -2.797 3.923 624 HA ARG 81 HA ARG 81 1.030 -4.844 2.736 625 HB2 ARG 81 HB2 ARG 81 0.607 -5.635 4.975 626 HB3 ARG 81 HB1 ARG 81 2.283 -5.134 4.846 627 HG2 ARG 81 HG2 ARG 81 1.743 -3.037 5.977 628 HG3 ARG 81 HG1 ARG 81 0.058 -3.543 6.104 629 HD2 ARG 81 HD2 ARG 81 1.293 -3.923 8.189 630 HD3 ARG 81 HD1 ARG 81 0.701 -5.427 7.489 631 HE ARG 81 HE ARG 81 3.154 -5.405 6.510 632 HH11 ARG 81 HH11 ARG 81 2.055 -4.626 9.738 633 HH12 ARG 81 HH12 ARG 81 3.531 -5.129 10.500 634 HH21 ARG 81 HH21 ARG 81 5.084 -6.104 7.504 635 HH22 ARG 81 HH22 ARG 81 5.259 -5.972 9.225 636 H ALA 82 HN ALA 82 0.197 -1.731 3.999 637 HA ALA 82 HA ALA 82 -2.529 -2.137 4.544 638 HB1 ALA 82 HB1 ALA 82 -1.145 0.360 3.568 639 HB2 ALA 82 HB2 ALA 82 -1.333 -0.131 5.251 640 HB3 ALA 82 HB3 ALA 82 -2.751 0.292 4.292 641 H TYR 83 HN TYR 83 -0.976 -0.828 1.619 642 HA TYR 83 HA TYR 83 -3.415 -0.893 0.122 643 HB2 TYR 83 HB2 TYR 83 -0.552 -0.301 -0.582 644 HB3 TYR 83 HB1 TYR 83 -1.791 -0.418 -1.827 645 HD1 TYR 83 HD1 TYR 83 -0.371 1.648 0.800 646 HD2 TYR 83 HD2 TYR 83 -3.694 1.180 -1.815 647 HE1 TYR 83 HE1 TYR 83 -1.001 3.997 1.181 648 HE2 TYR 83 HE2 TYR 83 -4.329 3.521 -1.443 649 HH TYR 83 HH TYR 83 -2.290 5.779 0.047 650 H ALA 84 HN ALA 84 -0.849 -3.138 0.699 651 HA ALA 84 HA ALA 84 -1.399 -4.772 -1.608 652 HB1 ALA 84 HB1 ALA 84 0.205 -6.321 -0.671 653 HB2 ALA 84 HB2 ALA 84 0.194 -5.446 0.858 654 HB3 ALA 84 HB3 ALA 84 0.840 -4.678 -0.591 655 H GLN 85 HN GLN 85 -2.720 -4.437 1.525 656 HA GLN 85 HA GLN 85 -3.960 -7.082 1.431 657 HB2 GLN 85 HB2 GLN 85 -3.037 -6.414 3.573 658 HB3 GLN 85 HB1 GLN 85 -3.987 -4.936 3.558 659 HG2 GLN 85 HG2 GLN 85 -6.039 -6.247 3.699 660 HG3 GLN 85 HG1 GLN 85 -5.090 -7.732 3.703 661 HE21 GLN 85 HE21 GLN 85 -3.925 -8.292 5.528 662 HE22 GLN 85 HE22 GLN 85 -4.210 -7.552 7.063 663 H GLN 86 HN GLN 86 -4.783 -3.648 1.338 664 HA GLN 86 HA GLN 86 -7.614 -4.252 1.145 665 HB2 GLN 86 HB2 GLN 86 -6.605 -2.241 2.374 666 HB3 GLN 86 HB1 GLN 86 -6.347 -1.545 0.782 667 HG2 GLN 86 HG2 GLN 86 -8.369 -0.648 1.559 668 HG3 GLN 86 HG1 GLN 86 -8.810 -1.871 0.370 669 HE21 GLN 86 HE21 GLN 86 -10.413 -0.775 2.498 670 HE22 GLN 86 HE22 GLN 86 -10.865 -2.096 3.514 671 H GLY 87 HN GLY 87 -8.542 -4.747 -0.708 672 HA2 GLY 87 HA2 GLY 87 -9.102 -4.711 -2.932 673 HA3 GLY 87 HA1 GLY 87 -8.134 -3.256 -3.094 674 H VAL 88 HN VAL 88 -6.952 -6.345 -1.937 675 HA VAL 88 HA VAL 88 -4.899 -6.337 -3.952 676 HB VAL 88 HB VAL 88 -4.237 -7.098 -1.789 677 HG11 VAL 88 HG11 VAL 88 -6.364 -7.813 -0.894 678 HG12 VAL 88 HG12 VAL 88 -5.192 -9.120 -0.738 679 HG13 VAL 88 HG13 VAL 88 -6.410 -9.175 -2.011 680 HG21 VAL 88 HG21 VAL 88 -4.408 -9.448 -3.666 681 HG22 VAL 88 HG22 VAL 88 -3.343 -9.337 -2.264 682 HG23 VAL 88 HG23 VAL 88 -3.134 -8.229 -3.618 683 HA PRO 89 HA PRO 89 -7.154 -8.697 -6.965 684 HB2 PRO 89 HB2 PRO 89 -4.956 -9.568 -8.365 685 HB3 PRO 89 HB1 PRO 89 -5.697 -7.977 -8.576 686 HG2 PRO 89 HG2 PRO 89 -3.299 -8.753 -6.961 687 HG3 PRO 89 HG1 PRO 89 -3.543 -7.333 -7.995 688 HD2 PRO 89 HD2 PRO 89 -3.751 -7.180 -5.318 689 HD3 PRO 89 HD1 PRO 89 -4.797 -6.224 -6.389 690 H GLY 90 HN GLY 90 -8.010 -10.490 -6.088 691 HA2 GLY 90 HA2 GLY 90 -6.218 -12.574 -5.077 692 HA3 GLY 90 HA1 GLY 90 -7.941 -12.451 -4.752 693 HA PRO 91 HA PRO 91 -6.894 -15.362 -8.397 694 HB2 PRO 91 HB2 PRO 91 -7.488 -17.576 -6.574 695 HB3 PRO 91 HB1 PRO 91 -6.094 -17.348 -7.631 696 HG2 PRO 91 HG2 PRO 91 -5.927 -17.175 -4.938 697 HG3 PRO 91 HG1 PRO 91 -4.893 -16.232 -6.024 698 HD2 PRO 91 HD2 PRO 91 -7.314 -15.384 -4.491 699 HD3 PRO 91 HD1 PRO 91 -5.809 -14.496 -4.810 700 H SER 92 HN SER 92 -8.674 -15.295 -9.594 701 HA SER 92 HA SER 92 -11.287 -15.249 -8.518 702 HB2 SER 92 HB2 SER 92 -10.692 -14.191 -10.670 703 HB3 SER 92 HB1 SER 92 -10.390 -15.782 -11.365 704 HG SER 92 HG SER 92 -12.424 -15.473 -11.935 705 HA PRO 93 HA PRO 93 -11.659 -19.727 -8.228 706 HB2 PRO 93 HB2 PRO 93 -13.936 -19.753 -6.796 707 HB3 PRO 93 HB1 PRO 93 -12.383 -19.341 -6.060 708 HG2 PRO 93 HG2 PRO 93 -14.596 -17.544 -6.950 709 HG3 PRO 93 HG1 PRO 93 -13.572 -17.434 -5.508 710 HD2 PRO 93 HD2 PRO 93 -13.190 -15.964 -7.809 711 HD3 PRO 93 HD1 PRO 93 -11.917 -16.326 -6.629 712 H ASP 94 HN ASP 94 -13.513 -17.390 -9.751 713 HA ASP 94 HA ASP 94 -15.001 -19.421 -11.258 714 HB2 ASP 94 HB2 ASP 94 -16.866 -17.745 -11.445 715 HB3 ASP 94 HB1 ASP 94 -16.614 -18.361 -9.818 716 HA PRO 95 HA PRO 95 -12.480 -16.399 -13.847 717 HB2 PRO 95 HB2 PRO 95 -10.856 -18.162 -15.094 718 HB3 PRO 95 HB1 PRO 95 -10.476 -17.476 -13.511 719 HG2 PRO 95 HG2 PRO 95 -11.618 -20.151 -14.193 720 HG3 PRO 95 HG1 PRO 95 -10.403 -19.728 -12.974 721 HD2 PRO 95 HD2 PRO 95 -13.035 -20.179 -12.398 722 HD3 PRO 95 HD1 PRO 95 -11.987 -19.128 -11.430 723 H LEU 96 HN LEU 96 -14.040 -19.417 -14.549 724 HA LEU 96 HA LEU 96 -14.368 -18.751 -17.363 725 HB2 LEU 96 HB2 LEU 96 -13.825 -21.076 -16.586 726 HB3 LEU 96 HB1 LEU 96 -15.405 -21.143 -15.837 727 HG LEU 96 HG LEU 96 -15.173 -20.602 -18.780 728 HD11 LEU 96 HD11 LEU 96 -13.815 -22.582 -18.383 729 HD12 LEU 96 HD12 LEU 96 -15.327 -23.015 -19.180 730 HD13 LEU 96 HD13 LEU 96 -15.125 -23.310 -17.454 731 HD21 LEU 96 HD21 LEU 96 -17.253 -21.992 -17.089 732 HD22 LEU 96 HD22 LEU 96 -17.356 -21.693 -18.823 733 HD23 LEU 96 HD23 LEU 96 -17.355 -20.339 -17.694 734 H ASP 97 HN ASP 97 -16.297 -19.180 -14.429 735 HA ASP 97 HA ASP 97 -18.807 -18.769 -15.671 736 HB2 ASP 97 HB2 ASP 97 -17.926 -18.581 -12.798 737 HB3 ASP 97 HB1 ASP 97 -19.585 -18.273 -13.291 738 H ALA 98 HN ALA 98 -16.424 -16.581 -14.354 739 HA ALA 98 HA ALA 98 -18.076 -14.274 -14.305 740 HB1 ALA 98 HB1 ALA 98 -15.077 -14.454 -14.585 741 HB2 ALA 98 HB2 ALA 98 -15.970 -14.396 -13.066 742 HB3 ALA 98 HB3 ALA 98 -15.995 -13.010 -14.156 743 H GLN 99 HN GLN 99 -16.565 -16.026 -16.844 744 HA GLN 99 HA GLN 99 -16.258 -13.874 -18.683 745 HB2 GLN 99 HB2 GLN 99 -14.977 -15.958 -18.889 746 HB3 GLN 99 HB1 GLN 99 -16.462 -16.845 -19.196 747 HG2 GLN 99 HG2 GLN 99 -16.787 -15.725 -21.276 748 HG3 GLN 99 HG1 GLN 99 -15.452 -14.620 -20.947 749 HE21 GLN 99 HE21 GLN 99 -16.348 -17.843 -21.868 750 HE22 GLN 99 HE22 GLN 99 -14.784 -18.339 -22.410 751 H LEU 100 HN LEU 100 -18.659 -16.520 -18.489 752 HA LEU 100 HA LEU 100 -20.328 -15.106 -20.403 753 HB2 LEU 100 HB2 LEU 100 -21.691 -17.031 -20.520 754 HB3 LEU 100 HB1 LEU 100 -20.034 -17.593 -20.493 755 HG LEU 100 HG LEU 100 -21.807 -17.577 -18.050 756 HD11 LEU 100 HD11 LEU 100 -22.794 -18.994 -19.768 757 HD12 LEU 100 HD12 LEU 100 -22.127 -19.964 -18.457 758 HD13 LEU 100 HD13 LEU 100 -21.253 -19.823 -19.982 759 HD21 LEU 100 HD21 LEU 100 -20.172 -19.263 -17.259 760 HD22 LEU 100 HD22 LEU 100 -19.465 -17.668 -17.505 761 HD23 LEU 100 HD23 LEU 100 -19.197 -18.943 -18.693 762 H ARG 101 HN ARG 101 -19.781 -14.228 -17.560 763 HA ARG 101 HA ARG 101 -22.385 -14.230 -16.319 764 HB2 ARG 101 HB2 ARG 101 -20.341 -14.206 -14.958 765 HB3 ARG 101 HB1 ARG 101 -19.871 -12.672 -15.674 766 HG2 ARG 101 HG2 ARG 101 -21.792 -11.587 -14.656 767 HG3 ARG 101 HG1 ARG 101 -22.317 -13.128 -13.975 768 HD2 ARG 101 HD2 ARG 101 -21.160 -11.804 -12.297 769 HD3 ARG 101 HD1 ARG 101 -20.243 -13.258 -12.682 770 HE ARG 101 HE ARG 101 -19.418 -10.992 -14.229 771 HH11 ARG 101 HH11 ARG 101 -19.039 -12.633 -11.162 772 HH12 ARG 101 HH12 ARG 101 -17.499 -11.914 -10.821 773 HH21 ARG 101 HH21 ARG 101 -17.375 -10.068 -13.799 774 HH22 ARG 101 HH22 ARG 101 -16.549 -10.461 -12.321 775 H ASP 102 HN ASP 102 -20.509 -12.187 -18.407 776 HA ASP 102 HA ASP 102 -22.100 -9.833 -18.136 777 HB2 ASP 102 HB2 ASP 102 -19.793 -9.709 -18.923 778 HB3 ASP 102 HB1 ASP 102 -20.189 -10.705 -20.317 779 H LEU 103 HN LEU 103 -22.288 -12.718 -20.040 780 HA LEU 103 HA LEU 103 -24.210 -11.616 -21.907 781 HB2 LEU 103 HB2 LEU 103 -22.551 -13.217 -22.704 782 HB3 LEU 103 HB1 LEU 103 -23.130 -14.414 -21.562 783 HG LEU 103 HG LEU 103 -25.311 -14.447 -22.746 784 HD11 LEU 103 HD11 LEU 103 -23.896 -12.663 -24.720 785 HD12 LEU 103 HD12 LEU 103 -25.266 -12.217 -23.705 786 HD13 LEU 103 HD13 LEU 103 -25.463 -13.431 -24.968 787 HD21 LEU 103 HD21 LEU 103 -23.573 -16.087 -23.253 788 HD22 LEU 103 HD22 LEU 103 -22.913 -15.008 -24.483 789 HD23 LEU 103 HD23 LEU 103 -24.527 -15.693 -24.683 790 H ARG 104 HN ARG 104 -26.317 -11.567 -21.537 791 HA ARG 104 HA ARG 104 -27.461 -13.011 -19.300 792 HB2 ARG 104 HB2 ARG 104 -28.763 -11.193 -21.341 793 HB3 ARG 104 HB1 ARG 104 -29.519 -11.790 -19.870 794 HG2 ARG 104 HG2 ARG 104 -27.901 -10.579 -18.525 795 HG3 ARG 104 HG1 ARG 104 -27.097 -10.008 -19.987 796 HD2 ARG 104 HD2 ARG 104 -29.155 -8.848 -20.646 797 HD3 ARG 104 HD1 ARG 104 -29.934 -9.404 -19.165 798 HE ARG 104 HE ARG 104 -27.517 -7.999 -18.622 799 HH11 ARG 104 HH11 ARG 104 -30.883 -7.537 -19.466 800 HH12 ARG 104 HH12 ARG 104 -30.983 -5.964 -18.741 801 HH21 ARG 104 HH21 ARG 104 -27.629 -5.911 -17.693 802 HH22 ARG 104 HH22 ARG 104 -29.126 -5.037 -17.739 803 H GLN 105 HN GLN 105 -27.960 -15.097 -19.583 804 HA GLN 105 HA GLN 105 -28.619 -16.057 -22.253 805 HB2 GLN 105 HB2 GLN 105 -28.298 -18.289 -21.359 806 HB3 GLN 105 HB1 GLN 105 -26.927 -17.276 -20.935 807 HG2 GLN 105 HG2 GLN 105 -27.782 -17.016 -18.682 808 HG3 GLN 105 HG1 GLN 105 -29.214 -17.954 -19.098 809 HE21 GLN 105 HE21 GLN 105 -27.244 -18.472 -17.047 810 HE22 GLN 105 HE22 GLN 105 -26.581 -20.031 -17.391 811 H LEU 106 HN LEU 106 -30.511 -17.108 -22.775 812 HA LEU 106 HA LEU 106 -32.671 -16.924 -20.789 813 HB2 LEU 106 HB2 LEU 106 -32.898 -15.224 -22.564 814 HB3 LEU 106 HB1 LEU 106 -32.883 -16.492 -23.773 815 HG LEU 106 HG LEU 106 -34.988 -17.386 -22.858 816 HD11 LEU 106 HD11 LEU 106 -34.756 -16.695 -20.546 817 HD12 LEU 106 HD12 LEU 106 -36.252 -16.056 -21.224 818 HD13 LEU 106 HD13 LEU 106 -34.856 -14.998 -21.021 819 HD21 LEU 106 HD21 LEU 106 -35.045 -15.768 -24.683 820 HD22 LEU 106 HD22 LEU 106 -35.087 -14.446 -23.517 821 HD23 LEU 106 HD23 LEU 106 -36.437 -15.576 -23.619 Start of MODEL 8 1 H GLY -4 HT1 GLY -4 2.432 -25.035 -11.397 2 HA2 GLY -4 HA1 GLY -4 1.425 -25.445 -9.249 3 HA3 GLY -4 HA2 GLY -4 2.855 -26.352 -8.776 4 H ILE -3 HN ILE -3 1.825 -24.061 -7.427 5 HA ILE -3 HA ILE -3 3.895 -22.058 -8.044 6 HB ILE -3 HB ILE -3 2.431 -20.401 -6.912 7 HG12 ILE -3 HG12 ILE -3 0.387 -22.632 -6.994 8 HG13 ILE -3 HG11 ILE -3 1.130 -21.980 -5.538 9 HG21 ILE -3 HG21 ILE -3 2.450 -20.568 -9.332 10 HG22 ILE -3 HG22 ILE -3 0.826 -20.183 -8.760 11 HG23 ILE -3 HG23 ILE -3 1.214 -21.823 -9.273 12 HD11 ILE -3 HD11 ILE -3 0.081 -19.831 -5.945 13 HD12 ILE -3 HD12 ILE -3 -1.125 -21.118 -5.888 14 HD13 ILE -3 HD13 ILE -3 -0.626 -20.445 -7.439 15 H ASP -2 HN ASP -2 4.814 -20.918 -6.267 16 HA ASP -2 HA ASP -2 4.846 -22.454 -3.770 17 HB2 ASP -2 HB2 ASP -2 7.120 -21.281 -3.492 18 HB3 ASP -2 HB1 ASP -2 7.020 -22.602 -4.642 19 HA PRO -1 HA PRO -1 2.475 -18.670 -2.875 20 HB2 PRO -1 HB2 PRO -1 2.002 -20.207 -0.379 21 HB3 PRO -1 HB1 PRO -1 0.846 -19.405 -1.446 22 HG2 PRO -1 HG2 PRO -1 1.069 -22.046 -1.467 23 HG3 PRO -1 HG1 PRO -1 0.859 -21.150 -2.983 24 HD2 PRO -1 HD2 PRO -1 3.348 -22.333 -1.812 25 HD3 PRO -1 HD1 PRO -1 2.791 -22.324 -3.499 26 H PHE 0 HN PHE 0 4.772 -20.226 -0.652 27 HA PHE 0 HA PHE 0 4.879 -18.183 1.261 28 HB2 PHE 0 HB2 PHE 0 5.863 -20.341 1.719 29 HB3 PHE 0 HB1 PHE 0 7.007 -20.149 0.395 30 HD1 PHE 0 HD1 PHE 0 5.963 -18.331 3.484 31 HD2 PHE 0 HD2 PHE 0 9.151 -19.570 0.953 32 HE1 PHE 0 HE1 PHE 0 7.584 -17.338 5.047 33 HE2 PHE 0 HE2 PHE 0 10.777 -18.576 2.508 34 HZ PHE 0 HZ PHE 0 10.000 -17.434 4.538 35 H THR 1 HN THR 1 7.037 -18.749 -1.511 36 HA THR 1 HA THR 1 8.380 -16.250 -1.147 37 HB THR 1 HB THR 1 8.942 -17.151 -3.720 38 HG1 THR 1 HG1 THR 1 8.323 -19.179 -3.716 39 HG21 THR 1 HG21 THR 1 11.045 -17.933 -2.723 40 HG22 THR 1 HG22 THR 1 10.320 -17.830 -1.119 41 HG23 THR 1 HG23 THR 1 10.572 -16.365 -2.066 42 H LEU 2 HN LEU 2 5.649 -17.382 -2.970 43 HA LEU 2 HA LEU 2 5.458 -15.253 -4.823 44 HB2 LEU 2 HB2 LEU 2 4.276 -17.464 -4.957 45 HB3 LEU 2 HB1 LEU 2 3.227 -16.931 -3.664 46 HG LEU 2 HG LEU 2 2.326 -16.816 -6.053 47 HD11 LEU 2 HD11 LEU 2 2.251 -14.343 -4.335 48 HD12 LEU 2 HD12 LEU 2 1.184 -15.742 -4.211 49 HD13 LEU 2 HD13 LEU 2 1.129 -14.715 -5.644 50 HD21 LEU 2 HD21 LEU 2 4.087 -14.373 -6.129 51 HD22 LEU 2 HD22 LEU 2 2.897 -14.843 -7.342 52 HD23 LEU 2 HD23 LEU 2 4.324 -15.843 -7.073 53 H ASN 3 HN ASN 3 4.196 -15.761 -1.567 54 HA ASN 3 HA ASN 3 2.575 -13.486 -1.375 55 HB2 ASN 3 HB2 ASN 3 2.616 -15.399 0.240 56 HB3 ASN 3 HB1 ASN 3 4.144 -14.785 0.865 57 HD21 ASN 3 HD21 ASN 3 0.721 -14.272 0.641 58 HD22 ASN 3 HD22 ASN 3 0.612 -13.070 1.880 59 H HIS 4 HN HIS 4 6.026 -13.920 -0.940 60 HA HIS 4 HA HIS 4 6.398 -11.188 -0.069 61 HB2 HIS 4 HB2 HIS 4 8.258 -13.479 -0.614 62 HB3 HIS 4 HB1 HIS 4 8.889 -11.845 -0.452 63 HD1 HIS 4 HD1 HIS 4 9.205 -10.962 1.876 64 HD2 HIS 4 HD2 HIS 4 6.942 -14.453 1.783 65 HE1 HIS 4 HE1 HIS 4 8.913 -11.642 4.276 66 HE2 HIS 4 HE2 HIS 4 7.454 -13.697 4.206 67 H GLN 5 HN GLN 5 6.470 -12.988 -3.039 68 HA GLN 5 HA GLN 5 7.868 -11.114 -4.625 69 HB2 GLN 5 HB2 GLN 5 7.498 -13.396 -5.393 70 HB3 GLN 5 HB1 GLN 5 5.759 -13.136 -5.401 71 HG2 GLN 5 HG2 GLN 5 6.056 -11.418 -7.143 72 HG3 GLN 5 HG1 GLN 5 7.780 -11.779 -7.169 73 HE21 GLN 5 HE21 GLN 5 5.743 -12.001 -9.265 74 HE22 GLN 5 HE22 GLN 5 5.801 -13.643 -9.802 75 H VAL 6 HN VAL 6 4.379 -11.620 -4.090 76 HA VAL 6 HA VAL 6 3.593 -9.375 -5.639 77 HB VAL 6 HB VAL 6 2.050 -11.229 -5.115 78 HG11 VAL 6 HG11 VAL 6 2.036 -10.091 -2.324 79 HG12 VAL 6 HG12 VAL 6 2.680 -11.659 -2.812 80 HG13 VAL 6 HG13 VAL 6 0.949 -11.341 -2.930 81 HG21 VAL 6 HG21 VAL 6 1.111 -8.521 -4.177 82 HG22 VAL 6 HG22 VAL 6 0.065 -9.857 -4.657 83 HG23 VAL 6 HG23 VAL 6 1.136 -9.107 -5.841 84 H MET 7 HN MET 7 4.554 -9.801 -2.318 85 HA MET 7 HA MET 7 3.756 -7.268 -1.340 86 HB2 MET 7 HB2 MET 7 4.453 -9.221 0.073 87 HB3 MET 7 HB1 MET 7 6.111 -8.941 -0.436 88 HG2 MET 7 HG2 MET 7 5.808 -7.986 1.726 89 HG3 MET 7 HG1 MET 7 5.977 -6.674 0.561 90 HE1 MET 7 HE1 MET 7 5.051 -4.998 2.375 91 HE2 MET 7 HE2 MET 7 4.834 -6.306 3.536 92 HE3 MET 7 HE3 MET 7 3.508 -5.189 3.207 93 H ASP 8 HN ASP 8 6.708 -8.472 -2.856 94 HA ASP 8 HA ASP 8 8.214 -6.107 -2.710 95 HB2 ASP 8 HB2 ASP 8 9.232 -8.267 -3.237 96 HB3 ASP 8 HB1 ASP 8 8.337 -8.338 -4.753 97 H GLN 9 HN GLN 9 5.773 -7.201 -4.967 98 HA GLN 9 HA GLN 9 6.135 -5.253 -6.968 99 HB2 GLN 9 HB2 GLN 9 4.710 -7.238 -7.270 100 HB3 GLN 9 HB1 GLN 9 3.586 -6.618 -6.069 101 HG2 GLN 9 HG2 GLN 9 2.678 -6.198 -8.227 102 HG3 GLN 9 HG1 GLN 9 3.185 -4.658 -7.538 103 HE21 GLN 9 HE21 GLN 9 3.794 -7.050 -9.969 104 HE22 GLN 9 HE22 GLN 9 4.891 -6.108 -10.915 105 H VAL 10 HN VAL 10 4.194 -5.276 -4.012 106 HA VAL 10 HA VAL 10 3.108 -2.670 -4.378 107 HB VAL 10 HB VAL 10 3.437 -4.210 -1.794 108 HG11 VAL 10 HG11 VAL 10 2.972 -1.831 -1.464 109 HG12 VAL 10 HG12 VAL 10 1.603 -2.830 -0.977 110 HG13 VAL 10 HG13 VAL 10 1.559 -1.961 -2.511 111 HG21 VAL 10 HG21 VAL 10 1.123 -4.156 -3.730 112 HG22 VAL 10 HG22 VAL 10 1.133 -4.961 -2.161 113 HG23 VAL 10 HG23 VAL 10 2.209 -5.517 -3.443 114 H PHE 11 HN PHE 11 5.870 -3.967 -2.571 115 HA PHE 11 HA PHE 11 6.712 -1.557 -1.408 116 HB2 PHE 11 HB2 PHE 11 7.626 -3.657 -0.634 117 HB3 PHE 11 HB1 PHE 11 8.319 -3.987 -2.219 118 HD1 PHE 11 HD1 PHE 11 8.399 -1.286 0.358 119 HD2 PHE 11 HD2 PHE 11 10.568 -3.618 -2.462 120 HE1 PHE 11 HE1 PHE 11 10.484 -0.189 1.061 121 HE2 PHE 11 HE2 PHE 11 12.656 -2.523 -1.764 122 HZ PHE 11 HZ PHE 11 12.602 -0.737 -0.074 123 H ASP 12 HN ASP 12 7.409 -2.997 -4.552 124 HA ASP 12 HA ASP 12 9.361 -1.196 -5.422 125 HB2 ASP 12 HB2 ASP 12 8.918 -3.199 -6.688 126 HB3 ASP 12 HB1 ASP 12 7.257 -2.701 -6.986 127 H GLN 13 HN GLN 13 5.862 -0.952 -5.375 128 HA GLN 13 HA GLN 13 5.728 1.399 -6.965 129 HB2 GLN 13 HB2 GLN 13 3.821 -0.145 -6.679 130 HB3 GLN 13 HB1 GLN 13 3.707 0.330 -4.991 131 HG2 GLN 13 HG2 GLN 13 2.050 1.459 -6.388 132 HG3 GLN 13 HG1 GLN 13 3.160 2.595 -5.624 133 HE21 GLN 13 HE21 GLN 13 4.647 3.706 -6.893 134 HE22 GLN 13 HE22 GLN 13 4.499 3.801 -8.615 135 H VAL 14 HN VAL 14 5.733 0.820 -3.446 136 HA VAL 14 HA VAL 14 5.473 3.591 -2.823 137 HB VAL 14 HB VAL 14 5.964 3.045 -0.532 138 HG11 VAL 14 HG11 VAL 14 4.272 1.338 -0.095 139 HG12 VAL 14 HG12 VAL 14 4.311 0.866 -1.794 140 HG13 VAL 14 HG13 VAL 14 3.746 2.473 -1.339 141 HG21 VAL 14 HG21 VAL 14 7.851 1.585 -0.741 142 HG22 VAL 14 HG22 VAL 14 6.874 0.366 -1.555 143 HG23 VAL 14 HG23 VAL 14 6.584 0.735 0.145 144 H GLU 15 HN GLU 15 8.199 1.397 -3.237 145 HA GLU 15 HA GLU 15 10.282 3.144 -2.539 146 HB2 GLU 15 HB2 GLU 15 10.627 0.748 -2.931 147 HB3 GLU 15 HB1 GLU 15 10.202 0.949 -4.625 148 HG2 GLU 15 HG2 GLU 15 12.179 2.474 -4.843 149 HG3 GLU 15 HG1 GLU 15 12.637 1.997 -3.207 150 H HIS 16 HN HIS 16 8.694 2.510 -5.631 151 HA HIS 16 HA HIS 16 10.051 4.291 -7.265 152 HB2 HIS 16 HB2 HIS 16 8.271 2.561 -7.885 153 HB3 HIS 16 HB1 HIS 16 7.080 3.770 -7.430 154 HD1 HIS 16 HD1 HIS 16 8.045 2.437 -10.341 155 HD2 HIS 16 HD2 HIS 16 8.290 6.364 -8.999 156 HE1 HIS 16 HE1 HIS 16 8.125 3.857 -12.414 157 HE2 HIS 16 HE2 HIS 16 8.440 6.210 -11.574 158 H GLN 17 HN GLN 17 7.147 4.836 -5.290 159 HA GLN 17 HA GLN 17 6.794 7.539 -5.978 160 HB2 GLN 17 HB2 GLN 17 5.840 5.813 -3.727 161 HB3 GLN 17 HB1 GLN 17 5.560 7.549 -3.670 162 HG2 GLN 17 HG2 GLN 17 4.705 5.763 -5.934 163 HG3 GLN 17 HG1 GLN 17 3.667 6.251 -4.593 164 HE21 GLN 17 HE21 GLN 17 3.435 6.766 -7.472 165 HE22 GLN 17 HE22 GLN 17 3.348 8.483 -7.635 166 H ILE 18 HN ILE 18 8.462 6.052 -3.204 167 HA ILE 18 HA ILE 18 9.159 8.418 -1.890 168 HB ILE 18 HB ILE 18 10.585 5.758 -1.968 169 HG12 ILE 18 HG12 ILE 18 8.826 7.033 0.139 170 HG13 ILE 18 HG11 ILE 18 8.294 5.809 -1.009 171 HG21 ILE 18 HG21 ILE 18 11.785 6.509 0.050 172 HG22 ILE 18 HG22 ILE 18 11.098 8.120 -0.161 173 HG23 ILE 18 HG23 ILE 18 12.200 7.465 -1.372 174 HD11 ILE 18 HD11 ILE 18 10.420 5.443 1.088 175 HD12 ILE 18 HD12 ILE 18 9.851 4.215 -0.044 176 HD13 ILE 18 HD13 ILE 18 8.758 4.859 1.181 177 H ALA 19 HN ALA 19 10.990 6.552 -4.303 178 HA ALA 19 HA ALA 19 13.188 8.332 -4.414 179 HB1 ALA 19 HB1 ALA 19 12.217 6.391 -6.509 180 HB2 ALA 19 HB2 ALA 19 13.316 6.011 -5.183 181 HB3 ALA 19 HB3 ALA 19 13.812 7.140 -6.444 182 H GLN 20 HN GLN 20 10.133 8.177 -6.119 183 HA GLN 20 HA GLN 20 10.688 10.079 -8.127 184 HB2 GLN 20 HB2 GLN 20 8.788 8.520 -8.218 185 HB3 GLN 20 HB1 GLN 20 8.055 9.329 -6.840 186 HG2 GLN 20 HG2 GLN 20 7.824 11.369 -8.156 187 HG3 GLN 20 HG1 GLN 20 8.564 10.561 -9.537 188 HE21 GLN 20 HE21 GLN 20 5.913 11.764 -9.241 189 HE22 GLN 20 HE22 GLN 20 4.782 10.514 -9.615 190 H VAL 21 HN VAL 21 9.201 10.382 -4.920 191 HA VAL 21 HA VAL 21 8.759 13.189 -5.127 192 HB VAL 21 HB VAL 21 8.823 11.381 -2.704 193 HG11 VAL 21 HG11 VAL 21 7.691 13.153 -1.495 194 HG12 VAL 21 HG12 VAL 21 7.761 14.197 -2.913 195 HG13 VAL 21 HG13 VAL 21 9.249 13.726 -2.091 196 HG21 VAL 21 HG21 VAL 21 6.381 11.507 -2.839 197 HG22 VAL 21 HG22 VAL 21 7.074 10.820 -4.309 198 HG23 VAL 21 HG23 VAL 21 6.513 12.493 -4.297 199 H LEU 22 HN LEU 22 11.031 11.325 -3.113 200 HA LEU 22 HA LEU 22 12.420 13.527 -2.103 201 HB2 LEU 22 HB2 LEU 22 12.369 11.124 -1.267 202 HB3 LEU 22 HB1 LEU 22 13.559 10.769 -2.504 203 HG LEU 22 HG LEU 22 15.093 12.411 -1.460 204 HD11 LEU 22 HD11 LEU 22 12.927 12.545 0.628 205 HD12 LEU 22 HD12 LEU 22 13.455 13.854 -0.425 206 HD13 LEU 22 HD13 LEU 22 14.548 13.218 0.804 207 HD21 LEU 22 HD21 LEU 22 15.264 10.044 -0.901 208 HD22 LEU 22 HD22 LEU 22 14.064 10.248 0.376 209 HD23 LEU 22 HD23 LEU 22 15.632 11.045 0.503 210 H GLY 23 HN GLY 23 13.133 11.415 -4.863 211 HA2 GLY 23 HA2 GLY 23 15.681 12.495 -5.424 212 HA3 GLY 23 HA1 GLY 23 14.696 11.556 -6.531 213 H ALA 24 HN ALA 24 12.457 13.354 -6.591 214 HA ALA 24 HA ALA 24 13.314 15.068 -8.661 215 HB1 ALA 24 HB1 ALA 24 10.743 15.158 -7.095 216 HB2 ALA 24 HB2 ALA 24 11.041 14.185 -8.535 217 HB3 ALA 24 HB3 ALA 24 11.045 15.946 -8.644 218 H LYS 25 HN LYS 25 12.923 15.526 -5.226 219 HA LYS 25 HA LYS 25 13.256 18.406 -5.463 220 HB2 LYS 25 HB2 LYS 25 12.839 16.586 -3.095 221 HB3 LYS 25 HB1 LYS 25 13.130 18.314 -2.938 222 HG2 LYS 25 HG2 LYS 25 10.852 17.123 -4.503 223 HG3 LYS 25 HG1 LYS 25 10.735 17.663 -2.828 224 HD2 LYS 25 HD2 LYS 25 11.378 19.925 -3.516 225 HD3 LYS 25 HD1 LYS 25 11.494 19.383 -5.189 226 HE2 LYS 25 HE2 LYS 25 8.987 19.292 -3.519 227 HE3 LYS 25 HE1 LYS 25 9.375 20.559 -4.679 228 HZ1 LYS 25 HZ1 LYS 25 9.388 18.896 -6.432 229 HZ2 LYS 25 HZ2 LYS 25 7.900 18.907 -5.632 230 HZ3 LYS 25 HZ3 LYS 25 9.018 17.682 -5.317 231 H GLY 26 HN GLY 26 15.314 15.975 -5.776 232 HA2 GLY 26 HA2 GLY 26 17.620 15.992 -5.813 233 HA3 GLY 26 HA1 GLY 26 17.575 17.620 -5.153 234 H GLY 27 HN GLY 27 15.884 15.092 -3.499 235 HA2 GLY 27 HA2 GLY 27 17.415 15.484 -1.124 236 HA3 GLY 27 HA1 GLY 27 16.162 14.275 -1.367 237 HA PRO 28 HA PRO 28 20.576 12.445 -1.411 238 HB2 PRO 28 HB2 PRO 28 20.502 11.197 1.006 239 HB3 PRO 28 HB1 PRO 28 21.130 12.832 0.783 240 HG2 PRO 28 HG2 PRO 28 18.443 11.952 1.762 241 HG3 PRO 28 HG1 PRO 28 19.489 13.246 2.376 242 HD2 PRO 28 HD2 PRO 28 17.365 13.737 0.780 243 HD3 PRO 28 HD1 PRO 28 18.838 14.725 0.728 244 H LEU 29 HN LEU 29 20.780 10.452 -2.294 245 HA LEU 29 HA LEU 29 18.461 8.790 -2.537 246 HB2 LEU 29 HB2 LEU 29 21.325 8.320 -3.373 247 HB3 LEU 29 HB1 LEU 29 19.989 7.261 -3.772 248 HG LEU 29 HG LEU 29 20.287 10.126 -4.679 249 HD11 LEU 29 HD11 LEU 29 20.603 9.133 -6.898 250 HD12 LEU 29 HD12 LEU 29 20.575 7.525 -6.175 251 HD13 LEU 29 HD13 LEU 29 21.870 8.650 -5.773 252 HD21 LEU 29 HD21 LEU 29 18.353 9.630 -6.112 253 HD22 LEU 29 HD22 LEU 29 17.950 9.537 -4.398 254 HD23 LEU 29 HD23 LEU 29 18.190 8.058 -5.329 255 H VAL 30 HN VAL 30 17.800 7.643 -0.884 256 HA VAL 30 HA VAL 30 19.783 6.336 0.836 257 HB VAL 30 HB VAL 30 17.926 6.281 2.548 258 HG11 VAL 30 HG11 VAL 30 18.232 8.628 3.211 259 HG12 VAL 30 HG12 VAL 30 18.894 8.982 1.616 260 HG13 VAL 30 HG13 VAL 30 19.747 7.884 2.701 261 HG21 VAL 30 HG21 VAL 30 16.647 8.250 0.649 262 HG22 VAL 30 HG22 VAL 30 16.084 7.866 2.276 263 HG23 VAL 30 HG23 VAL 30 16.048 6.632 1.017 264 H ALA 31 HN ALA 31 19.390 4.199 1.510 265 HA ALA 31 HA ALA 31 17.962 2.634 -0.466 266 HB1 ALA 31 HB1 ALA 31 20.191 1.935 0.244 267 HB2 ALA 31 HB2 ALA 31 18.988 0.703 0.628 268 HB3 ALA 31 HB3 ALA 31 19.614 1.753 1.900 269 H VAL 32 HN VAL 32 15.798 2.964 -0.072 270 HA VAL 32 HA VAL 32 14.690 2.634 2.551 271 HB VAL 32 HB VAL 32 13.587 4.156 1.015 272 HG11 VAL 32 HG11 VAL 32 14.133 3.081 -1.095 273 HG12 VAL 32 HG12 VAL 32 12.396 3.357 -0.970 274 HG13 VAL 32 HG13 VAL 32 13.053 1.741 -0.711 275 HG21 VAL 32 HG21 VAL 32 11.894 1.730 1.601 276 HG22 VAL 32 HG22 VAL 32 11.281 3.339 1.218 277 HG23 VAL 32 HG23 VAL 32 12.206 3.077 2.697 278 H GLU 33 HN GLU 33 13.956 0.852 3.475 279 HA GLU 33 HA GLU 33 13.815 -1.597 1.845 280 HB2 GLU 33 HB2 GLU 33 14.582 -1.303 4.757 281 HB3 GLU 33 HB1 GLU 33 14.455 -2.825 3.886 282 HG2 GLU 33 HG2 GLU 33 16.273 -2.170 2.425 283 HG3 GLU 33 HG1 GLU 33 16.376 -0.605 3.229 284 H ILE 34 HN ILE 34 12.234 -3.176 2.552 285 HA ILE 34 HA ILE 34 9.740 -1.970 3.160 286 HB ILE 34 HB ILE 34 9.995 -4.001 1.745 287 HG12 ILE 34 HG12 ILE 34 8.016 -5.206 2.651 288 HG13 ILE 34 HG11 ILE 34 8.168 -4.280 4.141 289 HG21 ILE 34 HG21 ILE 34 11.654 -5.198 3.031 290 HG22 ILE 34 HG22 ILE 34 10.213 -6.195 2.825 291 HG23 ILE 34 HG23 ILE 34 10.516 -5.392 4.365 292 HD11 ILE 34 HD11 ILE 34 7.642 -3.134 1.408 293 HD12 ILE 34 HD12 ILE 34 7.761 -2.222 2.912 294 HD13 ILE 34 HD13 ILE 34 6.447 -3.371 2.681 295 H ASP 35 HN ASP 35 12.267 -3.211 5.101 296 HA ASP 35 HA ASP 35 10.507 -3.532 7.423 297 HB2 ASP 35 HB2 ASP 35 13.406 -4.277 7.020 298 HB3 ASP 35 HB1 ASP 35 12.532 -4.492 8.530 299 H SER 36 HN SER 36 12.282 -1.109 6.014 300 HA SER 36 HA SER 36 13.444 -0.066 8.458 301 HB2 SER 36 HB2 SER 36 14.254 1.777 6.991 302 HB3 SER 36 HB1 SER 36 14.744 0.183 6.427 303 HG SER 36 HG SER 36 12.365 0.882 5.356 304 H ARG 37 HN ARG 37 12.989 2.038 9.278 305 HA ARG 37 HA ARG 37 10.179 2.762 9.149 306 HB2 ARG 37 HB2 ARG 37 12.476 3.935 10.733 307 HB3 ARG 37 HB1 ARG 37 10.791 4.400 10.907 308 HG2 ARG 37 HG2 ARG 37 10.247 2.134 11.639 309 HG3 ARG 37 HG1 ARG 37 11.945 1.684 11.477 310 HD2 ARG 37 HD2 ARG 37 11.347 2.206 13.801 311 HD3 ARG 37 HD1 ARG 37 12.568 3.305 13.164 312 HE ARG 37 HE ARG 37 10.006 4.421 12.784 313 HH11 ARG 37 HH11 ARG 37 12.311 3.727 15.319 314 HH12 ARG 37 HH12 ARG 37 11.745 4.993 16.359 315 HH21 ARG 37 HH21 ARG 37 9.242 6.080 14.147 316 HH22 ARG 37 HH22 ARG 37 9.975 6.325 15.701 317 H PHE 38 HN PHE 38 9.369 4.582 8.242 318 HA PHE 38 HA PHE 38 10.646 5.783 6.077 319 HB2 PHE 38 HB2 PHE 38 8.327 6.755 7.749 320 HB3 PHE 38 HB1 PHE 38 8.830 7.513 6.243 321 HD1 PHE 38 HD1 PHE 38 6.909 4.907 7.752 322 HD2 PHE 38 HD2 PHE 38 8.763 6.131 4.124 323 HE1 PHE 38 HE1 PHE 38 5.509 3.316 6.507 324 HE2 PHE 38 HE2 PHE 38 7.363 4.543 2.871 325 HZ PHE 38 HZ PHE 38 5.684 3.198 4.040 326 H SER 39 HN SER 39 10.660 6.615 9.441 327 HA SER 39 HA SER 39 11.524 9.265 9.315 328 HB2 SER 39 HB2 SER 39 12.272 7.235 11.425 329 HB3 SER 39 HB1 SER 39 12.134 8.981 11.622 330 HG SER 39 HG SER 39 9.909 8.806 11.279 331 H ASP 40 HN ASP 40 13.284 6.234 9.021 332 HA ASP 40 HA ASP 40 15.877 7.363 9.422 333 HB2 ASP 40 HB2 ASP 40 15.346 4.960 9.808 334 HB3 ASP 40 HB1 ASP 40 15.154 4.756 8.070 335 H LEU 41 HN LEU 41 13.788 6.887 6.686 336 HA LEU 41 HA LEU 41 15.879 7.427 4.765 337 HB2 LEU 41 HB2 LEU 41 12.892 7.145 4.424 338 HB3 LEU 41 HB1 LEU 41 14.006 7.427 3.104 339 HG LEU 41 HG LEU 41 13.645 5.150 2.973 340 HD11 LEU 41 HD11 LEU 41 15.659 4.009 3.744 341 HD12 LEU 41 HD12 LEU 41 16.046 5.388 4.770 342 HD13 LEU 41 HD13 LEU 41 16.025 5.573 3.017 343 HD21 LEU 41 HD21 LEU 41 13.481 3.621 4.839 344 HD22 LEU 41 HD22 LEU 41 12.337 4.949 5.031 345 HD23 LEU 41 HD23 LEU 41 13.830 4.928 5.969 346 H GLY 42 HN GLY 42 14.074 9.264 6.844 347 HA2 GLY 42 HA2 GLY 42 14.345 11.585 7.084 348 HA3 GLY 42 HA1 GLY 42 14.808 11.686 5.392 349 H LEU 43 HN LEU 43 12.002 9.857 6.152 350 HA LEU 43 HA LEU 43 10.354 11.963 4.944 351 HB2 LEU 43 HB2 LEU 43 9.824 9.009 5.278 352 HB3 LEU 43 HB1 LEU 43 8.730 10.147 4.517 353 HG LEU 43 HG LEU 43 11.497 9.487 3.497 354 HD11 LEU 43 HD11 LEU 43 10.286 8.282 1.716 355 HD12 LEU 43 HD12 LEU 43 8.783 8.525 2.605 356 HD13 LEU 43 HD13 LEU 43 10.077 7.551 3.305 357 HD21 LEU 43 HD21 LEU 43 10.762 11.718 2.868 358 HD22 LEU 43 HD22 LEU 43 9.231 11.068 2.284 359 HD23 LEU 43 HD23 LEU 43 10.736 10.645 1.469 360 H SER 44 HN SER 44 9.437 13.217 6.429 361 HA SER 44 HA SER 44 8.648 12.116 9.002 362 HB2 SER 44 HB2 SER 44 9.802 14.341 8.813 363 HB3 SER 44 HB1 SER 44 8.371 14.959 7.989 364 HG SER 44 HG SER 44 8.809 14.517 10.652 365 H SER 45 HN SER 45 6.399 13.343 9.721 366 HA SER 45 HA SER 45 4.376 11.911 8.401 367 HB2 SER 45 HB2 SER 45 2.855 13.480 9.748 368 HB3 SER 45 HB1 SER 45 4.001 12.500 10.664 369 HG SER 45 HG SER 45 4.177 14.567 11.425 370 H LEU 46 HN LEU 46 5.406 15.266 8.189 371 HA LEU 46 HA LEU 46 3.409 16.242 6.486 372 HB2 LEU 46 HB2 LEU 46 6.304 17.094 6.637 373 HB3 LEU 46 HB1 LEU 46 4.984 18.039 5.971 374 HG LEU 46 HG LEU 46 5.231 17.217 8.868 375 HD11 LEU 46 HD11 LEU 46 5.697 19.886 7.550 376 HD12 LEU 46 HD12 LEU 46 6.937 18.840 8.238 377 HD13 LEU 46 HD13 LEU 46 5.721 19.570 9.285 378 HD21 LEU 46 HD21 LEU 46 3.393 18.803 9.216 379 HD22 LEU 46 HD22 LEU 46 2.919 17.465 8.171 380 HD23 LEU 46 HD23 LEU 46 3.279 19.045 7.474 381 H ASP 47 HN ASP 47 6.476 14.641 5.805 382 HA ASP 47 HA ASP 47 6.322 14.924 2.970 383 HB2 ASP 47 HB2 ASP 47 7.895 12.902 4.588 384 HB3 ASP 47 HB1 ASP 47 8.159 13.308 2.897 385 H LEU 48 HN LEU 48 5.590 12.340 5.261 386 HA LEU 48 HA LEU 48 4.864 10.385 3.385 387 HB2 LEU 48 HB2 LEU 48 4.050 10.758 6.262 388 HB3 LEU 48 HB1 LEU 48 3.637 9.341 5.314 389 HG LEU 48 HG LEU 48 6.450 10.244 5.947 390 HD11 LEU 48 HD11 LEU 48 6.526 8.297 7.414 391 HD12 LEU 48 HD12 LEU 48 4.830 7.960 7.068 392 HD13 LEU 48 HD13 LEU 48 5.279 9.433 7.929 393 HD21 LEU 48 HD21 LEU 48 6.328 9.078 3.827 394 HD22 LEU 48 HD22 LEU 48 5.399 7.777 4.569 395 HD23 LEU 48 HD23 LEU 48 7.077 8.043 5.043 396 H ALA 49 HN ALA 49 2.971 12.923 4.950 397 HA ALA 49 HA ALA 49 0.417 12.142 4.184 398 HB1 ALA 49 HB1 ALA 49 -0.199 14.500 4.343 399 HB2 ALA 49 HB2 ALA 49 1.505 14.955 4.312 400 HB3 ALA 49 HB3 ALA 49 0.863 14.036 5.672 401 H THR 50 HN THR 50 2.799 14.059 2.394 402 HA THR 50 HA THR 50 1.229 14.360 0.049 403 HB THR 50 HB THR 50 4.246 14.428 0.230 404 HG1 THR 50 HG1 THR 50 2.573 16.689 0.571 405 HG21 THR 50 HG21 THR 50 4.043 16.073 -1.579 406 HG22 THR 50 HG22 THR 50 2.292 15.877 -1.563 407 HG23 THR 50 HG23 THR 50 3.323 14.529 -2.038 408 H LEU 51 HN LEU 51 3.809 12.135 1.004 409 HA LEU 51 HA LEU 51 4.124 10.726 -1.373 410 HB2 LEU 51 HB2 LEU 51 5.604 10.570 0.604 411 HB3 LEU 51 HB1 LEU 51 4.353 9.680 1.450 412 HG LEU 51 HG LEU 51 4.522 7.930 -0.370 413 HD11 LEU 51 HD11 LEU 51 6.613 7.885 -1.644 414 HD12 LEU 51 HD12 LEU 51 7.022 9.481 -1.018 415 HD13 LEU 51 HD13 LEU 51 5.616 9.278 -2.062 416 HD21 LEU 51 HD21 LEU 51 6.509 6.902 0.609 417 HD22 LEU 51 HD22 LEU 51 5.484 7.623 1.850 418 HD23 LEU 51 HD23 LEU 51 6.955 8.446 1.334 419 H ILE 52 HN ILE 52 2.063 9.925 1.419 420 HA ILE 52 HA ILE 52 0.993 7.579 0.250 421 HB ILE 52 HB ILE 52 -0.150 9.246 2.500 422 HG12 ILE 52 HG12 ILE 52 1.629 6.798 2.595 423 HG13 ILE 52 HG11 ILE 52 2.169 8.446 2.894 424 HG21 ILE 52 HG21 ILE 52 -1.806 7.730 1.545 425 HG22 ILE 52 HG22 ILE 52 -1.316 7.189 3.151 426 HG23 ILE 52 HG23 ILE 52 -0.683 6.381 1.717 427 HD11 ILE 52 HD11 ILE 52 1.828 7.239 4.969 428 HD12 ILE 52 HD12 ILE 52 0.149 6.927 4.527 429 HD13 ILE 52 HD13 ILE 52 0.690 8.579 4.828 430 H SER 53 HN SER 53 0.004 10.958 0.175 431 HA SER 53 HA SER 53 -2.589 10.573 -0.844 432 HB2 SER 53 HB2 SER 53 -0.654 12.868 -1.184 433 HB3 SER 53 HB1 SER 53 -2.321 12.907 -1.759 434 HG SER 53 HG SER 53 -1.349 12.796 0.893 435 H ASN 54 HN ASN 54 0.537 10.908 -2.486 436 HA ASN 54 HA ASN 54 -0.552 10.699 -5.109 437 HB2 ASN 54 HB2 ASN 54 2.246 10.214 -4.073 438 HB3 ASN 54 HB1 ASN 54 1.815 10.165 -5.779 439 HD21 ASN 54 HD21 ASN 54 3.682 11.905 -4.465 440 HD22 ASN 54 HD22 ASN 54 3.127 13.523 -4.729 441 H LEU 55 HN LEU 55 0.780 8.407 -2.798 442 HA LEU 55 HA LEU 55 0.743 6.124 -4.439 443 HB2 LEU 55 HB2 LEU 55 1.891 6.388 -2.218 444 HB3 LEU 55 HB1 LEU 55 0.323 6.225 -1.454 445 HG LEU 55 HG LEU 55 0.125 3.959 -2.496 446 HD11 LEU 55 HD11 LEU 55 2.225 2.914 -3.292 447 HD12 LEU 55 HD12 LEU 55 2.996 4.499 -3.241 448 HD13 LEU 55 HD13 LEU 55 1.650 4.208 -4.344 449 HD21 LEU 55 HD21 LEU 55 1.630 2.882 -0.912 450 HD22 LEU 55 HD22 LEU 55 0.825 4.265 -0.173 451 HD23 LEU 55 HD23 LEU 55 2.504 4.398 -0.696 452 H GLU 56 HN GLU 56 -1.671 7.568 -2.321 453 HA GLU 56 HA GLU 56 -3.709 5.694 -2.458 454 HB2 GLU 56 HB2 GLU 56 -3.787 7.653 -1.004 455 HB3 GLU 56 HB1 GLU 56 -3.878 8.716 -2.399 456 HG2 GLU 56 HG2 GLU 56 -6.047 7.576 -2.977 457 HG3 GLU 56 HG1 GLU 56 -5.964 6.809 -1.392 458 H ALA 57 HN ALA 57 -2.945 8.351 -4.666 459 HA ALA 57 HA ALA 57 -5.128 7.976 -6.416 460 HB1 ALA 57 HB1 ALA 57 -3.930 9.442 -7.929 461 HB2 ALA 57 HB2 ALA 57 -2.444 9.213 -7.012 462 HB3 ALA 57 HB3 ALA 57 -3.812 10.049 -6.279 463 H VAL 58 HN VAL 58 -2.032 6.428 -6.159 464 HA VAL 58 HA VAL 58 -1.907 5.352 -8.786 465 HB VAL 58 HB VAL 58 -0.561 4.427 -6.240 466 HG11 VAL 58 HG11 VAL 58 -0.642 2.631 -7.889 467 HG12 VAL 58 HG12 VAL 58 1.002 3.237 -7.686 468 HG13 VAL 58 HG13 VAL 58 0.058 3.704 -9.100 469 HG21 VAL 58 HG21 VAL 58 0.458 6.141 -8.502 470 HG22 VAL 58 HG22 VAL 58 1.397 5.599 -7.111 471 HG23 VAL 58 HG23 VAL 58 0.039 6.702 -6.884 472 H TYR 59 HN TYR 59 -3.190 4.155 -5.717 473 HA TYR 59 HA TYR 59 -3.911 1.630 -6.995 474 HB2 TYR 59 HB2 TYR 59 -4.132 2.516 -4.116 475 HB3 TYR 59 HB1 TYR 59 -4.632 0.939 -4.712 476 HD1 TYR 59 HD1 TYR 59 -2.804 -0.457 -5.920 477 HD2 TYR 59 HD2 TYR 59 -1.965 2.822 -3.347 478 HE1 TYR 59 HE1 TYR 59 -0.521 -1.302 -5.596 479 HE2 TYR 59 HE2 TYR 59 0.323 1.986 -3.016 480 HH TYR 59 HH TYR 59 1.682 -0.457 -4.945 481 H GLY 60 HN GLY 60 -5.452 4.351 -5.329 482 HA2 GLY 60 HA2 GLY 60 -7.601 5.196 -5.741 483 HA3 GLY 60 HA1 GLY 60 -7.959 3.766 -6.703 484 H THR 61 HN THR 61 -6.537 2.612 -4.043 485 HA THR 61 HA THR 61 -9.087 2.259 -2.626 486 HB THR 61 HB THR 61 -7.927 0.061 -1.852 487 HG1 THR 61 HG1 THR 61 -6.634 -0.600 -3.909 488 HG21 THR 61 HG21 THR 61 -8.815 -1.148 -3.789 489 HG22 THR 61 HG22 THR 61 -8.904 0.363 -4.693 490 HG23 THR 61 HG23 THR 61 -9.921 0.126 -3.271 491 H ASP 62 HN ASP 62 -8.948 1.921 -0.359 492 HA ASP 62 HA ASP 62 -8.347 2.426 1.748 493 HB2 ASP 62 HB2 ASP 62 -6.630 0.667 1.173 494 HB3 ASP 62 HB1 ASP 62 -5.493 1.982 0.885 495 HA PRO 63 HA PRO 63 -7.104 6.796 0.829 496 HB2 PRO 63 HB2 PRO 63 -9.385 7.925 1.708 497 HB3 PRO 63 HB1 PRO 63 -9.229 7.302 0.059 498 HG2 PRO 63 HG2 PRO 63 -10.481 6.016 2.458 499 HG3 PRO 63 HG1 PRO 63 -11.097 6.119 0.797 500 HD2 PRO 63 HD2 PRO 63 -9.860 3.908 1.754 501 HD3 PRO 63 HD1 PRO 63 -9.752 4.407 0.056 502 H PHE 64 HN PHE 64 -7.301 8.639 2.481 503 HA PHE 64 HA PHE 64 -6.032 7.814 4.872 504 HB2 PHE 64 HB2 PHE 64 -7.100 10.471 3.942 505 HB3 PHE 64 HB1 PHE 64 -6.305 10.269 5.496 506 HD1 PHE 64 HD1 PHE 64 -4.047 10.615 5.635 507 HD2 PHE 64 HD2 PHE 64 -5.740 9.588 1.866 508 HE1 PHE 64 HE1 PHE 64 -1.860 10.956 4.563 509 HE2 PHE 64 HE2 PHE 64 -3.559 9.927 0.790 510 HZ PHE 64 HZ PHE 64 -1.615 10.616 2.136 511 H ALA 65 HN ALA 65 -9.115 7.303 4.258 512 HA ALA 65 HA ALA 65 -10.547 8.372 6.425 513 HB1 ALA 65 HB1 ALA 65 -11.630 7.349 4.483 514 HB2 ALA 65 HB2 ALA 65 -12.182 6.614 5.988 515 HB3 ALA 65 HB3 ALA 65 -11.015 5.770 4.969 516 H ASP 66 HN ASP 66 -8.752 5.331 6.060 517 HA ASP 66 HA ASP 66 -8.839 5.036 8.990 518 HB2 ASP 66 HB2 ASP 66 -9.694 3.084 7.732 519 HB3 ASP 66 HB1 ASP 66 -8.140 2.947 6.914 520 H ALA 67 HN ALA 67 -6.800 5.373 6.196 521 HA ALA 67 HA ALA 67 -4.335 4.852 7.572 522 HB1 ALA 67 HB1 ALA 67 -4.595 4.410 5.172 523 HB2 ALA 67 HB2 ALA 67 -3.266 5.525 5.495 524 HB3 ALA 67 HB3 ALA 67 -4.801 6.138 4.883 525 H VAL 68 HN VAL 68 -6.106 6.962 8.635 526 HA VAL 68 HA VAL 68 -4.656 9.432 8.214 527 HB VAL 68 HB VAL 68 -7.134 9.377 8.624 528 HG11 VAL 68 HG11 VAL 68 -7.900 9.212 10.974 529 HG12 VAL 68 HG12 VAL 68 -6.293 8.645 11.423 530 HG13 VAL 68 HG13 VAL 68 -7.291 7.690 10.328 531 HG21 VAL 68 HG21 VAL 68 -5.492 11.002 10.559 532 HG22 VAL 68 HG22 VAL 68 -7.159 11.337 10.094 533 HG23 VAL 68 HG23 VAL 68 -5.872 11.431 8.891 534 H ALA 69 HN ALA 69 -4.501 6.707 10.248 535 HA ALA 69 HA ALA 69 -3.215 7.964 12.484 536 HB1 ALA 69 HB1 ALA 69 -4.532 5.910 12.748 537 HB2 ALA 69 HB2 ALA 69 -2.872 5.692 13.301 538 HB3 ALA 69 HB3 ALA 69 -3.374 5.043 11.740 539 H ILE 70 HN ILE 70 -1.707 9.067 10.880 540 HA ILE 70 HA ILE 70 0.362 7.619 9.618 541 HB ILE 70 HB ILE 70 -0.280 9.937 9.018 542 HG12 ILE 70 HG12 ILE 70 2.040 10.809 8.714 543 HG13 ILE 70 HG11 ILE 70 2.619 9.528 9.774 544 HG21 ILE 70 HG21 ILE 70 0.583 11.815 10.345 545 HG22 ILE 70 HG22 ILE 70 1.105 10.676 11.586 546 HG23 ILE 70 HG23 ILE 70 -0.611 10.859 11.224 547 HD11 ILE 70 HD11 ILE 70 2.932 8.980 7.422 548 HD12 ILE 70 HD12 ILE 70 1.195 9.121 7.156 549 HD13 ILE 70 HD13 ILE 70 1.828 7.854 8.206 550 H THR 71 HN THR 71 -0.152 8.576 12.872 551 HA THR 71 HA THR 71 2.536 8.432 13.794 552 HB THR 71 HB THR 71 1.293 8.043 16.044 553 HG1 THR 71 HG1 THR 71 -0.805 7.840 15.871 554 HG21 THR 71 HG21 THR 71 0.729 10.423 16.196 555 HG22 THR 71 HG22 THR 71 0.813 10.558 14.440 556 HG23 THR 71 HG23 THR 71 2.268 10.188 15.366 557 H SER 72 HN SER 72 0.101 6.117 13.034 558 HA SER 72 HA SER 72 1.395 3.984 14.526 559 HB2 SER 72 HB2 SER 72 -1.011 3.876 12.690 560 HB3 SER 72 HB1 SER 72 -0.490 2.621 13.817 561 HG SER 72 HG SER 72 -0.758 4.327 15.477 562 H ILE 73 HN ILE 73 1.630 5.449 11.512 563 HA ILE 73 HA ILE 73 2.564 3.104 10.083 564 HB ILE 73 HB ILE 73 2.623 6.027 9.289 565 HG12 ILE 73 HG12 ILE 73 0.338 5.119 9.542 566 HG13 ILE 73 HG11 ILE 73 0.713 5.497 7.864 567 HG21 ILE 73 HG21 ILE 73 4.340 4.741 8.133 568 HG22 ILE 73 HG22 ILE 73 3.053 5.210 7.021 569 HG23 ILE 73 HG23 ILE 73 3.132 3.558 7.631 570 HD11 ILE 73 HD11 ILE 73 1.122 3.134 7.423 571 HD12 ILE 73 HD12 ILE 73 -0.503 3.404 8.054 572 HD13 ILE 73 HD13 ILE 73 0.756 2.754 9.106 573 H VAL 74 HN VAL 74 4.394 2.345 10.998 574 HA VAL 74 HA VAL 74 6.540 4.254 11.617 575 HB VAL 74 HB VAL 74 6.188 1.407 12.574 576 HG11 VAL 74 HG11 VAL 74 8.520 1.990 12.493 577 HG12 VAL 74 HG12 VAL 74 7.983 1.973 14.171 578 HG13 VAL 74 HG13 VAL 74 8.208 3.507 13.333 579 HG21 VAL 74 HG21 VAL 74 5.747 4.017 14.012 580 HG22 VAL 74 HG22 VAL 74 5.676 2.417 14.750 581 HG23 VAL 74 HG23 VAL 74 4.501 2.873 13.517 582 H THR 75 HN THR 75 6.204 0.898 10.458 583 HA THR 75 HA THR 75 8.697 1.203 8.970 584 HB THR 75 HB THR 75 8.429 -1.263 8.550 585 HG1 THR 75 HG1 THR 75 6.668 -1.639 10.605 586 HG21 THR 75 HG21 THR 75 9.843 -0.455 10.366 587 HG22 THR 75 HG22 THR 75 9.013 -1.937 10.842 588 HG23 THR 75 HG23 THR 75 8.445 -0.377 11.439 589 H VAL 76 HN VAL 76 8.820 0.561 6.742 590 HA VAL 76 HA VAL 76 6.767 1.610 5.122 591 HB VAL 76 HB VAL 76 8.995 -0.271 4.304 592 HG11 VAL 76 HG11 VAL 76 8.708 0.672 2.070 593 HG12 VAL 76 HG12 VAL 76 7.359 1.650 2.650 594 HG13 VAL 76 HG13 VAL 76 7.226 -0.108 2.624 595 HG21 VAL 76 HG21 VAL 76 8.906 2.743 4.391 596 HG22 VAL 76 HG22 VAL 76 10.191 1.790 3.651 597 HG23 VAL 76 HG23 VAL 76 9.909 1.690 5.387 598 H ALA 77 HN ALA 77 7.418 -1.558 6.360 599 HA ALA 77 HA ALA 77 5.907 -3.161 4.672 600 HB1 ALA 77 HB1 ALA 77 7.431 -4.022 6.388 601 HB2 ALA 77 HB2 ALA 77 5.831 -4.757 6.498 602 HB3 ALA 77 HB3 ALA 77 6.305 -3.499 7.640 603 H ASP 78 HN ASP 78 4.895 -1.329 7.545 604 HA ASP 78 HA ASP 78 2.304 -2.417 7.706 605 HB2 ASP 78 HB2 ASP 78 3.456 -1.126 9.526 606 HB3 ASP 78 HB1 ASP 78 3.138 0.343 8.612 607 H LEU 79 HN LEU 79 3.554 0.424 6.027 608 HA LEU 79 HA LEU 79 1.002 1.343 5.154 609 HB2 LEU 79 HB2 LEU 79 2.976 2.811 5.331 610 HB3 LEU 79 HB1 LEU 79 3.741 1.926 4.026 611 HG LEU 79 HG LEU 79 1.888 2.645 2.518 612 HD11 LEU 79 HD11 LEU 79 1.116 4.359 4.873 613 HD12 LEU 79 HD12 LEU 79 0.168 3.045 4.175 614 HD13 LEU 79 HD13 LEU 79 0.467 4.510 3.241 615 HD21 LEU 79 HD21 LEU 79 2.676 4.945 2.268 616 HD22 LEU 79 HD22 LEU 79 4.014 3.832 2.547 617 HD23 LEU 79 HD23 LEU 79 3.434 4.860 3.857 618 H ALA 80 HN ALA 80 3.608 -0.507 3.603 619 HA ALA 80 HA ALA 80 2.363 -0.739 1.082 620 HB1 ALA 80 HB1 ALA 80 4.386 -2.578 2.355 621 HB2 ALA 80 HB2 ALA 80 4.756 -1.123 1.429 622 HB3 ALA 80 HB3 ALA 80 3.987 -2.501 0.639 623 H ARG 81 HN ARG 81 2.319 -2.791 3.953 624 HA ARG 81 HA ARG 81 0.942 -4.971 2.810 625 HB2 ARG 81 HB2 ARG 81 2.226 -5.041 4.931 626 HB3 ARG 81 HB1 ARG 81 0.977 -4.072 5.694 627 HG2 ARG 81 HG2 ARG 81 -0.622 -5.829 5.471 628 HG3 ARG 81 HG1 ARG 81 0.487 -6.779 4.478 629 HD2 ARG 81 HD2 ARG 81 0.973 -5.985 7.346 630 HD3 ARG 81 HD1 ARG 81 0.384 -7.561 6.821 631 HE ARG 81 HE ARG 81 2.535 -7.767 5.583 632 HH11 ARG 81 HH11 ARG 81 2.319 -5.590 8.318 633 HH12 ARG 81 HH12 ARG 81 4.005 -5.714 8.708 634 HH21 ARG 81 HH21 ARG 81 4.758 -7.926 6.094 635 HH22 ARG 81 HH22 ARG 81 5.389 -7.041 7.451 636 H ALA 82 HN ALA 82 -0.153 -1.956 4.210 637 HA ALA 82 HA ALA 82 -2.872 -2.621 4.551 638 HB1 ALA 82 HB1 ALA 82 -1.643 0.071 3.975 639 HB2 ALA 82 HB2 ALA 82 -1.859 -0.651 5.569 640 HB3 ALA 82 HB3 ALA 82 -3.266 -0.214 4.602 641 H TYR 83 HN TYR 83 -1.057 -1.395 1.786 642 HA TYR 83 HA TYR 83 -3.464 -1.246 0.172 643 HB2 TYR 83 HB2 TYR 83 -0.569 -0.636 -0.407 644 HB3 TYR 83 HB1 TYR 83 -1.819 -0.579 -1.646 645 HD1 TYR 83 HD1 TYR 83 -0.282 1.136 1.120 646 HD2 TYR 83 HD2 TYR 83 -3.716 1.062 -1.389 647 HE1 TYR 83 HE1 TYR 83 -0.809 3.440 1.785 648 HE2 TYR 83 HE2 TYR 83 -4.251 3.369 -0.730 649 HH TYR 83 HH TYR 83 -2.029 5.349 0.961 650 H ALA 84 HN ALA 84 -1.121 -3.550 0.972 651 HA ALA 84 HA ALA 84 -1.267 -5.073 -1.459 652 HB1 ALA 84 HB1 ALA 84 -0.282 -5.918 1.265 653 HB2 ALA 84 HB2 ALA 84 0.703 -5.167 0.010 654 HB3 ALA 84 HB3 ALA 84 -0.002 -6.760 -0.259 655 H GLN 85 HN GLN 85 -2.967 -4.991 1.594 656 HA GLN 85 HA GLN 85 -4.338 -7.494 1.061 657 HB2 GLN 85 HB2 GLN 85 -5.457 -7.088 3.228 658 HB3 GLN 85 HB1 GLN 85 -3.705 -7.051 3.353 659 HG2 GLN 85 HG2 GLN 85 -3.720 -4.642 3.433 660 HG3 GLN 85 HG1 GLN 85 -5.464 -4.617 3.178 661 HE21 GLN 85 HE21 GLN 85 -5.789 -3.493 5.102 662 HE22 GLN 85 HE22 GLN 85 -5.646 -4.257 6.646 663 H GLN 86 HN GLN 86 -4.713 -5.050 -0.653 664 HA GLN 86 HA GLN 86 -7.452 -4.281 -0.202 665 HB2 GLN 86 HB2 GLN 86 -7.272 -2.992 -2.216 666 HB3 GLN 86 HB1 GLN 86 -5.780 -2.779 -1.310 667 HG2 GLN 86 HG2 GLN 86 -4.631 -4.326 -2.760 668 HG3 GLN 86 HG1 GLN 86 -6.130 -4.671 -3.623 669 HE21 GLN 86 HE21 GLN 86 -3.592 -2.383 -3.086 670 HE22 GLN 86 HE22 GLN 86 -3.973 -1.342 -4.418 671 H GLY 87 HN GLY 87 -9.133 -4.661 -1.869 672 HA2 GLY 87 HA2 GLY 87 -10.006 -6.017 -3.638 673 HA3 GLY 87 HA1 GLY 87 -8.764 -7.212 -3.285 674 H VAL 88 HN VAL 88 -11.229 -5.525 -1.363 675 HA VAL 88 HA VAL 88 -11.987 -8.124 -0.243 676 HB VAL 88 HB VAL 88 -11.414 -6.614 1.497 677 HG11 VAL 88 HG11 VAL 88 -13.302 -4.636 0.225 678 HG12 VAL 88 HG12 VAL 88 -11.545 -4.506 0.326 679 HG13 VAL 88 HG13 VAL 88 -12.521 -4.421 1.792 680 HG21 VAL 88 HG21 VAL 88 -13.514 -6.396 2.755 681 HG22 VAL 88 HG22 VAL 88 -13.353 -7.973 1.984 682 HG23 VAL 88 HG23 VAL 88 -14.414 -6.753 1.281 683 HA PRO 89 HA PRO 89 -15.594 -8.024 -2.790 684 HB2 PRO 89 HB2 PRO 89 -16.942 -10.015 -1.475 685 HB3 PRO 89 HB1 PRO 89 -15.654 -10.311 -2.647 686 HG2 PRO 89 HG2 PRO 89 -15.525 -10.272 0.343 687 HG3 PRO 89 HG1 PRO 89 -14.761 -11.397 -0.797 688 HD2 PRO 89 HD2 PRO 89 -13.388 -9.381 0.359 689 HD3 PRO 89 HD1 PRO 89 -13.050 -9.922 -1.300 690 H GLY 90 HN GLY 90 -16.787 -6.214 -2.471 691 HA2 GLY 90 HA2 GLY 90 -19.068 -6.278 -0.871 692 HA3 GLY 90 HA1 GLY 90 -17.837 -5.395 0.018 693 HA PRO 91 HA PRO 91 -20.085 -2.434 -2.795 694 HB2 PRO 91 HB2 PRO 91 -20.329 -0.800 -0.382 695 HB3 PRO 91 HB1 PRO 91 -21.596 -1.383 -1.463 696 HG2 PRO 91 HG2 PRO 91 -21.291 -2.324 1.051 697 HG3 PRO 91 HG1 PRO 91 -21.895 -3.332 -0.278 698 HD2 PRO 91 HD2 PRO 91 -19.149 -3.216 0.917 699 HD3 PRO 91 HD1 PRO 91 -20.098 -4.631 0.413 700 H SER 92 HN SER 92 -19.117 -0.728 -3.760 701 HA SER 92 HA SER 92 -16.459 -0.014 -3.067 702 HB2 SER 92 HB2 SER 92 -18.400 1.370 -4.940 703 HB3 SER 92 HB1 SER 92 -16.654 1.617 -4.894 704 HG SER 92 HG SER 92 -16.947 -0.956 -5.122 705 HA PRO 93 HA PRO 93 -17.760 2.854 0.070 706 HB2 PRO 93 HB2 PRO 93 -15.352 3.382 1.105 707 HB3 PRO 93 HB1 PRO 93 -16.114 1.800 1.294 708 HG2 PRO 93 HG2 PRO 93 -13.976 2.654 -0.615 709 HG3 PRO 93 HG1 PRO 93 -14.102 1.157 0.326 710 HD2 PRO 93 HD2 PRO 93 -14.800 1.390 -2.325 711 HD3 PRO 93 HD1 PRO 93 -15.458 0.165 -1.222 712 H ASP 94 HN ASP 94 -16.371 3.699 -2.785 713 HA ASP 94 HA ASP 94 -16.749 6.517 -2.202 714 HB2 ASP 94 HB2 ASP 94 -14.320 6.092 -1.802 715 HB3 ASP 94 HB1 ASP 94 -14.177 5.561 -3.477 716 HA PRO 95 HA PRO 95 -18.698 5.652 -6.152 717 HB2 PRO 95 HB2 PRO 95 -19.707 8.390 -5.926 718 HB3 PRO 95 HB1 PRO 95 -20.606 6.872 -5.988 719 HG2 PRO 95 HG2 PRO 95 -20.426 8.360 -3.740 720 HG3 PRO 95 HG1 PRO 95 -20.550 6.592 -3.709 721 HD2 PRO 95 HD2 PRO 95 -18.142 8.333 -3.350 722 HD3 PRO 95 HD1 PRO 95 -18.596 6.843 -2.498 723 H LEU 96 HN LEU 96 -16.820 8.470 -5.317 724 HA LEU 96 HA LEU 96 -16.681 9.606 -7.899 725 HB2 LEU 96 HB2 LEU 96 -14.952 9.903 -5.456 726 HB3 LEU 96 HB1 LEU 96 -14.574 10.726 -6.953 727 HG LEU 96 HG LEU 96 -15.695 12.275 -5.528 728 HD11 LEU 96 HD11 LEU 96 -17.670 11.300 -7.581 729 HD12 LEU 96 HD12 LEU 96 -16.295 12.354 -7.905 730 HD13 LEU 96 HD13 LEU 96 -17.607 12.909 -6.865 731 HD21 LEU 96 HD21 LEU 96 -16.771 10.699 -4.016 732 HD22 LEU 96 HD22 LEU 96 -17.915 10.252 -5.281 733 HD23 LEU 96 HD23 LEU 96 -17.925 11.887 -4.620 734 H ASP 97 HN ASP 97 -14.365 7.586 -6.096 735 HA ASP 97 HA ASP 97 -12.481 7.297 -8.147 736 HB2 ASP 97 HB2 ASP 97 -11.776 6.577 -6.031 737 HB3 ASP 97 HB1 ASP 97 -13.220 5.602 -5.779 738 H ALA 98 HN ALA 98 -15.388 5.436 -7.423 739 HA ALA 98 HA ALA 98 -14.996 3.404 -9.332 740 HB1 ALA 98 HB1 ALA 98 -17.580 4.470 -8.203 741 HB2 ALA 98 HB2 ALA 98 -16.588 3.192 -7.500 742 HB3 ALA 98 HB3 ALA 98 -17.378 2.940 -9.056 743 H GLN 99 HN GLN 99 -16.322 6.634 -9.556 744 HA GLN 99 HA GLN 99 -17.266 6.260 -12.250 745 HB2 GLN 99 HB2 GLN 99 -16.889 8.783 -10.627 746 HB3 GLN 99 HB1 GLN 99 -17.633 8.716 -12.218 747 HG2 GLN 99 HG2 GLN 99 -18.654 7.504 -9.665 748 HG3 GLN 99 HG1 GLN 99 -19.370 8.815 -10.602 749 HE21 GLN 99 HE21 GLN 99 -20.440 8.336 -12.530 750 HE22 GLN 99 HE22 GLN 99 -20.970 6.733 -12.902 751 H LEU 100 HN LEU 100 -14.480 7.801 -10.690 752 HA LEU 100 HA LEU 100 -13.259 8.837 -12.996 753 HB2 LEU 100 HB2 LEU 100 -11.981 7.813 -10.460 754 HB3 LEU 100 HB1 LEU 100 -11.167 8.784 -11.671 755 HG LEU 100 HG LEU 100 -13.535 9.698 -10.034 756 HD11 LEU 100 HD11 LEU 100 -11.933 11.084 -8.842 757 HD12 LEU 100 HD12 LEU 100 -10.613 10.387 -9.780 758 HD13 LEU 100 HD13 LEU 100 -11.534 9.375 -8.667 759 HD21 LEU 100 HD21 LEU 100 -12.955 11.918 -10.918 760 HD22 LEU 100 HD22 LEU 100 -13.432 10.798 -12.193 761 HD23 LEU 100 HD23 LEU 100 -11.728 11.176 -11.943 762 H ARG 101 HN ARG 101 -13.412 5.640 -11.711 763 HA ARG 101 HA ARG 101 -11.293 4.444 -13.133 764 HB2 ARG 101 HB2 ARG 101 -12.337 3.341 -11.253 765 HB3 ARG 101 HB1 ARG 101 -13.893 3.334 -12.068 766 HG2 ARG 101 HG2 ARG 101 -12.860 1.845 -13.807 767 HG3 ARG 101 HG1 ARG 101 -11.451 1.719 -12.748 768 HD2 ARG 101 HD2 ARG 101 -12.983 -0.161 -12.422 769 HD3 ARG 101 HD1 ARG 101 -12.855 0.826 -10.967 770 HE ARG 101 HE ARG 101 -15.072 1.433 -12.763 771 HH11 ARG 101 HH11 ARG 101 -14.002 -0.223 -9.859 772 HH12 ARG 101 HH12 ARG 101 -15.597 -0.328 -9.189 773 HH21 ARG 101 HH21 ARG 101 -17.151 1.288 -11.889 774 HH22 ARG 101 HH22 ARG 101 -17.396 0.535 -10.341 775 H ASP 102 HN ASP 102 -14.770 4.692 -13.868 776 HA ASP 102 HA ASP 102 -14.339 3.346 -16.409 777 HB2 ASP 102 HB2 ASP 102 -16.840 4.185 -14.951 778 HB3 ASP 102 HB1 ASP 102 -16.860 3.472 -16.560 779 H LEU 103 HN LEU 103 -15.237 6.526 -15.219 780 HA LEU 103 HA LEU 103 -15.971 7.472 -17.841 781 HB2 LEU 103 HB2 LEU 103 -15.518 9.013 -15.287 782 HB3 LEU 103 HB1 LEU 103 -16.222 9.659 -16.754 783 HG LEU 103 HG LEU 103 -17.435 7.510 -15.012 784 HD11 LEU 103 HD11 LEU 103 -18.264 10.372 -15.477 785 HD12 LEU 103 HD12 LEU 103 -17.476 9.759 -14.024 786 HD13 LEU 103 HD13 LEU 103 -19.090 9.194 -14.455 787 HD21 LEU 103 HD21 LEU 103 -18.486 8.853 -17.500 788 HD22 LEU 103 HD22 LEU 103 -19.405 7.769 -16.457 789 HD23 LEU 103 HD23 LEU 103 -18.009 7.162 -17.347 790 H ARG 104 HN ARG 104 -14.291 7.464 -19.235 791 HA ARG 104 HA ARG 104 -11.734 8.589 -18.459 792 HB2 ARG 104 HB2 ARG 104 -11.000 8.041 -20.707 793 HB3 ARG 104 HB1 ARG 104 -11.823 6.660 -20.000 794 HG2 ARG 104 HG2 ARG 104 -13.845 7.243 -21.278 795 HG3 ARG 104 HG1 ARG 104 -12.962 8.578 -22.020 796 HD2 ARG 104 HD2 ARG 104 -12.979 6.652 -23.501 797 HD3 ARG 104 HD1 ARG 104 -11.341 6.986 -22.940 798 HE ARG 104 HE ARG 104 -12.898 4.983 -21.493 799 HH11 ARG 104 HH11 ARG 104 -10.318 5.701 -23.747 800 HH12 ARG 104 HH12 ARG 104 -9.618 4.120 -23.647 801 HH21 ARG 104 HH21 ARG 104 -11.969 2.907 -21.348 802 HH22 ARG 104 HH22 ARG 104 -10.555 2.531 -22.277 803 H GLN 105 HN GLN 105 -14.689 9.656 -19.621 804 HA GLN 105 HA GLN 105 -13.538 12.194 -20.570 805 HB2 GLN 105 HB2 GLN 105 -16.331 11.099 -20.989 806 HB3 GLN 105 HB1 GLN 105 -15.684 12.580 -21.679 807 HG2 GLN 105 HG2 GLN 105 -14.169 11.374 -23.057 808 HG3 GLN 105 HG1 GLN 105 -14.532 9.861 -22.231 809 HE21 GLN 105 HE21 GLN 105 -16.982 12.194 -23.119 810 HE22 GLN 105 HE22 GLN 105 -17.726 11.222 -24.341 811 H LEU 106 HN LEU 106 -13.188 12.590 -18.221 812 HA LEU 106 HA LEU 106 -15.387 12.809 -16.443 813 HB2 LEU 106 HB2 LEU 106 -13.079 12.457 -15.678 814 HB3 LEU 106 HB1 LEU 106 -12.644 14.049 -16.266 815 HG LEU 106 HG LEU 106 -14.223 15.051 -14.634 816 HD11 LEU 106 HD11 LEU 106 -14.488 12.209 -13.666 817 HD12 LEU 106 HD12 LEU 106 -15.762 13.201 -14.375 818 HD13 LEU 106 HD13 LEU 106 -15.073 13.635 -12.811 819 HD21 LEU 106 HD21 LEU 106 -11.845 14.833 -14.111 820 HD22 LEU 106 HD22 LEU 106 -12.138 13.230 -13.436 821 HD23 LEU 106 HD23 LEU 106 -12.840 14.653 -12.666 Start of MODEL 9 1 H GLY -4 HT1 GLY -4 -2.884 -21.538 -13.631 2 HA2 GLY -4 HA1 GLY -4 -3.956 -19.168 -12.212 3 HA3 GLY -4 HA2 GLY -4 -4.195 -20.842 -11.731 4 H ILE -3 HN ILE -3 -3.089 -19.048 -9.980 5 HA ILE -3 HA ILE -3 -0.331 -20.038 -9.784 6 HB ILE -3 HB ILE -3 0.332 -17.816 -8.813 7 HG12 ILE -3 HG12 ILE -3 -2.301 -16.954 -10.031 8 HG13 ILE -3 HG11 ILE -3 -1.895 -16.945 -8.319 9 HG21 ILE -3 HG21 ILE -3 0.995 -18.454 -11.054 10 HG22 ILE -3 HG22 ILE -3 0.634 -16.729 -10.991 11 HG23 ILE -3 HG23 ILE -3 -0.530 -17.847 -11.701 12 HD11 ILE -3 HD11 ILE -3 -1.792 -14.719 -9.329 13 HD12 ILE -3 HD12 ILE -3 -0.536 -15.286 -10.429 14 HD13 ILE -3 HD13 ILE -3 -0.231 -15.235 -8.693 15 H ASP -2 HN ASP -2 0.467 -20.219 -7.675 16 HA ASP -2 HA ASP -2 -1.505 -20.937 -5.738 17 HB2 ASP -2 HB2 ASP -2 1.511 -20.861 -5.687 18 HB3 ASP -2 HB1 ASP -2 0.546 -21.374 -4.311 19 HA PRO -1 HA PRO -1 -2.128 -17.036 -3.751 20 HB2 PRO -1 HB2 PRO -1 -2.405 -18.797 -1.362 21 HB3 PRO -1 HB1 PRO -1 -3.481 -17.527 -1.956 22 HG2 PRO -1 HG2 PRO -1 -4.086 -20.091 -2.320 23 HG3 PRO -1 HG1 PRO -1 -4.406 -18.892 -3.587 24 HD2 PRO -1 HD2 PRO -1 -2.257 -20.949 -3.422 25 HD3 PRO -1 HD1 PRO -1 -3.124 -20.329 -4.840 26 H PHE 0 HN PHE 0 0.028 -19.469 -2.343 27 HA PHE 0 HA PHE 0 1.275 -17.846 -0.433 28 HB2 PHE 0 HB2 PHE 0 1.526 -20.276 -0.461 29 HB3 PHE 0 HB1 PHE 0 2.413 -20.184 -1.977 30 HD1 PHE 0 HD1 PHE 0 2.557 -18.832 1.498 31 HD2 PHE 0 HD2 PHE 0 4.704 -20.231 -1.898 32 HE1 PHE 0 HE1 PHE 0 4.663 -18.626 2.748 33 HE2 PHE 0 HE2 PHE 0 6.814 -20.027 -0.650 34 HZ PHE 0 HZ PHE 0 6.795 -19.224 1.676 35 H THR 1 HN THR 1 2.097 -18.411 -3.846 36 HA THR 1 HA THR 1 4.323 -16.575 -3.656 37 HB THR 1 HB THR 1 4.396 -18.598 -5.153 38 HG1 THR 1 HG1 THR 1 5.793 -16.780 -5.469 39 HG21 THR 1 HG21 THR 1 2.137 -18.480 -6.075 40 HG22 THR 1 HG22 THR 1 3.344 -18.441 -7.361 41 HG23 THR 1 HG23 THR 1 2.532 -16.955 -6.868 42 H LEU 2 HN LEU 2 0.977 -16.512 -4.550 43 HA LEU 2 HA LEU 2 0.987 -14.104 -6.039 44 HB2 LEU 2 HB2 LEU 2 -0.887 -15.618 -6.155 45 HB3 LEU 2 HB1 LEU 2 -1.181 -15.449 -4.437 46 HG LEU 2 HG LEU 2 -1.859 -13.124 -4.754 47 HD11 LEU 2 HD11 LEU 2 -2.163 -12.223 -7.018 48 HD12 LEU 2 HD12 LEU 2 -1.356 -13.645 -7.677 49 HD13 LEU 2 HD13 LEU 2 -0.467 -12.530 -6.642 50 HD21 LEU 2 HD21 LEU 2 -3.554 -14.852 -4.879 51 HD22 LEU 2 HD22 LEU 2 -3.246 -15.058 -6.603 52 HD23 LEU 2 HD23 LEU 2 -3.926 -13.547 -6.003 53 H ASN 3 HN ASN 3 0.553 -14.793 -2.584 54 HA ASN 3 HA ASN 3 0.020 -12.170 -1.731 55 HB2 ASN 3 HB2 ASN 3 1.499 -14.374 -0.268 56 HB3 ASN 3 HB1 ASN 3 0.905 -12.898 0.479 57 HD21 ASN 3 HD21 ASN 3 -1.576 -12.875 -1.071 58 HD22 ASN 3 HD22 ASN 3 -2.558 -14.134 -0.411 59 H HIS 4 HN HIS 4 3.037 -13.856 -2.359 60 HA HIS 4 HA HIS 4 4.696 -11.696 -1.466 61 HB2 HIS 4 HB2 HIS 4 5.230 -14.261 -2.949 62 HB3 HIS 4 HB1 HIS 4 6.493 -13.061 -2.711 63 HD1 HIS 4 HD1 HIS 4 4.602 -15.733 -0.956 64 HD2 HIS 4 HD2 HIS 4 7.314 -12.720 -0.013 65 HE1 HIS 4 HE1 HIS 4 5.440 -16.268 1.355 66 HE2 HIS 4 HE2 HIS 4 6.982 -14.367 1.952 67 H GLN 5 HN GLN 5 3.245 -12.681 -4.468 68 HA GLN 5 HA GLN 5 4.766 -11.098 -6.236 69 HB2 GLN 5 HB2 GLN 5 3.401 -12.864 -7.107 70 HB3 GLN 5 HB1 GLN 5 1.952 -12.179 -6.389 71 HG2 GLN 5 HG2 GLN 5 2.189 -10.228 -7.897 72 HG3 GLN 5 HG1 GLN 5 3.549 -11.041 -8.670 73 HE21 GLN 5 HE21 GLN 5 2.364 -13.678 -8.446 74 HE22 GLN 5 HE22 GLN 5 1.103 -13.745 -9.624 75 H VAL 6 HN VAL 6 1.559 -10.492 -4.783 76 HA VAL 6 HA VAL 6 1.335 -7.871 -5.795 77 HB VAL 6 HB VAL 6 -0.628 -9.110 -5.031 78 HG11 VAL 6 HG11 VAL 6 0.468 -8.739 -2.250 79 HG12 VAL 6 HG12 VAL 6 0.339 -10.266 -3.122 80 HG13 VAL 6 HG13 VAL 6 -1.118 -9.392 -2.656 81 HG21 VAL 6 HG21 VAL 6 -0.183 -6.568 -3.471 82 HG22 VAL 6 HG22 VAL 6 -1.748 -7.308 -3.804 83 HG23 VAL 6 HG23 VAL 6 -0.768 -6.685 -5.131 84 H MET 7 HN MET 7 2.703 -9.149 -2.818 85 HA MET 7 HA MET 7 3.090 -6.688 -1.496 86 HB2 MET 7 HB2 MET 7 3.269 -9.049 -0.533 87 HB3 MET 7 HB1 MET 7 4.880 -9.102 -1.234 88 HG2 MET 7 HG2 MET 7 5.065 -8.508 1.070 89 HG3 MET 7 HG1 MET 7 5.470 -7.096 0.093 90 HE1 MET 7 HE1 MET 7 3.753 -5.547 3.266 91 HE2 MET 7 HE2 MET 7 5.205 -5.582 2.268 92 HE3 MET 7 HE3 MET 7 4.760 -6.994 3.225 93 H ASP 8 HN ASP 8 5.043 -8.527 -3.776 94 HA ASP 8 HA ASP 8 7.355 -6.893 -3.648 95 HB2 ASP 8 HB2 ASP 8 7.216 -9.246 -4.570 96 HB3 ASP 8 HB1 ASP 8 6.451 -8.562 -5.999 97 H GLN 9 HN GLN 9 4.508 -6.931 -5.739 98 HA GLN 9 HA GLN 9 5.231 -4.865 -7.483 99 HB2 GLN 9 HB2 GLN 9 3.316 -6.226 -7.981 100 HB3 GLN 9 HB1 GLN 9 2.525 -5.764 -6.480 101 HG2 GLN 9 HG2 GLN 9 2.322 -3.465 -7.301 102 HG3 GLN 9 HG1 GLN 9 3.098 -3.942 -8.810 103 HE21 GLN 9 HE21 GLN 9 1.271 -3.290 -9.977 104 HE22 GLN 9 HE22 GLN 9 -0.170 -4.245 -10.008 105 H VAL 10 HN VAL 10 3.562 -4.772 -4.362 106 HA VAL 10 HA VAL 10 3.167 -1.972 -4.322 107 HB VAL 10 HB VAL 10 3.294 -3.950 -2.039 108 HG11 VAL 10 HG11 VAL 10 3.748 -1.694 -1.228 109 HG12 VAL 10 HG12 VAL 10 2.155 -2.242 -0.703 110 HG13 VAL 10 HG13 VAL 10 2.299 -1.101 -2.038 111 HG21 VAL 10 HG21 VAL 10 0.838 -3.761 -2.095 112 HG22 VAL 10 HG22 VAL 10 1.495 -4.409 -3.597 113 HG23 VAL 10 HG23 VAL 10 0.965 -2.729 -3.518 114 H PHE 11 HN PHE 11 5.724 -4.051 -2.992 115 HA PHE 11 HA PHE 11 7.151 -2.033 -1.658 116 HB2 PHE 11 HB2 PHE 11 7.547 -4.443 -1.296 117 HB3 PHE 11 HB1 PHE 11 8.236 -4.568 -2.910 118 HD1 PHE 11 HD1 PHE 11 8.693 -2.861 0.356 119 HD2 PHE 11 HD2 PHE 11 10.504 -4.198 -3.256 120 HE1 PHE 11 HE1 PHE 11 10.911 -2.301 1.263 121 HE2 PHE 11 HE2 PHE 11 12.722 -3.639 -2.354 122 HZ PHE 11 HZ PHE 11 12.920 -2.652 -0.095 123 H ASP 12 HN ASP 12 7.419 -3.259 -4.977 124 HA ASP 12 HA ASP 12 9.588 -1.619 -5.739 125 HB2 ASP 12 HB2 ASP 12 8.921 -3.556 -7.070 126 HB3 ASP 12 HB1 ASP 12 7.376 -2.796 -7.438 127 H GLN 13 HN GLN 13 6.113 -1.121 -5.701 128 HA GLN 13 HA GLN 13 6.097 1.320 -7.127 129 HB2 GLN 13 HB2 GLN 13 4.076 -0.063 -6.758 130 HB3 GLN 13 HB1 GLN 13 4.127 0.347 -5.050 131 HG2 GLN 13 HG2 GLN 13 2.489 1.694 -6.229 132 HG3 GLN 13 HG1 GLN 13 3.787 2.694 -5.583 133 HE21 GLN 13 HE21 GLN 13 4.052 0.708 -8.461 134 HE22 GLN 13 HE22 GLN 13 4.191 2.021 -9.578 135 H VAL 14 HN VAL 14 5.974 0.644 -3.613 136 HA VAL 14 HA VAL 14 6.014 3.354 -2.846 137 HB VAL 14 HB VAL 14 6.647 2.597 -0.604 138 HG11 VAL 14 HG11 VAL 14 4.319 2.465 -1.255 139 HG12 VAL 14 HG12 VAL 14 4.732 1.126 -0.183 140 HG13 VAL 14 HG13 VAL 14 4.576 0.852 -1.919 141 HG21 VAL 14 HG21 VAL 14 6.954 0.195 -0.145 142 HG22 VAL 14 HG22 VAL 14 8.249 0.875 -1.130 143 HG23 VAL 14 HG23 VAL 14 6.991 -0.104 -1.881 144 H GLU 15 HN GLU 15 8.603 1.074 -3.530 145 HA GLU 15 HA GLU 15 10.777 2.595 -2.630 146 HB2 GLU 15 HB2 GLU 15 10.971 0.247 -3.310 147 HB3 GLU 15 HB1 GLU 15 10.605 0.684 -4.972 148 HG2 GLU 15 HG2 GLU 15 12.666 2.019 -5.054 149 HG3 GLU 15 HG1 GLU 15 13.039 1.513 -3.406 150 H HIS 16 HN HIS 16 9.112 2.543 -5.757 151 HA HIS 16 HA HIS 16 10.809 4.527 -6.921 152 HB2 HIS 16 HB2 HIS 16 9.576 2.810 -8.242 153 HB3 HIS 16 HB1 HIS 16 8.071 3.623 -7.832 154 HD1 HIS 16 HD1 HIS 16 7.435 4.395 -10.154 155 HD2 HIS 16 HD2 HIS 16 11.282 5.536 -9.067 156 HE1 HIS 16 HE1 HIS 16 8.200 5.987 -11.941 157 HE2 HIS 16 HE2 HIS 16 10.598 6.500 -11.364 158 H GLN 17 HN GLN 17 7.631 4.555 -5.363 159 HA GLN 17 HA GLN 17 6.979 7.232 -5.922 160 HB2 GLN 17 HB2 GLN 17 6.177 5.426 -3.644 161 HB3 GLN 17 HB1 GLN 17 5.534 7.047 -3.846 162 HG2 GLN 17 HG2 GLN 17 5.255 4.767 -5.792 163 HG3 GLN 17 HG1 GLN 17 3.997 5.399 -4.728 164 HE21 GLN 17 HE21 GLN 17 5.795 5.884 -7.637 165 HE22 GLN 17 HE22 GLN 17 4.874 7.215 -8.236 166 H ILE 18 HN ILE 18 8.657 5.787 -3.140 167 HA ILE 18 HA ILE 18 9.118 8.149 -1.712 168 HB ILE 18 HB ILE 18 10.684 5.573 -1.853 169 HG12 ILE 18 HG12 ILE 18 8.916 6.765 0.295 170 HG13 ILE 18 HG11 ILE 18 8.421 5.521 -0.848 171 HG21 ILE 18 HG21 ILE 18 11.167 7.912 -0.013 172 HG22 ILE 18 HG22 ILE 18 12.261 7.314 -1.258 173 HG23 ILE 18 HG23 ILE 18 11.901 6.317 0.151 174 HD11 ILE 18 HD11 ILE 18 10.568 5.252 1.241 175 HD12 ILE 18 HD12 ILE 18 10.086 4.006 0.091 176 HD13 ILE 18 HD13 ILE 18 8.946 4.567 1.312 177 H ALA 19 HN ALA 19 10.998 6.603 -4.281 178 HA ALA 19 HA ALA 19 13.171 8.365 -4.308 179 HB1 ALA 19 HB1 ALA 19 13.132 6.225 -5.510 180 HB2 ALA 19 HB2 ALA 19 13.595 7.562 -6.559 181 HB3 ALA 19 HB3 ALA 19 11.966 6.896 -6.649 182 H GLN 20 HN GLN 20 10.003 8.571 -5.839 183 HA GLN 20 HA GLN 20 10.570 10.877 -7.397 184 HB2 GLN 20 HB2 GLN 20 7.938 9.758 -6.424 185 HB3 GLN 20 HB1 GLN 20 8.094 11.062 -7.591 186 HG2 GLN 20 HG2 GLN 20 9.059 8.232 -7.936 187 HG3 GLN 20 HG1 GLN 20 7.657 8.967 -8.712 188 HE21 GLN 20 HE21 GLN 20 7.966 10.445 -10.375 189 HE22 GLN 20 HE22 GLN 20 9.485 10.611 -11.188 190 H VAL 21 HN VAL 21 9.066 10.390 -4.224 191 HA VAL 21 HA VAL 21 8.457 13.093 -3.721 192 HB VAL 21 HB VAL 21 9.082 10.905 -1.725 193 HG11 VAL 21 HG11 VAL 21 7.684 13.551 -1.328 194 HG12 VAL 21 HG12 VAL 21 9.281 13.118 -0.716 195 HG13 VAL 21 HG13 VAL 21 7.850 12.282 -0.116 196 HG21 VAL 21 HG21 VAL 21 6.640 10.691 -1.546 197 HG22 VAL 21 HG22 VAL 21 7.215 10.331 -3.175 198 HG23 VAL 21 HG23 VAL 21 6.450 11.883 -2.833 199 H LEU 22 HN LEU 22 11.280 11.131 -2.781 200 HA LEU 22 HA LEU 22 12.683 13.202 -1.492 201 HB2 LEU 22 HB2 LEU 22 13.390 10.544 -2.606 202 HB3 LEU 22 HB1 LEU 22 14.708 11.661 -2.316 203 HG LEU 22 HG LEU 22 14.100 11.811 0.045 204 HD11 LEU 22 HD11 LEU 22 11.934 9.830 -0.637 205 HD12 LEU 22 HD12 LEU 22 11.698 11.504 -0.134 206 HD13 LEU 22 HD13 LEU 22 12.392 10.335 0.990 207 HD21 LEU 22 HD21 LEU 22 15.673 10.094 -0.640 208 HD22 LEU 22 HD22 LEU 22 14.344 8.976 -0.949 209 HD23 LEU 22 HD23 LEU 22 14.675 9.521 0.696 210 H GLY 23 HN GLY 23 12.626 12.160 -4.862 211 HA2 GLY 23 HA2 GLY 23 14.731 13.796 -5.786 212 HA3 GLY 23 HA1 GLY 23 13.428 13.149 -6.771 213 H ALA 24 HN ALA 24 11.235 14.366 -5.602 214 HA ALA 24 HA ALA 24 11.367 16.979 -6.732 215 HB1 ALA 24 HB1 ALA 24 9.213 15.735 -5.028 216 HB2 ALA 24 HB2 ALA 24 9.322 15.645 -6.787 217 HB3 ALA 24 HB3 ALA 24 9.052 17.199 -5.997 218 H LYS 25 HN LYS 25 11.427 15.699 -3.469 219 HA LYS 25 HA LYS 25 11.197 18.156 -2.092 220 HB2 LYS 25 HB2 LYS 25 10.784 15.955 -1.063 221 HB3 LYS 25 HB1 LYS 25 12.485 15.556 -1.238 222 HG2 LYS 25 HG2 LYS 25 12.984 17.531 0.225 223 HG3 LYS 25 HG1 LYS 25 11.252 17.627 0.548 224 HD2 LYS 25 HD2 LYS 25 11.319 15.274 1.334 225 HD3 LYS 25 HD1 LYS 25 13.070 15.287 1.117 226 HE2 LYS 25 HE2 LYS 25 12.623 15.700 3.419 227 HE3 LYS 25 HE1 LYS 25 13.171 17.213 2.700 228 HZ1 LYS 25 HZ1 LYS 25 10.914 17.978 2.591 229 HZ2 LYS 25 HZ2 LYS 25 11.239 17.485 4.175 230 HZ3 LYS 25 HZ3 LYS 25 10.323 16.492 3.151 231 H GLY 26 HN GLY 26 13.830 16.512 -3.633 232 HA2 GLY 26 HA2 GLY 26 15.885 17.452 -4.226 233 HA3 GLY 26 HA1 GLY 26 15.575 18.778 -3.114 234 H GLY 27 HN GLY 27 15.079 15.583 -1.963 235 HA2 GLY 27 HA2 GLY 27 17.265 15.996 -0.068 236 HA3 GLY 27 HA1 GLY 27 15.957 14.833 0.093 237 HA PRO 28 HA PRO 28 19.879 12.829 -1.678 238 HB2 PRO 28 HB2 PRO 28 20.363 11.675 0.957 239 HB3 PRO 28 HB1 PRO 28 21.452 12.624 -0.055 240 HG2 PRO 28 HG2 PRO 28 20.413 13.563 2.263 241 HG3 PRO 28 HG1 PRO 28 20.810 14.614 0.893 242 HD2 PRO 28 HD2 PRO 28 18.147 13.542 1.751 243 HD3 PRO 28 HD1 PRO 28 18.574 15.165 1.168 244 H LEU 29 HN LEU 29 19.630 10.850 -2.537 245 HA LEU 29 HA LEU 29 17.359 9.276 -1.998 246 HB2 LEU 29 HB2 LEU 29 18.471 7.587 -3.475 247 HB3 LEU 29 HB1 LEU 29 18.281 9.179 -4.176 248 HG LEU 29 HG LEU 29 20.753 9.527 -3.386 249 HD11 LEU 29 HD11 LEU 29 20.938 7.451 -2.118 250 HD12 LEU 29 HD12 LEU 29 22.083 7.486 -3.458 251 HD13 LEU 29 HD13 LEU 29 20.611 6.522 -3.582 252 HD21 LEU 29 HD21 LEU 29 20.011 9.541 -5.700 253 HD22 LEU 29 HD22 LEU 29 20.025 7.778 -5.729 254 HD23 LEU 29 HD23 LEU 29 21.534 8.669 -5.537 255 H VAL 30 HN VAL 30 17.157 7.236 -1.019 256 HA VAL 30 HA VAL 30 19.306 6.565 0.865 257 HB VAL 30 HB VAL 30 17.581 6.093 2.593 258 HG11 VAL 30 HG11 VAL 30 17.628 8.940 1.594 259 HG12 VAL 30 HG12 VAL 30 18.830 8.190 2.645 260 HG13 VAL 30 HG13 VAL 30 17.179 8.423 3.220 261 HG21 VAL 30 HG21 VAL 30 15.739 7.470 0.640 262 HG22 VAL 30 HG22 VAL 30 15.338 7.076 2.311 263 HG23 VAL 30 HG23 VAL 30 15.655 5.785 1.152 264 H ALA 31 HN ALA 31 19.075 4.395 1.816 265 HA ALA 31 HA ALA 31 18.186 2.471 -0.165 266 HB1 ALA 31 HB1 ALA 31 20.374 2.176 0.903 267 HB2 ALA 31 HB2 ALA 31 19.304 0.816 1.246 268 HB3 ALA 31 HB3 ALA 31 19.586 2.047 2.477 269 H VAL 32 HN VAL 32 16.049 2.134 -0.140 270 HA VAL 32 HA VAL 32 14.601 2.199 2.380 271 HB VAL 32 HB VAL 32 13.567 3.459 0.635 272 HG11 VAL 32 HG11 VAL 32 14.574 2.381 -1.297 273 HG12 VAL 32 HG12 VAL 32 12.822 2.472 -1.476 274 HG13 VAL 32 HG13 VAL 32 13.585 0.946 -1.029 275 HG21 VAL 32 HG21 VAL 32 11.360 2.388 0.475 276 HG22 VAL 32 HG22 VAL 32 12.028 2.302 2.105 277 HG23 VAL 32 HG23 VAL 32 12.063 0.881 1.061 278 H GLU 33 HN GLU 33 14.151 0.473 3.486 279 HA GLU 33 HA GLU 33 14.124 -2.151 2.155 280 HB2 GLU 33 HB2 GLU 33 14.516 -1.538 5.091 281 HB3 GLU 33 HB1 GLU 33 14.637 -3.116 4.332 282 HG2 GLU 33 HG2 GLU 33 16.625 -2.525 3.204 283 HG3 GLU 33 HG1 GLU 33 16.428 -0.819 3.609 284 H ILE 34 HN ILE 34 12.593 -3.743 3.327 285 HA ILE 34 HA ILE 34 9.988 -2.607 3.247 286 HB ILE 34 HB ILE 34 10.354 -4.897 2.516 287 HG12 ILE 34 HG12 ILE 34 8.499 -6.007 3.755 288 HG13 ILE 34 HG11 ILE 34 8.548 -4.698 4.931 289 HG21 ILE 34 HG21 ILE 34 10.788 -6.707 4.102 290 HG22 ILE 34 HG22 ILE 34 10.983 -5.520 5.393 291 HG23 ILE 34 HG23 ILE 34 12.116 -5.548 4.043 292 HD11 ILE 34 HD11 ILE 34 6.757 -4.378 3.329 293 HD12 ILE 34 HD12 ILE 34 7.919 -4.417 2.003 294 HD13 ILE 34 HD13 ILE 34 7.966 -3.103 3.179 295 H ASP 35 HN ASP 35 12.120 -3.625 5.875 296 HA ASP 35 HA ASP 35 10.108 -2.923 7.870 297 HB2 ASP 35 HB2 ASP 35 12.912 -4.020 8.170 298 HB3 ASP 35 HB1 ASP 35 11.828 -3.685 9.512 299 H SER 36 HN SER 36 11.708 -1.009 6.045 300 HA SER 36 HA SER 36 13.371 0.452 7.882 301 HB2 SER 36 HB2 SER 36 13.866 0.274 5.440 302 HB3 SER 36 HB1 SER 36 12.443 1.263 5.119 303 HG SER 36 HG SER 36 14.928 1.982 6.064 304 H ARG 37 HN ARG 37 12.984 2.433 8.774 305 HA ARG 37 HA ARG 37 10.189 3.167 9.103 306 HB2 ARG 37 HB2 ARG 37 12.725 4.135 10.436 307 HB3 ARG 37 HB1 ARG 37 11.114 4.717 10.837 308 HG2 ARG 37 HG2 ARG 37 10.465 2.630 11.712 309 HG3 ARG 37 HG1 ARG 37 11.862 1.813 11.006 310 HD2 ARG 37 HD2 ARG 37 12.000 3.931 13.147 311 HD3 ARG 37 HD1 ARG 37 12.082 2.194 13.442 312 HE ARG 37 HE ARG 37 14.114 2.244 11.969 313 HH11 ARG 37 HH11 ARG 37 13.111 5.091 13.752 314 HH12 ARG 37 HH12 ARG 37 14.717 5.740 13.854 315 HH21 ARG 37 HH21 ARG 37 16.212 3.120 12.071 316 HH22 ARG 37 HH22 ARG 37 16.476 4.634 12.878 317 H PHE 38 HN PHE 38 9.286 4.970 8.344 318 HA PHE 38 HA PHE 38 10.276 6.061 5.977 319 HB2 PHE 38 HB2 PHE 38 8.041 6.901 7.805 320 HB3 PHE 38 HB1 PHE 38 8.407 7.779 6.325 321 HD1 PHE 38 HD1 PHE 38 6.453 5.237 7.706 322 HD2 PHE 38 HD2 PHE 38 8.631 6.237 4.188 323 HE1 PHE 38 HE1 PHE 38 5.088 3.652 6.413 324 HE2 PHE 38 HE2 PHE 38 7.266 4.654 2.889 325 HZ PHE 38 HZ PHE 38 5.493 3.361 4.002 326 H SER 39 HN SER 39 10.374 7.358 9.264 327 HA SER 39 HA SER 39 11.270 9.934 8.481 328 HB2 SER 39 HB2 SER 39 11.488 8.525 11.149 329 HB3 SER 39 HB1 SER 39 11.777 10.246 10.879 330 HG SER 39 HG SER 39 9.441 9.683 9.800 331 H ASP 40 HN ASP 40 12.892 6.912 9.013 332 HA ASP 40 HA ASP 40 15.518 8.085 9.235 333 HB2 ASP 40 HB2 ASP 40 15.091 5.911 10.272 334 HB3 ASP 40 HB1 ASP 40 14.668 5.226 8.705 335 H LEU 41 HN LEU 41 13.391 7.041 6.735 336 HA LEU 41 HA LEU 41 15.368 6.994 4.647 337 HB2 LEU 41 HB2 LEU 41 12.353 7.113 4.530 338 HB3 LEU 41 HB1 LEU 41 13.400 6.847 3.149 339 HG LEU 41 HG LEU 41 13.215 4.995 5.526 340 HD11 LEU 41 HD11 LEU 41 11.943 3.526 4.064 341 HD12 LEU 41 HD12 LEU 41 11.992 4.736 2.783 342 HD13 LEU 41 HD13 LEU 41 11.111 5.066 4.277 343 HD21 LEU 41 HD21 LEU 41 14.495 4.635 2.818 344 HD22 LEU 41 HD22 LEU 41 14.444 3.444 4.118 345 HD23 LEU 41 HD23 LEU 41 15.358 4.937 4.326 346 H GLY 42 HN GLY 42 13.674 9.405 6.316 347 HA2 GLY 42 HA2 GLY 42 14.429 11.694 5.958 348 HA3 GLY 42 HA1 GLY 42 14.399 11.364 4.233 349 H LEU 43 HN LEU 43 11.778 9.823 5.242 350 HA LEU 43 HA LEU 43 10.021 11.950 4.392 351 HB2 LEU 43 HB2 LEU 43 9.486 9.090 5.204 352 HB3 LEU 43 HB1 LEU 43 8.225 10.206 4.731 353 HG LEU 43 HG LEU 43 8.672 8.805 2.868 354 HD11 LEU 43 HD11 LEU 43 10.015 11.457 2.415 355 HD12 LEU 43 HD12 LEU 43 8.288 11.119 2.292 356 HD13 LEU 43 HD13 LEU 43 9.415 10.378 1.157 357 HD21 LEU 43 HD21 LEU 43 10.901 8.606 1.850 358 HD22 LEU 43 HD22 LEU 43 10.829 7.936 3.479 359 HD23 LEU 43 HD23 LEU 43 11.578 9.509 3.205 360 H SER 44 HN SER 44 9.717 13.488 5.910 361 HA SER 44 HA SER 44 9.303 12.830 8.678 362 HB2 SER 44 HB2 SER 44 8.854 15.423 7.177 363 HB3 SER 44 HB1 SER 44 8.840 15.240 8.931 364 HG SER 44 HG SER 44 11.086 14.211 8.311 365 H SER 45 HN SER 45 7.162 14.192 9.560 366 HA SER 45 HA SER 45 5.054 12.453 9.004 367 HB2 SER 45 HB2 SER 45 5.342 13.880 11.069 368 HB3 SER 45 HB1 SER 45 4.747 15.244 10.126 369 HG SER 45 HG SER 45 3.391 12.945 11.005 370 H LEU 46 HN LEU 46 5.726 15.692 7.743 371 HA LEU 46 HA LEU 46 3.347 15.916 6.205 372 HB2 LEU 46 HB2 LEU 46 4.689 17.860 6.872 373 HB3 LEU 46 HB1 LEU 46 6.014 17.295 5.874 374 HG LEU 46 HG LEU 46 4.578 17.582 3.867 375 HD11 LEU 46 HD11 LEU 46 2.664 18.839 5.829 376 HD12 LEU 46 HD12 LEU 46 2.397 17.357 4.910 377 HD13 LEU 46 HD13 LEU 46 2.523 18.903 4.072 378 HD21 LEU 46 HD21 LEU 46 6.149 19.316 4.524 379 HD22 LEU 46 HD22 LEU 46 4.937 20.034 5.582 380 HD23 LEU 46 HD23 LEU 46 4.689 20.026 3.837 381 H ASP 47 HN ASP 47 6.643 14.869 5.440 382 HA ASP 47 HA ASP 47 6.264 14.503 2.673 383 HB2 ASP 47 HB2 ASP 47 8.166 13.045 4.521 384 HB3 ASP 47 HB1 ASP 47 8.271 13.084 2.765 385 H LEU 48 HN LEU 48 5.971 12.290 5.418 386 HA LEU 48 HA LEU 48 5.313 9.979 3.984 387 HB2 LEU 48 HB2 LEU 48 5.926 9.929 6.332 388 HB3 LEU 48 HB1 LEU 48 4.498 10.851 6.755 389 HG LEU 48 HG LEU 48 3.064 8.983 6.131 390 HD11 LEU 48 HD11 LEU 48 4.383 8.053 4.318 391 HD12 LEU 48 HD12 LEU 48 4.036 6.814 5.524 392 HD13 LEU 48 HD13 LEU 48 5.633 7.558 5.459 393 HD21 LEU 48 HD21 LEU 48 3.940 9.103 8.414 394 HD22 LEU 48 HD22 LEU 48 5.330 8.131 7.930 395 HD23 LEU 48 HD23 LEU 48 3.712 7.433 7.893 396 H ALA 49 HN ALA 49 3.240 12.522 5.339 397 HA ALA 49 HA ALA 49 0.759 11.483 4.596 398 HB1 ALA 49 HB1 ALA 49 1.044 13.431 6.065 399 HB2 ALA 49 HB2 ALA 49 -0.070 13.765 4.741 400 HB3 ALA 49 HB3 ALA 49 1.579 14.384 4.682 401 H THR 50 HN THR 50 3.018 13.514 2.802 402 HA THR 50 HA THR 50 1.459 13.823 0.481 403 HB THR 50 HB THR 50 4.482 13.792 0.632 404 HG1 THR 50 HG1 THR 50 3.646 15.235 2.193 405 HG21 THR 50 HG21 THR 50 3.560 13.836 -1.642 406 HG22 THR 50 HG22 THR 50 4.341 15.365 -1.240 407 HG23 THR 50 HG23 THR 50 2.582 15.241 -1.219 408 H LEU 51 HN LEU 51 3.888 11.436 1.426 409 HA LEU 51 HA LEU 51 4.000 9.986 -0.970 410 HB2 LEU 51 HB2 LEU 51 5.637 9.735 0.823 411 HB3 LEU 51 HB1 LEU 51 4.409 9.060 1.875 412 HG LEU 51 HG LEU 51 4.197 7.126 0.336 413 HD11 LEU 51 HD11 LEU 51 6.580 8.359 -1.038 414 HD12 LEU 51 HD12 LEU 51 4.957 8.215 -1.714 415 HD13 LEU 51 HD13 LEU 51 5.901 6.766 -1.368 416 HD21 LEU 51 HD21 LEU 51 5.615 6.986 2.301 417 HD22 LEU 51 HD22 LEU 51 6.967 7.665 1.395 418 HD23 LEU 51 HD23 LEU 51 6.322 6.082 0.962 419 H ILE 52 HN ILE 52 2.026 9.454 1.948 420 HA ILE 52 HA ILE 52 0.681 7.165 1.075 421 HB ILE 52 HB ILE 52 -0.323 9.335 2.927 422 HG12 ILE 52 HG12 ILE 52 1.037 6.691 3.495 423 HG13 ILE 52 HG11 ILE 52 1.767 8.282 3.674 424 HG21 ILE 52 HG21 ILE 52 -2.172 8.004 2.084 425 HG22 ILE 52 HG22 ILE 52 -1.869 7.626 3.780 426 HG23 ILE 52 HG23 ILE 52 -1.326 6.519 2.519 427 HD11 ILE 52 HD11 ILE 52 -0.561 7.211 5.251 428 HD12 ILE 52 HD12 ILE 52 0.143 8.818 5.423 429 HD13 ILE 52 HD13 ILE 52 1.099 7.389 5.819 430 H SER 53 HN SER 53 -0.280 10.582 0.812 431 HA SER 53 HA SER 53 -2.751 10.192 -0.413 432 HB2 SER 53 HB2 SER 53 -0.853 12.512 -0.833 433 HB3 SER 53 HB1 SER 53 -2.597 12.525 -1.096 434 HG SER 53 HG SER 53 -1.253 12.993 1.160 435 H ASN 54 HN ASN 54 0.475 10.462 -1.847 436 HA ASN 54 HA ASN 54 -0.464 10.411 -4.547 437 HB2 ASN 54 HB2 ASN 54 2.222 10.191 -3.245 438 HB3 ASN 54 HB1 ASN 54 2.050 9.720 -4.932 439 HD21 ASN 54 HD21 ASN 54 1.934 12.351 -2.658 440 HD22 ASN 54 HD22 ASN 54 1.954 13.622 -3.835 441 H LEU 55 HN LEU 55 0.823 7.986 -2.319 442 HA LEU 55 HA LEU 55 0.931 5.853 -4.161 443 HB2 LEU 55 HB2 LEU 55 2.061 5.927 -1.937 444 HB3 LEU 55 HB1 LEU 55 0.497 5.707 -1.177 445 HG LEU 55 HG LEU 55 0.289 3.516 -2.347 446 HD11 LEU 55 HD11 LEU 55 3.151 4.071 -3.117 447 HD12 LEU 55 HD12 LEU 55 1.778 3.921 -4.215 448 HD13 LEU 55 HD13 LEU 55 2.328 2.522 -3.294 449 HD21 LEU 55 HD21 LEU 55 1.885 2.344 -0.900 450 HD22 LEU 55 HD22 LEU 55 1.041 3.631 -0.040 451 HD23 LEU 55 HD23 LEU 55 2.704 3.872 -0.576 452 H GLU 56 HN GLU 56 -1.581 6.955 -1.937 453 HA GLU 56 HA GLU 56 -3.487 4.970 -2.347 454 HB2 GLU 56 HB2 GLU 56 -3.691 6.719 -0.639 455 HB3 GLU 56 HB1 GLU 56 -3.905 7.933 -1.892 456 HG2 GLU 56 HG2 GLU 56 -5.970 6.724 -2.599 457 HG3 GLU 56 HG1 GLU 56 -5.778 5.692 -1.183 458 H ALA 57 HN ALA 57 -2.834 7.914 -4.194 459 HA ALA 57 HA ALA 57 -5.000 7.658 -5.993 460 HB1 ALA 57 HB1 ALA 57 -3.820 9.770 -5.602 461 HB2 ALA 57 HB2 ALA 57 -3.864 9.350 -7.314 462 HB3 ALA 57 HB3 ALA 57 -2.385 9.106 -6.383 463 H VAL 58 HN VAL 58 -1.733 6.398 -5.978 464 HA VAL 58 HA VAL 58 -1.503 5.593 -8.644 465 HB VAL 58 HB VAL 58 -0.360 4.324 -6.150 466 HG11 VAL 58 HG11 VAL 58 -0.402 2.685 -7.950 467 HG12 VAL 58 HG12 VAL 58 1.249 3.214 -7.627 468 HG13 VAL 58 HG13 VAL 58 0.382 3.835 -9.031 469 HG21 VAL 58 HG21 VAL 58 0.378 6.610 -6.525 470 HG22 VAL 58 HG22 VAL 58 0.846 6.202 -8.176 471 HG23 VAL 58 HG23 VAL 58 1.699 5.477 -6.814 472 H TYR 59 HN TYR 59 -2.761 3.811 -5.837 473 HA TYR 59 HA TYR 59 -3.530 1.585 -7.509 474 HB2 TYR 59 HB2 TYR 59 -4.018 2.108 -4.571 475 HB3 TYR 59 HB1 TYR 59 -4.409 0.609 -5.408 476 HD1 TYR 59 HD1 TYR 59 -2.475 -0.632 -6.553 477 HD2 TYR 59 HD2 TYR 59 -1.901 2.406 -3.634 478 HE1 TYR 59 HE1 TYR 59 -0.198 -1.464 -6.145 479 HE2 TYR 59 HE2 TYR 59 0.374 1.581 -3.215 480 HH TYR 59 HH TYR 59 1.670 -0.458 -3.484 481 H GLY 60 HN GLY 60 -5.113 4.255 -5.833 482 HA2 GLY 60 HA2 GLY 60 -7.209 5.155 -6.100 483 HA3 GLY 60 HA1 GLY 60 -7.308 4.273 -7.618 484 H THR 61 HN THR 61 -6.897 2.945 -4.380 485 HA THR 61 HA THR 61 -9.622 2.040 -4.233 486 HB THR 61 HB THR 61 -8.540 0.383 -5.775 487 HG1 THR 61 HG1 THR 61 -10.318 -0.221 -4.429 488 HG21 THR 61 HG21 THR 61 -6.927 -0.326 -3.325 489 HG22 THR 61 HG22 THR 61 -6.299 0.398 -4.803 490 HG23 THR 61 HG23 THR 61 -6.958 -1.235 -4.834 491 H ASP 62 HN ASP 62 -9.555 0.222 -2.363 492 HA ASP 62 HA ASP 62 -9.511 -0.068 -0.124 493 HB2 ASP 62 HB2 ASP 62 -7.102 -0.576 -0.613 494 HB3 ASP 62 HB1 ASP 62 -6.724 1.091 -0.183 495 HA PRO 63 HA PRO 63 -10.788 4.045 1.221 496 HB2 PRO 63 HB2 PRO 63 -12.112 2.495 3.336 497 HB3 PRO 63 HB1 PRO 63 -12.823 3.589 2.147 498 HG2 PRO 63 HG2 PRO 63 -13.184 0.919 2.040 499 HG3 PRO 63 HG1 PRO 63 -13.103 1.927 0.584 500 HD2 PRO 63 HD2 PRO 63 -11.004 0.168 1.792 501 HD3 PRO 63 HD1 PRO 63 -11.411 0.429 0.086 502 H PHE 64 HN PHE 64 -9.289 5.132 2.355 503 HA PHE 64 HA PHE 64 -7.525 3.653 4.086 504 HB2 PHE 64 HB2 PHE 64 -6.961 5.547 2.351 505 HB3 PHE 64 HB1 PHE 64 -7.307 6.609 3.714 506 HD1 PHE 64 HD1 PHE 64 -5.558 7.236 5.020 507 HD2 PHE 64 HD2 PHE 64 -5.369 3.490 3.009 508 HE1 PHE 64 HE1 PHE 64 -3.286 6.882 5.899 509 HE2 PHE 64 HE2 PHE 64 -3.097 3.129 3.883 510 HZ PHE 64 HZ PHE 64 -2.049 4.774 5.298 511 H ALA 65 HN ALA 65 -10.420 4.669 4.702 512 HA ALA 65 HA ALA 65 -10.205 6.320 6.987 513 HB1 ALA 65 HB1 ALA 65 -12.518 5.678 7.418 514 HB2 ALA 65 HB2 ALA 65 -12.391 4.389 6.222 515 HB3 ALA 65 HB3 ALA 65 -12.279 6.074 5.717 516 H ASP 66 HN ASP 66 -9.744 2.934 6.463 517 HA ASP 66 HA ASP 66 -10.092 2.230 9.250 518 HB2 ASP 66 HB2 ASP 66 -9.243 0.654 6.823 519 HB3 ASP 66 HB1 ASP 66 -9.244 -0.030 8.446 520 H ALA 67 HN ALA 67 -7.429 2.631 6.965 521 HA ALA 67 HA ALA 67 -5.527 2.182 9.150 522 HB1 ALA 67 HB1 ALA 67 -3.822 1.994 7.437 523 HB2 ALA 67 HB2 ALA 67 -4.989 2.446 6.194 524 HB3 ALA 67 HB3 ALA 67 -5.173 0.924 7.067 525 H VAL 68 HN VAL 68 -7.172 4.615 8.852 526 HA VAL 68 HA VAL 68 -5.555 6.725 7.851 527 HB VAL 68 HB VAL 68 -8.050 6.820 8.098 528 HG11 VAL 68 HG11 VAL 68 -8.975 7.515 10.270 529 HG12 VAL 68 HG12 VAL 68 -7.400 7.236 11.011 530 HG13 VAL 68 HG13 VAL 68 -8.296 5.888 10.312 531 HG21 VAL 68 HG21 VAL 68 -8.121 9.194 8.734 532 HG22 VAL 68 HG22 VAL 68 -6.783 8.832 7.645 533 HG23 VAL 68 HG23 VAL 68 -6.480 9.060 9.367 534 H ALA 69 HN ALA 69 -5.460 4.938 10.734 535 HA ALA 69 HA ALA 69 -4.434 6.859 12.526 536 HB1 ALA 69 HB1 ALA 69 -3.695 4.967 13.860 537 HB2 ALA 69 HB2 ALA 69 -3.945 3.882 12.493 538 HB3 ALA 69 HB3 ALA 69 -5.324 4.684 13.246 539 H ILE 70 HN ILE 70 -2.789 8.087 11.801 540 HA ILE 70 HA ILE 70 -0.692 7.148 10.140 541 HB ILE 70 HB ILE 70 -1.474 9.516 10.230 542 HG12 ILE 70 HG12 ILE 70 0.808 10.544 10.123 543 HG13 ILE 70 HG11 ILE 70 1.468 9.032 10.738 544 HG21 ILE 70 HG21 ILE 70 -1.739 9.789 12.602 545 HG22 ILE 70 HG22 ILE 70 -0.577 10.973 12.010 546 HG23 ILE 70 HG23 ILE 70 -0.015 9.539 12.864 547 HD11 ILE 70 HD11 ILE 70 -0.052 9.355 8.161 548 HD12 ILE 70 HD12 ILE 70 0.664 7.863 8.770 549 HD13 ILE 70 HD13 ILE 70 1.699 9.218 8.319 550 H THR 71 HN THR 71 -1.201 7.149 13.532 551 HA THR 71 HA THR 71 1.473 7.078 14.429 552 HB THR 71 HB THR 71 0.361 5.832 16.424 553 HG1 THR 71 HG1 THR 71 -1.805 5.722 16.393 554 HG21 THR 71 HG21 THR 71 -0.489 8.625 15.640 555 HG22 THR 71 HG22 THR 71 0.998 8.188 16.480 556 HG23 THR 71 HG23 THR 71 -0.561 7.951 17.269 557 H SER 72 HN SER 72 -0.593 4.693 13.002 558 HA SER 72 HA SER 72 1.080 2.477 13.836 559 HB2 SER 72 HB2 SER 72 -1.372 2.187 13.663 560 HB3 SER 72 HB1 SER 72 -1.281 2.532 11.937 561 HG SER 72 HG SER 72 0.443 0.644 12.263 562 H ILE 73 HN ILE 73 1.152 4.812 11.437 563 HA ILE 73 HA ILE 73 2.482 3.078 9.487 564 HB ILE 73 HB ILE 73 1.836 6.021 9.210 565 HG12 ILE 73 HG12 ILE 73 -0.236 4.713 9.494 566 HG13 ILE 73 HG11 ILE 73 -0.093 5.347 7.858 567 HG21 ILE 73 HG21 ILE 73 3.610 5.234 7.739 568 HG22 ILE 73 HG22 ILE 73 2.157 5.615 6.817 569 HG23 ILE 73 HG23 ILE 73 2.569 3.935 7.156 570 HD11 ILE 73 HD11 ILE 73 -0.919 3.104 7.769 571 HD12 ILE 73 HD12 ILE 73 0.423 2.526 8.755 572 HD13 ILE 73 HD13 ILE 73 0.724 3.130 7.125 573 H VAL 74 HN VAL 74 4.428 2.699 10.563 574 HA VAL 74 HA VAL 74 6.132 5.080 10.931 575 HB VAL 74 HB VAL 74 6.361 2.459 12.425 576 HG11 VAL 74 HG11 VAL 74 8.495 3.601 12.152 577 HG12 VAL 74 HG12 VAL 74 7.963 3.664 13.832 578 HG13 VAL 74 HG13 VAL 74 7.797 5.085 12.802 579 HG21 VAL 74 HG21 VAL 74 4.356 3.640 13.117 580 HG22 VAL 74 HG22 VAL 74 5.284 5.120 13.352 581 HG23 VAL 74 HG23 VAL 74 5.578 3.723 14.386 582 H THR 75 HN THR 75 6.025 1.677 9.971 583 HA THR 75 HA THR 75 8.610 2.041 8.616 584 HB THR 75 HB THR 75 8.704 -0.446 8.511 585 HG1 THR 75 HG1 THR 75 6.238 -0.143 9.870 586 HG21 THR 75 HG21 THR 75 8.391 0.717 11.278 587 HG22 THR 75 HG22 THR 75 9.858 0.740 10.300 588 HG23 THR 75 HG23 THR 75 9.215 -0.793 10.888 589 H VAL 76 HN VAL 76 8.856 1.024 6.490 590 HA VAL 76 HA VAL 76 6.922 1.801 4.657 591 HB VAL 76 HB VAL 76 9.022 -0.355 4.333 592 HG11 VAL 76 HG11 VAL 76 8.789 0.034 1.920 593 HG12 VAL 76 HG12 VAL 76 7.446 1.133 2.230 594 HG13 VAL 76 HG13 VAL 76 7.295 -0.578 2.629 595 HG21 VAL 76 HG21 VAL 76 9.984 1.791 4.913 596 HG22 VAL 76 HG22 VAL 76 9.043 2.583 3.650 597 HG23 VAL 76 HG23 VAL 76 10.307 1.431 3.217 598 H ALA 77 HN ALA 77 7.474 -1.349 6.131 599 HA ALA 77 HA ALA 77 5.706 -2.927 4.730 600 HB1 ALA 77 HB1 ALA 77 7.303 -3.761 6.397 601 HB2 ALA 77 HB2 ALA 77 5.677 -4.392 6.658 602 HB3 ALA 77 HB3 ALA 77 6.294 -3.095 7.681 603 H ASP 78 HN ASP 78 5.008 -0.672 7.353 604 HA ASP 78 HA ASP 78 2.408 -1.555 7.960 605 HB2 ASP 78 HB2 ASP 78 3.578 1.228 8.183 606 HB3 ASP 78 HB1 ASP 78 2.056 0.719 8.899 607 H LEU 79 HN LEU 79 3.519 1.022 5.791 608 HA LEU 79 HA LEU 79 0.873 1.647 4.897 609 HB2 LEU 79 HB2 LEU 79 2.732 3.289 4.982 610 HB3 LEU 79 HB1 LEU 79 3.541 2.403 3.704 611 HG LEU 79 HG LEU 79 1.637 2.906 2.192 612 HD11 LEU 79 HD11 LEU 79 -0.112 3.194 3.850 613 HD12 LEU 79 HD12 LEU 79 0.038 4.643 2.856 614 HD13 LEU 79 HD13 LEU 79 0.703 4.622 4.489 615 HD21 LEU 79 HD21 LEU 79 2.202 5.261 1.861 616 HD22 LEU 79 HD22 LEU 79 3.644 4.297 2.188 617 HD23 LEU 79 HD23 LEU 79 2.952 5.309 3.456 618 H ALA 80 HN ALA 80 3.556 -0.284 3.704 619 HA ALA 80 HA ALA 80 2.605 -0.710 1.090 620 HB1 ALA 80 HB1 ALA 80 4.191 -2.556 1.004 621 HB2 ALA 80 HB2 ALA 80 4.377 -2.493 2.757 622 HB3 ALA 80 HB3 ALA 80 4.920 -1.140 1.763 623 H ARG 81 HN ARG 81 2.267 -2.685 4.043 624 HA ARG 81 HA ARG 81 0.870 -4.774 2.729 625 HB2 ARG 81 HB2 ARG 81 0.566 -5.748 4.862 626 HB3 ARG 81 HB1 ARG 81 2.134 -4.959 4.909 627 HG2 ARG 81 HG2 ARG 81 1.046 -3.029 6.056 628 HG3 ARG 81 HG1 ARG 81 -0.432 -3.988 6.141 629 HD2 ARG 81 HD2 ARG 81 2.233 -4.613 7.398 630 HD3 ARG 81 HD1 ARG 81 0.731 -4.202 8.224 631 HE ARG 81 HE ARG 81 0.338 -6.507 6.646 632 HH11 ARG 81 HH11 ARG 81 1.948 -5.457 9.574 633 HH12 ARG 81 HH12 ARG 81 1.917 -7.030 10.306 634 HH21 ARG 81 HH21 ARG 81 0.299 -8.575 7.597 635 HH22 ARG 81 HH22 ARG 81 0.974 -8.810 9.179 636 H ALA 82 HN ALA 82 -0.115 -1.713 3.901 637 HA ALA 82 HA ALA 82 -2.825 -2.242 4.466 638 HB1 ALA 82 HB1 ALA 82 -1.696 -0.168 5.134 639 HB2 ALA 82 HB2 ALA 82 -3.165 0.157 4.215 640 HB3 ALA 82 HB3 ALA 82 -1.587 0.313 3.442 641 H TYR 83 HN TYR 83 -1.214 -1.128 1.497 642 HA TYR 83 HA TYR 83 -3.690 -1.314 0.009 643 HB2 TYR 83 HB2 TYR 83 -0.883 -0.602 -0.860 644 HB3 TYR 83 HB1 TYR 83 -2.289 -0.575 -1.921 645 HD1 TYR 83 HD1 TYR 83 -0.412 1.213 0.576 646 HD2 TYR 83 HD2 TYR 83 -4.174 1.016 -1.398 647 HE1 TYR 83 HE1 TYR 83 -0.906 3.507 1.303 648 HE2 TYR 83 HE2 TYR 83 -4.679 3.314 -0.678 649 HH TYR 83 HH TYR 83 -4.010 4.884 1.072 650 H ALA 84 HN ALA 84 -0.921 -3.276 0.635 651 HA ALA 84 HA ALA 84 -1.219 -5.053 -1.581 652 HB1 ALA 84 HB1 ALA 84 0.066 -5.588 1.092 653 HB2 ALA 84 HB2 ALA 84 0.875 -4.838 -0.283 654 HB3 ALA 84 HB3 ALA 84 0.308 -6.505 -0.394 655 H GLN 85 HN GLN 85 -3.069 -4.488 1.134 656 HA GLN 85 HA GLN 85 -4.057 -7.083 1.698 657 HB2 GLN 85 HB2 GLN 85 -4.285 -5.153 3.228 658 HB3 GLN 85 HB1 GLN 85 -5.381 -4.390 2.086 659 HG2 GLN 85 HG2 GLN 85 -6.900 -6.346 2.355 660 HG3 GLN 85 HG1 GLN 85 -5.838 -6.921 3.638 661 HE21 GLN 85 HE21 GLN 85 -5.267 -4.190 4.561 662 HE22 GLN 85 HE22 GLN 85 -6.683 -3.671 5.404 663 H GLN 86 HN GLN 86 -4.915 -4.591 -0.622 664 HA GLN 86 HA GLN 86 -7.383 -5.835 -1.399 665 HB2 GLN 86 HB2 GLN 86 -6.878 -3.357 -1.561 666 HB3 GLN 86 HB1 GLN 86 -5.820 -3.732 -2.912 667 HG2 GLN 86 HG2 GLN 86 -8.551 -4.796 -3.124 668 HG3 GLN 86 HG1 GLN 86 -8.418 -3.040 -3.145 669 HE21 GLN 86 HE21 GLN 86 -9.123 -2.990 -5.288 670 HE22 GLN 86 HE22 GLN 86 -8.099 -3.458 -6.601 671 H GLY 87 HN GLY 87 -7.802 -6.965 -3.318 672 HA2 GLY 87 HA2 GLY 87 -6.762 -7.707 -5.497 673 HA3 GLY 87 HA1 GLY 87 -5.393 -8.197 -4.506 674 H VAL 88 HN VAL 88 -7.403 -8.952 -2.371 675 HA VAL 88 HA VAL 88 -7.692 -11.693 -3.079 676 HB VAL 88 HB VAL 88 -8.948 -11.890 -0.942 677 HG11 VAL 88 HG11 VAL 88 -7.067 -11.309 0.521 678 HG12 VAL 88 HG12 VAL 88 -6.358 -10.354 -0.782 679 HG13 VAL 88 HG13 VAL 88 -6.528 -12.099 -0.960 680 HG21 VAL 88 HG21 VAL 88 -8.488 -8.911 -0.756 681 HG22 VAL 88 HG22 VAL 88 -9.097 -9.936 0.542 682 HG23 VAL 88 HG23 VAL 88 -10.048 -9.716 -0.927 683 HA PRO 89 HA PRO 89 -11.576 -11.559 -5.231 684 HB2 PRO 89 HB2 PRO 89 -12.084 -14.214 -4.027 685 HB3 PRO 89 HB1 PRO 89 -12.017 -13.745 -5.729 686 HG2 PRO 89 HG2 PRO 89 -10.052 -15.168 -4.603 687 HG3 PRO 89 HG1 PRO 89 -9.715 -13.931 -5.827 688 HD2 PRO 89 HD2 PRO 89 -9.392 -13.798 -2.857 689 HD3 PRO 89 HD1 PRO 89 -8.348 -13.148 -4.136 690 H GLY 90 HN GLY 90 -12.973 -10.182 -4.334 691 HA2 GLY 90 HA2 GLY 90 -14.133 -10.834 -1.716 692 HA3 GLY 90 HA1 GLY 90 -14.138 -9.247 -2.471 693 HA PRO 91 HA PRO 91 -18.271 -11.435 -3.084 694 HB2 PRO 91 HB2 PRO 91 -19.765 -9.364 -2.102 695 HB3 PRO 91 HB1 PRO 91 -19.201 -10.722 -1.123 696 HG2 PRO 91 HG2 PRO 91 -18.051 -7.975 -1.396 697 HG3 PRO 91 HG1 PRO 91 -18.254 -8.967 0.060 698 HD2 PRO 91 HD2 PRO 91 -15.876 -8.726 -1.180 699 HD3 PRO 91 HD1 PRO 91 -16.373 -10.235 -0.389 700 H SER 92 HN SER 92 -18.792 -11.287 -5.148 701 HA SER 92 HA SER 92 -18.747 -8.683 -6.480 702 HB2 SER 92 HB2 SER 92 -19.116 -10.323 -8.522 703 HB3 SER 92 HB1 SER 92 -17.518 -10.131 -7.800 704 HG SER 92 HG SER 92 -17.658 -12.232 -7.651 705 HA PRO 93 HA PRO 93 -23.166 -8.270 -6.085 706 HB2 PRO 93 HB2 PRO 93 -22.734 -6.737 -8.607 707 HB3 PRO 93 HB1 PRO 93 -23.618 -6.277 -7.147 708 HG2 PRO 93 HG2 PRO 93 -21.208 -5.273 -7.625 709 HG3 PRO 93 HG1 PRO 93 -21.679 -5.747 -5.984 710 HD2 PRO 93 HD2 PRO 93 -19.877 -7.135 -7.910 711 HD3 PRO 93 HD1 PRO 93 -19.774 -7.025 -6.143 712 H ASP 94 HN ASP 94 -21.643 -9.130 -9.180 713 HA ASP 94 HA ASP 94 -24.100 -10.611 -9.846 714 HB2 ASP 94 HB2 ASP 94 -23.400 -8.894 -11.515 715 HB3 ASP 94 HB1 ASP 94 -21.899 -9.789 -11.748 716 HA PRO 95 HA PRO 95 -21.491 -14.108 -8.926 717 HB2 PRO 95 HB2 PRO 95 -23.429 -15.953 -8.830 718 HB3 PRO 95 HB1 PRO 95 -23.250 -14.732 -7.565 719 HG2 PRO 95 HG2 PRO 95 -25.161 -14.813 -9.865 720 HG3 PRO 95 HG1 PRO 95 -25.455 -14.343 -8.181 721 HD2 PRO 95 HD2 PRO 95 -25.033 -12.562 -10.233 722 HD3 PRO 95 HD1 PRO 95 -24.710 -12.210 -8.525 723 H LEU 96 HN LEU 96 -23.148 -13.488 -11.827 724 HA LEU 96 HA LEU 96 -22.728 -16.117 -12.977 725 HB2 LEU 96 HB2 LEU 96 -24.640 -14.358 -13.437 726 HB3 LEU 96 HB1 LEU 96 -23.487 -13.710 -14.581 727 HG LEU 96 HG LEU 96 -25.120 -15.192 -15.654 728 HD11 LEU 96 HD11 LEU 96 -22.329 -16.328 -15.644 729 HD12 LEU 96 HD12 LEU 96 -22.912 -15.005 -16.654 730 HD13 LEU 96 HD13 LEU 96 -23.563 -16.630 -16.867 731 HD21 LEU 96 HD21 LEU 96 -25.149 -17.569 -15.205 732 HD22 LEU 96 HD22 LEU 96 -25.519 -16.670 -13.733 733 HD23 LEU 96 HD23 LEU 96 -23.919 -17.376 -13.958 734 H ASP 97 HN ASP 97 -21.577 -12.794 -13.609 735 HA ASP 97 HA ASP 97 -19.467 -13.671 -15.338 736 HB2 ASP 97 HB2 ASP 97 -19.991 -11.043 -13.941 737 HB3 ASP 97 HB1 ASP 97 -18.577 -11.309 -14.953 738 H ALA 98 HN ALA 98 -19.910 -13.580 -11.987 739 HA ALA 98 HA ALA 98 -17.162 -13.451 -11.206 740 HB1 ALA 98 HB1 ALA 98 -17.955 -14.087 -9.004 741 HB2 ALA 98 HB2 ALA 98 -19.528 -14.517 -9.673 742 HB3 ALA 98 HB3 ALA 98 -18.996 -12.836 -9.683 743 H GLN 99 HN GLN 99 -19.405 -15.953 -12.125 744 HA GLN 99 HA GLN 99 -17.639 -18.101 -11.340 745 HB2 GLN 99 HB2 GLN 99 -20.094 -18.403 -11.311 746 HB3 GLN 99 HB1 GLN 99 -20.137 -18.162 -13.052 747 HG2 GLN 99 HG2 GLN 99 -20.266 -20.519 -12.491 748 HG3 GLN 99 HG1 GLN 99 -18.782 -20.160 -13.374 749 HE21 GLN 99 HE21 GLN 99 -17.664 -21.914 -12.605 750 HE22 GLN 99 HE22 GLN 99 -17.154 -22.062 -10.960 751 H LEU 100 HN LEU 100 -18.810 -16.678 -14.364 752 HA LEU 100 HA LEU 100 -16.803 -18.101 -15.896 753 HB2 LEU 100 HB2 LEU 100 -18.827 -16.030 -16.757 754 HB3 LEU 100 HB1 LEU 100 -17.805 -16.960 -17.835 755 HG LEU 100 HG LEU 100 -19.973 -18.081 -16.053 756 HD11 LEU 100 HD11 LEU 100 -19.844 -17.769 -19.049 757 HD12 LEU 100 HD12 LEU 100 -20.836 -16.807 -17.952 758 HD13 LEU 100 HD13 LEU 100 -21.145 -18.534 -18.137 759 HD21 LEU 100 HD21 LEU 100 -18.153 -19.666 -16.311 760 HD22 LEU 100 HD22 LEU 100 -18.172 -19.436 -18.060 761 HD23 LEU 100 HD23 LEU 100 -19.550 -20.185 -17.254 762 H ARG 101 HN ARG 101 -15.081 -17.067 -14.601 763 HA ARG 101 HA ARG 101 -14.626 -14.263 -14.746 764 HB2 ARG 101 HB2 ARG 101 -12.761 -16.537 -14.050 765 HB3 ARG 101 HB1 ARG 101 -12.363 -14.835 -13.865 766 HG2 ARG 101 HG2 ARG 101 -14.145 -14.570 -12.240 767 HG3 ARG 101 HG1 ARG 101 -14.620 -16.256 -12.464 768 HD2 ARG 101 HD2 ARG 101 -12.506 -17.009 -11.598 769 HD3 ARG 101 HD1 ARG 101 -11.908 -15.355 -11.506 770 HE ARG 101 HE ARG 101 -14.245 -15.557 -9.968 771 HH11 ARG 101 HH11 ARG 101 -10.952 -16.731 -9.963 772 HH12 ARG 101 HH12 ARG 101 -10.843 -16.813 -8.234 773 HH21 ARG 101 HH21 ARG 101 -14.111 -15.666 -7.684 774 HH22 ARG 101 HH22 ARG 101 -12.646 -16.209 -6.937 775 H ASP 102 HN ASP 102 -13.788 -16.959 -16.766 776 HA ASP 102 HA ASP 102 -11.897 -15.321 -18.292 777 HB2 ASP 102 HB2 ASP 102 -12.530 -18.273 -18.504 778 HB3 ASP 102 HB1 ASP 102 -11.324 -17.427 -19.463 779 H LEU 103 HN LEU 103 -15.130 -16.154 -18.286 780 HA LEU 103 HA LEU 103 -15.378 -15.463 -21.121 781 HB2 LEU 103 HB2 LEU 103 -15.483 -17.933 -20.855 782 HB3 LEU 103 HB1 LEU 103 -16.860 -17.733 -19.792 783 HG LEU 103 HG LEU 103 -18.171 -16.802 -21.638 784 HD11 LEU 103 HD11 LEU 103 -16.398 -15.756 -22.914 785 HD12 LEU 103 HD12 LEU 103 -17.295 -16.884 -23.928 786 HD13 LEU 103 HD13 LEU 103 -15.713 -17.333 -23.295 787 HD21 LEU 103 HD21 LEU 103 -18.218 -19.203 -21.226 788 HD22 LEU 103 HD22 LEU 103 -16.843 -19.423 -22.307 789 HD23 LEU 103 HD23 LEU 103 -18.385 -18.853 -22.946 790 H ARG 104 HN ARG 104 -15.718 -13.592 -19.291 791 HA ARG 104 HA ARG 104 -18.286 -13.321 -18.168 792 HB2 ARG 104 HB2 ARG 104 -16.326 -11.206 -19.080 793 HB3 ARG 104 HB1 ARG 104 -17.759 -10.886 -18.113 794 HG2 ARG 104 HG2 ARG 104 -16.878 -12.256 -16.314 795 HG3 ARG 104 HG1 ARG 104 -15.456 -12.638 -17.287 796 HD2 ARG 104 HD2 ARG 104 -14.837 -10.283 -17.326 797 HD3 ARG 104 HD1 ARG 104 -16.274 -9.879 -16.389 798 HE ARG 104 HE ARG 104 -15.055 -11.641 -14.784 799 HH11 ARG 104 HH11 ARG 104 -13.844 -8.838 -16.487 800 HH12 ARG 104 HH12 ARG 104 -12.630 -8.484 -15.303 801 HH21 ARG 104 HH21 ARG 104 -13.460 -11.185 -13.219 802 HH22 ARG 104 HH22 ARG 104 -12.417 -9.813 -13.431 803 H GLN 105 HN GLN 105 -20.136 -12.252 -18.906 804 HA GLN 105 HA GLN 105 -20.448 -12.420 -21.778 805 HB2 GLN 105 HB2 GLN 105 -22.845 -11.923 -21.327 806 HB3 GLN 105 HB1 GLN 105 -22.241 -13.345 -20.493 807 HG2 GLN 105 HG2 GLN 105 -22.077 -12.090 -18.424 808 HG3 GLN 105 HG1 GLN 105 -22.615 -10.629 -19.253 809 HE21 GLN 105 HE21 GLN 105 -23.551 -13.724 -18.006 810 HE22 GLN 105 HE22 GLN 105 -25.259 -13.474 -18.099 811 H LEU 106 HN LEU 106 -19.608 -10.815 -22.868 812 HA LEU 106 HA LEU 106 -19.995 -8.072 -21.906 813 HB2 LEU 106 HB2 LEU 106 -18.045 -9.165 -23.935 814 HB3 LEU 106 HB1 LEU 106 -18.159 -7.486 -23.451 815 HG LEU 106 HG LEU 106 -17.416 -9.759 -21.607 816 HD11 LEU 106 HD11 LEU 106 -15.691 -9.380 -23.277 817 HD12 LEU 106 HD12 LEU 106 -15.160 -8.823 -21.691 818 HD13 LEU 106 HD13 LEU 106 -15.690 -7.657 -22.903 819 HD21 LEU 106 HD21 LEU 106 -16.772 -7.968 -20.064 820 HD22 LEU 106 HD22 LEU 106 -18.494 -7.920 -20.439 821 HD23 LEU 106 HD23 LEU 106 -17.393 -6.771 -21.200 Start of MODEL 10 1 H GLY -4 HT1 GLY -4 1.549 -25.692 -10.706 2 HA2 GLY -4 HA1 GLY -4 0.549 -23.614 -10.051 3 HA3 GLY -4 HA2 GLY -4 0.682 -24.707 -8.682 4 H ILE -3 HN ILE -3 0.355 -22.317 -7.845 5 HA ILE -3 HA ILE -3 2.979 -21.021 -7.545 6 HB ILE -3 HB ILE -3 0.259 -19.865 -6.907 7 HG12 ILE -3 HG12 ILE -3 1.969 -19.413 -9.364 8 HG13 ILE -3 HG11 ILE -3 0.504 -20.387 -9.324 9 HG21 ILE -3 HG21 ILE -3 1.442 -17.723 -6.902 10 HG22 ILE -3 HG22 ILE -3 2.959 -18.559 -7.226 11 HG23 ILE -3 HG23 ILE -3 2.112 -18.832 -5.704 12 HD11 ILE -3 HD11 ILE -3 0.071 -18.193 -10.251 13 HD12 ILE -3 HD12 ILE -3 0.680 -17.433 -8.781 14 HD13 ILE -3 HD13 ILE -3 -0.791 -18.404 -8.727 15 H ASP -2 HN ASP -2 3.904 -20.820 -5.561 16 HA ASP -2 HA ASP -2 2.720 -22.183 -3.302 17 HB2 ASP -2 HB2 ASP -2 5.292 -20.608 -3.576 18 HB3 ASP -2 HB1 ASP -2 4.813 -21.487 -2.138 19 HA PRO -1 HA PRO -1 0.536 -18.471 -1.985 20 HB2 PRO -1 HB2 PRO -1 0.466 -20.012 0.559 21 HB3 PRO -1 HB1 PRO -1 -0.855 -19.249 -0.331 22 HG2 PRO -1 HG2 PRO -1 -0.528 -21.897 -0.361 23 HG3 PRO -1 HG1 PRO -1 -1.059 -21.019 -1.808 24 HD2 PRO -1 HD2 PRO -1 1.617 -22.168 -1.161 25 HD3 PRO -1 HD1 PRO -1 0.779 -22.063 -2.721 26 H PHE 0 HN PHE 0 3.159 -20.035 -0.231 27 HA PHE 0 HA PHE 0 3.653 -17.894 1.572 28 HB2 PHE 0 HB2 PHE 0 4.405 -20.216 1.981 29 HB3 PHE 0 HB1 PHE 0 5.536 -20.074 0.641 30 HD1 PHE 0 HD1 PHE 0 4.683 -18.619 3.946 31 HD2 PHE 0 HD2 PHE 0 7.667 -19.223 0.977 32 HE1 PHE 0 HE1 PHE 0 6.384 -17.719 5.478 33 HE2 PHE 0 HE2 PHE 0 9.376 -18.326 2.502 34 HZ PHE 0 HZ PHE 0 8.718 -17.560 4.763 35 H THR 1 HN THR 1 5.208 -18.883 -1.483 36 HA THR 1 HA THR 1 7.020 -16.676 -1.454 37 HB THR 1 HB THR 1 7.464 -17.358 -3.844 38 HG1 THR 1 HG1 THR 1 5.633 -18.362 -4.502 39 HG21 THR 1 HG21 THR 1 8.810 -18.226 -2.002 40 HG22 THR 1 HG22 THR 1 8.570 -19.463 -3.234 41 HG23 THR 1 HG23 THR 1 7.638 -19.516 -1.738 42 H LEU 2 HN LEU 2 3.887 -17.334 -2.895 43 HA LEU 2 HA LEU 2 3.745 -15.106 -4.602 44 HB2 LEU 2 HB2 LEU 2 2.176 -16.984 -4.704 45 HB3 LEU 2 HB1 LEU 2 1.522 -16.533 -3.141 46 HG LEU 2 HG LEU 2 0.746 -14.388 -4.121 47 HD11 LEU 2 HD11 LEU 2 2.342 -14.178 -5.933 48 HD12 LEU 2 HD12 LEU 2 0.694 -14.161 -6.562 49 HD13 LEU 2 HD13 LEU 2 1.679 -15.616 -6.710 50 HD21 LEU 2 HD21 LEU 2 -1.111 -15.345 -5.381 51 HD22 LEU 2 HD22 LEU 2 -0.757 -16.303 -3.943 52 HD23 LEU 2 HD23 LEU 2 -0.232 -16.867 -5.529 53 H ASN 3 HN ASN 3 2.929 -15.525 -1.194 54 HA ASN 3 HA ASN 3 1.784 -13.016 -0.723 55 HB2 ASN 3 HB2 ASN 3 1.844 -15.002 0.858 56 HB3 ASN 3 HB1 ASN 3 3.500 -14.544 1.242 57 HD21 ASN 3 HD21 ASN 3 3.088 -14.090 3.367 58 HD22 ASN 3 HD22 ASN 3 2.141 -12.737 3.884 59 H HIS 4 HN HIS 4 5.143 -14.070 -0.812 60 HA HIS 4 HA HIS 4 6.166 -11.500 -0.012 61 HB2 HIS 4 HB2 HIS 4 7.486 -13.990 -1.081 62 HB3 HIS 4 HB1 HIS 4 8.383 -12.509 -0.771 63 HD1 HIS 4 HD1 HIS 4 8.174 -15.519 0.758 64 HD2 HIS 4 HD2 HIS 4 7.282 -11.704 2.138 65 HE1 HIS 4 HE1 HIS 4 8.300 -15.662 3.261 66 HE2 HIS 4 HE2 HIS 4 7.540 -13.402 4.070 67 H GLN 5 HN GLN 5 5.526 -13.167 -3.023 68 HA GLN 5 HA GLN 5 6.922 -11.423 -4.741 69 HB2 GLN 5 HB2 GLN 5 6.053 -13.672 -5.378 70 HB3 GLN 5 HB1 GLN 5 4.423 -13.013 -5.350 71 HG2 GLN 5 HG2 GLN 5 5.114 -11.394 -7.102 72 HG3 GLN 5 HG1 GLN 5 6.665 -12.223 -7.192 73 HE21 GLN 5 HE21 GLN 5 5.379 -14.839 -6.707 74 HE22 GLN 5 HE22 GLN 5 4.631 -15.267 -8.204 75 H VAL 6 HN VAL 6 3.482 -11.509 -3.785 76 HA VAL 6 HA VAL 6 2.785 -9.148 -5.178 77 HB VAL 6 HB VAL 6 1.107 -10.800 -4.428 78 HG11 VAL 6 HG11 VAL 6 1.639 -9.713 -1.669 79 HG12 VAL 6 HG12 VAL 6 2.010 -11.339 -2.241 80 HG13 VAL 6 HG13 VAL 6 0.333 -10.812 -2.109 81 HG21 VAL 6 HG21 VAL 6 -0.604 -9.207 -3.716 82 HG22 VAL 6 HG22 VAL 6 0.399 -8.543 -5.006 83 HG23 VAL 6 HG23 VAL 6 0.651 -8.025 -3.340 84 H MET 7 HN MET 7 4.194 -9.745 -2.053 85 HA MET 7 HA MET 7 3.813 -7.126 -0.994 86 HB2 MET 7 HB2 MET 7 4.368 -9.253 0.314 87 HB3 MET 7 HB1 MET 7 6.026 -9.025 -0.225 88 HG2 MET 7 HG2 MET 7 5.735 -8.127 1.995 89 HG3 MET 7 HG1 MET 7 6.066 -6.826 0.850 90 HE1 MET 7 HE1 MET 7 4.906 -6.290 3.752 91 HE2 MET 7 HE2 MET 7 3.648 -5.104 3.400 92 HE3 MET 7 HE3 MET 7 5.205 -5.009 2.577 93 H ASP 8 HN ASP 8 6.391 -8.758 -2.754 94 HA ASP 8 HA ASP 8 8.261 -6.668 -2.789 95 HB2 ASP 8 HB2 ASP 8 8.851 -8.934 -3.466 96 HB3 ASP 8 HB1 ASP 8 7.732 -8.850 -4.821 97 H GLN 9 HN GLN 9 5.477 -7.372 -4.805 98 HA GLN 9 HA GLN 9 5.939 -5.418 -6.787 99 HB2 GLN 9 HB2 GLN 9 3.408 -6.757 -5.845 100 HB3 GLN 9 HB1 GLN 9 3.468 -5.668 -7.224 101 HG2 GLN 9 HG2 GLN 9 5.049 -8.216 -6.970 102 HG3 GLN 9 HG1 GLN 9 3.539 -8.038 -7.864 103 HE21 GLN 9 HE21 GLN 9 6.928 -7.293 -7.785 104 HE22 GLN 9 HE22 GLN 9 7.049 -6.716 -9.412 105 H VAL 10 HN VAL 10 3.885 -5.320 -3.857 106 HA VAL 10 HA VAL 10 3.101 -2.623 -4.296 107 HB VAL 10 HB VAL 10 1.703 -4.030 -2.914 108 HG11 VAL 10 HG11 VAL 10 3.359 -5.477 -1.932 109 HG12 VAL 10 HG12 VAL 10 2.395 -4.728 -0.660 110 HG13 VAL 10 HG13 VAL 10 4.022 -4.136 -0.998 111 HG21 VAL 10 HG21 VAL 10 1.642 -1.634 -2.469 112 HG22 VAL 10 HG22 VAL 10 2.926 -1.816 -1.273 113 HG23 VAL 10 HG23 VAL 10 1.351 -2.560 -0.996 114 H PHE 11 HN PHE 11 5.742 -4.131 -2.513 115 HA PHE 11 HA PHE 11 6.726 -1.764 -1.321 116 HB2 PHE 11 HB2 PHE 11 7.475 -3.962 -0.562 117 HB3 PHE 11 HB1 PHE 11 8.212 -4.274 -2.131 118 HD1 PHE 11 HD1 PHE 11 8.368 -2.019 0.805 119 HD2 PHE 11 HD2 PHE 11 10.408 -3.627 -2.559 120 HE1 PHE 11 HE1 PHE 11 10.466 -1.020 1.611 121 HE2 PHE 11 HE2 PHE 11 12.511 -2.632 -1.760 122 HZ PHE 11 HZ PHE 11 12.532 -1.273 0.281 123 H ASP 12 HN ASP 12 7.375 -3.351 -4.410 124 HA ASP 12 HA ASP 12 9.381 -1.670 -5.377 125 HB2 ASP 12 HB2 ASP 12 8.754 -3.753 -6.492 126 HB3 ASP 12 HB1 ASP 12 7.177 -3.086 -6.895 127 H GLN 13 HN GLN 13 5.881 -1.324 -5.410 128 HA GLN 13 HA GLN 13 5.782 0.984 -7.032 129 HB2 GLN 13 HB2 GLN 13 3.820 -0.459 -6.557 130 HB3 GLN 13 HB1 GLN 13 3.824 0.122 -4.895 131 HG2 GLN 13 HG2 GLN 13 2.159 1.313 -6.130 132 HG3 GLN 13 HG1 GLN 13 3.478 2.419 -5.741 133 HE21 GLN 13 HE21 GLN 13 3.158 3.834 -7.389 134 HE22 GLN 13 HE22 GLN 13 3.364 3.426 -9.058 135 H VAL 14 HN VAL 14 5.616 0.616 -3.476 136 HA VAL 14 HA VAL 14 5.560 3.406 -2.994 137 HB VAL 14 HB VAL 14 6.005 2.894 -0.648 138 HG11 VAL 14 HG11 VAL 14 4.072 1.451 -0.227 139 HG12 VAL 14 HG12 VAL 14 4.067 0.974 -1.925 140 HG13 VAL 14 HG13 VAL 14 3.740 2.647 -1.478 141 HG21 VAL 14 HG21 VAL 14 6.480 0.082 -1.606 142 HG22 VAL 14 HG22 VAL 14 6.298 0.555 0.082 143 HG23 VAL 14 HG23 VAL 14 7.662 1.156 -0.861 144 H GLU 15 HN GLU 15 8.178 1.090 -3.302 145 HA GLU 15 HA GLU 15 10.321 2.635 -2.402 146 HB2 GLU 15 HB2 GLU 15 10.483 0.251 -3.012 147 HB3 GLU 15 HB1 GLU 15 10.235 0.665 -4.700 148 HG2 GLU 15 HG2 GLU 15 12.335 2.007 -4.599 149 HG3 GLU 15 HG1 GLU 15 12.598 1.360 -2.980 150 H HIS 16 HN HIS 16 8.957 2.341 -5.663 151 HA HIS 16 HA HIS 16 10.586 4.308 -6.861 152 HB2 HIS 16 HB2 HIS 16 9.272 2.539 -8.068 153 HB3 HIS 16 HB1 HIS 16 7.812 3.455 -7.716 154 HD1 HIS 16 HD1 HIS 16 10.548 3.168 -10.119 155 HD2 HIS 16 HD2 HIS 16 7.745 6.043 -9.041 156 HE1 HIS 16 HE1 HIS 16 10.530 4.834 -11.998 157 HE2 HIS 16 HE2 HIS 16 8.658 6.423 -11.427 158 H GLN 17 HN GLN 17 7.433 4.439 -5.282 159 HA GLN 17 HA GLN 17 6.754 7.072 -5.928 160 HB2 GLN 17 HB2 GLN 17 5.551 5.039 -4.565 161 HB3 GLN 17 HB1 GLN 17 5.966 6.128 -3.247 162 HG2 GLN 17 HG2 GLN 17 3.817 6.763 -3.881 163 HG3 GLN 17 HG1 GLN 17 4.880 7.950 -4.633 164 HE21 GLN 17 HE21 GLN 17 3.445 8.486 -6.253 165 HE22 GLN 17 HE22 GLN 17 3.054 7.407 -7.543 166 H ILE 18 HN ILE 18 8.497 5.731 -3.139 167 HA ILE 18 HA ILE 18 8.994 8.165 -1.815 168 HB ILE 18 HB ILE 18 10.599 5.601 -1.813 169 HG12 ILE 18 HG12 ILE 18 8.642 6.690 0.222 170 HG13 ILE 18 HG11 ILE 18 8.247 5.469 -0.983 171 HG21 ILE 18 HG21 ILE 18 12.007 7.458 -1.117 172 HG22 ILE 18 HG22 ILE 18 11.622 6.423 0.258 173 HG23 ILE 18 HG23 ILE 18 10.788 7.964 0.054 174 HD11 ILE 18 HD11 ILE 18 8.676 4.436 1.150 175 HD12 ILE 18 HD12 ILE 18 10.261 5.204 1.237 176 HD13 ILE 18 HD13 ILE 18 9.936 3.986 0.003 177 H ALA 19 HN ALA 19 10.845 6.382 -4.252 178 HA ALA 19 HA ALA 19 13.114 7.988 -4.364 179 HB1 ALA 19 HB1 ALA 19 12.939 5.833 -5.498 180 HB2 ALA 19 HB2 ALA 19 13.442 7.101 -6.616 181 HB3 ALA 19 HB3 ALA 19 11.777 6.520 -6.635 182 H GLN 20 HN GLN 20 10.013 8.333 -6.049 183 HA GLN 20 HA GLN 20 10.710 10.565 -7.607 184 HB2 GLN 20 HB2 GLN 20 8.699 9.244 -8.052 185 HB3 GLN 20 HB1 GLN 20 7.999 9.772 -6.527 186 HG2 GLN 20 HG2 GLN 20 7.942 12.065 -7.322 187 HG3 GLN 20 HG1 GLN 20 8.704 11.576 -8.831 188 HE21 GLN 20 HE21 GLN 20 7.011 12.310 -10.077 189 HE22 GLN 20 HE22 GLN 20 5.479 11.511 -10.133 190 H VAL 21 HN VAL 21 9.350 10.310 -4.354 191 HA VAL 21 HA VAL 21 8.977 13.082 -3.938 192 HB VAL 21 HB VAL 21 9.474 10.922 -1.877 193 HG11 VAL 21 HG11 VAL 21 8.350 12.459 -0.319 194 HG12 VAL 21 HG12 VAL 21 8.307 13.687 -1.584 195 HG13 VAL 21 HG13 VAL 21 9.855 13.130 -0.948 196 HG21 VAL 21 HG21 VAL 21 6.894 12.035 -2.974 197 HG22 VAL 21 HG22 VAL 21 7.031 10.890 -1.641 198 HG23 VAL 21 HG23 VAL 21 7.540 10.420 -3.263 199 H LEU 22 HN LEU 22 11.652 10.888 -3.147 200 HA LEU 22 HA LEU 22 13.328 12.759 -1.901 201 HB2 LEU 22 HB2 LEU 22 14.082 10.353 -3.565 202 HB3 LEU 22 HB1 LEU 22 15.167 11.218 -2.492 203 HG LEU 22 HG LEU 22 12.684 9.746 -1.607 204 HD11 LEU 22 HD11 LEU 22 15.589 8.969 -1.389 205 HD12 LEU 22 HD12 LEU 22 14.392 8.220 -2.447 206 HD13 LEU 22 HD13 LEU 22 14.225 8.093 -0.696 207 HD21 LEU 22 HD21 LEU 22 13.610 10.062 0.644 208 HD22 LEU 22 HD22 LEU 22 13.249 11.600 -0.139 209 HD23 LEU 22 HD23 LEU 22 14.916 11.032 -0.036 210 H GLY 23 HN GLY 23 13.054 11.793 -5.298 211 HA2 GLY 23 HA2 GLY 23 15.058 13.484 -6.319 212 HA3 GLY 23 HA1 GLY 23 13.703 12.837 -7.232 213 H ALA 24 HN ALA 24 11.635 14.026 -5.688 214 HA ALA 24 HA ALA 24 11.469 16.565 -6.926 215 HB1 ALA 24 HB1 ALA 24 9.796 15.438 -4.684 216 HB2 ALA 24 HB2 ALA 24 9.492 15.219 -6.407 217 HB3 ALA 24 HB3 ALA 24 9.383 16.826 -5.690 218 H LYS 25 HN LYS 25 12.197 15.546 -3.616 219 HA LYS 25 HA LYS 25 12.362 18.222 -2.607 220 HB2 LYS 25 HB2 LYS 25 13.399 15.628 -1.445 221 HB3 LYS 25 HB1 LYS 25 13.337 17.162 -0.590 222 HG2 LYS 25 HG2 LYS 25 10.961 15.636 -1.641 223 HG3 LYS 25 HG1 LYS 25 11.491 15.701 0.041 224 HD2 LYS 25 HD2 LYS 25 11.084 18.102 0.092 225 HD3 LYS 25 HD1 LYS 25 10.609 18.071 -1.606 226 HE2 LYS 25 HE2 LYS 25 8.755 16.550 -1.032 227 HE3 LYS 25 HE1 LYS 25 9.212 16.664 0.666 228 HZ1 LYS 25 HZ1 LYS 25 8.754 19.025 0.607 229 HZ2 LYS 25 HZ2 LYS 25 7.391 18.162 0.111 230 HZ3 LYS 25 HZ3 LYS 25 8.358 18.941 -1.033 231 H GLY 26 HN GLY 26 14.419 16.268 -4.444 232 HA2 GLY 26 HA2 GLY 26 16.478 16.769 -5.359 233 HA3 GLY 26 HA1 GLY 26 16.458 18.286 -4.470 234 H GLY 27 HN GLY 27 15.954 15.315 -2.783 235 HA2 GLY 27 HA2 GLY 27 18.458 15.791 -1.339 236 HA3 GLY 27 HA1 GLY 27 17.107 14.818 -0.774 237 HA PRO 28 HA PRO 28 20.490 12.137 -2.728 238 HB2 PRO 28 HB2 PRO 28 21.008 11.140 -0.030 239 HB3 PRO 28 HB1 PRO 28 22.143 11.807 -1.206 240 HG2 PRO 28 HG2 PRO 28 21.467 13.112 1.065 241 HG3 PRO 28 HG1 PRO 28 21.881 13.957 -0.437 242 HD2 PRO 28 HD2 PRO 28 19.183 13.395 0.740 243 HD3 PRO 28 HD1 PRO 28 19.784 14.870 -0.050 244 H LEU 29 HN LEU 29 20.048 10.060 -3.283 245 HA LEU 29 HA LEU 29 17.575 8.915 -2.512 246 HB2 LEU 29 HB2 LEU 29 18.648 8.567 -4.719 247 HB3 LEU 29 HB1 LEU 29 19.904 7.627 -3.938 248 HG LEU 29 HG LEU 29 18.188 5.984 -3.225 249 HD11 LEU 29 HD11 LEU 29 16.369 7.690 -4.916 250 HD12 LEU 29 HD12 LEU 29 16.232 7.387 -3.184 251 HD13 LEU 29 HD13 LEU 29 15.979 6.073 -4.331 252 HD21 LEU 29 HD21 LEU 29 19.486 5.595 -5.238 253 HD22 LEU 29 HD22 LEU 29 18.331 6.533 -6.184 254 HD23 LEU 29 HD23 LEU 29 17.836 5.011 -5.448 255 H VAL 30 HN VAL 30 17.249 8.157 -0.540 256 HA VAL 30 HA VAL 30 19.368 7.037 1.059 257 HB VAL 30 HB VAL 30 17.623 6.758 2.786 258 HG11 VAL 30 HG11 VAL 30 17.128 9.141 3.110 259 HG12 VAL 30 HG12 VAL 30 17.629 9.462 1.449 260 HG13 VAL 30 HG13 VAL 30 18.803 8.875 2.628 261 HG21 VAL 30 HG21 VAL 30 15.733 6.228 1.353 262 HG22 VAL 30 HG22 VAL 30 15.769 7.855 0.675 263 HG23 VAL 30 HG23 VAL 30 15.357 7.617 2.374 264 H ALA 31 HN ALA 31 18.784 4.951 2.318 265 HA ALA 31 HA ALA 31 18.236 2.908 0.303 266 HB1 ALA 31 HB1 ALA 31 20.310 2.729 1.591 267 HB2 ALA 31 HB2 ALA 31 19.250 1.352 1.884 268 HB3 ALA 31 HB3 ALA 31 19.376 2.638 3.083 269 H VAL 32 HN VAL 32 16.135 2.439 0.130 270 HA VAL 32 HA VAL 32 14.535 2.238 2.576 271 HB VAL 32 HB VAL 32 13.490 3.678 0.984 272 HG11 VAL 32 HG11 VAL 32 13.772 1.455 -1.030 273 HG12 VAL 32 HG12 VAL 32 14.624 2.998 -1.038 274 HG13 VAL 32 HG13 VAL 32 12.879 2.955 -1.284 275 HG21 VAL 32 HG21 VAL 32 11.361 2.542 0.579 276 HG22 VAL 32 HG22 VAL 32 11.985 2.197 2.192 277 HG23 VAL 32 HG23 VAL 32 12.126 0.990 0.915 278 H GLU 33 HN GLU 33 14.395 0.307 3.429 279 HA GLU 33 HA GLU 33 14.305 -2.029 1.646 280 HB2 GLU 33 HB2 GLU 33 15.189 -1.892 4.533 281 HB3 GLU 33 HB1 GLU 33 15.104 -3.357 3.566 282 HG2 GLU 33 HG2 GLU 33 16.791 -2.470 2.053 283 HG3 GLU 33 HG1 GLU 33 16.867 -0.986 3.001 284 H ILE 34 HN ILE 34 13.111 -3.941 2.860 285 HA ILE 34 HA ILE 34 10.426 -3.169 2.842 286 HB ILE 34 HB ILE 34 11.111 -5.418 2.248 287 HG12 ILE 34 HG12 ILE 34 9.406 -6.706 3.548 288 HG13 ILE 34 HG11 ILE 34 9.235 -5.317 4.616 289 HG21 ILE 34 HG21 ILE 34 11.765 -5.794 5.163 290 HG22 ILE 34 HG22 ILE 34 12.916 -5.748 3.827 291 HG23 ILE 34 HG23 ILE 34 11.750 -7.067 3.942 292 HD11 ILE 34 HD11 ILE 34 8.663 -5.346 1.660 293 HD12 ILE 34 HD12 ILE 34 8.474 -3.963 2.738 294 HD13 ILE 34 HD13 ILE 34 7.464 -5.394 2.952 295 H ASP 35 HN ASP 35 12.580 -3.791 5.597 296 HA ASP 35 HA ASP 35 10.388 -3.029 7.405 297 HB2 ASP 35 HB2 ASP 35 11.729 -5.219 7.713 298 HB3 ASP 35 HB1 ASP 35 13.033 -4.181 8.279 299 H SER 36 HN SER 36 11.775 -1.103 5.807 300 HA SER 36 HA SER 36 13.600 0.244 7.627 301 HB2 SER 36 HB2 SER 36 13.941 0.060 5.100 302 HB3 SER 36 HB1 SER 36 12.652 1.251 4.945 303 HG SER 36 HG SER 36 15.223 1.528 6.051 304 H ARG 37 HN ARG 37 13.284 2.562 8.088 305 HA ARG 37 HA ARG 37 10.454 3.062 8.731 306 HB2 ARG 37 HB2 ARG 37 12.950 4.178 10.020 307 HB3 ARG 37 HB1 ARG 37 11.299 4.484 10.539 308 HG2 ARG 37 HG2 ARG 37 11.014 2.198 11.191 309 HG3 ARG 37 HG1 ARG 37 12.579 1.763 10.499 310 HD2 ARG 37 HD2 ARG 37 12.119 3.641 12.814 311 HD3 ARG 37 HD1 ARG 37 12.724 1.988 12.923 312 HE ARG 37 HE ARG 37 14.556 2.999 11.340 313 HH11 ARG 37 HH11 ARG 37 13.081 4.491 14.145 314 HH12 ARG 37 HH12 ARG 37 14.485 5.422 14.545 315 HH21 ARG 37 HH21 ARG 37 16.402 4.226 11.866 316 HH22 ARG 37 HH22 ARG 37 16.365 5.286 13.240 317 H PHE 38 HN PHE 38 9.454 4.676 7.788 318 HA PHE 38 HA PHE 38 10.486 6.273 5.767 319 HB2 PHE 38 HB2 PHE 38 8.107 6.747 7.571 320 HB3 PHE 38 HB1 PHE 38 8.455 7.711 6.143 321 HD1 PHE 38 HD1 PHE 38 6.858 4.808 7.409 322 HD2 PHE 38 HD2 PHE 38 8.597 6.477 3.903 323 HE1 PHE 38 HE1 PHE 38 5.639 3.177 6.030 324 HE2 PHE 38 HE2 PHE 38 7.374 4.855 2.519 325 HZ PHE 38 HZ PHE 38 5.847 3.241 3.576 326 H SER 39 HN SER 39 10.285 6.872 9.213 327 HA SER 39 HA SER 39 10.815 9.588 9.325 328 HB2 SER 39 HB2 SER 39 11.951 7.610 11.291 329 HB3 SER 39 HB1 SER 39 11.332 9.233 11.599 330 HG SER 39 HG SER 39 9.261 8.502 11.289 331 H ASP 40 HN ASP 40 13.084 6.865 9.199 332 HA ASP 40 HA ASP 40 15.413 8.513 9.413 333 HB2 ASP 40 HB2 ASP 40 15.485 6.211 10.187 334 HB3 ASP 40 HB1 ASP 40 15.079 5.624 8.577 335 H LEU 41 HN LEU 41 13.500 7.212 6.818 336 HA LEU 41 HA LEU 41 15.352 7.616 4.710 337 HB2 LEU 41 HB2 LEU 41 12.428 7.104 4.916 338 HB3 LEU 41 HB1 LEU 41 13.044 7.718 3.397 339 HG LEU 41 HG LEU 41 14.447 5.790 3.101 340 HD11 LEU 41 HD11 LEU 41 13.504 4.886 5.815 341 HD12 LEU 41 HD12 LEU 41 15.130 5.434 5.409 342 HD13 LEU 41 HD13 LEU 41 14.497 3.949 4.699 343 HD21 LEU 41 HD21 LEU 41 12.749 4.023 3.004 344 HD22 LEU 41 HD22 LEU 41 12.144 5.563 2.395 345 HD23 LEU 41 HD23 LEU 41 11.682 5.008 4.004 346 H GLY 42 HN GLY 42 13.370 9.761 6.494 347 HA2 GLY 42 HA2 GLY 42 13.962 12.135 6.277 348 HA3 GLY 42 HA1 GLY 42 13.969 11.890 4.539 349 H LEU 43 HN LEU 43 11.514 10.057 5.422 350 HA LEU 43 HA LEU 43 9.583 12.098 4.719 351 HB2 LEU 43 HB2 LEU 43 9.340 9.113 5.093 352 HB3 LEU 43 HB1 LEU 43 7.976 10.145 4.723 353 HG LEU 43 HG LEU 43 8.635 9.108 2.697 354 HD11 LEU 43 HD11 LEU 43 9.236 10.980 1.279 355 HD12 LEU 43 HD12 LEU 43 9.753 11.903 2.690 356 HD13 LEU 43 HD13 LEU 43 8.056 11.465 2.495 357 HD21 LEU 43 HD21 LEU 43 11.444 10.047 3.252 358 HD22 LEU 43 HD22 LEU 43 10.901 9.242 1.780 359 HD23 LEU 43 HD23 LEU 43 10.863 8.384 3.321 360 H SER 44 HN SER 44 9.205 13.375 6.456 361 HA SER 44 HA SER 44 8.639 12.210 9.052 362 HB2 SER 44 HB2 SER 44 8.454 15.089 8.130 363 HB3 SER 44 HB1 SER 44 8.447 14.520 9.801 364 HG SER 44 HG SER 44 10.588 13.674 8.275 365 H SER 45 HN SER 45 6.538 13.762 9.986 366 HA SER 45 HA SER 45 4.358 12.257 9.179 367 HB2 SER 45 HB2 SER 45 4.293 14.996 10.456 368 HB3 SER 45 HB1 SER 45 3.001 13.796 10.489 369 HG SER 45 HG SER 45 4.689 12.391 11.496 370 H LEU 46 HN LEU 46 5.158 15.606 8.219 371 HA LEU 46 HA LEU 46 2.888 15.916 6.543 372 HB2 LEU 46 HB2 LEU 46 5.534 17.366 6.528 373 HB3 LEU 46 HB1 LEU 46 4.124 17.859 5.613 374 HG LEU 46 HG LEU 46 4.272 17.724 8.624 375 HD11 LEU 46 HD11 LEU 46 5.671 19.504 7.744 376 HD12 LEU 46 HD12 LEU 46 4.230 20.171 8.510 377 HD13 LEU 46 HD13 LEU 46 4.334 20.085 6.752 378 HD21 LEU 46 HD21 LEU 46 2.127 18.725 6.761 379 HD22 LEU 46 HD22 LEU 46 2.137 18.954 8.508 380 HD23 LEU 46 HD23 LEU 46 2.026 17.328 7.834 381 H ASP 47 HN ASP 47 6.223 14.938 5.936 382 HA ASP 47 HA ASP 47 6.049 14.830 3.117 383 HB2 ASP 47 HB2 ASP 47 7.849 13.181 4.906 384 HB3 ASP 47 HB1 ASP 47 8.108 13.544 3.204 385 H LEU 48 HN LEU 48 5.581 12.433 5.659 386 HA LEU 48 HA LEU 48 5.057 10.206 4.031 387 HB2 LEU 48 HB2 LEU 48 5.541 9.953 6.383 388 HB3 LEU 48 HB1 LEU 48 4.129 10.895 6.819 389 HG LEU 48 HG LEU 48 2.691 9.102 5.867 390 HD11 LEU 48 HD11 LEU 48 4.295 8.146 4.300 391 HD12 LEU 48 HD12 LEU 48 3.671 6.922 5.404 392 HD13 LEU 48 HD13 LEU 48 5.286 7.586 5.647 393 HD21 LEU 48 HD21 LEU 48 3.031 7.533 7.709 394 HD22 LEU 48 HD22 LEU 48 3.150 9.206 8.252 395 HD23 LEU 48 HD23 LEU 48 4.612 8.246 8.025 396 H ALA 49 HN ALA 49 2.847 12.553 5.545 397 HA ALA 49 HA ALA 49 0.442 11.481 4.631 398 HB1 ALA 49 HB1 ALA 49 0.600 13.265 6.311 399 HB2 ALA 49 HB2 ALA 49 -0.517 13.681 5.012 400 HB3 ALA 49 HB3 ALA 49 1.095 14.396 5.052 401 H THR 50 HN THR 50 2.714 13.650 3.051 402 HA THR 50 HA THR 50 1.175 14.098 0.713 403 HB THR 50 HB THR 50 4.183 14.181 1.043 404 HG1 THR 50 HG1 THR 50 3.086 15.603 2.491 405 HG21 THR 50 HG21 THR 50 2.396 15.507 -0.999 406 HG22 THR 50 HG22 THR 50 3.440 14.121 -1.300 407 HG23 THR 50 HG23 THR 50 4.146 15.680 -0.880 408 H LEU 51 HN LEU 51 3.686 11.753 1.573 409 HA LEU 51 HA LEU 51 3.870 10.429 -0.892 410 HB2 LEU 51 HB2 LEU 51 5.496 10.129 0.903 411 HB3 LEU 51 HB1 LEU 51 4.277 9.371 1.908 412 HG LEU 51 HG LEU 51 4.134 7.509 0.269 413 HD11 LEU 51 HD11 LEU 51 5.899 7.281 -1.409 414 HD12 LEU 51 HD12 LEU 51 6.484 8.895 -1.009 415 HD13 LEU 51 HD13 LEU 51 4.882 8.688 -1.718 416 HD21 LEU 51 HD21 LEU 51 5.533 7.311 2.249 417 HD22 LEU 51 HD22 LEU 51 6.879 8.057 1.388 418 HD23 LEU 51 HD23 LEU 51 6.270 6.482 0.879 419 H ILE 52 HN ILE 52 1.704 9.971 1.856 420 HA ILE 52 HA ILE 52 0.384 7.656 1.005 421 HB ILE 52 HB ILE 52 -0.859 9.979 2.491 422 HG12 ILE 52 HG12 ILE 52 1.155 9.218 3.649 423 HG13 ILE 52 HG11 ILE 52 -0.285 8.750 4.547 424 HG21 ILE 52 HG21 ILE 52 -2.481 8.390 1.605 425 HG22 ILE 52 HG22 ILE 52 -2.412 8.317 3.365 426 HG23 ILE 52 HG23 ILE 52 -1.627 7.068 2.400 427 HD11 ILE 52 HD11 ILE 52 1.338 6.968 4.543 428 HD12 ILE 52 HD12 ILE 52 1.367 6.969 2.781 429 HD13 ILE 52 HD13 ILE 52 -0.096 6.489 3.637 430 H SER 53 HN SER 53 -0.381 11.076 0.406 431 HA SER 53 HA SER 53 -2.637 10.701 -1.194 432 HB2 SER 53 HB2 SER 53 -0.578 12.913 -1.385 433 HB3 SER 53 HB1 SER 53 -2.236 12.979 -1.981 434 HG SER 53 HG SER 53 -2.723 12.425 0.373 435 H ASN 54 HN ASN 54 0.790 10.672 -1.995 436 HA ASN 54 HA ASN 54 0.500 10.614 -4.809 437 HB2 ASN 54 HB2 ASN 54 2.738 9.636 -3.026 438 HB3 ASN 54 HB1 ASN 54 2.833 9.659 -4.782 439 HD21 ASN 54 HD21 ASN 54 4.502 11.034 -2.899 440 HD22 ASN 54 HD22 ASN 54 4.350 12.723 -3.238 441 H LEU 55 HN LEU 55 0.841 8.044 -2.389 442 HA LEU 55 HA LEU 55 0.814 5.926 -4.294 443 HB2 LEU 55 HB2 LEU 55 1.789 5.774 -2.004 444 HB3 LEU 55 HB1 LEU 55 0.163 5.811 -1.349 445 HG LEU 55 HG LEU 55 -0.338 3.706 -2.567 446 HD11 LEU 55 HD11 LEU 55 1.247 3.859 -4.376 447 HD12 LEU 55 HD12 LEU 55 1.573 2.399 -3.443 448 HD13 LEU 55 HD13 LEU 55 2.598 3.820 -3.243 449 HD21 LEU 55 HD21 LEU 55 2.021 3.628 -0.694 450 HD22 LEU 55 HD22 LEU 55 0.994 2.254 -1.102 451 HD23 LEU 55 HD23 LEU 55 0.317 3.634 -0.238 452 H GLU 56 HN GLU 56 -1.633 7.502 -2.316 453 HA GLU 56 HA GLU 56 -3.812 5.842 -2.815 454 HB2 GLU 56 HB2 GLU 56 -3.771 7.743 -1.209 455 HB3 GLU 56 HB1 GLU 56 -3.810 8.861 -2.561 456 HG2 GLU 56 HG2 GLU 56 -5.979 6.835 -2.141 457 HG3 GLU 56 HG1 GLU 56 -5.987 8.385 -1.307 458 H ALA 57 HN ALA 57 -2.485 8.508 -4.713 459 HA ALA 57 HA ALA 57 -4.473 8.618 -6.690 460 HB1 ALA 57 HB1 ALA 57 -1.551 9.306 -6.946 461 HB2 ALA 57 HB2 ALA 57 -2.808 10.379 -6.332 462 HB3 ALA 57 HB3 ALA 57 -2.847 9.845 -8.012 463 H VAL 58 HN VAL 58 -1.826 6.440 -6.221 464 HA VAL 58 HA VAL 58 -1.691 5.487 -8.913 465 HB VAL 58 HB VAL 58 -0.655 4.246 -6.357 466 HG11 VAL 58 HG11 VAL 58 0.043 3.614 -9.222 467 HG12 VAL 58 HG12 VAL 58 -0.905 2.593 -8.143 468 HG13 VAL 58 HG13 VAL 58 0.794 2.909 -7.790 469 HG21 VAL 58 HG21 VAL 58 0.723 5.946 -8.433 470 HG22 VAL 58 HG22 VAL 58 1.513 5.158 -7.067 471 HG23 VAL 58 HG23 VAL 58 0.321 6.428 -6.785 472 H TYR 59 HN TYR 59 -3.293 4.408 -5.951 473 HA TYR 59 HA TYR 59 -4.333 2.051 -7.312 474 HB2 TYR 59 HB2 TYR 59 -4.446 2.982 -4.451 475 HB3 TYR 59 HB1 TYR 59 -5.391 1.614 -5.028 476 HD1 TYR 59 HD1 TYR 59 -4.194 -0.384 -5.951 477 HD2 TYR 59 HD2 TYR 59 -2.152 2.745 -3.920 478 HE1 TYR 59 HE1 TYR 59 -2.280 -1.884 -5.579 479 HE2 TYR 59 HE2 TYR 59 -0.234 1.256 -3.543 480 HH TYR 59 HH TYR 59 0.210 -1.169 -3.406 481 H GLY 60 HN GLY 60 -5.595 4.944 -5.678 482 HA2 GLY 60 HA2 GLY 60 -7.564 6.089 -6.281 483 HA3 GLY 60 HA1 GLY 60 -8.070 4.688 -7.219 484 H THR 61 HN THR 61 -7.075 3.247 -4.597 485 HA THR 61 HA THR 61 -9.657 3.473 -3.211 486 HB THR 61 HB THR 61 -9.063 1.072 -2.457 487 HG1 THR 61 HG1 THR 61 -7.034 0.723 -3.162 488 HG21 THR 61 HG21 THR 61 -10.895 1.581 -3.994 489 HG22 THR 61 HG22 THR 61 -10.055 0.110 -4.490 490 HG23 THR 61 HG23 THR 61 -9.762 1.624 -5.345 491 H ASP 62 HN ASP 62 -9.577 4.163 -1.177 492 HA ASP 62 HA ASP 62 -7.364 3.541 0.565 493 HB2 ASP 62 HB2 ASP 62 -6.409 5.437 -0.597 494 HB3 ASP 62 HB1 ASP 62 -7.866 6.384 -0.333 495 HA PRO 63 HA PRO 63 -11.130 4.203 2.997 496 HB2 PRO 63 HB2 PRO 63 -11.076 1.756 4.207 497 HB3 PRO 63 HB1 PRO 63 -11.838 2.058 2.645 498 HG2 PRO 63 HG2 PRO 63 -9.449 0.526 3.238 499 HG3 PRO 63 HG1 PRO 63 -10.328 0.662 1.708 500 HD2 PRO 63 HD2 PRO 63 -7.893 2.042 2.580 501 HD3 PRO 63 HD1 PRO 63 -8.576 1.890 0.949 502 H PHE 64 HN PHE 64 -10.719 5.518 4.687 503 HA PHE 64 HA PHE 64 -8.434 5.184 6.368 504 HB2 PHE 64 HB2 PHE 64 -10.779 7.064 6.452 505 HB3 PHE 64 HB1 PHE 64 -9.549 7.050 7.711 506 HD1 PHE 64 HD1 PHE 64 -7.073 7.148 6.791 507 HD2 PHE 64 HD2 PHE 64 -10.511 8.528 4.700 508 HE1 PHE 64 HE1 PHE 64 -5.652 8.641 5.449 509 HE2 PHE 64 HE2 PHE 64 -9.098 10.021 3.353 510 HZ PHE 64 HZ PHE 64 -6.667 10.079 3.727 511 H ALA 65 HN ALA 65 -11.157 3.427 6.282 512 HA ALA 65 HA ALA 65 -11.816 3.090 8.997 513 HB1 ALA 65 HB1 ALA 65 -12.692 0.903 8.323 514 HB2 ALA 65 HB2 ALA 65 -11.882 1.059 6.765 515 HB3 ALA 65 HB3 ALA 65 -13.183 2.167 7.196 516 H ASP 66 HN ASP 66 -9.333 1.642 6.940 517 HA ASP 66 HA ASP 66 -8.079 0.556 9.369 518 HB2 ASP 66 HB2 ASP 66 -6.816 -0.959 7.897 519 HB3 ASP 66 HB1 ASP 66 -8.551 -1.177 7.724 520 H ALA 67 HN ALA 67 -7.635 2.655 6.608 521 HA ALA 67 HA ALA 67 -4.827 3.065 7.078 522 HB1 ALA 67 HB1 ALA 67 -6.729 4.652 5.358 523 HB2 ALA 67 HB2 ALA 67 -5.786 3.259 4.832 524 HB3 ALA 67 HB3 ALA 67 -4.968 4.742 5.325 525 H VAL 68 HN VAL 68 -7.087 3.771 9.090 526 HA VAL 68 HA VAL 68 -6.684 6.568 9.592 527 HB VAL 68 HB VAL 68 -8.752 5.320 10.279 528 HG11 VAL 68 HG11 VAL 68 -8.692 4.066 12.406 529 HG12 VAL 68 HG12 VAL 68 -6.931 4.158 12.380 530 HG13 VAL 68 HG13 VAL 68 -7.787 3.277 11.117 531 HG21 VAL 68 HG21 VAL 68 -9.011 6.465 12.435 532 HG22 VAL 68 HG22 VAL 68 -8.267 7.501 11.217 533 HG23 VAL 68 HG23 VAL 68 -7.273 6.764 12.474 534 H ALA 69 HN ALA 69 -4.921 3.746 10.176 535 HA ALA 69 HA ALA 69 -3.606 4.739 12.571 536 HB1 ALA 69 HB1 ALA 69 -3.202 2.182 11.031 537 HB2 ALA 69 HB2 ALA 69 -4.199 2.382 12.472 538 HB3 ALA 69 HB3 ALA 69 -2.449 2.583 12.574 539 H ILE 70 HN ILE 70 -2.941 6.608 11.055 540 HA ILE 70 HA ILE 70 -0.750 6.199 9.289 541 HB ILE 70 HB ILE 70 -1.929 8.618 10.625 542 HG12 ILE 70 HG12 ILE 70 -3.112 7.679 8.701 543 HG13 ILE 70 HG11 ILE 70 -2.455 9.267 8.321 544 HG21 ILE 70 HG21 ILE 70 -0.365 10.043 9.404 545 HG22 ILE 70 HG22 ILE 70 0.515 8.612 8.869 546 HG23 ILE 70 HG23 ILE 70 0.455 9.021 10.584 547 HD11 ILE 70 HD11 ILE 70 -2.138 7.807 6.449 548 HD12 ILE 70 HD12 ILE 70 -1.349 6.603 7.464 549 HD13 ILE 70 HD13 ILE 70 -0.565 8.155 7.168 550 H THR 71 HN THR 71 -1.096 6.823 12.706 551 HA THR 71 HA THR 71 1.553 7.384 13.389 552 HB THR 71 HB THR 71 0.891 6.330 15.625 553 HG1 THR 71 HG1 THR 71 -1.129 5.543 15.818 554 HG21 THR 71 HG21 THR 71 -0.637 8.163 16.181 555 HG22 THR 71 HG22 THR 71 -0.895 8.473 14.464 556 HG23 THR 71 HG23 THR 71 0.695 8.733 15.176 557 H SER 72 HN SER 72 -0.056 4.366 12.657 558 HA SER 72 HA SER 72 2.089 2.700 13.581 559 HB2 SER 72 HB2 SER 72 -0.265 1.916 13.522 560 HB3 SER 72 HB1 SER 72 -0.239 2.022 11.764 561 HG SER 72 HG SER 72 1.288 0.392 11.701 562 H ILE 73 HN ILE 73 1.456 4.523 10.763 563 HA ILE 73 HA ILE 73 3.026 2.906 8.975 564 HB ILE 73 HB ILE 73 2.193 5.793 8.623 565 HG12 ILE 73 HG12 ILE 73 0.223 4.318 8.945 566 HG13 ILE 73 HG11 ILE 73 0.307 4.975 7.316 567 HG21 ILE 73 HG21 ILE 73 2.493 5.288 6.216 568 HG22 ILE 73 HG22 ILE 73 3.130 3.704 6.664 569 HG23 ILE 73 HG23 ILE 73 3.988 5.167 7.146 570 HD11 ILE 73 HD11 ILE 73 -0.359 2.657 7.272 571 HD12 ILE 73 HD12 ILE 73 1.099 2.196 8.149 572 HD13 ILE 73 HD13 ILE 73 1.223 2.853 6.517 573 H VAL 74 HN VAL 74 4.954 2.685 10.137 574 HA VAL 74 HA VAL 74 6.728 5.023 9.887 575 HB VAL 74 HB VAL 74 6.882 2.914 12.059 576 HG11 VAL 74 HG11 VAL 74 8.681 4.302 12.983 577 HG12 VAL 74 HG12 VAL 74 8.573 5.366 11.579 578 HG13 VAL 74 HG13 VAL 74 9.083 3.689 11.379 579 HG21 VAL 74 HG21 VAL 74 5.043 4.468 12.453 580 HG22 VAL 74 HG22 VAL 74 6.142 5.833 12.253 581 HG23 VAL 74 HG23 VAL 74 6.347 4.730 13.612 582 H THR 75 HN THR 75 6.524 1.507 10.150 583 HA THR 75 HA THR 75 8.910 1.071 8.604 584 HB THR 75 HB THR 75 6.750 -0.903 9.383 585 HG1 THR 75 HG1 THR 75 7.439 -0.184 11.317 586 HG21 THR 75 HG21 THR 75 8.288 -1.740 7.706 587 HG22 THR 75 HG22 THR 75 8.584 -2.536 9.249 588 HG23 THR 75 HG23 THR 75 9.662 -1.257 8.695 589 H VAL 76 HN VAL 76 8.991 0.663 6.458 590 HA VAL 76 HA VAL 76 6.992 1.630 4.769 591 HB VAL 76 HB VAL 76 9.247 -0.252 4.044 592 HG11 VAL 76 HG11 VAL 76 7.559 -0.159 2.297 593 HG12 VAL 76 HG12 VAL 76 9.020 0.685 1.786 594 HG13 VAL 76 HG13 VAL 76 7.611 1.604 2.317 595 HG21 VAL 76 HG21 VAL 76 9.112 2.759 4.115 596 HG22 VAL 76 HG22 VAL 76 10.414 1.837 3.368 597 HG23 VAL 76 HG23 VAL 76 10.136 1.719 5.104 598 H ALA 77 HN ALA 77 7.711 -1.660 5.778 599 HA ALA 77 HA ALA 77 5.996 -3.063 4.092 600 HB1 ALA 77 HB1 ALA 77 6.080 -4.847 5.729 601 HB2 ALA 77 HB2 ALA 77 6.681 -3.725 6.951 602 HB3 ALA 77 HB3 ALA 77 7.674 -4.114 5.547 603 H ASP 78 HN ASP 78 5.288 -1.176 6.959 604 HA ASP 78 HA ASP 78 2.730 -2.279 7.506 605 HB2 ASP 78 HB2 ASP 78 4.186 -0.777 9.024 606 HB3 ASP 78 HB1 ASP 78 3.514 0.570 8.114 607 H LEU 79 HN LEU 79 3.793 0.589 5.725 608 HA LEU 79 HA LEU 79 1.239 1.429 4.867 609 HB2 LEU 79 HB2 LEU 79 3.196 2.898 4.813 610 HB3 LEU 79 HB1 LEU 79 3.951 1.872 3.610 611 HG LEU 79 HG LEU 79 2.140 2.437 2.020 612 HD11 LEU 79 HD11 LEU 79 0.365 2.923 3.581 613 HD12 LEU 79 HD12 LEU 79 0.657 4.324 2.552 614 HD13 LEU 79 HD13 LEU 79 1.257 4.307 4.210 615 HD21 LEU 79 HD21 LEU 79 3.568 4.821 3.191 616 HD22 LEU 79 HD22 LEU 79 2.865 4.723 1.576 617 HD23 LEU 79 HD23 LEU 79 4.233 3.696 2.007 618 H ALA 80 HN ALA 80 3.697 -0.640 3.408 619 HA ALA 80 HA ALA 80 2.450 -1.083 0.947 620 HB1 ALA 80 HB1 ALA 80 4.773 -1.695 1.417 621 HB2 ALA 80 HB2 ALA 80 3.859 -3.062 0.781 622 HB3 ALA 80 HB3 ALA 80 4.216 -2.966 2.504 623 H ARG 81 HN ARG 81 2.220 -2.884 4.001 624 HA ARG 81 HA ARG 81 0.459 -4.877 3.119 625 HB2 ARG 81 HB2 ARG 81 1.635 -5.100 5.222 626 HB3 ARG 81 HB1 ARG 81 0.836 -3.673 5.866 627 HG2 ARG 81 HG2 ARG 81 -0.121 -5.708 6.785 628 HG3 ARG 81 HG1 ARG 81 -1.308 -4.835 5.816 629 HD2 ARG 81 HD2 ARG 81 -1.444 -7.210 5.361 630 HD3 ARG 81 HD1 ARG 81 -0.862 -6.352 3.936 631 HE ARG 81 HE ARG 81 0.981 -7.743 5.773 632 HH11 ARG 81 HH11 ARG 81 -0.247 -7.146 2.546 633 HH12 ARG 81 HH12 ARG 81 0.959 -8.124 1.773 634 HH21 ARG 81 HH21 ARG 81 2.559 -9.035 4.754 635 HH22 ARG 81 HH22 ARG 81 2.552 -9.193 3.026 636 H ALA 82 HN ALA 82 -0.128 -1.636 4.371 637 HA ALA 82 HA ALA 82 -2.865 -1.822 4.859 638 HB1 ALA 82 HB1 ALA 82 -1.470 0.046 5.608 639 HB2 ALA 82 HB2 ALA 82 -2.899 0.605 4.739 640 HB3 ALA 82 HB3 ALA 82 -1.327 0.603 3.942 641 H TYR 83 HN TYR 83 -1.173 -0.897 1.869 642 HA TYR 83 HA TYR 83 -3.730 -0.665 0.505 643 HB2 TYR 83 HB2 TYR 83 -0.904 -0.066 -0.334 644 HB3 TYR 83 HB1 TYR 83 -2.243 -0.041 -1.477 645 HD1 TYR 83 HD1 TYR 83 -0.856 1.555 1.549 646 HD2 TYR 83 HD2 TYR 83 -3.806 1.767 -1.509 647 HE1 TYR 83 HE1 TYR 83 -1.387 3.857 2.229 648 HE2 TYR 83 HE2 TYR 83 -4.342 4.073 -0.839 649 HH TYR 83 HH TYR 83 -4.140 5.441 1.369 650 H ALA 84 HN ALA 84 -1.492 -3.101 1.110 651 HA ALA 84 HA ALA 84 -1.985 -4.552 -1.352 652 HB1 ALA 84 HB1 ALA 84 0.197 -4.728 -0.248 653 HB2 ALA 84 HB2 ALA 84 -0.591 -6.298 -0.399 654 HB3 ALA 84 HB3 ALA 84 -0.577 -5.464 1.154 655 H GLN 85 HN GLN 85 -3.337 -4.330 1.821 656 HA GLN 85 HA GLN 85 -4.732 -6.866 1.619 657 HB2 GLN 85 HB2 GLN 85 -5.709 -6.270 3.793 658 HB3 GLN 85 HB1 GLN 85 -3.956 -6.138 3.811 659 HG2 GLN 85 HG2 GLN 85 -4.105 -3.729 3.608 660 HG3 GLN 85 HG1 GLN 85 -5.861 -3.829 3.492 661 HE21 GLN 85 HE21 GLN 85 -7.062 -4.257 5.323 662 HE22 GLN 85 HE22 GLN 85 -6.395 -4.160 6.918 663 H GLN 86 HN GLN 86 -5.168 -4.284 -0.092 664 HA GLN 86 HA GLN 86 -7.998 -3.837 0.332 665 HB2 GLN 86 HB2 GLN 86 -6.183 -2.824 -1.860 666 HB3 GLN 86 HB1 GLN 86 -7.828 -2.287 -1.557 667 HG2 GLN 86 HG2 GLN 86 -7.111 -1.472 0.658 668 HG3 GLN 86 HG1 GLN 86 -5.456 -1.926 0.257 669 HE21 GLN 86 HE21 GLN 86 -6.518 0.680 0.900 670 HE22 GLN 86 HE22 GLN 86 -6.193 1.699 -0.466 671 H GLY 87 HN GLY 87 -9.532 -4.106 -1.482 672 HA2 GLY 87 HA2 GLY 87 -10.444 -5.299 -3.246 673 HA3 GLY 87 HA1 GLY 87 -8.855 -5.983 -3.563 674 H VAL 88 HN VAL 88 -10.671 -6.045 -0.553 675 HA VAL 88 HA VAL 88 -10.086 -8.784 -0.124 676 HB VAL 88 HB VAL 88 -11.621 -8.593 1.829 677 HG11 VAL 88 HG11 VAL 88 -10.246 -6.974 3.056 678 HG12 VAL 88 HG12 VAL 88 -9.585 -6.392 1.528 679 HG13 VAL 88 HG13 VAL 88 -9.270 -8.047 2.052 680 HG21 VAL 88 HG21 VAL 88 -11.984 -5.758 0.862 681 HG22 VAL 88 HG22 VAL 88 -12.539 -6.396 2.410 682 HG23 VAL 88 HG23 VAL 88 -13.227 -7.007 0.906 683 HA PRO 89 HA PRO 89 -13.551 -10.663 -2.243 684 HB2 PRO 89 HB2 PRO 89 -13.138 -12.942 -0.438 685 HB3 PRO 89 HB1 PRO 89 -12.990 -12.871 -2.194 686 HG2 PRO 89 HG2 PRO 89 -10.847 -13.123 -0.578 687 HG3 PRO 89 HG1 PRO 89 -10.780 -12.246 -2.116 688 HD2 PRO 89 HD2 PRO 89 -10.961 -11.176 0.671 689 HD3 PRO 89 HD1 PRO 89 -10.034 -10.569 -0.717 690 H GLY 90 HN GLY 90 -15.454 -9.791 -1.642 691 HA2 GLY 90 HA2 GLY 90 -16.288 -9.961 1.150 692 HA3 GLY 90 HA1 GLY 90 -17.021 -8.955 -0.090 693 HA PRO 91 HA PRO 91 -19.462 -12.965 0.586 694 HB2 PRO 91 HB2 PRO 91 -21.501 -11.283 1.839 695 HB3 PRO 91 HB1 PRO 91 -20.752 -12.762 2.445 696 HG2 PRO 91 HG2 PRO 91 -20.263 -10.335 3.532 697 HG3 PRO 91 HG1 PRO 91 -19.051 -11.628 3.493 698 HD2 PRO 91 HD2 PRO 91 -19.319 -9.225 1.728 699 HD3 PRO 91 HD1 PRO 91 -17.859 -9.956 2.424 700 H SER 92 HN SER 92 -21.049 -13.526 -0.845 701 HA SER 92 HA SER 92 -21.721 -11.603 -2.863 702 HB2 SER 92 HB2 SER 92 -21.211 -14.031 -3.315 703 HB3 SER 92 HB1 SER 92 -22.755 -14.432 -2.563 704 HG SER 92 HG SER 92 -22.414 -12.723 -4.808 705 HA PRO 93 HA PRO 93 -25.520 -10.541 -0.731 706 HB2 PRO 93 HB2 PRO 93 -26.129 -8.372 -2.176 707 HB3 PRO 93 HB1 PRO 93 -24.786 -8.364 -1.027 708 HG2 PRO 93 HG2 PRO 93 -24.736 -8.612 -4.002 709 HG3 PRO 93 HG1 PRO 93 -23.636 -7.727 -2.932 710 HD2 PRO 93 HD2 PRO 93 -23.136 -10.232 -4.016 711 HD3 PRO 93 HD1 PRO 93 -22.331 -9.560 -2.585 712 H ASP 94 HN ASP 94 -25.093 -11.699 -3.868 713 HA ASP 94 HA ASP 94 -28.001 -11.861 -4.279 714 HB2 ASP 94 HB2 ASP 94 -27.541 -12.007 -6.705 715 HB3 ASP 94 HB1 ASP 94 -26.995 -10.489 -6.009 716 HA PRO 95 HA PRO 95 -26.740 -16.122 -3.512 717 HB2 PRO 95 HB2 PRO 95 -29.134 -16.996 -2.634 718 HB3 PRO 95 HB1 PRO 95 -28.046 -16.042 -1.619 719 HG2 PRO 95 HG2 PRO 95 -30.461 -15.168 -3.152 720 HG3 PRO 95 HG1 PRO 95 -29.943 -14.707 -1.523 721 HD2 PRO 95 HD2 PRO 95 -29.541 -13.153 -3.734 722 HD3 PRO 95 HD1 PRO 95 -28.496 -13.110 -2.301 723 H LEU 96 HN LEU 96 -29.147 -14.879 -5.638 724 HA LEU 96 HA LEU 96 -30.119 -17.351 -6.641 725 HB2 LEU 96 HB2 LEU 96 -30.236 -14.521 -7.593 726 HB3 LEU 96 HB1 LEU 96 -30.725 -15.809 -8.671 727 HG LEU 96 HG LEU 96 -32.431 -16.513 -7.023 728 HD11 LEU 96 HD11 LEU 96 -31.587 -14.044 -5.517 729 HD12 LEU 96 HD12 LEU 96 -31.361 -15.710 -4.988 730 HD13 LEU 96 HD13 LEU 96 -32.988 -15.050 -5.153 731 HD21 LEU 96 HD21 LEU 96 -33.940 -14.618 -7.373 732 HD22 LEU 96 HD22 LEU 96 -33.028 -15.005 -8.833 733 HD23 LEU 96 HD23 LEU 96 -32.567 -13.618 -7.848 734 H ASP 97 HN ASP 97 -27.745 -15.033 -7.936 735 HA ASP 97 HA ASP 97 -27.030 -16.723 -10.124 736 HB2 ASP 97 HB2 ASP 97 -26.766 -14.271 -10.213 737 HB3 ASP 97 HB1 ASP 97 -25.544 -14.361 -8.949 738 H ALA 98 HN ALA 98 -25.984 -16.384 -6.845 739 HA ALA 98 HA ALA 98 -23.472 -17.700 -7.111 740 HB1 ALA 98 HB1 ALA 98 -23.979 -16.186 -5.251 741 HB2 ALA 98 HB2 ALA 98 -23.470 -17.776 -4.683 742 HB3 ALA 98 HB3 ALA 98 -25.177 -17.332 -4.652 743 H GLN 99 HN GLN 99 -26.709 -18.826 -7.007 744 HA GLN 99 HA GLN 99 -25.945 -21.472 -6.073 745 HB2 GLN 99 HB2 GLN 99 -28.586 -20.220 -6.771 746 HB3 GLN 99 HB1 GLN 99 -28.429 -21.952 -6.514 747 HG2 GLN 99 HG2 GLN 99 -27.716 -21.622 -4.260 748 HG3 GLN 99 HG1 GLN 99 -27.605 -19.880 -4.497 749 HE21 GLN 99 HE21 GLN 99 -29.461 -18.658 -4.557 750 HE22 GLN 99 HE22 GLN 99 -30.989 -19.255 -3.998 751 H LEU 100 HN LEU 100 -25.919 -19.847 -8.950 752 HA LEU 100 HA LEU 100 -25.665 -20.423 -11.125 753 HB2 LEU 100 HB2 LEU 100 -24.772 -22.974 -9.803 754 HB3 LEU 100 HB1 LEU 100 -24.727 -22.764 -11.539 755 HG LEU 100 HG LEU 100 -22.542 -22.336 -10.803 756 HD11 LEU 100 HD11 LEU 100 -23.823 -19.626 -11.049 757 HD12 LEU 100 HD12 LEU 100 -23.424 -20.684 -12.399 758 HD13 LEU 100 HD13 LEU 100 -22.140 -20.039 -11.376 759 HD21 LEU 100 HD21 LEU 100 -21.980 -20.776 -8.998 760 HD22 LEU 100 HD22 LEU 100 -22.962 -22.125 -8.428 761 HD23 LEU 100 HD23 LEU 100 -23.698 -20.542 -8.678 762 H ARG 101 HN ARG 101 -28.289 -20.543 -10.291 763 HA ARG 101 HA ARG 101 -29.548 -23.006 -10.983 764 HB2 ARG 101 HB2 ARG 101 -30.661 -20.204 -10.778 765 HB3 ARG 101 HB1 ARG 101 -31.639 -21.649 -10.998 766 HG2 ARG 101 HG2 ARG 101 -30.877 -22.521 -8.868 767 HG3 ARG 101 HG1 ARG 101 -29.832 -21.116 -8.650 768 HD2 ARG 101 HD2 ARG 101 -31.774 -19.657 -8.620 769 HD3 ARG 101 HD1 ARG 101 -32.834 -21.038 -8.897 770 HE ARG 101 HE ARG 101 -31.358 -21.596 -6.615 771 HH11 ARG 101 HH11 ARG 101 -33.703 -19.234 -7.675 772 HH12 ARG 101 HH12 ARG 101 -34.361 -18.982 -6.091 773 HH21 ARG 101 HH21 ARG 101 -32.196 -21.254 -4.514 774 HH22 ARG 101 HH22 ARG 101 -33.496 -20.121 -4.285 775 H ASP 102 HN ASP 102 -28.590 -20.159 -12.704 776 HA ASP 102 HA ASP 102 -30.015 -20.627 -15.104 777 HB2 ASP 102 HB2 ASP 102 -29.095 -18.439 -14.580 778 HB3 ASP 102 HB1 ASP 102 -27.462 -19.094 -14.569 779 H LEU 103 HN LEU 103 -27.185 -22.026 -13.735 780 HA LEU 103 HA LEU 103 -26.550 -23.335 -16.290 781 HB2 LEU 103 HB2 LEU 103 -24.861 -23.059 -13.803 782 HB3 LEU 103 HB1 LEU 103 -24.378 -23.904 -15.260 783 HG LEU 103 HG LEU 103 -24.902 -20.940 -15.010 784 HD11 LEU 103 HD11 LEU 103 -22.520 -20.715 -15.425 785 HD12 LEU 103 HD12 LEU 103 -22.351 -22.468 -15.499 786 HD13 LEU 103 HD13 LEU 103 -22.807 -21.691 -13.984 787 HD21 LEU 103 HD21 LEU 103 -24.094 -20.811 -17.324 788 HD22 LEU 103 HD22 LEU 103 -25.586 -21.742 -17.198 789 HD23 LEU 103 HD23 LEU 103 -24.044 -22.573 -17.395 790 H ARG 104 HN ARG 104 -28.422 -23.872 -13.741 791 HA ARG 104 HA ARG 104 -27.693 -26.636 -13.213 792 HB2 ARG 104 HB2 ARG 104 -28.595 -25.304 -11.372 793 HB3 ARG 104 HB1 ARG 104 -30.054 -24.975 -12.296 794 HG2 ARG 104 HG2 ARG 104 -30.536 -27.415 -12.290 795 HG3 ARG 104 HG1 ARG 104 -29.155 -27.635 -11.215 796 HD2 ARG 104 HD2 ARG 104 -31.151 -27.549 -9.891 797 HD3 ARG 104 HD1 ARG 104 -30.221 -26.083 -9.608 798 HE ARG 104 HE ARG 104 -32.302 -25.889 -11.620 799 HH11 ARG 104 HH11 ARG 104 -31.386 -25.383 -8.277 800 HH12 ARG 104 HH12 ARG 104 -32.696 -24.291 -7.953 801 HH21 ARG 104 HH21 ARG 104 -34.033 -24.461 -11.194 802 HH22 ARG 104 HH22 ARG 104 -34.202 -23.770 -9.606 803 H GLN 105 HN GLN 105 -30.036 -24.780 -14.997 804 HA GLN 105 HA GLN 105 -31.000 -27.213 -16.305 805 HB2 GLN 105 HB2 GLN 105 -33.327 -26.263 -16.171 806 HB3 GLN 105 HB1 GLN 105 -32.662 -26.792 -14.631 807 HG2 GLN 105 HG2 GLN 105 -32.035 -24.426 -14.168 808 HG3 GLN 105 HG1 GLN 105 -32.897 -23.968 -15.635 809 HE21 GLN 105 HE21 GLN 105 -35.120 -24.031 -15.668 810 HE22 GLN 105 HE22 GLN 105 -36.071 -24.207 -14.235 811 H LEU 106 HN LEU 106 -31.723 -26.889 -18.424 812 HA LEU 106 HA LEU 106 -30.903 -24.314 -19.574 813 HB2 LEU 106 HB2 LEU 106 -31.303 -26.985 -20.921 814 HB3 LEU 106 HB1 LEU 106 -30.764 -25.517 -21.713 815 HG LEU 106 HG LEU 106 -29.259 -27.021 -19.571 816 HD11 LEU 106 HD11 LEU 106 -29.290 -28.186 -21.704 817 HD12 LEU 106 HD12 LEU 106 -27.688 -27.536 -21.362 818 HD13 LEU 106 HD13 LEU 106 -28.740 -26.726 -22.524 819 HD21 LEU 106 HD21 LEU 106 -28.836 -24.636 -19.423 820 HD22 LEU 106 HD22 LEU 106 -28.500 -24.570 -21.152 821 HD23 LEU 106 HD23 LEU 106 -27.428 -25.471 -20.080 Start of MODEL 11 1 H GLY -4 HT1 GLY -4 5.694 -22.756 -12.342 2 HA2 GLY -4 HA1 GLY -4 4.151 -20.928 -12.561 3 HA3 GLY -4 HA2 GLY -4 3.399 -22.317 -11.790 4 H ILE -3 HN ILE -3 1.989 -20.291 -11.277 5 HA ILE -3 HA ILE -3 2.940 -18.627 -9.145 6 HB ILE -3 HB ILE -3 0.094 -19.023 -10.086 7 HG12 ILE -3 HG12 ILE -3 2.146 -16.963 -10.930 8 HG13 ILE -3 HG11 ILE -3 1.576 -18.300 -11.920 9 HG21 ILE -3 HG21 ILE -3 0.249 -17.994 -7.889 10 HG22 ILE -3 HG22 ILE -3 -0.285 -16.815 -9.086 11 HG23 ILE -3 HG23 ILE -3 1.383 -16.796 -8.512 12 HD11 ILE -3 HD11 ILE -3 0.508 -16.221 -12.557 13 HD12 ILE -3 HD12 ILE -3 -0.096 -16.009 -10.913 14 HD13 ILE -3 HD13 ILE -3 -0.673 -17.353 -11.900 15 H ASP -2 HN ASP -2 3.604 -20.195 -7.610 16 HA ASP -2 HA ASP -2 1.768 -21.974 -6.363 17 HB2 ASP -2 HB2 ASP -2 4.473 -20.898 -5.580 18 HB3 ASP -2 HB1 ASP -2 3.545 -21.922 -4.496 19 HA PRO -1 HA PRO -1 -0.711 -19.557 -3.680 20 HB2 PRO -1 HB2 PRO -1 0.491 -21.126 -1.437 21 HB3 PRO -1 HB1 PRO -1 -1.208 -20.780 -1.784 22 HG2 PRO -1 HG2 PRO -1 -0.159 -23.161 -2.351 23 HG3 PRO -1 HG1 PRO -1 -1.337 -22.403 -3.434 24 HD2 PRO -1 HD2 PRO -1 1.593 -22.739 -3.762 25 HD3 PRO -1 HD1 PRO -1 0.317 -22.658 -4.992 26 H PHE 0 HN PHE 0 2.300 -20.263 -1.867 27 HA PHE 0 HA PHE 0 2.249 -17.714 -0.585 28 HB2 PHE 0 HB2 PHE 0 3.237 -19.755 0.438 29 HB3 PHE 0 HB1 PHE 0 4.529 -19.694 -0.752 30 HD1 PHE 0 HD1 PHE 0 2.910 -17.499 1.794 31 HD2 PHE 0 HD2 PHE 0 6.501 -18.693 -0.150 32 HE1 PHE 0 HE1 PHE 0 4.196 -16.017 3.272 33 HE2 PHE 0 HE2 PHE 0 7.795 -17.208 1.328 34 HZ PHE 0 HZ PHE 0 6.638 -15.878 3.053 35 H THR 1 HN THR 1 3.759 -18.991 -3.451 36 HA THR 1 HA THR 1 5.679 -16.998 -3.869 37 HB THR 1 HB THR 1 4.184 -18.587 -5.957 38 HG1 THR 1 HG1 THR 1 6.054 -19.292 -4.046 39 HG21 THR 1 HG21 THR 1 6.932 -17.346 -5.980 40 HG22 THR 1 HG22 THR 1 5.523 -16.738 -6.846 41 HG23 THR 1 HG23 THR 1 6.215 -18.300 -7.279 42 H LEU 2 HN LEU 2 2.272 -17.256 -4.800 43 HA LEU 2 HA LEU 2 2.125 -14.900 -6.331 44 HB2 LEU 2 HB2 LEU 2 0.353 -16.552 -6.371 45 HB3 LEU 2 HB1 LEU 2 0.030 -16.302 -4.666 46 HG LEU 2 HG LEU 2 -0.717 -13.997 -5.167 47 HD11 LEU 2 HD11 LEU 2 -1.122 -13.332 -7.476 48 HD12 LEU 2 HD12 LEU 2 -0.370 -14.821 -8.046 49 HD13 LEU 2 HD13 LEU 2 0.594 -13.617 -7.190 50 HD21 LEU 2 HD21 LEU 2 -2.337 -15.809 -5.026 51 HD22 LEU 2 HD22 LEU 2 -2.114 -16.155 -6.741 52 HD23 LEU 2 HD23 LEU 2 -2.823 -14.622 -6.235 53 H ASN 3 HN ASN 3 1.705 -15.515 -2.885 54 HA ASN 3 HA ASN 3 0.923 -12.935 -2.118 55 HB2 ASN 3 HB2 ASN 3 2.381 -15.095 -0.583 56 HB3 ASN 3 HB1 ASN 3 1.816 -13.600 0.153 57 HD21 ASN 3 HD21 ASN 3 0.444 -14.706 1.541 58 HD22 ASN 3 HD22 ASN 3 -1.027 -15.435 0.995 59 H HIS 4 HN HIS 4 4.136 -14.428 -2.299 60 HA HIS 4 HA HIS 4 5.566 -12.138 -1.452 61 HB2 HIS 4 HB2 HIS 4 6.577 -14.369 -1.431 62 HB3 HIS 4 HB1 HIS 4 6.473 -14.451 -3.185 63 HD1 HIS 4 HD1 HIS 4 8.604 -13.926 -4.315 64 HD2 HIS 4 HD2 HIS 4 8.301 -11.998 -0.647 65 HE1 HIS 4 HE1 HIS 4 10.767 -12.677 -4.028 66 HE2 HIS 4 HE2 HIS 4 10.549 -11.485 -1.821 67 H GLN 5 HN GLN 5 4.571 -13.310 -4.627 68 HA GLN 5 HA GLN 5 6.030 -11.453 -6.166 69 HB2 GLN 5 HB2 GLN 5 5.073 -13.527 -7.087 70 HB3 GLN 5 HB1 GLN 5 3.454 -12.887 -6.846 71 HG2 GLN 5 HG2 GLN 5 4.119 -12.698 -9.164 72 HG3 GLN 5 HG1 GLN 5 3.919 -11.102 -8.445 73 HE21 GLN 5 HE21 GLN 5 6.182 -13.420 -9.700 74 HE22 GLN 5 HE22 GLN 5 7.526 -12.339 -9.830 75 H VAL 6 HN VAL 6 2.618 -11.424 -5.094 76 HA VAL 6 HA VAL 6 2.080 -8.905 -6.280 77 HB VAL 6 HB VAL 6 0.299 -10.539 -5.697 78 HG11 VAL 6 HG11 VAL 6 0.763 -9.623 -2.864 79 HG12 VAL 6 HG12 VAL 6 1.086 -11.236 -3.502 80 HG13 VAL 6 HG13 VAL 6 -0.571 -10.635 -3.419 81 HG21 VAL 6 HG21 VAL 6 -0.278 -8.243 -6.196 82 HG22 VAL 6 HG22 VAL 6 -0.014 -7.786 -4.513 83 HG23 VAL 6 HG23 VAL 6 -1.338 -8.874 -4.935 84 H MET 7 HN MET 7 3.194 -9.876 -3.072 85 HA MET 7 HA MET 7 2.948 -7.336 -1.854 86 HB2 MET 7 HB2 MET 7 3.258 -9.428 -0.576 87 HB3 MET 7 HB1 MET 7 4.896 -9.557 -1.203 88 HG2 MET 7 HG2 MET 7 4.889 -8.679 1.057 89 HG3 MET 7 HG1 MET 7 5.505 -7.485 -0.084 90 HE1 MET 7 HE1 MET 7 4.615 -6.743 2.869 91 HE2 MET 7 HE2 MET 7 3.707 -5.259 2.578 92 HE3 MET 7 HE3 MET 7 5.207 -5.559 1.701 93 H ASP 8 HN ASP 8 5.611 -8.921 -3.570 94 HA ASP 8 HA ASP 8 7.497 -6.849 -3.267 95 HB2 ASP 8 HB2 ASP 8 8.160 -9.076 -4.038 96 HB3 ASP 8 HB1 ASP 8 7.216 -8.866 -5.509 97 H GLN 9 HN GLN 9 5.036 -7.491 -5.718 98 HA GLN 9 HA GLN 9 5.648 -5.389 -7.466 99 HB2 GLN 9 HB2 GLN 9 4.046 -7.304 -7.868 100 HB3 GLN 9 HB1 GLN 9 2.877 -6.438 -6.880 101 HG2 GLN 9 HG2 GLN 9 2.418 -6.031 -9.195 102 HG3 GLN 9 HG1 GLN 9 3.000 -4.543 -8.451 103 HE21 GLN 9 HE21 GLN 9 3.663 -3.680 -10.402 104 HE22 GLN 9 HE22 GLN 9 5.047 -4.266 -11.257 105 H VAL 10 HN VAL 10 3.477 -5.515 -4.668 106 HA VAL 10 HA VAL 10 2.561 -2.860 -4.803 107 HB VAL 10 HB VAL 10 2.873 -4.671 -2.400 108 HG11 VAL 10 HG11 VAL 10 1.288 -3.200 -1.271 109 HG12 VAL 10 HG12 VAL 10 1.272 -2.126 -2.669 110 HG13 VAL 10 HG13 VAL 10 2.747 -2.318 -1.722 111 HG21 VAL 10 HG21 VAL 10 0.372 -4.000 -3.935 112 HG22 VAL 10 HG22 VAL 10 0.607 -5.262 -2.723 113 HG23 VAL 10 HG23 VAL 10 1.379 -5.400 -4.300 114 H PHE 11 HN PHE 11 5.203 -4.297 -2.888 115 HA PHE 11 HA PHE 11 6.056 -1.891 -1.708 116 HB2 PHE 11 HB2 PHE 11 6.711 -4.084 -0.833 117 HB3 PHE 11 HB1 PHE 11 7.646 -4.400 -2.289 118 HD1 PHE 11 HD1 PHE 11 7.373 -1.896 0.458 119 HD2 PHE 11 HD2 PHE 11 9.908 -3.959 -2.267 120 HE1 PHE 11 HE1 PHE 11 9.342 -0.854 1.504 121 HE2 PHE 11 HE2 PHE 11 11.879 -2.920 -1.223 122 HZ PHE 11 HZ PHE 11 11.595 -1.365 0.663 123 H ASP 12 HN ASP 12 6.910 -3.458 -4.734 124 HA ASP 12 HA ASP 12 9.066 -1.853 -5.509 125 HB2 ASP 12 HB2 ASP 12 8.328 -3.942 -6.656 126 HB3 ASP 12 HB1 ASP 12 6.944 -3.067 -7.296 127 H GLN 13 HN GLN 13 5.586 -1.442 -5.988 128 HA GLN 13 HA GLN 13 5.824 0.982 -7.458 129 HB2 GLN 13 HB2 GLN 13 3.842 -0.559 -7.512 130 HB3 GLN 13 HB1 GLN 13 3.425 0.012 -5.903 131 HG2 GLN 13 HG2 GLN 13 2.126 1.139 -7.623 132 HG3 GLN 13 HG1 GLN 13 3.155 2.270 -6.745 133 HE21 GLN 13 HE21 GLN 13 3.152 3.773 -8.409 134 HE22 GLN 13 HE22 GLN 13 3.998 3.519 -9.895 135 H VAL 14 HN VAL 14 5.233 0.223 -4.046 136 HA VAL 14 HA VAL 14 4.892 2.865 -3.132 137 HB VAL 14 HB VAL 14 6.099 0.515 -1.649 138 HG11 VAL 14 HG11 VAL 14 5.471 1.727 0.389 139 HG12 VAL 14 HG12 VAL 14 4.942 3.094 -0.591 140 HG13 VAL 14 HG13 VAL 14 6.644 2.631 -0.569 141 HG21 VAL 14 HG21 VAL 14 3.262 1.537 -1.745 142 HG22 VAL 14 HG22 VAL 14 3.851 0.246 -0.697 143 HG23 VAL 14 HG23 VAL 14 3.855 0.032 -2.448 144 H GLU 15 HN GLU 15 7.792 0.839 -3.397 145 HA GLU 15 HA GLU 15 9.736 2.615 -2.543 146 HB2 GLU 15 HB2 GLU 15 10.277 0.321 -3.052 147 HB3 GLU 15 HB1 GLU 15 9.809 0.531 -4.732 148 HG2 GLU 15 HG2 GLU 15 11.679 2.160 -4.970 149 HG3 GLU 15 HG1 GLU 15 12.193 1.720 -3.342 150 H HIS 16 HN HIS 16 8.304 2.256 -5.758 151 HA HIS 16 HA HIS 16 9.834 4.172 -7.099 152 HB2 HIS 16 HB2 HIS 16 8.370 2.545 -8.235 153 HB3 HIS 16 HB1 HIS 16 6.956 3.383 -7.605 154 HD1 HIS 16 HD1 HIS 16 6.106 5.361 -8.917 155 HD2 HIS 16 HD2 HIS 16 9.840 4.053 -10.203 156 HE1 HIS 16 HE1 HIS 16 6.570 6.614 -11.045 157 HE2 HIS 16 HE2 HIS 16 8.732 5.654 -11.904 158 H GLN 17 HN GLN 17 6.854 4.499 -5.214 159 HA GLN 17 HA GLN 17 6.495 7.256 -5.874 160 HB2 GLN 17 HB2 GLN 17 5.311 5.697 -3.570 161 HB3 GLN 17 HB1 GLN 17 4.762 7.263 -4.150 162 HG2 GLN 17 HG2 GLN 17 4.576 4.605 -5.536 163 HG3 GLN 17 HG1 GLN 17 3.262 5.652 -5.002 164 HE21 GLN 17 HE21 GLN 17 2.754 7.494 -6.220 165 HE22 GLN 17 HE22 GLN 17 3.312 7.691 -7.844 166 H ILE 18 HN ILE 18 8.038 5.506 -3.242 167 HA ILE 18 HA ILE 18 8.629 7.749 -1.622 168 HB ILE 18 HB ILE 18 10.118 5.128 -1.892 169 HG12 ILE 18 HG12 ILE 18 8.087 6.055 0.153 170 HG13 ILE 18 HG11 ILE 18 7.759 4.933 -1.163 171 HG21 ILE 18 HG21 ILE 18 10.315 7.238 0.258 172 HG22 ILE 18 HG22 ILE 18 11.555 6.851 -0.934 173 HG23 ILE 18 HG23 ILE 18 11.105 5.661 0.288 174 HD11 ILE 18 HD11 ILE 18 9.682 4.471 1.102 175 HD12 ILE 18 HD12 ILE 18 9.327 3.342 -0.205 176 HD13 ILE 18 HD13 ILE 18 8.069 3.776 0.951 177 H ALA 19 HN ALA 19 10.378 6.130 -4.234 178 HA ALA 19 HA ALA 19 12.688 7.698 -4.267 179 HB1 ALA 19 HB1 ALA 19 11.264 6.429 -6.607 180 HB2 ALA 19 HB2 ALA 19 12.446 5.638 -5.564 181 HB3 ALA 19 HB3 ALA 19 12.937 6.984 -6.593 182 H GLN 20 HN GLN 20 9.528 8.213 -5.762 183 HA GLN 20 HA GLN 20 10.034 10.509 -7.238 184 HB2 GLN 20 HB2 GLN 20 7.564 9.778 -5.655 185 HB3 GLN 20 HB1 GLN 20 7.639 11.099 -6.808 186 HG2 GLN 20 HG2 GLN 20 8.127 8.212 -7.490 187 HG3 GLN 20 HG1 GLN 20 6.584 9.042 -7.683 188 HE21 GLN 20 HE21 GLN 20 6.493 8.803 -9.870 189 HE22 GLN 20 HE22 GLN 20 7.558 9.620 -10.963 190 H VAL 21 HN VAL 21 9.168 10.187 -3.820 191 HA VAL 21 HA VAL 21 8.973 12.918 -3.241 192 HB VAL 21 HB VAL 21 9.772 10.696 -1.353 193 HG11 VAL 21 HG11 VAL 21 8.879 12.191 0.395 194 HG12 VAL 21 HG12 VAL 21 8.658 13.450 -0.821 195 HG13 VAL 21 HG13 VAL 21 10.279 12.878 -0.429 196 HG21 VAL 21 HG21 VAL 21 7.046 11.821 -1.997 197 HG22 VAL 21 HG22 VAL 21 7.398 10.612 -0.761 198 HG23 VAL 21 HG23 VAL 21 7.649 10.232 -2.466 199 H LEU 22 HN LEU 22 11.670 10.723 -2.408 200 HA LEU 22 HA LEU 22 13.382 12.746 -1.505 201 HB2 LEU 22 HB2 LEU 22 13.880 9.956 -2.487 202 HB3 LEU 22 HB1 LEU 22 15.215 11.003 -2.057 203 HG LEU 22 HG LEU 22 14.732 9.554 -0.205 204 HD11 LEU 22 HD11 LEU 22 15.393 11.857 0.310 205 HD12 LEU 22 HD12 LEU 22 14.364 11.158 1.561 206 HD13 LEU 22 HD13 LEU 22 13.692 12.312 0.409 207 HD21 LEU 22 HD21 LEU 22 12.419 9.004 -0.737 208 HD22 LEU 22 HD22 LEU 22 11.919 10.633 -0.279 209 HD23 LEU 22 HD23 LEU 22 12.580 9.539 0.935 210 H GLY 23 HN GLY 23 13.037 11.294 -4.710 211 HA2 GLY 23 HA2 GLY 23 15.267 12.543 -5.900 212 HA3 GLY 23 HA1 GLY 23 13.869 11.910 -6.755 213 H ALA 24 HN ALA 24 11.843 13.508 -5.823 214 HA ALA 24 HA ALA 24 12.284 15.823 -7.433 215 HB1 ALA 24 HB1 ALA 24 10.129 14.671 -7.365 216 HB2 ALA 24 HB2 ALA 24 9.974 16.376 -6.944 217 HB3 ALA 24 HB3 ALA 24 9.931 15.149 -5.679 218 H LYS 25 HN LYS 25 12.615 15.174 -4.068 219 HA LYS 25 HA LYS 25 12.342 17.902 -3.215 220 HB2 LYS 25 HB2 LYS 25 13.472 15.452 -1.866 221 HB3 LYS 25 HB1 LYS 25 13.463 17.034 -1.103 222 HG2 LYS 25 HG2 LYS 25 11.016 15.553 -2.049 223 HG3 LYS 25 HG1 LYS 25 11.596 15.605 -0.384 224 HD2 LYS 25 HD2 LYS 25 10.793 18.024 -2.002 225 HD3 LYS 25 HD1 LYS 25 9.754 17.201 -0.838 226 HE2 LYS 25 HE2 LYS 25 11.331 17.699 0.947 227 HE3 LYS 25 HE1 LYS 25 12.415 18.474 -0.207 228 HZ1 LYS 25 HZ1 LYS 25 10.732 20.129 -0.641 229 HZ2 LYS 25 HZ2 LYS 25 11.080 20.084 1.009 230 HZ3 LYS 25 HZ3 LYS 25 9.660 19.375 0.426 231 H GLY 26 HN GLY 26 14.821 16.000 -4.613 232 HA2 GLY 26 HA2 GLY 26 16.910 16.599 -5.370 233 HA3 GLY 26 HA1 GLY 26 16.561 18.247 -4.867 234 H GLY 27 HN GLY 27 16.194 15.782 -2.516 235 HA2 GLY 27 HA2 GLY 27 18.420 16.950 -1.030 236 HA3 GLY 27 HA1 GLY 27 17.132 15.961 -0.361 237 HA PRO 28 HA PRO 28 20.789 13.227 -0.660 238 HB2 PRO 28 HB2 PRO 28 20.469 12.036 1.740 239 HB3 PRO 28 HB1 PRO 28 21.262 13.603 1.559 240 HG2 PRO 28 HG2 PRO 28 18.491 12.972 2.461 241 HG3 PRO 28 HG1 PRO 28 19.606 14.217 3.047 242 HD2 PRO 28 HD2 PRO 28 17.521 14.675 1.305 243 HD3 PRO 28 HD1 PRO 28 18.955 15.706 1.451 244 H LEU 29 HN LEU 29 20.682 11.306 -1.647 245 HA LEU 29 HA LEU 29 18.111 9.970 -1.778 246 HB2 LEU 29 HB2 LEU 29 19.412 10.352 -3.832 247 HB3 LEU 29 HB1 LEU 29 20.702 9.351 -3.194 248 HG LEU 29 HG LEU 29 19.177 7.410 -3.189 249 HD11 LEU 29 HD11 LEU 29 17.043 7.580 -4.407 250 HD12 LEU 29 HD12 LEU 29 17.257 9.328 -4.502 251 HD13 LEU 29 HD13 LEU 29 17.058 8.547 -2.933 252 HD21 LEU 29 HD21 LEU 29 19.400 8.825 -5.837 253 HD22 LEU 29 HD22 LEU 29 19.127 7.100 -5.605 254 HD23 LEU 29 HD23 LEU 29 20.645 7.829 -5.087 255 H VAL 30 HN VAL 30 17.636 8.618 -0.212 256 HA VAL 30 HA VAL 30 19.734 6.998 1.022 257 HB VAL 30 HB VAL 30 17.961 6.453 2.714 258 HG11 VAL 30 HG11 VAL 30 18.577 9.380 2.316 259 HG12 VAL 30 HG12 VAL 30 19.617 8.200 3.116 260 HG13 VAL 30 HG13 VAL 30 18.061 8.630 3.827 261 HG21 VAL 30 HG21 VAL 30 15.959 7.867 2.775 262 HG22 VAL 30 HG22 VAL 30 16.003 6.868 1.323 263 HG23 VAL 30 HG23 VAL 30 16.418 8.580 1.228 264 H ALA 31 HN ALA 31 19.206 4.737 1.528 265 HA ALA 31 HA ALA 31 17.896 3.461 -0.747 266 HB1 ALA 31 HB1 ALA 31 19.615 2.258 1.421 267 HB2 ALA 31 HB2 ALA 31 20.172 2.750 -0.178 268 HB3 ALA 31 HB3 ALA 31 19.019 1.426 -0.015 269 H VAL 32 HN VAL 32 15.837 2.920 -0.540 270 HA VAL 32 HA VAL 32 14.672 2.663 2.105 271 HB VAL 32 HB VAL 32 13.421 4.012 0.557 272 HG11 VAL 32 HG11 VAL 32 14.198 3.099 -1.546 273 HG12 VAL 32 HG12 VAL 32 12.436 3.090 -1.497 274 HG13 VAL 32 HG13 VAL 32 13.334 1.593 -1.240 275 HG21 VAL 32 HG21 VAL 32 11.242 2.889 0.622 276 HG22 VAL 32 HG22 VAL 32 12.120 2.708 2.141 277 HG23 VAL 32 HG23 VAL 32 12.045 1.365 1.000 278 H GLU 33 HN GLU 33 14.309 0.824 3.085 279 HA GLU 33 HA GLU 33 14.239 -1.651 1.491 280 HB2 GLU 33 HB2 GLU 33 15.207 -1.214 4.322 281 HB3 GLU 33 HB1 GLU 33 15.028 -2.790 3.569 282 HG2 GLU 33 HG2 GLU 33 16.837 -0.613 2.548 283 HG3 GLU 33 HG1 GLU 33 17.351 -1.941 3.587 284 H ILE 34 HN ILE 34 13.057 -3.446 2.946 285 HA ILE 34 HA ILE 34 10.375 -2.581 2.994 286 HB ILE 34 HB ILE 34 10.939 -4.877 2.444 287 HG12 ILE 34 HG12 ILE 34 9.281 -6.052 3.917 288 HG13 ILE 34 HG11 ILE 34 9.213 -4.599 4.906 289 HG21 ILE 34 HG21 ILE 34 11.783 -5.151 5.320 290 HG22 ILE 34 HG22 ILE 34 12.819 -5.256 3.896 291 HG23 ILE 34 HG23 ILE 34 11.592 -6.490 4.188 292 HD11 ILE 34 HD11 ILE 34 8.374 -3.332 3.012 293 HD12 ILE 34 HD12 ILE 34 7.349 -4.727 3.343 294 HD13 ILE 34 HD13 ILE 34 8.482 -4.766 1.992 295 H ASP 35 HN ASP 35 12.706 -3.138 5.609 296 HA ASP 35 HA ASP 35 10.644 -2.457 7.575 297 HB2 ASP 35 HB2 ASP 35 13.435 -3.560 7.885 298 HB3 ASP 35 HB1 ASP 35 12.457 -3.039 9.250 299 H SER 36 HN SER 36 12.109 -0.518 5.703 300 HA SER 36 HA SER 36 13.728 1.095 7.393 301 HB2 SER 36 HB2 SER 36 12.364 1.717 4.770 302 HB3 SER 36 HB1 SER 36 13.482 2.809 5.586 303 HG SER 36 HG SER 36 15.096 1.243 5.377 304 H ARG 37 HN ARG 37 13.196 2.561 8.825 305 HA ARG 37 HA ARG 37 10.434 3.249 9.326 306 HB2 ARG 37 HB2 ARG 37 12.983 4.280 10.601 307 HB3 ARG 37 HB1 ARG 37 11.354 4.538 11.209 308 HG2 ARG 37 HG2 ARG 37 11.098 2.224 11.718 309 HG3 ARG 37 HG1 ARG 37 12.604 1.823 10.893 310 HD2 ARG 37 HD2 ARG 37 12.945 1.828 13.287 311 HD3 ARG 37 HD1 ARG 37 13.846 3.146 12.544 312 HE ARG 37 HE ARG 37 11.505 4.305 13.290 313 HH11 ARG 37 HH11 ARG 37 13.944 2.433 14.955 314 HH12 ARG 37 HH12 ARG 37 13.666 3.193 16.488 315 HH21 ARG 37 HH21 ARG 37 11.138 5.317 15.314 316 HH22 ARG 37 HH22 ARG 37 12.072 4.829 16.692 317 H PHE 38 HN PHE 38 9.426 5.009 8.598 318 HA PHE 38 HA PHE 38 10.471 6.546 6.523 319 HB2 PHE 38 HB2 PHE 38 8.079 6.935 8.303 320 HB3 PHE 38 HB1 PHE 38 8.466 8.067 7.012 321 HD1 PHE 38 HD1 PHE 38 6.896 4.994 7.864 322 HD2 PHE 38 HD2 PHE 38 8.671 7.129 4.641 323 HE1 PHE 38 HE1 PHE 38 5.736 3.532 6.265 324 HE2 PHE 38 HE2 PHE 38 7.510 5.670 3.035 325 HZ PHE 38 HZ PHE 38 6.052 3.900 3.812 326 H SER 39 HN SER 39 10.424 7.160 9.975 327 HA SER 39 HA SER 39 11.192 9.867 9.913 328 HB2 SER 39 HB2 SER 39 12.061 9.341 12.247 329 HB3 SER 39 HB1 SER 39 10.363 8.960 11.959 330 HG SER 39 HG SER 39 12.575 7.205 12.157 331 H ASP 40 HN ASP 40 13.041 6.875 9.967 332 HA ASP 40 HA ASP 40 15.583 8.219 10.080 333 HB2 ASP 40 HB2 ASP 40 14.847 5.313 9.668 334 HB3 ASP 40 HB1 ASP 40 16.499 5.902 9.822 335 H LEU 41 HN LEU 41 13.423 7.093 7.659 336 HA LEU 41 HA LEU 41 15.346 6.888 5.555 337 HB2 LEU 41 HB2 LEU 41 13.093 5.715 5.790 338 HB3 LEU 41 HB1 LEU 41 12.371 7.229 5.298 339 HG LEU 41 HG LEU 41 13.578 7.091 3.148 340 HD11 LEU 41 HD11 LEU 41 15.494 5.771 3.844 341 HD12 LEU 41 HD12 LEU 41 14.642 4.960 2.532 342 HD13 LEU 41 HD13 LEU 41 14.446 4.396 4.191 343 HD21 LEU 41 HD21 LEU 41 12.240 5.226 2.248 344 HD22 LEU 41 HD22 LEU 41 11.313 6.270 3.326 345 HD23 LEU 41 HD23 LEU 41 11.896 4.709 3.899 346 H GLY 42 HN GLY 42 13.540 9.451 7.004 347 HA2 GLY 42 HA2 GLY 42 14.376 11.702 6.631 348 HA3 GLY 42 HA1 GLY 42 14.608 11.275 4.946 349 H LEU 43 HN LEU 43 11.705 10.092 6.249 350 HA LEU 43 HA LEU 43 10.224 12.132 4.765 351 HB2 LEU 43 HB2 LEU 43 9.462 9.406 5.797 352 HB3 LEU 43 HB1 LEU 43 8.270 10.541 5.202 353 HG LEU 43 HG LEU 43 8.735 8.982 3.460 354 HD11 LEU 43 HD11 LEU 43 9.517 10.417 1.670 355 HD12 LEU 43 HD12 LEU 43 10.170 11.555 2.848 356 HD13 LEU 43 HD13 LEU 43 8.429 11.288 2.750 357 HD21 LEU 43 HD21 LEU 43 10.960 8.620 2.539 358 HD22 LEU 43 HD22 LEU 43 10.887 8.163 4.240 359 HD23 LEU 43 HD23 LEU 43 11.647 9.683 3.769 360 H SER 44 HN SER 44 9.544 13.812 5.886 361 HA SER 44 HA SER 44 9.161 13.721 8.727 362 HB2 SER 44 HB2 SER 44 8.197 15.945 6.946 363 HB3 SER 44 HB1 SER 44 8.840 16.041 8.586 364 HG SER 44 HG SER 44 10.180 15.829 6.139 365 H SER 45 HN SER 45 6.945 14.785 9.530 366 HA SER 45 HA SER 45 4.926 12.921 9.126 367 HB2 SER 45 HB2 SER 45 4.575 15.795 10.008 368 HB3 SER 45 HB1 SER 45 3.458 14.465 10.309 369 HG SER 45 HG SER 45 5.056 13.472 11.572 370 H LEU 46 HN LEU 46 5.195 16.199 7.739 371 HA LEU 46 HA LEU 46 2.883 15.989 6.130 372 HB2 LEU 46 HB2 LEU 46 5.266 17.802 6.095 373 HB3 LEU 46 HB1 LEU 46 4.120 17.843 4.772 374 HG LEU 46 HG LEU 46 3.565 19.601 6.286 375 HD11 LEU 46 HD11 LEU 46 1.686 18.357 5.293 376 HD12 LEU 46 HD12 LEU 46 1.282 19.082 6.847 377 HD13 LEU 46 HD13 LEU 46 1.611 17.355 6.743 378 HD21 LEU 46 HD21 LEU 46 3.536 17.505 8.447 379 HD22 LEU 46 HD22 LEU 46 2.970 19.164 8.641 380 HD23 LEU 46 HD23 LEU 46 4.668 18.849 8.285 381 H ASP 47 HN ASP 47 6.245 15.127 5.580 382 HA ASP 47 HA ASP 47 6.023 14.731 2.783 383 HB2 ASP 47 HB2 ASP 47 7.975 13.609 4.797 384 HB3 ASP 47 HB1 ASP 47 8.088 13.295 3.070 385 H LEU 48 HN LEU 48 5.677 12.582 5.559 386 HA LEU 48 HA LEU 48 5.190 10.219 4.111 387 HB2 LEU 48 HB2 LEU 48 5.722 10.230 6.496 388 HB3 LEU 48 HB1 LEU 48 4.216 11.056 6.845 389 HG LEU 48 HG LEU 48 2.946 9.091 6.130 390 HD11 LEU 48 HD11 LEU 48 4.456 8.229 4.436 391 HD12 LEU 48 HD12 LEU 48 4.105 6.985 5.636 392 HD13 LEU 48 HD13 LEU 48 5.649 7.835 5.674 393 HD21 LEU 48 HD21 LEU 48 3.560 7.607 7.960 394 HD22 LEU 48 HD22 LEU 48 3.637 9.294 8.470 395 HD23 LEU 48 HD23 LEU 48 5.121 8.414 8.105 396 H ALA 49 HN ALA 49 2.993 12.685 5.412 397 HA ALA 49 HA ALA 49 0.586 11.545 4.539 398 HB1 ALA 49 HB1 ALA 49 -0.369 13.776 4.780 399 HB2 ALA 49 HB2 ALA 49 1.249 14.471 4.853 400 HB3 ALA 49 HB3 ALA 49 0.693 13.398 6.137 401 H THR 50 HN THR 50 2.865 13.692 2.896 402 HA THR 50 HA THR 50 1.347 14.064 0.541 403 HB THR 50 HB THR 50 4.367 14.078 0.777 404 HG1 THR 50 HG1 THR 50 3.331 15.506 2.292 405 HG21 THR 50 HG21 THR 50 3.562 14.080 -1.528 406 HG22 THR 50 HG22 THR 50 4.247 15.650 -1.110 407 HG23 THR 50 HG23 THR 50 2.498 15.440 -1.169 408 H LEU 51 HN LEU 51 3.799 11.683 1.476 409 HA LEU 51 HA LEU 51 3.964 10.268 -0.925 410 HB2 LEU 51 HB2 LEU 51 5.529 9.914 0.897 411 HB3 LEU 51 HB1 LEU 51 4.245 9.295 1.917 412 HG LEU 51 HG LEU 51 3.988 7.365 0.386 413 HD11 LEU 51 HD11 LEU 51 6.417 8.520 -0.972 414 HD12 LEU 51 HD12 LEU 51 4.800 8.388 -1.662 415 HD13 LEU 51 HD13 LEU 51 5.719 6.932 -1.286 416 HD21 LEU 51 HD21 LEU 51 6.041 6.228 1.049 417 HD22 LEU 51 HD22 LEU 51 5.390 7.195 2.372 418 HD23 LEU 51 HD23 LEU 51 6.776 7.780 1.453 419 H ILE 52 HN ILE 52 1.701 9.984 1.770 420 HA ILE 52 HA ILE 52 0.312 7.708 0.931 421 HB ILE 52 HB ILE 52 -0.827 10.113 2.364 422 HG12 ILE 52 HG12 ILE 52 1.072 9.222 3.577 423 HG13 ILE 52 HG11 ILE 52 -0.414 8.801 4.422 424 HG21 ILE 52 HG21 ILE 52 -2.572 8.683 1.452 425 HG22 ILE 52 HG22 ILE 52 -2.521 8.562 3.211 426 HG23 ILE 52 HG23 ILE 52 -1.834 7.276 2.218 427 HD11 ILE 52 HD11 ILE 52 1.102 6.936 4.428 428 HD12 ILE 52 HD12 ILE 52 1.227 6.991 2.670 429 HD13 ILE 52 HD13 ILE 52 -0.302 6.556 3.433 430 H SER 53 HN SER 53 -0.144 11.121 0.102 431 HA SER 53 HA SER 53 -2.446 10.760 -1.496 432 HB2 SER 53 HB2 SER 53 -1.693 12.956 -0.583 433 HB3 SER 53 HB1 SER 53 -0.345 12.932 -1.718 434 HG SER 53 HG SER 53 -2.965 13.582 -2.129 435 H ASN 54 HN ASN 54 1.012 10.794 -2.235 436 HA ASN 54 HA ASN 54 0.739 10.603 -5.047 437 HB2 ASN 54 HB2 ASN 54 3.029 9.906 -3.206 438 HB3 ASN 54 HB1 ASN 54 3.141 9.809 -4.959 439 HD21 ASN 54 HD21 ASN 54 4.768 11.365 -5.001 440 HD22 ASN 54 HD22 ASN 54 4.444 13.041 -4.735 441 H LEU 55 HN LEU 55 0.831 8.214 -2.487 442 HA LEU 55 HA LEU 55 0.990 5.999 -4.334 443 HB2 LEU 55 HB2 LEU 55 1.945 5.975 -2.014 444 HB3 LEU 55 HB1 LEU 55 0.306 5.971 -1.396 445 HG LEU 55 HG LEU 55 -0.103 3.798 -2.458 446 HD11 LEU 55 HD11 LEU 55 1.341 3.926 -4.371 447 HD12 LEU 55 HD12 LEU 55 1.844 2.554 -3.386 448 HD13 LEU 55 HD13 LEU 55 2.767 4.055 -3.342 449 HD21 LEU 55 HD21 LEU 55 1.321 2.465 -1.009 450 HD22 LEU 55 HD22 LEU 55 0.752 3.905 -0.163 451 HD23 LEU 55 HD23 LEU 55 2.403 3.840 -0.782 452 H GLU 56 HN GLU 56 -1.459 7.726 -2.528 453 HA GLU 56 HA GLU 56 -3.676 6.088 -2.977 454 HB2 GLU 56 HB2 GLU 56 -3.735 8.011 -1.470 455 HB3 GLU 56 HB1 GLU 56 -3.507 9.105 -2.825 456 HG2 GLU 56 HG2 GLU 56 -5.682 8.245 -3.744 457 HG3 GLU 56 HG1 GLU 56 -5.911 7.419 -2.203 458 H ALA 57 HN ALA 57 -2.127 8.508 -5.011 459 HA ALA 57 HA ALA 57 -4.097 8.534 -7.052 460 HB1 ALA 57 HB1 ALA 57 -1.183 9.289 -7.217 461 HB2 ALA 57 HB2 ALA 57 -2.499 10.358 -6.730 462 HB3 ALA 57 HB3 ALA 57 -2.441 9.726 -8.375 463 H VAL 58 HN VAL 58 -2.118 6.073 -6.136 464 HA VAL 58 HA VAL 58 -1.769 5.015 -8.845 465 HB VAL 58 HB VAL 58 -0.739 3.938 -6.213 466 HG11 VAL 58 HG11 VAL 58 -0.118 3.097 -9.043 467 HG12 VAL 58 HG12 VAL 58 -1.061 2.179 -7.868 468 HG13 VAL 58 HG13 VAL 58 0.655 2.473 -7.586 469 HG21 VAL 58 HG21 VAL 58 0.687 5.444 -8.403 470 HG22 VAL 58 HG22 VAL 58 1.453 4.725 -6.987 471 HG23 VAL 58 HG23 VAL 58 0.310 6.055 -6.793 472 H TYR 59 HN TYR 59 -3.014 3.955 -5.665 473 HA TYR 59 HA TYR 59 -4.322 1.701 -6.953 474 HB2 TYR 59 HB2 TYR 59 -4.004 2.458 -4.050 475 HB3 TYR 59 HB1 TYR 59 -4.911 1.050 -4.594 476 HD1 TYR 59 HD1 TYR 59 -3.797 -0.941 -5.282 477 HD2 TYR 59 HD2 TYR 59 -1.544 2.563 -4.431 478 HE1 TYR 59 HE1 TYR 59 -1.727 -2.266 -5.329 479 HE2 TYR 59 HE2 TYR 59 0.530 1.246 -4.479 480 HH TYR 59 HH TYR 59 1.235 -1.096 -4.177 481 H GLY 60 HN GLY 60 -5.134 4.825 -5.794 482 HA2 GLY 60 HA2 GLY 60 -7.092 6.007 -6.007 483 HA3 GLY 60 HA1 GLY 60 -7.772 4.628 -6.852 484 H THR 61 HN THR 61 -6.445 4.286 -3.652 485 HA THR 61 HA THR 61 -9.165 4.085 -2.568 486 HB THR 61 HB THR 61 -8.340 2.074 -1.258 487 HG1 THR 61 HG1 THR 61 -6.300 1.632 -1.519 488 HG21 THR 61 HG21 THR 61 -8.523 1.831 -4.263 489 HG22 THR 61 HG22 THR 61 -9.877 1.830 -3.132 490 HG23 THR 61 HG23 THR 61 -8.713 0.507 -3.114 491 H ASP 62 HN ASP 62 -9.415 4.613 -0.411 492 HA ASP 62 HA ASP 62 -7.086 5.201 1.207 493 HB2 ASP 62 HB2 ASP 62 -7.736 7.508 1.705 494 HB3 ASP 62 HB1 ASP 62 -7.406 7.305 -0.008 495 HA PRO 63 HA PRO 63 -10.449 3.847 3.949 496 HB2 PRO 63 HB2 PRO 63 -9.290 1.565 4.820 497 HB3 PRO 63 HB1 PRO 63 -10.223 1.641 3.322 498 HG2 PRO 63 HG2 PRO 63 -7.327 1.352 3.702 499 HG3 PRO 63 HG1 PRO 63 -8.313 0.988 2.279 500 HD2 PRO 63 HD2 PRO 63 -6.695 3.328 2.802 501 HD3 PRO 63 HD1 PRO 63 -7.593 2.912 1.329 502 H PHE 64 HN PHE 64 -10.341 5.094 5.737 503 HA PHE 64 HA PHE 64 -7.778 5.225 7.161 504 HB2 PHE 64 HB2 PHE 64 -10.066 7.180 7.011 505 HB3 PHE 64 HB1 PHE 64 -8.746 7.339 8.167 506 HD1 PHE 64 HD1 PHE 64 -6.393 7.524 7.286 507 HD2 PHE 64 HD2 PHE 64 -9.823 7.930 4.802 508 HE1 PHE 64 HE1 PHE 64 -5.023 8.650 5.584 509 HE2 PHE 64 HE2 PHE 64 -8.456 9.056 3.096 510 HZ PHE 64 HZ PHE 64 -6.054 9.416 3.485 511 H ALA 65 HN ALA 65 -10.385 3.428 7.390 512 HA ALA 65 HA ALA 65 -11.203 3.634 10.066 513 HB1 ALA 65 HB1 ALA 65 -12.364 2.217 8.461 514 HB2 ALA 65 HB2 ALA 65 -11.861 1.276 9.866 515 HB3 ALA 65 HB3 ALA 65 -10.958 1.159 8.357 516 H ASP 66 HN ASP 66 -8.665 1.584 8.623 517 HA ASP 66 HA ASP 66 -7.566 1.057 11.273 518 HB2 ASP 66 HB2 ASP 66 -6.721 0.037 8.551 519 HB3 ASP 66 HB1 ASP 66 -5.989 -0.445 10.076 520 H ALA 67 HN ALA 67 -7.101 3.199 8.667 521 HA ALA 67 HA ALA 67 -4.321 3.740 9.457 522 HB1 ALA 67 HB1 ALA 67 -4.047 4.795 7.284 523 HB2 ALA 67 HB2 ALA 67 -5.748 4.510 6.916 524 HB3 ALA 67 HB3 ALA 67 -4.646 3.146 7.108 525 H VAL 68 HN VAL 68 -6.710 4.709 10.875 526 HA VAL 68 HA VAL 68 -7.179 7.426 10.319 527 HB VAL 68 HB VAL 68 -8.694 6.134 11.745 528 HG11 VAL 68 HG11 VAL 68 -6.428 6.150 13.731 529 HG12 VAL 68 HG12 VAL 68 -7.195 4.744 12.992 530 HG13 VAL 68 HG13 VAL 68 -8.095 5.741 14.132 531 HG21 VAL 68 HG21 VAL 68 -7.487 8.493 13.183 532 HG22 VAL 68 HG22 VAL 68 -9.095 7.825 13.461 533 HG23 VAL 68 HG23 VAL 68 -8.704 8.567 11.910 534 H ALA 69 HN ALA 69 -4.705 5.819 12.224 535 HA ALA 69 HA ALA 69 -3.564 8.439 12.898 536 HB1 ALA 69 HB1 ALA 69 -2.241 7.267 14.582 537 HB2 ALA 69 HB2 ALA 69 -2.937 5.730 14.067 538 HB3 ALA 69 HB3 ALA 69 -3.964 6.960 14.803 539 H ILE 70 HN ILE 70 -2.393 9.024 11.147 540 HA ILE 70 HA ILE 70 -0.914 7.234 9.528 541 HB ILE 70 HB ILE 70 -1.696 9.441 8.736 542 HG12 ILE 70 HG12 ILE 70 0.375 10.096 7.528 543 HG13 ILE 70 HG11 ILE 70 1.298 9.037 8.589 544 HG21 ILE 70 HG21 ILE 70 -1.299 10.783 10.695 545 HG22 ILE 70 HG22 ILE 70 -0.423 11.469 9.327 546 HG23 ILE 70 HG23 ILE 70 0.441 10.539 10.551 547 HD11 ILE 70 HD11 ILE 70 0.846 8.014 6.421 548 HD12 ILE 70 HD12 ILE 70 -0.887 8.156 6.717 549 HD13 ILE 70 HD13 ILE 70 0.099 7.111 7.739 550 H THR 71 HN THR 71 -0.268 8.771 12.526 551 HA THR 71 HA THR 71 2.574 8.703 12.440 552 HB THR 71 HB THR 71 2.321 8.882 14.973 553 HG1 THR 71 HG1 THR 71 0.386 8.476 15.709 554 HG21 THR 71 HG21 THR 71 2.645 10.839 13.543 555 HG22 THR 71 HG22 THR 71 1.520 11.206 14.851 556 HG23 THR 71 HG23 THR 71 0.912 10.906 13.224 557 H SER 72 HN SER 72 0.234 6.261 12.755 558 HA SER 72 HA SER 72 1.827 4.465 14.343 559 HB2 SER 72 HB2 SER 72 -0.631 3.932 12.658 560 HB3 SER 72 HB1 SER 72 0.085 2.811 13.816 561 HG SER 72 HG SER 72 -0.256 4.989 15.170 562 H ILE 73 HN ILE 73 1.864 5.473 11.134 563 HA ILE 73 HA ILE 73 2.882 2.991 10.031 564 HB ILE 73 HB ILE 73 2.842 5.757 8.798 565 HG12 ILE 73 HG12 ILE 73 0.573 4.947 9.337 566 HG13 ILE 73 HG11 ILE 73 0.843 5.032 7.600 567 HG21 ILE 73 HG21 ILE 73 4.469 4.269 7.765 568 HG22 ILE 73 HG22 ILE 73 3.120 4.580 6.673 569 HG23 ILE 73 HG23 ILE 73 3.220 3.045 7.535 570 HD11 ILE 73 HD11 ILE 73 1.216 2.616 7.549 571 HD12 ILE 73 HD12 ILE 73 -0.374 3.027 8.191 572 HD13 ILE 73 HD13 ILE 73 0.920 2.541 9.286 573 H VAL 74 HN VAL 74 4.731 2.541 11.210 574 HA VAL 74 HA VAL 74 6.777 4.595 11.467 575 HB VAL 74 HB VAL 74 6.822 1.738 12.459 576 HG11 VAL 74 HG11 VAL 74 8.639 2.508 13.912 577 HG12 VAL 74 HG12 VAL 74 8.575 4.093 13.144 578 HG13 VAL 74 HG13 VAL 74 9.049 2.677 12.206 579 HG21 VAL 74 HG21 VAL 74 6.296 2.688 14.657 580 HG22 VAL 74 HG22 VAL 74 5.009 2.991 13.491 581 HG23 VAL 74 HG23 VAL 74 6.128 4.283 13.924 582 H THR 75 HN THR 75 6.518 1.290 10.160 583 HA THR 75 HA THR 75 8.937 1.803 8.580 584 HB THR 75 HB THR 75 8.947 -0.665 8.200 585 HG1 THR 75 HG1 THR 75 7.546 -1.920 9.530 586 HG21 THR 75 HG21 THR 75 10.300 0.299 9.985 587 HG22 THR 75 HG22 THR 75 9.657 -1.267 10.478 588 HG23 THR 75 HG23 THR 75 8.927 0.217 11.089 589 H VAL 76 HN VAL 76 8.971 1.031 6.352 590 HA VAL 76 HA VAL 76 6.726 1.876 4.856 591 HB VAL 76 HB VAL 76 9.025 0.151 3.901 592 HG11 VAL 76 HG11 VAL 76 7.098 1.918 2.399 593 HG12 VAL 76 HG12 VAL 76 7.177 0.157 2.340 594 HG13 VAL 76 HG13 VAL 76 8.505 1.122 1.694 595 HG21 VAL 76 HG21 VAL 76 9.910 2.166 4.901 596 HG22 VAL 76 HG22 VAL 76 8.760 3.156 4.001 597 HG23 VAL 76 HG23 VAL 76 10.034 2.284 3.147 598 H ALA 77 HN ALA 77 7.785 -1.204 6.065 599 HA ALA 77 HA ALA 77 6.374 -3.000 4.524 600 HB1 ALA 77 HB1 ALA 77 8.029 -3.605 6.245 601 HB2 ALA 77 HB2 ALA 77 6.535 -4.532 6.384 602 HB3 ALA 77 HB3 ALA 77 6.852 -3.197 7.492 603 H ASP 78 HN ASP 78 5.252 -1.284 7.432 604 HA ASP 78 HA ASP 78 2.777 -2.612 7.629 605 HB2 ASP 78 HB2 ASP 78 3.875 -1.234 9.434 606 HB3 ASP 78 HB1 ASP 78 3.359 0.204 8.560 607 H LEU 79 HN LEU 79 3.733 0.361 5.993 608 HA LEU 79 HA LEU 79 1.111 1.066 5.135 609 HB2 LEU 79 HB2 LEU 79 2.960 2.686 5.315 610 HB3 LEU 79 HB1 LEU 79 3.794 1.872 4.006 611 HG LEU 79 HG LEU 79 1.921 2.464 2.487 612 HD11 LEU 79 HD11 LEU 79 0.941 4.028 4.869 613 HD12 LEU 79 HD12 LEU 79 0.131 2.663 4.100 614 HD13 LEU 79 HD13 LEU 79 0.322 4.184 3.226 615 HD21 LEU 79 HD21 LEU 79 3.206 4.795 3.905 616 HD22 LEU 79 HD22 LEU 79 2.495 4.827 2.292 617 HD23 LEU 79 HD23 LEU 79 3.930 3.851 2.603 618 H ALA 80 HN ALA 80 3.798 -0.701 3.681 619 HA ALA 80 HA ALA 80 2.712 -1.023 1.112 620 HB1 ALA 80 HB1 ALA 80 4.593 -2.862 2.590 621 HB2 ALA 80 HB2 ALA 80 5.064 -1.457 1.635 622 HB3 ALA 80 HB3 ALA 80 4.312 -2.845 0.849 623 H ARG 81 HN ARG 81 2.484 -3.041 4.020 624 HA ARG 81 HA ARG 81 1.025 -5.172 2.963 625 HB2 ARG 81 HB2 ARG 81 0.940 -3.952 5.725 626 HB3 ARG 81 HB1 ARG 81 0.149 -5.462 5.302 627 HG2 ARG 81 HG2 ARG 81 2.328 -6.426 4.718 628 HG3 ARG 81 HG1 ARG 81 3.108 -4.914 5.190 629 HD2 ARG 81 HD2 ARG 81 3.233 -6.554 6.990 630 HD3 ARG 81 HD1 ARG 81 2.242 -5.174 7.462 631 HE ARG 81 HE ARG 81 1.012 -7.660 6.472 632 HH11 ARG 81 HH11 ARG 81 1.400 -5.260 9.002 633 HH12 ARG 81 HH12 ARG 81 0.020 -5.812 9.895 634 HH21 ARG 81 HH21 ARG 81 -0.776 -8.387 7.665 635 HH22 ARG 81 HH22 ARG 81 -1.208 -7.590 9.149 636 H ALA 82 HN ALA 82 -0.075 -2.064 4.220 637 HA ALA 82 HA ALA 82 -2.824 -2.559 4.237 638 HB1 ALA 82 HB1 ALA 82 -3.106 -0.144 4.217 639 HB2 ALA 82 HB2 ALA 82 -1.429 0.062 3.713 640 HB3 ALA 82 HB3 ALA 82 -1.796 -0.608 5.301 641 H TYR 83 HN TYR 83 -0.783 -1.177 1.672 642 HA TYR 83 HA TYR 83 -3.018 -1.037 -0.135 643 HB2 TYR 83 HB2 TYR 83 -0.115 -0.327 -0.335 644 HB3 TYR 83 HB1 TYR 83 -1.120 -0.392 -1.780 645 HD1 TYR 83 HD1 TYR 83 -0.498 1.349 1.368 646 HD2 TYR 83 HD2 TYR 83 -2.872 1.263 -2.155 647 HE1 TYR 83 HE1 TYR 83 -1.282 3.627 1.857 648 HE2 TYR 83 HE2 TYR 83 -3.668 3.544 -1.679 649 HH TYR 83 HH TYR 83 -2.228 5.530 0.715 650 H ALA 84 HN ALA 84 -0.896 -3.476 0.785 651 HA ALA 84 HA ALA 84 -0.874 -4.891 -1.709 652 HB1 ALA 84 HB1 ALA 84 0.888 -5.240 -0.040 653 HB2 ALA 84 HB2 ALA 84 0.060 -6.747 -0.434 654 HB3 ALA 84 HB3 ALA 84 -0.306 -5.908 1.072 655 H GLN 85 HN GLN 85 -2.802 -4.940 1.233 656 HA GLN 85 HA GLN 85 -4.413 -7.154 0.390 657 HB2 GLN 85 HB2 GLN 85 -5.014 -5.072 2.499 658 HB3 GLN 85 HB1 GLN 85 -5.818 -6.624 2.309 659 HG2 GLN 85 HG2 GLN 85 -2.972 -6.124 3.138 660 HG3 GLN 85 HG1 GLN 85 -4.275 -6.804 4.111 661 HE21 GLN 85 HE21 GLN 85 -4.931 -8.936 3.740 662 HE22 GLN 85 HE22 GLN 85 -3.944 -10.052 2.857 663 H GLN 86 HN GLN 86 -4.483 -3.713 0.006 664 HA GLN 86 HA GLN 86 -7.172 -3.528 -0.934 665 HB2 GLN 86 HB2 GLN 86 -4.796 -1.682 -1.137 666 HB3 GLN 86 HB1 GLN 86 -6.366 -1.289 -1.823 667 HG2 GLN 86 HG2 GLN 86 -7.391 -1.331 0.340 668 HG3 GLN 86 HG1 GLN 86 -5.905 -1.926 1.080 669 HE21 GLN 86 HE21 GLN 86 -4.225 -0.524 1.448 670 HE22 GLN 86 HE22 GLN 86 -4.398 1.195 1.336 671 H GLY 87 HN GLY 87 -7.709 -2.830 -3.158 672 HA2 GLY 87 HA2 GLY 87 -7.082 -2.855 -5.511 673 HA3 GLY 87 HA1 GLY 87 -5.985 -4.180 -5.140 674 H VAL 88 HN VAL 88 -9.174 -3.959 -3.794 675 HA VAL 88 HA VAL 88 -9.851 -6.493 -5.053 676 HB VAL 88 HB VAL 88 -10.158 -6.431 -2.674 677 HG11 VAL 88 HG11 VAL 88 -11.755 -4.898 -1.586 678 HG12 VAL 88 HG12 VAL 88 -11.950 -4.051 -3.121 679 HG13 VAL 88 HG13 VAL 88 -10.384 -4.055 -2.309 680 HG21 VAL 88 HG21 VAL 88 -12.807 -6.344 -4.095 681 HG22 VAL 88 HG22 VAL 88 -12.557 -6.970 -2.467 682 HG23 VAL 88 HG23 VAL 88 -11.783 -7.757 -3.841 683 HA PRO 89 HA PRO 89 -12.468 -4.606 -8.110 684 HB2 PRO 89 HB2 PRO 89 -14.072 -6.811 -8.521 685 HB3 PRO 89 HB1 PRO 89 -12.500 -6.562 -9.284 686 HG2 PRO 89 HG2 PRO 89 -13.201 -8.190 -6.876 687 HG3 PRO 89 HG1 PRO 89 -12.084 -8.570 -8.199 688 HD2 PRO 89 HD2 PRO 89 -11.191 -7.717 -5.818 689 HD3 PRO 89 HD1 PRO 89 -10.402 -7.227 -7.332 690 H GLY 90 HN GLY 90 -13.808 -3.118 -7.296 691 HA2 GLY 90 HA2 GLY 90 -15.931 -2.357 -6.683 692 HA3 GLY 90 HA1 GLY 90 -16.344 -3.984 -6.165 693 HA PRO 91 HA PRO 91 -14.246 -1.143 -2.727 694 HB2 PRO 91 HB2 PRO 91 -16.337 0.550 -2.078 695 HB3 PRO 91 HB1 PRO 91 -14.931 1.006 -3.042 696 HG2 PRO 91 HG2 PRO 91 -17.670 0.228 -3.933 697 HG3 PRO 91 HG1 PRO 91 -16.583 1.464 -4.591 698 HD2 PRO 91 HD2 PRO 91 -16.922 -0.917 -5.791 699 HD3 PRO 91 HD1 PRO 91 -15.355 -0.082 -5.798 700 H SER 92 HN SER 92 -14.380 -2.384 -0.979 701 HA SER 92 HA SER 92 -16.701 -3.997 -0.495 702 HB2 SER 92 HB2 SER 92 -15.316 -4.872 1.412 703 HB3 SER 92 HB1 SER 92 -14.532 -4.990 -0.163 704 HG SER 92 HG SER 92 -14.115 -2.869 1.681 705 HA PRO 93 HA PRO 93 -18.611 -0.999 2.278 706 HB2 PRO 93 HB2 PRO 93 -20.446 -3.259 2.755 707 HB3 PRO 93 HB1 PRO 93 -20.805 -1.629 2.181 708 HG2 PRO 93 HG2 PRO 93 -20.932 -3.756 0.550 709 HG3 PRO 93 HG1 PRO 93 -20.389 -2.170 -0.023 710 HD2 PRO 93 HD2 PRO 93 -18.776 -4.588 0.671 711 HD3 PRO 93 HD1 PRO 93 -18.555 -3.423 -0.651 712 H ASP 94 HN ASP 94 -17.937 -4.381 2.902 713 HA ASP 94 HA ASP 94 -17.129 -5.515 4.674 714 HB2 ASP 94 HB2 ASP 94 -15.440 -3.704 4.754 715 HB3 ASP 94 HB1 ASP 94 -16.482 -2.809 5.857 716 HA PRO 95 HA PRO 95 -20.978 -5.548 6.870 717 HB2 PRO 95 HB2 PRO 95 -20.611 -7.953 8.096 718 HB3 PRO 95 HB1 PRO 95 -21.100 -7.783 6.408 719 HG2 PRO 95 HG2 PRO 95 -18.385 -8.317 7.551 720 HG3 PRO 95 HG1 PRO 95 -19.171 -9.051 6.141 721 HD2 PRO 95 HD2 PRO 95 -17.319 -7.101 5.907 722 HD3 PRO 95 HD1 PRO 95 -18.675 -7.259 4.772 723 H LEU 96 HN LEU 96 -17.851 -5.549 8.265 724 HA LEU 96 HA LEU 96 -18.834 -5.433 11.002 725 HB2 LEU 96 HB2 LEU 96 -16.019 -4.914 10.051 726 HB3 LEU 96 HB1 LEU 96 -16.538 -5.373 11.659 727 HG LEU 96 HG LEU 96 -16.694 -7.170 9.237 728 HD11 LEU 96 HD11 LEU 96 -14.702 -7.129 11.496 729 HD12 LEU 96 HD12 LEU 96 -14.382 -6.692 9.818 730 HD13 LEU 96 HD13 LEU 96 -14.802 -8.354 10.232 731 HD21 LEU 96 HD21 LEU 96 -16.982 -8.935 10.989 732 HD22 LEU 96 HD22 LEU 96 -18.339 -7.826 10.831 733 HD23 LEU 96 HD23 LEU 96 -17.203 -7.643 12.167 734 H ASP 97 HN ASP 97 -17.332 -3.367 8.580 735 HA ASP 97 HA ASP 97 -17.239 -0.990 10.093 736 HB2 ASP 97 HB2 ASP 97 -15.984 -1.268 8.009 737 HB3 ASP 97 HB1 ASP 97 -17.487 -1.382 7.101 738 H ALA 98 HN ALA 98 -19.720 -2.426 8.066 739 HA ALA 98 HA ALA 98 -21.469 -0.175 8.121 740 HB1 ALA 98 HB1 ALA 98 -22.066 -3.048 7.442 741 HB2 ALA 98 HB2 ALA 98 -21.509 -1.813 6.312 742 HB3 ALA 98 HB3 ALA 98 -23.089 -1.659 7.079 743 H GLN 99 HN GLN 99 -20.621 -2.187 10.588 744 HA GLN 99 HA GLN 99 -23.251 -2.523 11.751 745 HB2 GLN 99 HB2 GLN 99 -20.480 -3.158 12.735 746 HB3 GLN 99 HB1 GLN 99 -21.902 -3.346 13.750 747 HG2 GLN 99 HG2 GLN 99 -22.829 -4.945 12.171 748 HG3 GLN 99 HG1 GLN 99 -21.423 -4.739 11.129 749 HE21 GLN 99 HE21 GLN 99 -21.243 -4.794 14.613 750 HE22 GLN 99 HE22 GLN 99 -20.413 -6.306 14.739 751 H LEU 100 HN LEU 100 -21.525 0.154 11.362 752 HA LEU 100 HA LEU 100 -21.264 1.256 13.923 753 HB2 LEU 100 HB2 LEU 100 -21.088 3.390 12.905 754 HB3 LEU 100 HB1 LEU 100 -20.323 2.246 11.824 755 HG LEU 100 HG LEU 100 -23.151 3.186 11.389 756 HD11 LEU 100 HD11 LEU 100 -20.617 4.412 10.313 757 HD12 LEU 100 HD12 LEU 100 -21.703 5.147 11.491 758 HD13 LEU 100 HD13 LEU 100 -22.262 4.846 9.847 759 HD21 LEU 100 HD21 LEU 100 -22.680 2.553 9.073 760 HD22 LEU 100 HD22 LEU 100 -22.467 1.187 10.167 761 HD23 LEU 100 HD23 LEU 100 -21.058 2.042 9.539 762 H ARG 101 HN ARG 101 -22.693 1.925 15.370 763 HA ARG 101 HA ARG 101 -25.515 1.834 14.630 764 HB2 ARG 101 HB2 ARG 101 -24.597 0.488 16.556 765 HB3 ARG 101 HB1 ARG 101 -24.300 2.005 17.392 766 HG2 ARG 101 HG2 ARG 101 -26.387 0.842 18.065 767 HG3 ARG 101 HG1 ARG 101 -26.626 2.492 17.491 768 HD2 ARG 101 HD2 ARG 101 -28.294 0.830 16.637 769 HD3 ARG 101 HD1 ARG 101 -27.436 1.728 15.387 770 HE ARG 101 HE ARG 101 -26.378 -0.891 16.112 771 HH11 ARG 101 HH11 ARG 101 -28.277 1.033 13.881 772 HH12 ARG 101 HH12 ARG 101 -28.142 -0.114 12.585 773 HH21 ARG 101 HH21 ARG 101 -26.189 -2.394 14.407 774 HH22 ARG 101 HH22 ARG 101 -26.947 -2.064 12.882 775 H ASP 102 HN ASP 102 -23.096 4.032 14.877 776 HA ASP 102 HA ASP 102 -24.154 6.289 16.079 777 HB2 ASP 102 HB2 ASP 102 -21.880 6.220 15.188 778 HB3 ASP 102 HB1 ASP 102 -22.503 6.091 13.547 779 H LEU 103 HN LEU 103 -24.739 4.954 12.890 780 HA LEU 103 HA LEU 103 -26.845 6.936 12.428 781 HB2 LEU 103 HB2 LEU 103 -25.608 4.921 10.548 782 HB3 LEU 103 HB1 LEU 103 -26.857 6.071 10.115 783 HG LEU 103 HG LEU 103 -24.059 6.785 10.998 784 HD11 LEU 103 HD11 LEU 103 -23.761 7.490 8.667 785 HD12 LEU 103 HD12 LEU 103 -25.356 6.845 8.279 786 HD13 LEU 103 HD13 LEU 103 -24.070 5.759 8.803 787 HD21 LEU 103 HD21 LEU 103 -24.676 9.057 10.287 788 HD22 LEU 103 HD22 LEU 103 -25.658 8.494 11.638 789 HD23 LEU 103 HD23 LEU 103 -26.329 8.508 10.008 790 H ARG 104 HN ARG 104 -28.892 6.378 12.789 791 HA ARG 104 HA ARG 104 -30.780 5.180 13.171 792 HB2 ARG 104 HB2 ARG 104 -29.344 3.009 11.636 793 HB3 ARG 104 HB1 ARG 104 -31.042 2.972 12.083 794 HG2 ARG 104 HG2 ARG 104 -31.417 4.999 10.739 795 HG3 ARG 104 HG1 ARG 104 -29.723 4.958 10.249 796 HD2 ARG 104 HD2 ARG 104 -31.196 3.967 8.557 797 HD3 ARG 104 HD1 ARG 104 -30.046 2.798 9.205 798 HE ARG 104 HE ARG 104 -32.505 2.710 10.627 799 HH11 ARG 104 HH11 ARG 104 -31.006 1.748 7.618 800 HH12 ARG 104 HH12 ARG 104 -32.053 0.388 7.381 801 HH21 ARG 104 HH21 ARG 104 -33.882 0.912 10.332 802 HH22 ARG 104 HH22 ARG 104 -33.691 -0.094 8.934 803 H GLN 105 HN GLN 105 -29.941 5.362 15.396 804 HA GLN 105 HA GLN 105 -29.099 2.780 16.521 805 HB2 GLN 105 HB2 GLN 105 -28.411 4.036 18.500 806 HB3 GLN 105 HB1 GLN 105 -27.648 4.682 17.054 807 HG2 GLN 105 HG2 GLN 105 -29.122 6.551 17.021 808 HG3 GLN 105 HG1 GLN 105 -30.114 5.859 18.305 809 HE21 GLN 105 HE21 GLN 105 -29.345 5.865 20.415 810 HE22 GLN 105 HE22 GLN 105 -28.055 6.900 20.912 811 H LEU 106 HN LEU 106 -31.788 4.800 16.188 812 HA LEU 106 HA LEU 106 -33.027 3.915 18.677 813 HB2 LEU 106 HB2 LEU 106 -34.089 5.783 16.553 814 HB3 LEU 106 HB1 LEU 106 -34.823 5.474 18.114 815 HG LEU 106 HG LEU 106 -32.157 6.820 17.663 816 HD11 LEU 106 HD11 LEU 106 -33.296 8.820 18.501 817 HD12 LEU 106 HD12 LEU 106 -34.817 7.926 18.548 818 HD13 LEU 106 HD13 LEU 106 -34.019 8.229 17.006 819 HD21 LEU 106 HD21 LEU 106 -33.691 6.321 20.212 820 HD22 LEU 106 HD22 LEU 106 -32.218 7.280 20.065 821 HD23 LEU 106 HD23 LEU 106 -32.177 5.547 19.741 Start of MODEL 12 1 H GLY -4 HT1 GLY -4 5.341 -23.794 -5.320 2 HA2 GLY -4 HA1 GLY -4 5.815 -25.142 -7.921 3 HA3 GLY -4 HA2 GLY -4 4.892 -25.811 -6.582 4 H ILE -3 HN ILE -3 2.817 -25.792 -7.191 5 HA ILE -3 HA ILE -3 1.768 -23.546 -8.716 6 HB ILE -3 HB ILE -3 -0.352 -24.846 -8.769 7 HG12 ILE -3 HG12 ILE -3 1.263 -27.003 -7.387 8 HG13 ILE -3 HG11 ILE -3 0.017 -26.038 -6.604 9 HG21 ILE -3 HG21 ILE -3 1.268 -25.080 -10.562 10 HG22 ILE -3 HG22 ILE -3 0.465 -26.619 -10.255 11 HG23 ILE -3 HG23 ILE -3 2.105 -26.346 -9.665 12 HD11 ILE -3 HD11 ILE -3 -1.650 -26.959 -8.122 13 HD12 ILE -3 HD12 ILE -3 -0.813 -28.230 -7.232 14 HD13 ILE -3 HD13 ILE -3 -0.401 -27.914 -8.917 15 H ASP -2 HN ASP -2 2.650 -22.932 -6.188 16 HA ASP -2 HA ASP -2 0.588 -23.019 -4.223 17 HB2 ASP -2 HB2 ASP -2 3.119 -21.367 -4.331 18 HB3 ASP -2 HB1 ASP -2 2.101 -21.578 -2.916 19 HA PRO -1 HA PRO -1 -1.505 -19.388 -5.916 20 HB2 PRO -1 HB2 PRO -1 -3.574 -19.440 -4.152 21 HB3 PRO -1 HB1 PRO -1 -3.496 -20.494 -5.569 22 HG2 PRO -1 HG2 PRO -1 -2.823 -21.100 -2.716 23 HG3 PRO -1 HG1 PRO -1 -3.705 -22.090 -3.893 24 HD2 PRO -1 HD2 PRO -1 -1.101 -22.516 -3.290 25 HD3 PRO -1 HD1 PRO -1 -1.772 -22.842 -4.901 26 H PHE 0 HN PHE 0 -0.244 -20.031 -2.813 27 HA PHE 0 HA PHE 0 -0.901 -17.638 -1.460 28 HB2 PHE 0 HB2 PHE 0 1.470 -19.452 -0.978 29 HB3 PHE 0 HB1 PHE 0 0.738 -18.343 0.175 30 HD1 PHE 0 HD1 PHE 0 -1.542 -18.822 1.057 31 HD2 PHE 0 HD2 PHE 0 0.614 -21.622 -1.313 32 HE1 PHE 0 HE1 PHE 0 -3.025 -20.622 1.836 33 HE2 PHE 0 HE2 PHE 0 -0.868 -23.426 -0.539 34 HZ PHE 0 HZ PHE 0 -2.691 -22.927 1.037 35 H THR 1 HN THR 1 1.329 -18.332 -3.940 36 HA THR 1 HA THR 1 3.419 -16.555 -3.400 37 HB THR 1 HB THR 1 3.720 -16.514 -5.912 38 HG1 THR 1 HG1 THR 1 1.900 -18.592 -6.203 39 HG21 THR 1 HG21 THR 1 4.302 -18.915 -6.054 40 HG22 THR 1 HG22 THR 1 3.429 -19.190 -4.547 41 HG23 THR 1 HG23 THR 1 4.863 -18.167 -4.560 42 H LEU 2 HN LEU 2 0.205 -16.022 -4.636 43 HA LEU 2 HA LEU 2 0.514 -13.494 -5.790 44 HB2 LEU 2 HB2 LEU 2 -1.487 -14.892 -6.033 45 HB3 LEU 2 HB1 LEU 2 -1.870 -14.646 -4.343 46 HG LEU 2 HG LEU 2 -2.157 -12.221 -4.806 47 HD11 LEU 2 HD11 LEU 2 -1.809 -13.083 -7.674 48 HD12 LEU 2 HD12 LEU 2 -0.738 -12.018 -6.764 49 HD13 LEU 2 HD13 LEU 2 -2.380 -11.501 -7.144 50 HD21 LEU 2 HD21 LEU 2 -4.296 -12.469 -5.985 51 HD22 LEU 2 HD22 LEU 2 -4.075 -13.700 -4.741 52 HD23 LEU 2 HD23 LEU 2 -3.841 -14.111 -6.441 53 H ASN 3 HN ASN 3 0.064 -14.489 -2.451 54 HA ASN 3 HA ASN 3 -0.544 -11.957 -1.365 55 HB2 ASN 3 HB2 ASN 3 -0.817 -14.224 -0.239 56 HB3 ASN 3 HB1 ASN 3 0.915 -14.174 0.079 57 HD21 ASN 3 HD21 ASN 3 0.766 -14.068 2.278 58 HD22 ASN 3 HD22 ASN 3 0.118 -12.706 3.125 59 H HIS 4 HN HIS 4 2.500 -13.669 -1.901 60 HA HIS 4 HA HIS 4 4.098 -11.565 -0.769 61 HB2 HIS 4 HB2 HIS 4 4.854 -13.943 -0.815 62 HB3 HIS 4 HB1 HIS 4 4.965 -13.841 -2.569 63 HD1 HIS 4 HD1 HIS 4 7.017 -12.657 -3.560 64 HD2 HIS 4 HD2 HIS 4 6.857 -12.526 0.594 65 HE1 HIS 4 HE1 HIS 4 9.256 -11.775 -2.821 66 HE2 HIS 4 HE2 HIS 4 9.147 -11.728 -0.301 67 H GLN 5 HN GLN 5 3.047 -12.547 -3.967 68 HA GLN 5 HA GLN 5 4.767 -10.929 -5.476 69 HB2 GLN 5 HB2 GLN 5 3.397 -12.822 -6.352 70 HB3 GLN 5 HB1 GLN 5 1.970 -11.805 -6.210 71 HG2 GLN 5 HG2 GLN 5 2.839 -10.273 -7.845 72 HG3 GLN 5 HG1 GLN 5 4.364 -11.155 -7.913 73 HE21 GLN 5 HE21 GLN 5 4.440 -13.144 -8.951 74 HE22 GLN 5 HE22 GLN 5 3.195 -13.670 -10.031 75 H VAL 6 HN VAL 6 1.486 -10.297 -4.237 76 HA VAL 6 HA VAL 6 1.363 -7.690 -5.383 77 HB VAL 6 HB VAL 6 -0.668 -8.983 -4.785 78 HG11 VAL 6 HG11 VAL 6 0.064 -8.307 -1.941 79 HG12 VAL 6 HG12 VAL 6 0.051 -9.919 -2.659 80 HG13 VAL 6 HG13 VAL 6 -1.458 -9.023 -2.474 81 HG21 VAL 6 HG21 VAL 6 -0.432 -6.278 -3.476 82 HG22 VAL 6 HG22 VAL 6 -1.944 -7.085 -3.891 83 HG23 VAL 6 HG23 VAL 6 -0.828 -6.597 -5.166 84 H MET 7 HN MET 7 2.447 -8.959 -2.289 85 HA MET 7 HA MET 7 2.717 -6.474 -0.956 86 HB2 MET 7 HB2 MET 7 2.733 -8.668 0.200 87 HB3 MET 7 HB1 MET 7 4.290 -9.023 -0.529 88 HG2 MET 7 HG2 MET 7 4.582 -8.303 1.751 89 HG3 MET 7 HG1 MET 7 5.268 -7.109 0.651 90 HE1 MET 7 HE1 MET 7 4.649 -6.609 3.736 91 HE2 MET 7 HE2 MET 7 3.928 -5.001 3.698 92 HE3 MET 7 HE3 MET 7 5.333 -5.358 2.697 93 H ASP 8 HN ASP 8 4.955 -8.454 -2.844 94 HA ASP 8 HA ASP 8 7.137 -6.645 -2.676 95 HB2 ASP 8 HB2 ASP 8 7.553 -8.954 -3.227 96 HB3 ASP 8 HB1 ASP 8 6.500 -8.858 -4.635 97 H GLN 9 HN GLN 9 4.365 -6.928 -4.766 98 HA GLN 9 HA GLN 9 5.201 -5.219 -6.844 99 HB2 GLN 9 HB2 GLN 9 3.232 -6.705 -7.009 100 HB3 GLN 9 HB1 GLN 9 2.396 -5.711 -5.823 101 HG2 GLN 9 HG2 GLN 9 2.562 -3.794 -7.371 102 HG3 GLN 9 HG1 GLN 9 3.290 -4.865 -8.568 103 HE21 GLN 9 HE21 GLN 9 0.392 -3.961 -6.918 104 HE22 GLN 9 HE22 GLN 9 -0.703 -4.845 -7.925 105 H VAL 10 HN VAL 10 3.185 -4.551 -3.966 106 HA VAL 10 HA VAL 10 3.050 -1.770 -4.453 107 HB VAL 10 HB VAL 10 2.201 -1.569 -2.165 108 HG11 VAL 10 HG11 VAL 10 0.661 -2.221 -3.916 109 HG12 VAL 10 HG12 VAL 10 0.235 -3.018 -2.401 110 HG13 VAL 10 HG13 VAL 10 1.068 -3.918 -3.668 111 HG21 VAL 10 HG21 VAL 10 3.666 -3.205 -1.082 112 HG22 VAL 10 HG22 VAL 10 2.809 -4.508 -1.905 113 HG23 VAL 10 HG23 VAL 10 1.967 -3.508 -0.718 114 H PHE 11 HN PHE 11 5.336 -3.801 -2.736 115 HA PHE 11 HA PHE 11 6.742 -1.755 -1.393 116 HB2 PHE 11 HB2 PHE 11 7.023 -4.133 -0.841 117 HB3 PHE 11 HB1 PHE 11 7.751 -4.420 -2.417 118 HD1 PHE 11 HD1 PHE 11 8.209 -2.241 0.576 119 HD2 PHE 11 HD2 PHE 11 10.041 -4.463 -2.554 120 HE1 PHE 11 HE1 PHE 11 10.423 -1.731 1.515 121 HE2 PHE 11 HE2 PHE 11 12.260 -3.958 -1.620 122 HZ PHE 11 HZ PHE 11 12.454 -2.591 0.419 123 H ASP 12 HN ASP 12 7.113 -3.186 -4.610 124 HA ASP 12 HA ASP 12 9.354 -1.651 -5.397 125 HB2 ASP 12 HB2 ASP 12 8.841 -3.553 -6.722 126 HB3 ASP 12 HB1 ASP 12 7.175 -3.038 -6.952 127 H GLN 13 HN GLN 13 5.888 -1.105 -5.542 128 HA GLN 13 HA GLN 13 5.996 1.237 -7.119 129 HB2 GLN 13 HB2 GLN 13 3.948 -0.145 -6.770 130 HB3 GLN 13 HB1 GLN 13 3.863 0.466 -5.122 131 HG2 GLN 13 HG2 GLN 13 2.346 1.662 -6.607 132 HG3 GLN 13 HG1 GLN 13 3.587 2.731 -5.954 133 HE21 GLN 13 HE21 GLN 13 2.377 1.129 -8.781 134 HE22 GLN 13 HE22 GLN 13 3.309 2.022 -9.931 135 H VAL 14 HN VAL 14 5.698 0.789 -3.574 136 HA VAL 14 HA VAL 14 5.727 3.544 -2.978 137 HB VAL 14 HB VAL 14 6.275 2.934 -0.671 138 HG11 VAL 14 HG11 VAL 14 4.241 1.098 -1.918 139 HG12 VAL 14 HG12 VAL 14 3.971 2.766 -1.414 140 HG13 VAL 14 HG13 VAL 14 4.333 1.529 -0.211 141 HG21 VAL 14 HG21 VAL 14 6.548 0.563 -0.047 142 HG22 VAL 14 HG22 VAL 14 7.885 1.179 -1.019 143 HG23 VAL 14 HG23 VAL 14 6.656 0.154 -1.760 144 H GLU 15 HN GLU 15 8.320 1.215 -3.447 145 HA GLU 15 HA GLU 15 10.486 2.765 -2.601 146 HB2 GLU 15 HB2 GLU 15 10.718 0.407 -3.225 147 HB3 GLU 15 HB1 GLU 15 10.332 0.796 -4.895 148 HG2 GLU 15 HG2 GLU 15 12.370 2.315 -4.840 149 HG3 GLU 15 HG1 GLU 15 12.793 1.495 -3.339 150 H HIS 16 HN HIS 16 8.966 2.509 -5.798 151 HA HIS 16 HA HIS 16 10.573 4.442 -7.074 152 HB2 HIS 16 HB2 HIS 16 7.781 3.471 -7.713 153 HB3 HIS 16 HB1 HIS 16 8.695 4.559 -8.750 154 HD1 HIS 16 HD1 HIS 16 8.059 2.221 -10.257 155 HD2 HIS 16 HD2 HIS 16 11.230 2.135 -7.577 156 HE1 HIS 16 HE1 HIS 16 9.495 0.289 -10.975 157 HE2 HIS 16 HE2 HIS 16 11.279 0.129 -9.206 158 H GLN 17 HN GLN 17 7.487 4.669 -5.374 159 HA GLN 17 HA GLN 17 6.926 7.362 -5.829 160 HB2 GLN 17 HB2 GLN 17 6.365 5.643 -3.410 161 HB3 GLN 17 HB1 GLN 17 5.695 7.250 -3.642 162 HG2 GLN 17 HG2 GLN 17 5.266 4.953 -5.534 163 HG3 GLN 17 HG1 GLN 17 4.159 5.396 -4.236 164 HE21 GLN 17 HE21 GLN 17 2.953 7.276 -4.411 165 HE22 GLN 17 HE22 GLN 17 2.756 8.112 -5.912 166 H ILE 18 HN ILE 18 8.690 5.897 -3.094 167 HA ILE 18 HA ILE 18 9.404 8.285 -1.819 168 HB ILE 18 HB ILE 18 10.882 5.647 -1.852 169 HG12 ILE 18 HG12 ILE 18 8.941 6.790 0.170 170 HG13 ILE 18 HG11 ILE 18 8.540 5.559 -1.023 171 HG21 ILE 18 HG21 ILE 18 11.153 7.982 0.037 172 HG22 ILE 18 HG22 ILE 18 12.356 7.442 -1.134 173 HG23 ILE 18 HG23 ILE 18 11.931 6.411 0.233 174 HD11 ILE 18 HD11 ILE 18 10.519 5.290 1.228 175 HD12 ILE 18 HD12 ILE 18 10.197 4.063 0.003 176 HD13 ILE 18 HD13 ILE 18 8.924 4.543 1.125 177 H ALA 19 HN ALA 19 11.096 6.393 -4.287 178 HA ALA 19 HA ALA 19 13.458 7.885 -4.396 179 HB1 ALA 19 HB1 ALA 19 13.201 5.690 -5.443 180 HB2 ALA 19 HB2 ALA 19 13.792 6.888 -6.594 181 HB3 ALA 19 HB3 ALA 19 12.102 6.386 -6.633 182 H GLN 20 HN GLN 20 10.412 8.278 -6.188 183 HA GLN 20 HA GLN 20 11.365 10.464 -7.742 184 HB2 GLN 20 HB2 GLN 20 8.554 9.537 -7.151 185 HB3 GLN 20 HB1 GLN 20 8.953 10.814 -8.294 186 HG2 GLN 20 HG2 GLN 20 10.354 9.158 -9.530 187 HG3 GLN 20 HG1 GLN 20 9.714 7.908 -8.462 188 HE21 GLN 20 HE21 GLN 20 9.011 10.114 -11.040 189 HE22 GLN 20 HE22 GLN 20 7.490 9.429 -11.491 190 H VAL 21 HN VAL 21 9.568 10.228 -4.704 191 HA VAL 21 HA VAL 21 9.010 12.969 -4.401 192 HB VAL 21 HB VAL 21 9.436 10.833 -2.302 193 HG11 VAL 21 HG11 VAL 21 8.381 12.354 -0.710 194 HG12 VAL 21 HG12 VAL 21 8.326 13.617 -1.941 195 HG13 VAL 21 HG13 VAL 21 9.880 13.041 -1.338 196 HG21 VAL 21 HG21 VAL 21 7.519 10.459 -3.750 197 HG22 VAL 21 HG22 VAL 21 6.938 12.093 -3.428 198 HG23 VAL 21 HG23 VAL 21 6.989 10.903 -2.127 199 H LEU 22 HN LEU 22 11.747 11.030 -3.196 200 HA LEU 22 HA LEU 22 13.137 13.244 -2.090 201 HB2 LEU 22 HB2 LEU 22 14.175 10.556 -2.995 202 HB3 LEU 22 HB1 LEU 22 15.091 11.718 -2.055 203 HG LEU 22 HG LEU 22 12.577 10.313 -1.144 204 HD11 LEU 22 HD11 LEU 22 15.453 9.963 -0.310 205 HD12 LEU 22 HD12 LEU 22 14.507 8.828 -1.272 206 HD13 LEU 22 HD13 LEU 22 14.060 9.149 0.403 207 HD21 LEU 22 HD21 LEU 22 12.735 12.532 -0.176 208 HD22 LEU 22 HD22 LEU 22 14.405 12.229 0.301 209 HD23 LEU 22 HD23 LEU 22 13.096 11.311 1.045 210 H GLY 23 HN GLY 23 13.199 11.648 -5.226 211 HA2 GLY 23 HA2 GLY 23 15.456 12.963 -6.285 212 HA3 GLY 23 HA1 GLY 23 14.170 12.217 -7.219 213 H ALA 24 HN ALA 24 12.000 13.770 -6.444 214 HA ALA 24 HA ALA 24 12.272 16.049 -8.075 215 HB1 ALA 24 HB1 ALA 24 10.122 14.935 -7.641 216 HB2 ALA 24 HB2 ALA 24 10.052 16.664 -7.304 217 HB3 ALA 24 HB3 ALA 24 10.173 15.511 -5.976 218 H LYS 25 HN LYS 25 12.446 15.592 -4.598 219 HA LYS 25 HA LYS 25 12.703 18.355 -3.956 220 HB2 LYS 25 HB2 LYS 25 11.906 16.728 -2.317 221 HB3 LYS 25 HB1 LYS 25 13.437 15.868 -2.398 222 HG2 LYS 25 HG2 LYS 25 14.560 17.892 -1.516 223 HG3 LYS 25 HG1 LYS 25 12.974 18.639 -1.320 224 HD2 LYS 25 HD2 LYS 25 12.318 16.795 0.177 225 HD3 LYS 25 HD1 LYS 25 13.933 16.106 0.014 226 HE2 LYS 25 HE2 LYS 25 13.746 17.375 2.080 227 HE3 LYS 25 HE1 LYS 25 14.895 18.138 0.983 228 HZ1 LYS 25 HZ1 LYS 25 13.158 19.703 0.339 229 HZ2 LYS 25 HZ2 LYS 25 13.452 19.774 2.001 230 HZ3 LYS 25 HZ3 LYS 25 12.079 18.977 1.419 231 H GLY 26 HN GLY 26 14.842 15.895 -5.052 232 HA2 GLY 26 HA2 GLY 26 17.034 16.101 -5.787 233 HA3 GLY 26 HA1 GLY 26 17.060 17.747 -5.165 234 H GLY 27 HN GLY 27 15.999 15.111 -3.181 235 HA2 GLY 27 HA2 GLY 27 18.143 15.763 -1.307 236 HA3 GLY 27 HA1 GLY 27 16.682 14.856 -0.944 237 HA PRO 28 HA PRO 28 20.433 12.025 -1.502 238 HB2 PRO 28 HB2 PRO 28 19.808 11.228 1.263 239 HB3 PRO 28 HB1 PRO 28 21.357 11.697 0.555 240 HG2 PRO 28 HG2 PRO 28 20.057 13.295 2.273 241 HG3 PRO 28 HG1 PRO 28 20.989 13.951 0.913 242 HD2 PRO 28 HD2 PRO 28 18.027 13.567 1.173 243 HD3 PRO 28 HD1 PRO 28 18.929 14.943 0.501 244 H LEU 29 HN LEU 29 19.889 10.234 -2.541 245 HA LEU 29 HA LEU 29 17.356 8.948 -2.120 246 HB2 LEU 29 HB2 LEU 29 19.699 8.130 -3.843 247 HB3 LEU 29 HB1 LEU 29 18.093 7.430 -3.904 248 HG LEU 29 HG LEU 29 18.731 10.308 -4.562 249 HD11 LEU 29 HD11 LEU 29 18.175 7.971 -6.384 250 HD12 LEU 29 HD12 LEU 29 19.725 8.785 -6.183 251 HD13 LEU 29 HD13 LEU 29 18.359 9.651 -6.886 252 HD21 LEU 29 HD21 LEU 29 16.451 10.297 -5.510 253 HD22 LEU 29 HD22 LEU 29 16.464 10.040 -3.766 254 HD23 LEU 29 HD23 LEU 29 16.210 8.678 -4.856 255 H VAL 30 HN VAL 30 17.082 7.710 -0.400 256 HA VAL 30 HA VAL 30 19.317 6.281 0.782 257 HB VAL 30 HB VAL 30 17.724 5.746 2.603 258 HG11 VAL 30 HG11 VAL 30 19.078 7.756 2.745 259 HG12 VAL 30 HG12 VAL 30 17.489 8.035 3.457 260 HG13 VAL 30 HG13 VAL 30 17.857 8.663 1.850 261 HG21 VAL 30 HG21 VAL 30 15.787 7.412 0.997 262 HG22 VAL 30 HG22 VAL 30 15.518 6.812 2.632 263 HG23 VAL 30 HG23 VAL 30 15.669 5.677 1.290 264 H ALA 31 HN ALA 31 19.299 4.050 1.219 265 HA ALA 31 HA ALA 31 17.945 2.437 -0.758 266 HB1 ALA 31 HB1 ALA 31 20.267 1.953 -0.162 267 HB2 ALA 31 HB2 ALA 31 19.222 0.581 0.203 268 HB3 ALA 31 HB3 ALA 31 19.779 1.635 1.502 269 H VAL 32 HN VAL 32 15.809 2.321 -0.336 270 HA VAL 32 HA VAL 32 14.792 2.071 2.335 271 HB VAL 32 HB VAL 32 13.522 3.363 0.743 272 HG11 VAL 32 HG11 VAL 32 14.178 2.254 -1.314 273 HG12 VAL 32 HG12 VAL 32 12.422 2.343 -1.195 274 HG13 VAL 32 HG13 VAL 32 13.252 0.824 -0.860 275 HG21 VAL 32 HG21 VAL 32 12.094 0.808 1.460 276 HG22 VAL 32 HG22 VAL 32 11.313 2.314 0.976 277 HG23 VAL 32 HG23 VAL 32 12.248 2.246 2.469 278 H GLU 33 HN GLU 33 14.345 0.275 3.421 279 HA GLU 33 HA GLU 33 14.203 -2.254 1.923 280 HB2 GLU 33 HB2 GLU 33 15.127 -1.777 4.764 281 HB3 GLU 33 HB1 GLU 33 14.931 -3.361 4.029 282 HG2 GLU 33 HG2 GLU 33 16.641 -2.801 2.374 283 HG3 GLU 33 HG1 GLU 33 16.841 -1.218 3.122 284 H ILE 34 HN ILE 34 12.937 -3.954 3.312 285 HA ILE 34 HA ILE 34 10.278 -3.102 3.281 286 HB ILE 34 HB ILE 34 10.879 -5.419 2.911 287 HG12 ILE 34 HG12 ILE 34 9.214 -6.524 4.412 288 HG13 ILE 34 HG11 ILE 34 9.121 -5.029 5.337 289 HG21 ILE 34 HG21 ILE 34 11.568 -6.893 4.743 290 HG22 ILE 34 HG22 ILE 34 11.658 -5.498 5.819 291 HG23 ILE 34 HG23 ILE 34 12.748 -5.617 4.438 292 HD11 ILE 34 HD11 ILE 34 7.274 -5.223 3.782 293 HD12 ILE 34 HD12 ILE 34 8.403 -5.354 2.434 294 HD13 ILE 34 HD13 ILE 34 8.305 -3.857 3.361 295 H ASP 35 HN ASP 35 12.528 -3.416 5.988 296 HA ASP 35 HA ASP 35 10.369 -2.758 7.862 297 HB2 ASP 35 HB2 ASP 35 11.807 -3.611 9.604 298 HB3 ASP 35 HB1 ASP 35 11.757 -4.784 8.293 299 H SER 36 HN SER 36 11.996 -0.887 6.054 300 HA SER 36 HA SER 36 13.503 0.718 7.899 301 HB2 SER 36 HB2 SER 36 12.597 1.330 5.078 302 HB3 SER 36 HB1 SER 36 13.795 2.240 6.000 303 HG SER 36 HG SER 36 14.723 -0.109 6.148 304 H ARG 37 HN ARG 37 12.928 2.606 8.863 305 HA ARG 37 HA ARG 37 10.088 3.281 8.889 306 HB2 ARG 37 HB2 ARG 37 12.411 4.262 10.558 307 HB3 ARG 37 HB1 ARG 37 10.754 4.818 10.751 308 HG2 ARG 37 HG2 ARG 37 10.059 2.540 11.307 309 HG3 ARG 37 HG1 ARG 37 11.726 1.992 11.124 310 HD2 ARG 37 HD2 ARG 37 12.420 3.465 12.931 311 HD3 ARG 37 HD1 ARG 37 10.773 4.066 13.097 312 HE ARG 37 HE ARG 37 10.492 1.398 13.451 313 HH11 ARG 37 HH11 ARG 37 12.618 3.780 14.878 314 HH12 ARG 37 HH12 ARG 37 12.700 2.977 16.414 315 HH21 ARG 37 HH21 ARG 37 10.590 0.327 15.468 316 HH22 ARG 37 HH22 ARG 37 11.550 1.003 16.750 317 H PHE 38 HN PHE 38 9.258 5.191 8.211 318 HA PHE 38 HA PHE 38 10.505 6.337 5.967 319 HB2 PHE 38 HB2 PHE 38 8.069 7.178 7.535 320 HB3 PHE 38 HB1 PHE 38 8.573 7.952 6.035 321 HD1 PHE 38 HD1 PHE 38 6.723 5.273 7.486 322 HD2 PHE 38 HD2 PHE 38 8.788 6.481 3.965 323 HE1 PHE 38 HE1 PHE 38 5.506 3.576 6.191 324 HE2 PHE 38 HE2 PHE 38 7.568 4.787 2.667 325 HZ PHE 38 HZ PHE 38 5.925 3.331 3.779 326 H SER 39 HN SER 39 10.415 7.304 9.306 327 HA SER 39 HA SER 39 11.156 9.987 9.064 328 HB2 SER 39 HB2 SER 39 12.147 9.612 11.384 329 HB3 SER 39 HB1 SER 39 10.445 9.193 11.194 330 HG SER 39 HG SER 39 12.688 7.486 11.410 331 H ASP 40 HN ASP 40 13.116 7.058 9.253 332 HA ASP 40 HA ASP 40 15.597 8.518 9.171 333 HB2 ASP 40 HB2 ASP 40 14.978 5.560 9.069 334 HB3 ASP 40 HB1 ASP 40 16.609 6.220 9.079 335 H LEU 41 HN LEU 41 13.363 7.488 6.891 336 HA LEU 41 HA LEU 41 15.291 7.113 4.754 337 HB2 LEU 41 HB2 LEU 41 12.274 7.171 4.716 338 HB3 LEU 41 HB1 LEU 41 13.282 6.831 3.324 339 HG LEU 41 HG LEU 41 13.111 5.147 5.825 340 HD11 LEU 41 HD11 LEU 41 11.109 5.021 4.429 341 HD12 LEU 41 HD12 LEU 41 12.022 3.514 4.385 342 HD13 LEU 41 HD13 LEU 41 12.108 4.639 3.029 343 HD21 LEU 41 HD21 LEU 41 14.661 4.739 3.270 344 HD22 LEU 41 HD22 LEU 41 14.466 3.536 4.545 345 HD23 LEU 41 HD23 LEU 41 15.334 5.036 4.874 346 H GLY 42 HN GLY 42 13.891 9.718 6.286 347 HA2 GLY 42 HA2 GLY 42 14.675 11.910 5.657 348 HA3 GLY 42 HA1 GLY 42 14.554 11.420 3.974 349 H LEU 43 HN LEU 43 11.871 10.233 5.456 350 HA LEU 43 HA LEU 43 10.276 12.488 4.488 351 HB2 LEU 43 HB2 LEU 43 9.448 9.680 5.241 352 HB3 LEU 43 HB1 LEU 43 8.354 10.920 4.670 353 HG LEU 43 HG LEU 43 8.720 9.540 2.819 354 HD11 LEU 43 HD11 LEU 43 9.971 10.903 1.212 355 HD12 LEU 43 HD12 LEU 43 10.618 11.858 2.545 356 HD13 LEU 43 HD13 LEU 43 8.887 11.866 2.214 357 HD21 LEU 43 HD21 LEU 43 10.586 8.252 3.661 358 HD22 LEU 43 HD22 LEU 43 11.670 9.624 3.419 359 HD23 LEU 43 HD23 LEU 43 10.926 8.831 2.030 360 H SER 44 HN SER 44 9.313 13.851 5.859 361 HA SER 44 HA SER 44 9.308 13.197 8.698 362 HB2 SER 44 HB2 SER 44 8.630 15.778 7.270 363 HB3 SER 44 HB1 SER 44 8.733 15.574 9.020 364 HG SER 44 HG SER 44 10.981 14.645 8.142 365 H SER 45 HN SER 45 7.156 14.552 9.654 366 HA SER 45 HA SER 45 5.171 12.636 9.502 367 HB2 SER 45 HB2 SER 45 4.828 15.531 10.304 368 HB3 SER 45 HB1 SER 45 3.819 14.173 10.805 369 HG SER 45 HG SER 45 5.960 15.065 12.012 370 H LEU 46 HN LEU 46 5.165 15.863 7.952 371 HA LEU 46 HA LEU 46 2.688 15.443 6.635 372 HB2 LEU 46 HB2 LEU 46 3.559 17.686 7.061 373 HB3 LEU 46 HB1 LEU 46 4.912 17.380 5.990 374 HG LEU 46 HG LEU 46 3.339 17.175 4.089 375 HD11 LEU 46 HD11 LEU 46 1.359 16.458 5.313 376 HD12 LEU 46 HD12 LEU 46 1.023 17.905 4.363 377 HD13 LEU 46 HD13 LEU 46 1.267 18.031 6.104 378 HD21 LEU 46 HD21 LEU 46 4.432 19.310 4.602 379 HD22 LEU 46 HD22 LEU 46 3.070 19.750 5.633 380 HD23 LEU 46 HD23 LEU 46 2.831 19.541 3.899 381 H ASP 47 HN ASP 47 6.055 14.990 5.665 382 HA ASP 47 HA ASP 47 5.635 14.457 2.944 383 HB2 ASP 47 HB2 ASP 47 7.754 13.265 4.747 384 HB3 ASP 47 HB1 ASP 47 7.792 13.293 2.989 385 H LEU 48 HN LEU 48 5.642 12.327 5.756 386 HA LEU 48 HA LEU 48 5.299 9.880 4.459 387 HB2 LEU 48 HB2 LEU 48 5.801 10.329 6.904 388 HB3 LEU 48 HB1 LEU 48 4.097 10.659 7.117 389 HG LEU 48 HG LEU 48 5.041 8.009 6.045 390 HD11 LEU 48 HD11 LEU 48 6.205 8.412 8.160 391 HD12 LEU 48 HD12 LEU 48 4.987 7.148 8.321 392 HD13 LEU 48 HD13 LEU 48 4.664 8.768 8.940 393 HD21 LEU 48 HD21 LEU 48 2.658 8.543 5.828 394 HD22 LEU 48 HD22 LEU 48 2.569 8.846 7.563 395 HD23 LEU 48 HD23 LEU 48 2.926 7.224 6.969 396 H ALA 49 HN ALA 49 2.851 12.116 5.757 397 HA ALA 49 HA ALA 49 0.588 10.679 4.912 398 HB1 ALA 49 HB1 ALA 49 -0.640 12.769 5.235 399 HB2 ALA 49 HB2 ALA 49 0.884 13.655 5.322 400 HB3 ALA 49 HB3 ALA 49 0.478 12.473 6.568 401 H THR 50 HN THR 50 2.487 13.207 3.331 402 HA THR 50 HA THR 50 0.882 13.510 1.040 403 HB THR 50 HB THR 50 3.883 13.872 1.216 404 HG1 THR 50 HG1 THR 50 2.687 15.064 2.834 405 HG21 THR 50 HG21 THR 50 1.830 15.144 -0.602 406 HG22 THR 50 HG22 THR 50 3.001 13.911 -1.073 407 HG23 THR 50 HG23 THR 50 3.557 15.509 -0.575 408 H LEU 51 HN LEU 51 3.563 11.328 1.778 409 HA LEU 51 HA LEU 51 3.873 10.156 -0.745 410 HB2 LEU 51 HB2 LEU 51 5.435 9.865 1.146 411 HB3 LEU 51 HB1 LEU 51 4.238 8.889 1.974 412 HG LEU 51 HG LEU 51 4.370 7.234 0.113 413 HD11 LEU 51 HD11 LEU 51 6.674 8.958 -0.785 414 HD12 LEU 51 HD12 LEU 51 5.157 8.709 -1.650 415 HD13 LEU 51 HD13 LEU 51 6.274 7.363 -1.422 416 HD21 LEU 51 HD21 LEU 51 6.541 6.320 0.781 417 HD22 LEU 51 HD22 LEU 51 5.625 6.906 2.170 418 HD23 LEU 51 HD23 LEU 51 6.958 7.864 1.525 419 H ILE 52 HN ILE 52 1.782 9.271 1.978 420 HA ILE 52 HA ILE 52 0.590 7.019 0.752 421 HB ILE 52 HB ILE 52 -0.641 8.830 2.838 422 HG12 ILE 52 HG12 ILE 52 1.091 6.371 3.171 423 HG13 ILE 52 HG11 ILE 52 1.560 8.022 3.556 424 HG21 ILE 52 HG21 ILE 52 -1.202 5.956 2.116 425 HG22 ILE 52 HG22 ILE 52 -2.249 7.336 1.786 426 HG23 ILE 52 HG23 ILE 52 -1.940 6.842 3.450 427 HD11 ILE 52 HD11 ILE 52 0.983 6.794 5.558 428 HD12 ILE 52 HD12 ILE 52 -0.616 6.441 4.901 429 HD13 ILE 52 HD13 ILE 52 -0.165 8.103 5.283 430 H SER 53 HN SER 53 -0.347 10.426 0.936 431 HA SER 53 HA SER 53 -2.758 10.327 -0.445 432 HB2 SER 53 HB2 SER 53 -1.953 12.329 0.722 433 HB3 SER 53 HB1 SER 53 -0.653 12.508 -0.452 434 HG SER 53 HG SER 53 -3.328 12.435 -1.326 435 H ASN 54 HN ASN 54 0.550 10.582 -1.677 436 HA ASN 54 HA ASN 54 -0.160 10.791 -4.415 437 HB2 ASN 54 HB2 ASN 54 2.399 9.944 -3.051 438 HB3 ASN 54 HB1 ASN 54 2.244 10.062 -4.801 439 HD21 ASN 54 HD21 ASN 54 3.976 11.550 -3.007 440 HD22 ASN 54 HD22 ASN 54 3.590 13.220 -3.235 441 H LEU 55 HN LEU 55 0.516 8.065 -2.291 442 HA LEU 55 HA LEU 55 0.603 6.121 -4.375 443 HB2 LEU 55 HB2 LEU 55 1.641 5.860 -2.117 444 HB3 LEU 55 HB1 LEU 55 0.033 5.693 -1.443 445 HG LEU 55 HG LEU 55 -0.313 3.650 -2.765 446 HD11 LEU 55 HD11 LEU 55 1.113 4.146 -4.665 447 HD12 LEU 55 HD12 LEU 55 1.594 2.621 -3.922 448 HD13 LEU 55 HD13 LEU 55 2.542 4.080 -3.634 449 HD21 LEU 55 HD21 LEU 55 2.190 3.690 -1.089 450 HD22 LEU 55 HD22 LEU 55 1.304 2.238 -1.551 451 HD23 LEU 55 HD23 LEU 55 0.541 3.445 -0.517 452 H GLU 56 HN GLU 56 -1.923 7.350 -2.241 453 HA GLU 56 HA GLU 56 -3.972 5.579 -2.937 454 HB2 GLU 56 HB2 GLU 56 -4.226 7.141 -1.092 455 HB3 GLU 56 HB1 GLU 56 -4.126 8.509 -2.192 456 HG2 GLU 56 HG2 GLU 56 -6.216 7.776 -3.260 457 HG3 GLU 56 HG1 GLU 56 -6.319 6.447 -2.110 458 H ALA 57 HN ALA 57 -2.698 8.406 -4.577 459 HA ALA 57 HA ALA 57 -4.773 8.563 -6.534 460 HB1 ALA 57 HB1 ALA 57 -3.321 10.154 -7.667 461 HB2 ALA 57 HB2 ALA 57 -1.978 9.695 -6.620 462 HB3 ALA 57 HB3 ALA 57 -3.393 10.497 -5.938 463 H VAL 58 HN VAL 58 -1.960 6.624 -6.166 464 HA VAL 58 HA VAL 58 -1.602 6.020 -8.947 465 HB VAL 58 HB VAL 58 -0.554 4.572 -6.507 466 HG11 VAL 58 HG11 VAL 58 1.065 3.557 -8.037 467 HG12 VAL 58 HG12 VAL 58 0.268 4.339 -9.402 468 HG13 VAL 58 HG13 VAL 58 -0.588 3.116 -8.463 469 HG21 VAL 58 HG21 VAL 58 0.744 6.613 -8.307 470 HG22 VAL 58 HG22 VAL 58 1.553 5.731 -7.012 471 HG23 VAL 58 HG23 VAL 58 0.250 6.858 -6.632 472 H TYR 59 HN TYR 59 -2.944 4.225 -6.167 473 HA TYR 59 HA TYR 59 -3.861 2.134 -7.956 474 HB2 TYR 59 HB2 TYR 59 -3.968 2.458 -4.965 475 HB3 TYR 59 HB1 TYR 59 -4.799 1.146 -5.794 476 HD1 TYR 59 HD1 TYR 59 -3.206 -0.091 -7.583 477 HD2 TYR 59 HD2 TYR 59 -1.901 1.950 -4.088 478 HE1 TYR 59 HE1 TYR 59 -1.138 -1.418 -7.590 479 HE2 TYR 59 HE2 TYR 59 0.173 0.629 -4.079 480 HH TYR 59 HH TYR 59 1.190 -1.181 -6.741 481 H GLY 60 HN GLY 60 -5.234 4.769 -6.091 482 HA2 GLY 60 HA2 GLY 60 -7.343 5.735 -6.327 483 HA3 GLY 60 HA1 GLY 60 -7.776 4.454 -7.454 484 H THR 61 HN THR 61 -6.604 2.619 -5.277 485 HA THR 61 HA THR 61 -9.067 2.413 -3.695 486 HB THR 61 HB THR 61 -8.210 0.001 -3.377 487 HG1 THR 61 HG1 THR 61 -6.230 -0.129 -4.204 488 HG21 THR 61 HG21 THR 61 -10.145 0.530 -4.762 489 HG22 THR 61 HG22 THR 61 -9.165 -0.725 -5.524 490 HG23 THR 61 HG23 THR 61 -9.082 0.936 -6.111 491 H ASP 62 HN ASP 62 -8.875 2.897 -1.600 492 HA ASP 62 HA ASP 62 -6.435 2.221 -0.166 493 HB2 ASP 62 HB2 ASP 62 -5.854 4.420 -0.827 494 HB3 ASP 62 HB1 ASP 62 -7.473 5.029 -0.514 495 HA PRO 63 HA PRO 63 -9.631 1.638 2.924 496 HB2 PRO 63 HB2 PRO 63 -8.149 0.199 4.649 497 HB3 PRO 63 HB1 PRO 63 -8.751 -0.486 3.137 498 HG2 PRO 63 HG2 PRO 63 -6.010 0.369 3.867 499 HG3 PRO 63 HG1 PRO 63 -6.534 -0.877 2.725 500 HD2 PRO 63 HD2 PRO 63 -5.693 1.762 2.115 501 HD3 PRO 63 HD1 PRO 63 -6.395 0.575 1.000 502 H PHE 64 HN PHE 64 -10.129 3.421 4.102 503 HA PHE 64 HA PHE 64 -7.957 4.808 5.486 504 HB2 PHE 64 HB2 PHE 64 -10.213 5.717 4.034 505 HB3 PHE 64 HB1 PHE 64 -10.407 6.239 5.705 506 HD1 PHE 64 HD1 PHE 64 -7.997 7.053 6.725 507 HD2 PHE 64 HD2 PHE 64 -9.243 7.277 2.667 508 HE1 PHE 64 HE1 PHE 64 -6.414 8.893 6.346 509 HE2 PHE 64 HE2 PHE 64 -7.658 9.118 2.279 510 HZ PHE 64 HZ PHE 64 -6.243 9.931 4.121 511 H ALA 65 HN ALA 65 -10.651 2.808 6.166 512 HA ALA 65 HA ALA 65 -11.119 3.704 8.830 513 HB1 ALA 65 HB1 ALA 65 -12.734 2.314 7.578 514 HB2 ALA 65 HB2 ALA 65 -12.319 1.626 9.149 515 HB3 ALA 65 HB3 ALA 65 -11.612 0.958 7.680 516 H ASP 66 HN ASP 66 -8.721 1.810 7.298 517 HA ASP 66 HA ASP 66 -7.618 0.847 9.821 518 HB2 ASP 66 HB2 ASP 66 -6.836 0.407 6.934 519 HB3 ASP 66 HB1 ASP 66 -5.878 -0.186 8.286 520 H ALA 67 HN ALA 67 -7.435 3.540 7.823 521 HA ALA 67 HA ALA 67 -4.728 4.220 8.753 522 HB1 ALA 67 HB1 ALA 67 -4.975 4.146 6.312 523 HB2 ALA 67 HB2 ALA 67 -4.588 5.766 6.887 524 HB3 ALA 67 HB3 ALA 67 -6.238 5.371 6.411 525 H VAL 68 HN VAL 68 -7.240 4.507 10.271 526 HA VAL 68 HA VAL 68 -8.047 7.215 10.327 527 HB VAL 68 HB VAL 68 -8.178 5.136 12.519 528 HG11 VAL 68 HG11 VAL 68 -9.877 6.575 13.544 529 HG12 VAL 68 HG12 VAL 68 -9.588 7.795 12.303 530 HG13 VAL 68 HG13 VAL 68 -8.314 7.385 13.451 531 HG21 VAL 68 HG21 VAL 68 -10.244 6.060 10.527 532 HG22 VAL 68 HG22 VAL 68 -10.538 4.937 11.855 533 HG23 VAL 68 HG23 VAL 68 -9.441 4.491 10.549 534 H ALA 69 HN ALA 69 -5.691 5.384 12.227 535 HA ALA 69 HA ALA 69 -4.630 7.880 13.320 536 HB1 ALA 69 HB1 ALA 69 -3.912 5.018 13.958 537 HB2 ALA 69 HB2 ALA 69 -4.997 6.045 14.895 538 HB3 ALA 69 HB3 ALA 69 -3.283 6.447 14.779 539 H ILE 70 HN ILE 70 -3.240 8.880 12.021 540 HA ILE 70 HA ILE 70 -1.900 7.651 9.864 541 HB ILE 70 HB ILE 70 -2.458 10.055 9.919 542 HG12 ILE 70 HG12 ILE 70 -0.284 10.910 9.020 543 HG13 ILE 70 HG11 ILE 70 0.475 9.418 9.565 544 HG21 ILE 70 HG21 ILE 70 -1.969 10.565 12.226 545 HG22 ILE 70 HG22 ILE 70 -1.031 11.622 11.170 546 HG23 ILE 70 HG23 ILE 70 -0.254 10.251 11.962 547 HD11 ILE 70 HD11 ILE 70 -0.046 9.365 7.186 548 HD12 ILE 70 HD12 ILE 70 -1.753 9.609 7.554 549 HD13 ILE 70 HD13 ILE 70 -0.942 8.132 8.074 550 H THR 71 HN THR 71 -1.082 8.025 13.199 551 HA THR 71 HA THR 71 1.743 7.735 12.892 552 HB THR 71 HB THR 71 0.626 8.852 14.846 553 HG1 THR 71 HG1 THR 71 2.473 6.737 15.366 554 HG21 THR 71 HG21 THR 71 -1.102 7.177 15.245 555 HG22 THR 71 HG22 THR 71 -0.120 7.428 16.688 556 HG23 THR 71 HG23 THR 71 0.134 6.001 15.683 557 H SER 72 HN SER 72 -0.622 5.564 12.302 558 HA SER 72 HA SER 72 0.509 3.222 13.511 559 HB2 SER 72 HB2 SER 72 -1.413 3.437 11.179 560 HB3 SER 72 HB1 SER 72 -1.087 1.989 12.131 561 HG SER 72 HG SER 72 -2.635 4.208 12.727 562 H ILE 73 HN ILE 73 1.018 5.035 10.615 563 HA ILE 73 HA ILE 73 2.429 2.905 9.255 564 HB ILE 73 HB ILE 73 2.204 5.832 8.523 565 HG12 ILE 73 HG12 ILE 73 0.010 4.717 8.583 566 HG13 ILE 73 HG11 ILE 73 0.477 5.120 6.936 567 HG21 ILE 73 HG21 ILE 73 4.120 4.765 7.483 568 HG22 ILE 73 HG22 ILE 73 2.873 5.092 6.279 569 HG23 ILE 73 HG23 ILE 73 3.096 3.455 6.896 570 HD11 ILE 73 HD11 ILE 73 0.636 2.405 8.223 571 HD12 ILE 73 HD12 ILE 73 1.176 2.791 6.589 572 HD13 ILE 73 HD13 ILE 73 -0.532 2.933 7.011 573 H VAL 74 HN VAL 74 4.179 2.390 10.503 574 HA VAL 74 HA VAL 74 6.044 4.539 11.210 575 HB VAL 74 HB VAL 74 6.088 1.663 12.136 576 HG11 VAL 74 HG11 VAL 74 7.571 2.517 13.898 577 HG12 VAL 74 HG12 VAL 74 7.521 4.114 13.152 578 HG13 VAL 74 HG13 VAL 74 8.247 2.760 12.287 579 HG21 VAL 74 HG21 VAL 74 4.969 4.094 13.530 580 HG22 VAL 74 HG22 VAL 74 5.138 2.489 14.241 581 HG23 VAL 74 HG23 VAL 74 4.038 2.742 12.887 582 H THR 75 HN THR 75 6.054 1.246 9.848 583 HA THR 75 HA THR 75 8.608 1.903 8.545 584 HB THR 75 HB THR 75 8.900 -0.547 8.259 585 HG1 THR 75 HG1 THR 75 6.396 -0.551 9.582 586 HG21 THR 75 HG21 THR 75 9.426 -1.034 10.598 587 HG22 THR 75 HG22 THR 75 8.452 0.346 11.108 588 HG23 THR 75 HG23 THR 75 9.918 0.602 10.161 589 H VAL 76 HN VAL 76 8.929 0.797 6.393 590 HA VAL 76 HA VAL 76 6.986 1.604 4.551 591 HB VAL 76 HB VAL 76 9.152 -0.477 4.174 592 HG11 VAL 76 HG11 VAL 76 7.597 1.110 2.130 593 HG12 VAL 76 HG12 VAL 76 7.450 -0.621 2.432 594 HG13 VAL 76 HG13 VAL 76 8.953 0.036 1.784 595 HG21 VAL 76 HG21 VAL 76 10.432 1.382 3.188 596 HG22 VAL 76 HG22 VAL 76 10.069 1.651 4.892 597 HG23 VAL 76 HG23 VAL 76 9.145 2.495 3.649 598 H ALA 77 HN ALA 77 7.623 -1.522 6.038 599 HA ALA 77 HA ALA 77 5.876 -3.139 4.628 600 HB1 ALA 77 HB1 ALA 77 6.519 -3.293 7.569 601 HB2 ALA 77 HB2 ALA 77 7.499 -3.966 6.266 602 HB3 ALA 77 HB3 ALA 77 5.881 -4.599 6.572 603 H ASP 78 HN ASP 78 5.182 -0.840 7.200 604 HA ASP 78 HA ASP 78 2.552 -1.734 7.757 605 HB2 ASP 78 HB2 ASP 78 3.836 0.972 8.158 606 HB3 ASP 78 HB1 ASP 78 2.225 0.559 8.732 607 H LEU 79 HN LEU 79 3.852 0.678 5.538 608 HA LEU 79 HA LEU 79 1.271 1.538 4.634 609 HB2 LEU 79 HB2 LEU 79 3.246 3.009 4.577 610 HB3 LEU 79 HB1 LEU 79 4.006 1.941 3.414 611 HG LEU 79 HG LEU 79 2.230 2.459 1.786 612 HD11 LEU 79 HD11 LEU 79 0.701 4.330 2.243 613 HD12 LEU 79 HD12 LEU 79 1.268 4.366 3.913 614 HD13 LEU 79 HD13 LEU 79 0.412 2.950 3.302 615 HD21 LEU 79 HD21 LEU 79 3.620 4.873 2.945 616 HD22 LEU 79 HD22 LEU 79 2.912 4.772 1.333 617 HD23 LEU 79 HD23 LEU 79 4.287 3.753 1.756 618 H ALA 80 HN ALA 80 3.808 -0.592 3.412 619 HA ALA 80 HA ALA 80 2.642 -1.176 0.924 620 HB1 ALA 80 HB1 ALA 80 4.495 -2.861 2.604 621 HB2 ALA 80 HB2 ALA 80 4.977 -1.646 1.421 622 HB3 ALA 80 HB3 ALA 80 4.148 -3.111 0.895 623 H ARG 81 HN ARG 81 2.377 -2.778 4.072 624 HA ARG 81 HA ARG 81 0.934 -5.033 3.324 625 HB2 ARG 81 HB2 ARG 81 1.915 -4.776 5.524 626 HB3 ARG 81 HB1 ARG 81 0.840 -3.435 5.884 627 HG2 ARG 81 HG2 ARG 81 -1.077 -4.959 5.804 628 HG3 ARG 81 HG1 ARG 81 0.021 -6.304 5.472 629 HD2 ARG 81 HD2 ARG 81 -0.591 -6.180 7.849 630 HD3 ARG 81 HD1 ARG 81 1.138 -5.950 7.594 631 HE ARG 81 HE ARG 81 -0.737 -3.715 8.067 632 HH11 ARG 81 HH11 ARG 81 2.329 -5.322 8.645 633 HH12 ARG 81 HH12 ARG 81 2.939 -4.061 9.665 634 HH21 ARG 81 HH21 ARG 81 0.088 -2.037 9.381 635 HH22 ARG 81 HH22 ARG 81 1.684 -2.176 10.062 636 H ALA 82 HN ALA 82 -0.197 -1.774 4.049 637 HA ALA 82 HA ALA 82 -2.940 -2.329 4.230 638 HB1 ALA 82 HB1 ALA 82 -3.275 0.058 3.879 639 HB2 ALA 82 HB2 ALA 82 -1.609 0.221 3.325 640 HB3 ALA 82 HB3 ALA 82 -1.942 -0.231 4.997 641 H TYR 83 HN TYR 83 -0.925 -1.455 1.447 642 HA TYR 83 HA TYR 83 -3.240 -1.580 -0.307 643 HB2 TYR 83 HB2 TYR 83 -0.356 -0.867 -0.855 644 HB3 TYR 83 HB1 TYR 83 -1.626 -0.869 -2.076 645 HD1 TYR 83 HD1 TYR 83 -0.333 0.817 0.915 646 HD2 TYR 83 HD2 TYR 83 -3.313 0.871 -2.125 647 HE1 TYR 83 HE1 TYR 83 -0.925 3.116 1.544 648 HE2 TYR 83 HE2 TYR 83 -3.908 3.176 -1.502 649 HH TYR 83 HH TYR 83 -3.723 4.606 0.655 650 H ALA 84 HN ALA 84 -0.815 -3.668 0.812 651 HA ALA 84 HA ALA 84 -0.824 -5.414 -1.470 652 HB1 ALA 84 HB1 ALA 84 0.020 -5.981 1.369 653 HB2 ALA 84 HB2 ALA 84 1.069 -5.367 0.092 654 HB3 ALA 84 HB3 ALA 84 0.369 -6.981 -0.041 655 H GLN 85 HN GLN 85 -2.502 -5.204 1.611 656 HA GLN 85 HA GLN 85 -4.064 -7.594 0.980 657 HB2 GLN 85 HB2 GLN 85 -4.014 -5.896 3.483 658 HB3 GLN 85 HB1 GLN 85 -4.911 -7.395 3.283 659 HG2 GLN 85 HG2 GLN 85 -1.915 -7.106 3.190 660 HG3 GLN 85 HG1 GLN 85 -2.855 -7.735 4.542 661 HE21 GLN 85 HE21 GLN 85 -1.647 -8.364 1.353 662 HE22 GLN 85 HE22 GLN 85 -1.998 -10.056 1.334 663 H GLN 86 HN GLN 86 -4.302 -4.804 -0.269 664 HA GLN 86 HA GLN 86 -6.805 -3.749 0.515 665 HB2 GLN 86 HB2 GLN 86 -6.724 -2.428 -1.500 666 HB3 GLN 86 HB1 GLN 86 -5.114 -2.483 -0.800 667 HG2 GLN 86 HG2 GLN 86 -4.498 -4.226 -2.424 668 HG3 GLN 86 HG1 GLN 86 -6.097 -4.081 -3.152 669 HE21 GLN 86 HE21 GLN 86 -3.496 -3.628 -4.347 670 HE22 GLN 86 HE22 GLN 86 -3.494 -1.995 -4.906 671 H GLY 87 HN GLY 87 -8.846 -3.949 -0.457 672 HA2 GLY 87 HA2 GLY 87 -10.339 -5.009 -2.024 673 HA3 GLY 87 HA1 GLY 87 -9.189 -6.335 -2.154 674 H VAL 88 HN VAL 88 -9.114 -5.637 0.971 675 HA VAL 88 HA VAL 88 -10.594 -7.892 1.787 676 HB VAL 88 HB VAL 88 -8.745 -7.208 3.134 677 HG11 VAL 88 HG11 VAL 88 -8.714 -5.094 4.392 678 HG12 VAL 88 HG12 VAL 88 -10.199 -4.605 3.577 679 HG13 VAL 88 HG13 VAL 88 -8.718 -4.834 2.647 680 HG21 VAL 88 HG21 VAL 88 -9.765 -7.022 5.378 681 HG22 VAL 88 HG22 VAL 88 -10.503 -8.276 4.383 682 HG23 VAL 88 HG23 VAL 88 -11.327 -6.734 4.612 683 HA PRO 89 HA PRO 89 -14.687 -6.205 1.850 684 HB2 PRO 89 HB2 PRO 89 -15.777 -8.092 3.512 685 HB3 PRO 89 HB1 PRO 89 -15.500 -8.344 1.786 686 HG2 PRO 89 HG2 PRO 89 -13.831 -9.200 4.120 687 HG3 PRO 89 HG1 PRO 89 -14.250 -10.103 2.651 688 HD2 PRO 89 HD2 PRO 89 -11.852 -8.923 2.950 689 HD3 PRO 89 HD1 PRO 89 -12.663 -9.002 1.371 690 H GLY 90 HN GLY 90 -14.806 -4.347 2.955 691 HA2 GLY 90 HA2 GLY 90 -15.605 -4.297 5.657 692 HA3 GLY 90 HA1 GLY 90 -13.900 -3.882 5.554 693 HA PRO 91 HA PRO 91 -16.364 -0.436 3.247 694 HB2 PRO 91 HB2 PRO 91 -19.012 -0.283 3.763 695 HB3 PRO 91 HB1 PRO 91 -18.362 -1.274 2.453 696 HG2 PRO 91 HG2 PRO 91 -19.279 -2.095 5.176 697 HG3 PRO 91 HG1 PRO 91 -19.533 -2.900 3.617 698 HD2 PRO 91 HD2 PRO 91 -17.630 -3.660 5.429 699 HD3 PRO 91 HD1 PRO 91 -17.489 -3.931 3.682 700 H SER 92 HN SER 92 -16.602 1.632 4.063 701 HA SER 92 HA SER 92 -16.269 1.967 6.878 702 HB2 SER 92 HB2 SER 92 -16.805 4.077 4.777 703 HB3 SER 92 HB1 SER 92 -16.082 4.325 6.366 704 HG SER 92 HG SER 92 -14.535 4.216 4.642 705 HA PRO 93 HA PRO 93 -20.620 1.917 7.819 706 HB2 PRO 93 HB2 PRO 93 -20.379 2.951 10.358 707 HB3 PRO 93 HB1 PRO 93 -20.143 1.250 9.944 708 HG2 PRO 93 HG2 PRO 93 -18.114 3.399 10.368 709 HG3 PRO 93 HG1 PRO 93 -18.067 1.699 10.865 710 HD2 PRO 93 HD2 PRO 93 -16.700 2.597 8.730 711 HD3 PRO 93 HD1 PRO 93 -17.417 0.973 8.770 712 H ASP 94 HN ASP 94 -18.577 4.740 8.156 713 HA ASP 94 HA ASP 94 -20.815 6.570 8.244 714 HB2 ASP 94 HB2 ASP 94 -17.833 6.975 7.993 715 HB3 ASP 94 HB1 ASP 94 -18.977 8.306 7.873 716 HA PRO 95 HA PRO 95 -21.229 6.447 3.792 717 HB2 PRO 95 HB2 PRO 95 -23.176 8.333 3.607 718 HB3 PRO 95 HB1 PRO 95 -23.494 6.669 4.108 719 HG2 PRO 95 HG2 PRO 95 -23.168 9.125 5.784 720 HG3 PRO 95 HG1 PRO 95 -24.338 7.803 5.950 721 HD2 PRO 95 HD2 PRO 95 -22.109 7.996 7.482 722 HD3 PRO 95 HD1 PRO 95 -22.830 6.438 7.032 723 H LEU 96 HN LEU 96 -20.327 9.066 5.775 724 HA LEU 96 HA LEU 96 -19.925 10.987 3.671 725 HB2 LEU 96 HB2 LEU 96 -18.785 11.095 6.457 726 HB3 LEU 96 HB1 LEU 96 -19.097 12.436 5.375 727 HG LEU 96 HG LEU 96 -21.212 10.748 6.721 728 HD11 LEU 96 HD11 LEU 96 -20.313 13.572 7.272 729 HD12 LEU 96 HD12 LEU 96 -19.996 12.167 8.289 730 HD13 LEU 96 HD13 LEU 96 -21.650 12.734 8.060 731 HD21 LEU 96 HD21 LEU 96 -22.106 11.537 4.665 732 HD22 LEU 96 HD22 LEU 96 -21.402 13.136 4.899 733 HD23 LEU 96 HD23 LEU 96 -22.721 12.594 5.933 734 H ASP 97 HN ASP 97 -18.175 8.398 5.031 735 HA ASP 97 HA ASP 97 -15.530 9.263 4.848 736 HB2 ASP 97 HB2 ASP 97 -16.179 7.197 5.987 737 HB3 ASP 97 HB1 ASP 97 -16.645 6.479 4.450 738 H ALA 98 HN ALA 98 -17.301 7.259 2.484 739 HA ALA 98 HA ALA 98 -15.285 7.729 0.482 740 HB1 ALA 98 HB1 ALA 98 -17.975 6.397 0.215 741 HB2 ALA 98 HB2 ALA 98 -16.465 5.584 0.625 742 HB3 ALA 98 HB3 ALA 98 -16.659 6.340 -0.957 743 H GLN 99 HN GLN 99 -18.144 9.292 1.495 744 HA GLN 99 HA GLN 99 -19.033 10.385 -0.949 745 HB2 GLN 99 HB2 GLN 99 -20.391 10.324 1.118 746 HB3 GLN 99 HB1 GLN 99 -19.321 11.518 1.838 747 HG2 GLN 99 HG2 GLN 99 -21.370 12.539 1.046 748 HG3 GLN 99 HG1 GLN 99 -19.975 13.145 0.159 749 HE21 GLN 99 HE21 GLN 99 -21.395 10.005 -0.421 750 HE22 GLN 99 HE22 GLN 99 -22.035 10.372 -1.984 751 H LEU 100 HN LEU 100 -16.715 11.526 1.462 752 HA LEU 100 HA LEU 100 -16.301 14.079 0.316 753 HB2 LEU 100 HB2 LEU 100 -14.474 12.425 2.057 754 HB3 LEU 100 HB1 LEU 100 -14.241 14.122 1.686 755 HG LEU 100 HG LEU 100 -16.583 12.975 3.212 756 HD11 LEU 100 HD11 LEU 100 -15.586 14.102 5.142 757 HD12 LEU 100 HD12 LEU 100 -14.199 14.562 4.154 758 HD13 LEU 100 HD13 LEU 100 -14.518 12.860 4.488 759 HD21 LEU 100 HD21 LEU 100 -17.112 15.331 3.687 760 HD22 LEU 100 HD22 LEU 100 -17.221 14.956 1.969 761 HD23 LEU 100 HD23 LEU 100 -15.821 15.828 2.592 762 H ARG 101 HN ARG 101 -15.242 10.962 -0.611 763 HA ARG 101 HA ARG 101 -13.037 12.008 -2.217 764 HB2 ARG 101 HB2 ARG 101 -14.009 9.163 -1.880 765 HB3 ARG 101 HB1 ARG 101 -12.534 9.664 -2.699 766 HG2 ARG 101 HG2 ARG 101 -11.590 10.459 -0.651 767 HG3 ARG 101 HG1 ARG 101 -13.107 10.185 0.205 768 HD2 ARG 101 HD2 ARG 101 -12.851 7.742 -0.416 769 HD3 ARG 101 HD1 ARG 101 -11.203 8.143 -0.909 770 HE ARG 101 HE ARG 101 -10.818 8.881 1.395 771 HH11 ARG 101 HH11 ARG 101 -13.397 6.615 0.738 772 HH12 ARG 101 HH12 ARG 101 -13.597 6.158 2.404 773 HH21 ARG 101 HH21 ARG 101 -11.086 8.283 3.594 774 HH22 ARG 101 HH22 ARG 101 -12.300 7.113 4.022 775 H ASP 102 HN ASP 102 -16.313 11.529 -2.461 776 HA ASP 102 HA ASP 102 -16.255 11.074 -5.353 777 HB2 ASP 102 HB2 ASP 102 -17.832 9.726 -3.990 778 HB3 ASP 102 HB1 ASP 102 -18.619 11.209 -3.462 779 H LEU 103 HN LEU 103 -17.206 13.384 -2.893 780 HA LEU 103 HA LEU 103 -18.138 15.372 -4.719 781 HB2 LEU 103 HB2 LEU 103 -17.227 15.563 -1.850 782 HB3 LEU 103 HB1 LEU 103 -17.917 16.897 -2.749 783 HG LEU 103 HG LEU 103 -19.357 14.316 -2.133 784 HD11 LEU 103 HD11 LEU 103 -20.647 15.671 -0.548 785 HD12 LEU 103 HD12 LEU 103 -19.587 17.043 -0.868 786 HD13 LEU 103 HD13 LEU 103 -18.942 15.590 -0.105 787 HD21 LEU 103 HD21 LEU 103 -20.328 16.918 -3.312 788 HD22 LEU 103 HD22 LEU 103 -21.339 15.534 -2.894 789 HD23 LEU 103 HD23 LEU 103 -20.138 15.392 -4.176 790 H ARG 104 HN ARG 104 -16.995 16.800 -5.862 791 HA ARG 104 HA ARG 104 -14.091 16.760 -5.606 792 HB2 ARG 104 HB2 ARG 104 -15.760 18.246 -7.641 793 HB3 ARG 104 HB1 ARG 104 -14.044 17.884 -7.736 794 HG2 ARG 104 HG2 ARG 104 -16.294 15.888 -7.852 795 HG3 ARG 104 HG1 ARG 104 -15.313 16.445 -9.207 796 HD2 ARG 104 HD2 ARG 104 -13.322 15.486 -8.164 797 HD3 ARG 104 HD1 ARG 104 -14.297 14.936 -6.800 798 HE ARG 104 HE ARG 104 -15.222 13.993 -9.358 799 HH11 ARG 104 HH11 ARG 104 -13.042 13.350 -6.688 800 HH12 ARG 104 HH12 ARG 104 -12.979 11.643 -6.990 801 HH21 ARG 104 HH21 ARG 104 -15.126 11.755 -9.757 802 HH22 ARG 104 HH22 ARG 104 -14.159 10.738 -8.739 803 H GLN 105 HN GLN 105 -15.421 17.933 -3.465 804 HA GLN 105 HA GLN 105 -14.917 20.814 -3.841 805 HB2 GLN 105 HB2 GLN 105 -16.825 19.417 -1.958 806 HB3 GLN 105 HB1 GLN 105 -16.485 21.141 -1.918 807 HG2 GLN 105 HG2 GLN 105 -17.644 19.678 -4.277 808 HG3 GLN 105 HG1 GLN 105 -18.582 20.570 -3.082 809 HE21 GLN 105 HE21 GLN 105 -16.398 20.796 -5.766 810 HE22 GLN 105 HE22 GLN 105 -16.585 22.493 -6.037 811 H LEU 106 HN LEU 106 -13.431 18.225 -2.749 812 HA LEU 106 HA LEU 106 -12.537 19.388 -0.208 813 HB2 LEU 106 HB2 LEU 106 -13.353 17.055 -0.162 814 HB3 LEU 106 HB1 LEU 106 -12.115 16.610 -1.319 815 HG LEU 106 HG LEU 106 -10.379 17.217 0.340 816 HD11 LEU 106 HD11 LEU 106 -11.035 17.566 2.674 817 HD12 LEU 106 HD12 LEU 106 -12.730 17.593 2.190 818 HD13 LEU 106 HD13 LEU 106 -11.632 18.854 1.629 819 HD21 LEU 106 HD21 LEU 106 -12.415 15.212 1.301 820 HD22 LEU 106 HD22 LEU 106 -10.723 15.286 1.793 821 HD23 LEU 106 HD23 LEU 106 -11.139 14.910 0.122 Start of MODEL 13 1 H GLY -4 HT1 GLY -4 5.575 -23.343 -10.915 2 HA2 GLY -4 HA1 GLY -4 4.859 -21.157 -10.202 3 HA3 GLY -4 HA2 GLY -4 3.938 -22.430 -9.414 4 H ILE -3 HN ILE -3 3.861 -20.055 -8.219 5 HA ILE -3 HA ILE -3 5.902 -20.089 -6.124 6 HB ILE -3 HB ILE -3 4.905 -17.879 -5.446 7 HG12 ILE -3 HG12 ILE -3 3.474 -18.160 -8.099 8 HG13 ILE -3 HG11 ILE -3 2.708 -18.147 -6.515 9 HG21 ILE -3 HG21 ILE -3 6.007 -16.640 -7.255 10 HG22 ILE -3 HG22 ILE -3 6.040 -18.109 -8.227 11 HG23 ILE -3 HG23 ILE -3 6.960 -18.026 -6.727 12 HD11 ILE -3 HD11 ILE -3 3.470 -15.853 -6.175 13 HD12 ILE -3 HD12 ILE -3 2.471 -16.006 -7.619 14 HD13 ILE -3 HD13 ILE -3 4.222 -15.871 -7.769 15 H ASP -2 HN ASP -2 5.477 -20.889 -4.202 16 HA ASP -2 HA ASP -2 2.933 -22.004 -3.564 17 HB2 ASP -2 HB2 ASP -2 5.375 -21.569 -1.824 18 HB3 ASP -2 HB1 ASP -2 3.990 -22.560 -1.397 19 HA PRO -1 HA PRO -1 0.696 -18.794 -1.488 20 HB2 PRO -1 HB2 PRO -1 0.618 -19.941 1.115 21 HB3 PRO -1 HB1 PRO -1 -0.636 -20.007 -0.124 22 HG2 PRO -1 HG2 PRO -1 1.426 -22.018 0.591 23 HG3 PRO -1 HG1 PRO -1 -0.196 -22.255 -0.084 24 HD2 PRO -1 HD2 PRO -1 1.996 -22.578 -1.583 25 HD3 PRO -1 HD1 PRO -1 0.519 -21.858 -2.258 26 H PHE 0 HN PHE 0 3.315 -20.193 0.427 27 HA PHE 0 HA PHE 0 3.826 -18.091 2.158 28 HB2 PHE 0 HB2 PHE 0 5.862 -19.977 0.956 29 HB3 PHE 0 HB1 PHE 0 6.022 -19.089 2.467 30 HD1 PHE 0 HD1 PHE 0 4.859 -19.797 4.456 31 HD2 PHE 0 HD2 PHE 0 4.417 -21.917 0.796 32 HE1 PHE 0 HE1 PHE 0 3.850 -21.683 5.674 33 HE2 PHE 0 HE2 PHE 0 3.403 -23.802 2.004 34 HZ PHE 0 HZ PHE 0 3.121 -23.688 4.447 35 H THR 1 HN THR 1 5.413 -18.782 -0.962 36 HA THR 1 HA THR 1 6.853 -16.302 -0.892 37 HB THR 1 HB THR 1 7.341 -17.067 -3.364 38 HG1 THR 1 HG1 THR 1 7.197 -19.642 -2.737 39 HG21 THR 1 HG21 THR 1 9.168 -18.466 -2.533 40 HG22 THR 1 HG22 THR 1 8.375 -18.580 -0.962 41 HG23 THR 1 HG23 THR 1 8.976 -17.024 -1.535 42 H LEU 2 HN LEU 2 3.816 -17.379 -2.107 43 HA LEU 2 HA LEU 2 3.330 -15.505 -4.129 44 HB2 LEU 2 HB2 LEU 2 1.848 -17.368 -3.794 45 HB3 LEU 2 HB1 LEU 2 1.474 -16.842 -2.165 46 HG LEU 2 HG LEU 2 0.398 -14.795 -3.171 47 HD11 LEU 2 HD11 LEU 2 0.704 -16.377 -5.717 48 HD12 LEU 2 HD12 LEU 2 1.494 -14.846 -5.340 49 HD13 LEU 2 HD13 LEU 2 -0.258 -14.913 -5.519 50 HD21 LEU 2 HD21 LEU 2 -0.746 -17.485 -3.911 51 HD22 LEU 2 HD22 LEU 2 -1.652 -15.978 -3.787 52 HD23 LEU 2 HD23 LEU 2 -0.908 -16.679 -2.351 53 H ASN 3 HN ASN 3 2.877 -15.301 -0.626 54 HA ASN 3 HA ASN 3 1.729 -12.702 -0.670 55 HB2 ASN 3 HB2 ASN 3 3.020 -14.311 1.528 56 HB3 ASN 3 HB1 ASN 3 2.403 -12.684 1.793 57 HD21 ASN 3 HD21 ASN 3 1.605 -15.994 1.245 58 HD22 ASN 3 HD22 ASN 3 -0.097 -15.847 1.511 59 H HIS 4 HN HIS 4 4.963 -13.907 -0.773 60 HA HIS 4 HA HIS 4 6.189 -11.401 -0.067 61 HB2 HIS 4 HB2 HIS 4 7.260 -13.662 0.286 62 HB3 HIS 4 HB1 HIS 4 7.487 -13.749 -1.456 63 HD1 HIS 4 HD1 HIS 4 9.443 -12.466 -2.450 64 HD2 HIS 4 HD2 HIS 4 8.843 -11.666 1.585 65 HE1 HIS 4 HE1 HIS 4 11.453 -11.152 -1.713 66 HE2 HIS 4 HE2 HIS 4 11.002 -10.560 0.692 67 H GLN 5 HN GLN 5 5.275 -13.093 -2.998 68 HA GLN 5 HA GLN 5 6.638 -11.473 -4.854 69 HB2 GLN 5 HB2 GLN 5 4.089 -13.071 -5.128 70 HB3 GLN 5 HB1 GLN 5 4.901 -12.288 -6.479 71 HG2 GLN 5 HG2 GLN 5 6.102 -14.407 -4.712 72 HG3 GLN 5 HG1 GLN 5 5.432 -14.669 -6.321 73 HE21 GLN 5 HE21 GLN 5 8.140 -15.081 -5.276 74 HE22 GLN 5 HE22 GLN 5 9.184 -14.158 -6.300 75 H VAL 6 HN VAL 6 3.249 -11.340 -3.756 76 HA VAL 6 HA VAL 6 2.668 -8.919 -5.091 77 HB VAL 6 HB VAL 6 0.910 -10.460 -4.330 78 HG11 VAL 6 HG11 VAL 6 1.608 -9.523 -1.553 79 HG12 VAL 6 HG12 VAL 6 1.862 -11.144 -2.202 80 HG13 VAL 6 HG13 VAL 6 0.224 -10.527 -1.987 81 HG21 VAL 6 HG21 VAL 6 0.304 -8.164 -4.802 82 HG22 VAL 6 HG22 VAL 6 0.697 -7.696 -3.148 83 HG23 VAL 6 HG23 VAL 6 -0.658 -8.781 -3.458 84 H MET 7 HN MET 7 4.192 -9.638 -2.054 85 HA MET 7 HA MET 7 3.917 -7.022 -0.940 86 HB2 MET 7 HB2 MET 7 4.352 -9.166 0.355 87 HB3 MET 7 HB1 MET 7 6.016 -9.057 -0.205 88 HG2 MET 7 HG2 MET 7 5.745 -8.151 2.042 89 HG3 MET 7 HG1 MET 7 6.277 -6.921 0.896 90 HE1 MET 7 HE1 MET 7 5.040 -6.099 3.761 91 HE2 MET 7 HE2 MET 7 4.115 -4.713 3.177 92 HE3 MET 7 HE3 MET 7 5.705 -5.059 2.505 93 H ASP 8 HN ASP 8 6.328 -8.678 -2.891 94 HA ASP 8 HA ASP 8 8.190 -6.500 -2.847 95 HB2 ASP 8 HB2 ASP 8 8.883 -8.831 -3.320 96 HB3 ASP 8 HB1 ASP 8 7.958 -8.786 -4.818 97 H GLN 9 HN GLN 9 5.470 -7.467 -4.787 98 HA GLN 9 HA GLN 9 5.697 -5.720 -6.949 99 HB2 GLN 9 HB2 GLN 9 3.999 -7.418 -6.942 100 HB3 GLN 9 HB1 GLN 9 3.272 -6.764 -5.482 101 HG2 GLN 9 HG2 GLN 9 2.699 -4.714 -6.762 102 HG3 GLN 9 HG1 GLN 9 3.290 -5.515 -8.216 103 HE21 GLN 9 HE21 GLN 9 0.613 -4.540 -7.472 104 HE22 GLN 9 HE22 GLN 9 -0.438 -5.901 -7.659 105 H VAL 10 HN VAL 10 3.887 -5.212 -3.906 106 HA VAL 10 HA VAL 10 3.405 -2.468 -4.408 107 HB VAL 10 HB VAL 10 1.983 -3.694 -2.867 108 HG11 VAL 10 HG11 VAL 10 4.404 -3.894 -1.087 109 HG12 VAL 10 HG12 VAL 10 3.592 -5.224 -1.913 110 HG13 VAL 10 HG13 VAL 10 2.760 -4.343 -0.632 111 HG21 VAL 10 HG21 VAL 10 2.100 -1.300 -2.548 112 HG22 VAL 10 HG22 VAL 10 3.500 -1.483 -1.489 113 HG23 VAL 10 HG23 VAL 10 1.929 -2.105 -0.986 114 H PHE 11 HN PHE 11 6.033 -4.192 -2.860 115 HA PHE 11 HA PHE 11 7.331 -2.043 -1.620 116 HB2 PHE 11 HB2 PHE 11 8.019 -4.331 -1.196 117 HB3 PHE 11 HB1 PHE 11 8.483 -4.542 -2.880 118 HD1 PHE 11 HD1 PHE 11 9.292 -2.604 0.178 119 HD2 PHE 11 HD2 PHE 11 10.652 -4.074 -3.576 120 HE1 PHE 11 HE1 PHE 11 11.575 -1.870 0.721 121 HE2 PHE 11 HE2 PHE 11 12.937 -3.340 -3.040 122 HZ PHE 11 HZ PHE 11 13.404 -2.245 -0.897 123 H ASP 12 HN ASP 12 7.764 -3.364 -4.909 124 HA ASP 12 HA ASP 12 9.689 -1.490 -5.742 125 HB2 ASP 12 HB2 ASP 12 9.160 -3.580 -6.979 126 HB3 ASP 12 HB1 ASP 12 7.614 -2.883 -7.454 127 H GLN 13 HN GLN 13 6.192 -1.438 -5.731 128 HA GLN 13 HA GLN 13 5.784 0.935 -7.169 129 HB2 GLN 13 HB2 GLN 13 3.986 -0.656 -6.655 130 HB3 GLN 13 HB1 GLN 13 4.123 -0.271 -4.946 131 HG2 GLN 13 HG2 GLN 13 2.231 0.868 -5.870 132 HG3 GLN 13 HG1 GLN 13 3.469 2.050 -5.449 133 HE21 GLN 13 HE21 GLN 13 2.759 3.594 -6.856 134 HE22 GLN 13 HE22 GLN 13 2.875 3.444 -8.576 135 H VAL 14 HN VAL 14 5.916 0.408 -3.628 136 HA VAL 14 HA VAL 14 5.724 3.176 -3.035 137 HB VAL 14 HB VAL 14 6.383 2.575 -0.728 138 HG11 VAL 14 HG11 VAL 14 4.295 0.789 -1.965 139 HG12 VAL 14 HG12 VAL 14 4.053 2.442 -1.396 140 HG13 VAL 14 HG13 VAL 14 4.437 1.161 -0.246 141 HG21 VAL 14 HG21 VAL 14 6.682 0.221 -0.124 142 HG22 VAL 14 HG22 VAL 14 7.964 0.795 -1.190 143 HG23 VAL 14 HG23 VAL 14 6.664 -0.209 -1.834 144 H GLU 15 HN GLU 15 8.461 1.016 -3.532 145 HA GLU 15 HA GLU 15 10.506 2.702 -2.614 146 HB2 GLU 15 HB2 GLU 15 10.936 0.374 -3.189 147 HB3 GLU 15 HB1 GLU 15 10.535 0.687 -4.874 148 HG2 GLU 15 HG2 GLU 15 12.458 2.200 -5.036 149 HG3 GLU 15 HG1 GLU 15 12.867 1.842 -3.361 150 H HIS 16 HN HIS 16 9.032 2.387 -5.819 151 HA HIS 16 HA HIS 16 10.564 4.363 -7.103 152 HB2 HIS 16 HB2 HIS 16 9.060 2.626 -8.188 153 HB3 HIS 16 HB1 HIS 16 7.700 3.656 -7.761 154 HD1 HIS 16 HD1 HIS 16 10.107 3.066 -10.390 155 HD2 HIS 16 HD2 HIS 16 7.904 6.322 -9.035 156 HE1 HIS 16 HE1 HIS 16 10.154 4.742 -12.263 157 HE2 HIS 16 HE2 HIS 16 8.713 6.650 -11.470 158 H GLN 17 HN GLN 17 7.558 4.512 -5.271 159 HA GLN 17 HA GLN 17 6.965 7.221 -5.833 160 HB2 GLN 17 HB2 GLN 17 6.147 5.489 -3.495 161 HB3 GLN 17 HB1 GLN 17 5.458 7.065 -3.862 162 HG2 GLN 17 HG2 GLN 17 5.359 4.654 -5.664 163 HG3 GLN 17 HG1 GLN 17 4.044 5.223 -4.637 164 HE21 GLN 17 HE21 GLN 17 4.294 4.921 -7.584 165 HE22 GLN 17 HE22 GLN 17 3.876 6.469 -8.232 166 H ILE 18 HN ILE 18 8.662 5.661 -3.121 167 HA ILE 18 HA ILE 18 9.199 8.014 -1.671 168 HB ILE 18 HB ILE 18 10.761 5.425 -1.776 169 HG12 ILE 18 HG12 ILE 18 8.753 6.465 0.237 170 HG13 ILE 18 HG11 ILE 18 8.419 5.244 -0.986 171 HG21 ILE 18 HG21 ILE 18 12.185 7.229 -0.975 172 HG22 ILE 18 HG22 ILE 18 11.766 6.139 0.348 173 HG23 ILE 18 HG23 ILE 18 10.955 7.698 0.198 174 HD11 ILE 18 HD11 ILE 18 8.789 4.238 1.188 175 HD12 ILE 18 HD12 ILE 18 10.384 4.984 1.276 176 HD13 ILE 18 HD13 ILE 18 10.050 3.758 0.052 177 H ALA 19 HN ALA 19 11.113 6.284 -4.116 178 HA ALA 19 HA ALA 19 13.324 8.022 -4.129 179 HB1 ALA 19 HB1 ALA 19 13.340 5.788 -5.148 180 HB2 ALA 19 HB2 ALA 19 13.875 7.031 -6.279 181 HB3 ALA 19 HB3 ALA 19 12.247 6.363 -6.407 182 H GLN 20 HN GLN 20 10.225 8.155 -5.761 183 HA GLN 20 HA GLN 20 10.824 10.316 -7.489 184 HB2 GLN 20 HB2 GLN 20 8.898 8.894 -7.897 185 HB3 GLN 20 HB1 GLN 20 8.188 9.360 -6.358 186 HG2 GLN 20 HG2 GLN 20 7.093 10.511 -8.172 187 HG3 GLN 20 HG1 GLN 20 7.967 11.657 -7.159 188 HE21 GLN 20 HE21 GLN 20 8.110 13.193 -8.749 189 HE22 GLN 20 HE22 GLN 20 9.137 13.020 -10.131 190 H VAL 21 HN VAL 21 9.246 10.169 -4.303 191 HA VAL 21 HA VAL 21 8.763 12.901 -3.991 192 HB VAL 21 HB VAL 21 9.369 10.856 -1.847 193 HG11 VAL 21 HG11 VAL 21 8.201 12.379 -0.321 194 HG12 VAL 21 HG12 VAL 21 8.071 13.570 -1.616 195 HG13 VAL 21 HG13 VAL 21 9.656 13.116 -0.991 196 HG21 VAL 21 HG21 VAL 21 7.461 10.222 -3.192 197 HG22 VAL 21 HG22 VAL 21 6.761 11.828 -3.006 198 HG23 VAL 21 HG23 VAL 21 6.913 10.766 -1.607 199 H LEU 22 HN LEU 22 11.569 10.972 -2.979 200 HA LEU 22 HA LEU 22 13.036 13.064 -1.815 201 HB2 LEU 22 HB2 LEU 22 14.044 10.568 -3.188 202 HB3 LEU 22 HB1 LEU 22 15.005 11.604 -2.150 203 HG LEU 22 HG LEU 22 12.578 10.040 -1.262 204 HD11 LEU 22 HD11 LEU 22 14.194 8.631 -0.078 205 HD12 LEU 22 HD12 LEU 22 15.515 9.526 -0.829 206 HD13 LEU 22 HD13 LEU 22 14.423 8.568 -1.826 207 HD21 LEU 22 HD21 LEU 22 14.596 11.648 0.302 208 HD22 LEU 22 HD22 LEU 22 13.328 10.639 0.997 209 HD23 LEU 22 HD23 LEU 22 12.900 12.062 0.048 210 H GLY 23 HN GLY 23 13.005 11.803 -5.126 211 HA2 GLY 23 HA2 GLY 23 15.066 13.486 -6.106 212 HA3 GLY 23 HA1 GLY 23 13.889 12.621 -7.079 213 H ALA 24 HN ALA 24 11.550 13.814 -6.015 214 HA ALA 24 HA ALA 24 11.397 16.184 -7.546 215 HB1 ALA 24 HB1 ALA 24 9.158 16.431 -6.570 216 HB2 ALA 24 HB2 ALA 24 9.528 15.147 -5.419 217 HB3 ALA 24 HB3 ALA 24 9.449 14.789 -7.144 218 H LYS 25 HN LYS 25 11.913 15.566 -4.127 219 HA LYS 25 HA LYS 25 11.826 18.307 -3.340 220 HB2 LYS 25 HB2 LYS 25 11.474 16.291 -1.846 221 HB3 LYS 25 HB1 LYS 25 13.206 16.018 -1.928 222 HG2 LYS 25 HG2 LYS 25 12.121 18.641 -0.995 223 HG3 LYS 25 HG1 LYS 25 12.215 17.262 0.100 224 HD2 LYS 25 HD2 LYS 25 14.637 17.092 -0.397 225 HD3 LYS 25 HD1 LYS 25 14.506 18.546 -1.388 226 HE2 LYS 25 HE2 LYS 25 13.768 19.816 0.563 227 HE3 LYS 25 HE1 LYS 25 13.866 18.362 1.553 228 HZ1 LYS 25 HZ1 LYS 25 16.236 18.276 1.158 229 HZ2 LYS 25 HZ2 LYS 25 15.814 19.777 1.813 230 HZ3 LYS 25 HZ3 LYS 25 16.153 19.642 0.164 231 H GLY 26 HN GLY 26 14.366 16.025 -4.247 232 HA2 GLY 26 HA2 GLY 26 16.199 16.946 -5.597 233 HA3 GLY 26 HA1 GLY 26 16.200 18.327 -4.511 234 H GLY 27 HN GLY 27 15.708 15.304 -3.013 235 HA2 GLY 27 HA2 GLY 27 18.367 15.520 -1.802 236 HA3 GLY 27 HA1 GLY 27 17.006 14.614 -1.156 237 HA PRO 28 HA PRO 28 19.939 11.782 -3.539 238 HB2 PRO 28 HB2 PRO 28 20.990 10.421 -1.452 239 HB3 PRO 28 HB1 PRO 28 21.708 11.915 -2.066 240 HG2 PRO 28 HG2 PRO 28 19.940 11.498 0.310 241 HG3 PRO 28 HG1 PRO 28 21.381 12.517 0.152 242 HD2 PRO 28 HD2 PRO 28 18.838 13.490 0.015 243 HD3 PRO 28 HD1 PRO 28 20.210 14.233 -0.829 244 H LEU 29 HN LEU 29 19.370 9.689 -4.047 245 HA LEU 29 HA LEU 29 16.851 8.777 -3.032 246 HB2 LEU 29 HB2 LEU 29 18.767 7.385 -4.907 247 HB3 LEU 29 HB1 LEU 29 17.086 6.964 -4.642 248 HG LEU 29 HG LEU 29 18.111 9.491 -5.934 249 HD11 LEU 29 HD11 LEU 29 17.013 8.611 -7.936 250 HD12 LEU 29 HD12 LEU 29 16.609 7.134 -7.059 251 HD13 LEU 29 HD13 LEU 29 18.296 7.544 -7.368 252 HD21 LEU 29 HD21 LEU 29 15.279 8.600 -5.411 253 HD22 LEU 29 HD22 LEU 29 15.758 10.004 -6.364 254 HD23 LEU 29 HD23 LEU 29 16.107 9.951 -4.637 255 H VAL 30 HN VAL 30 16.766 7.892 -1.106 256 HA VAL 30 HA VAL 30 18.998 6.519 0.073 257 HB VAL 30 HB VAL 30 16.177 6.750 1.131 258 HG11 VAL 30 HG11 VAL 30 18.789 6.253 2.550 259 HG12 VAL 30 HG12 VAL 30 17.523 5.061 2.259 260 HG13 VAL 30 HG13 VAL 30 17.213 6.436 3.320 261 HG21 VAL 30 HG21 VAL 30 17.065 8.965 0.638 262 HG22 VAL 30 HG22 VAL 30 18.516 8.600 1.571 263 HG23 VAL 30 HG23 VAL 30 16.952 8.705 2.379 264 H ALA 31 HN ALA 31 19.034 4.345 0.720 265 HA ALA 31 HA ALA 31 17.870 2.500 -1.098 266 HB1 ALA 31 HB1 ALA 31 20.044 2.091 -0.065 267 HB2 ALA 31 HB2 ALA 31 18.920 0.778 0.287 268 HB3 ALA 31 HB3 ALA 31 19.279 1.985 1.520 269 H VAL 32 HN VAL 32 15.768 2.091 -1.082 270 HA VAL 32 HA VAL 32 14.174 2.375 1.289 271 HB VAL 32 HB VAL 32 13.397 1.301 -1.430 272 HG11 VAL 32 HG11 VAL 32 11.861 0.591 0.335 273 HG12 VAL 32 HG12 VAL 32 11.100 1.761 -0.743 274 HG13 VAL 32 HG13 VAL 32 11.669 2.268 0.848 275 HG21 VAL 32 HG21 VAL 32 14.200 3.596 -1.563 276 HG22 VAL 32 HG22 VAL 32 13.106 4.070 -0.263 277 HG23 VAL 32 HG23 VAL 32 12.456 3.535 -1.813 278 H GLU 33 HN GLU 33 13.948 0.881 2.772 279 HA GLU 33 HA GLU 33 14.041 -1.956 1.988 280 HB2 GLU 33 HB2 GLU 33 14.775 -0.805 4.683 281 HB3 GLU 33 HB1 GLU 33 14.949 -2.473 4.169 282 HG2 GLU 33 HG2 GLU 33 16.658 -1.852 2.588 283 HG3 GLU 33 HG1 GLU 33 16.436 -0.146 2.979 284 H ILE 34 HN ILE 34 12.506 -3.316 2.986 285 HA ILE 34 HA ILE 34 9.999 -1.989 3.223 286 HB ILE 34 HB ILE 34 10.344 -4.212 2.112 287 HG12 ILE 34 HG12 ILE 34 8.204 -5.189 2.985 288 HG13 ILE 34 HG11 ILE 34 8.237 -3.981 4.266 289 HG21 ILE 34 HG21 ILE 34 10.456 -5.220 4.950 290 HG22 ILE 34 HG22 ILE 34 11.765 -5.268 3.770 291 HG23 ILE 34 HG23 ILE 34 10.307 -6.227 3.509 292 HD11 ILE 34 HD11 ILE 34 8.244 -2.229 2.471 293 HD12 ILE 34 HD12 ILE 34 6.774 -3.186 2.586 294 HD13 ILE 34 HD13 ILE 34 7.944 -3.522 1.313 295 H ASP 35 HN ASP 35 12.299 -3.178 5.530 296 HA ASP 35 HA ASP 35 10.341 -2.923 7.701 297 HB2 ASP 35 HB2 ASP 35 11.866 -4.929 7.579 298 HB3 ASP 35 HB1 ASP 35 13.216 -3.847 7.889 299 H SER 36 HN SER 36 12.094 -0.871 6.006 300 HA SER 36 HA SER 36 13.392 0.589 8.142 301 HB2 SER 36 HB2 SER 36 14.405 0.498 5.896 302 HB3 SER 36 HB1 SER 36 12.999 1.319 5.226 303 HG SER 36 HG SER 36 15.105 2.483 6.030 304 H ARG 37 HN ARG 37 12.909 2.895 8.460 305 HA ARG 37 HA ARG 37 9.996 3.291 8.541 306 HB2 ARG 37 HB2 ARG 37 12.192 4.569 10.185 307 HB3 ARG 37 HB1 ARG 37 10.472 4.892 10.364 308 HG2 ARG 37 HG2 ARG 37 10.085 2.584 11.016 309 HG3 ARG 37 HG1 ARG 37 11.796 2.221 10.788 310 HD2 ARG 37 HD2 ARG 37 10.674 4.205 12.761 311 HD3 ARG 37 HD1 ARG 37 11.218 2.576 13.151 312 HE ARG 37 HE ARG 37 13.464 3.304 12.413 313 HH11 ARG 37 HH11 ARG 37 11.112 5.722 13.345 314 HH12 ARG 37 HH12 ARG 37 12.306 6.892 13.806 315 HH21 ARG 37 HH21 ARG 37 15.047 4.845 13.022 316 HH22 ARG 37 HH22 ARG 37 14.540 6.394 13.627 317 H PHE 38 HN PHE 38 9.074 5.148 7.768 318 HA PHE 38 HA PHE 38 10.284 6.327 5.525 319 HB2 PHE 38 HB2 PHE 38 7.876 7.233 7.112 320 HB3 PHE 38 HB1 PHE 38 8.324 7.850 5.526 321 HD1 PHE 38 HD1 PHE 38 6.612 5.288 7.338 322 HD2 PHE 38 HD2 PHE 38 8.354 6.246 3.577 323 HE1 PHE 38 HE1 PHE 38 5.333 3.469 6.287 324 HE2 PHE 38 HE2 PHE 38 7.075 4.430 2.518 325 HZ PHE 38 HZ PHE 38 5.523 3.082 3.848 326 H SER 39 HN SER 39 9.828 7.506 8.825 327 HA SER 39 HA SER 39 10.834 10.108 8.304 328 HB2 SER 39 HB2 SER 39 9.375 9.517 10.251 329 HB3 SER 39 HB1 SER 39 10.745 8.664 10.963 330 HG SER 39 HG SER 39 11.611 11.055 10.290 331 H ASP 40 HN ASP 40 12.310 7.052 8.884 332 HA ASP 40 HA ASP 40 14.895 8.129 9.585 333 HB2 ASP 40 HB2 ASP 40 14.270 5.931 10.427 334 HB3 ASP 40 HB1 ASP 40 14.035 5.338 8.786 335 H LEU 41 HN LEU 41 13.233 6.984 6.725 336 HA LEU 41 HA LEU 41 15.462 7.011 4.970 337 HB2 LEU 41 HB2 LEU 41 12.506 7.252 4.417 338 HB3 LEU 41 HB1 LEU 41 13.725 7.053 3.176 339 HG LEU 41 HG LEU 41 13.195 5.047 5.369 340 HD11 LEU 41 HD11 LEU 41 11.270 5.218 3.894 341 HD12 LEU 41 HD12 LEU 41 12.133 3.706 3.618 342 HD13 LEU 41 HD13 LEU 41 12.318 5.044 2.485 343 HD21 LEU 41 HD21 LEU 41 15.464 4.956 4.510 344 HD22 LEU 41 HD22 LEU 41 14.855 4.900 2.856 345 HD23 LEU 41 HD23 LEU 41 14.542 3.559 3.958 346 H GLY 42 HN GLY 42 13.543 9.501 6.330 347 HA2 GLY 42 HA2 GLY 42 14.575 11.735 6.179 348 HA3 GLY 42 HA1 GLY 42 14.785 11.426 4.462 349 H LEU 43 HN LEU 43 11.862 10.150 5.327 350 HA LEU 43 HA LEU 43 10.436 12.437 4.244 351 HB2 LEU 43 HB2 LEU 43 9.481 9.689 5.068 352 HB3 LEU 43 HB1 LEU 43 8.434 10.932 4.420 353 HG LEU 43 HG LEU 43 8.873 9.437 2.648 354 HD11 LEU 43 HD11 LEU 43 10.675 11.824 2.316 355 HD12 LEU 43 HD12 LEU 43 8.949 11.747 1.967 356 HD13 LEU 43 HD13 LEU 43 10.083 10.795 1.013 357 HD21 LEU 43 HD21 LEU 43 11.125 8.806 1.921 358 HD22 LEU 43 HD22 LEU 43 10.784 8.267 3.565 359 HD23 LEU 43 HD23 LEU 43 11.806 9.679 3.293 360 H SER 44 HN SER 44 9.776 14.005 5.557 361 HA SER 44 HA SER 44 9.684 13.617 8.399 362 HB2 SER 44 HB2 SER 44 10.427 15.747 7.270 363 HB3 SER 44 HB1 SER 44 8.748 16.022 6.813 364 HG SER 44 HG SER 44 8.687 17.000 8.680 365 H SER 45 HN SER 45 7.585 14.886 9.388 366 HA SER 45 HA SER 45 5.577 12.997 9.419 367 HB2 SER 45 HB2 SER 45 5.228 15.937 10.020 368 HB3 SER 45 HB1 SER 45 4.296 14.597 10.687 369 HG SER 45 HG SER 45 5.764 14.951 12.225 370 H LEU 46 HN LEU 46 5.557 16.123 7.699 371 HA LEU 46 HA LEU 46 3.033 15.730 6.482 372 HB2 LEU 46 HB2 LEU 46 4.055 17.943 6.738 373 HB3 LEU 46 HB1 LEU 46 5.333 17.487 5.629 374 HG LEU 46 HG LEU 46 3.623 17.239 3.834 375 HD11 LEU 46 HD11 LEU 46 1.415 18.242 4.188 376 HD12 LEU 46 HD12 LEU 46 1.789 18.449 5.898 377 HD13 LEU 46 HD13 LEU 46 1.669 16.829 5.211 378 HD21 LEU 46 HD21 LEU 46 4.937 19.266 4.014 379 HD22 LEU 46 HD22 LEU 46 3.789 19.932 5.174 380 HD23 LEU 46 HD23 LEU 46 3.291 19.648 3.507 381 H ASP 47 HN ASP 47 6.341 15.103 5.428 382 HA ASP 47 HA ASP 47 5.810 14.443 2.760 383 HB2 ASP 47 HB2 ASP 47 7.983 13.351 4.559 384 HB3 ASP 47 HB1 ASP 47 7.949 13.208 2.808 385 H LEU 48 HN LEU 48 5.840 12.482 5.686 386 HA LEU 48 HA LEU 48 5.450 9.972 4.519 387 HB2 LEU 48 HB2 LEU 48 5.865 10.805 7.016 388 HB3 LEU 48 HB1 LEU 48 4.125 10.628 7.108 389 HG LEU 48 HG LEU 48 6.039 8.417 6.346 390 HD11 LEU 48 HD11 LEU 48 4.610 8.967 8.942 391 HD12 LEU 48 HD12 LEU 48 6.348 9.062 8.660 392 HD13 LEU 48 HD13 LEU 48 5.524 7.506 8.566 393 HD21 LEU 48 HD21 LEU 48 3.807 8.141 5.384 394 HD22 LEU 48 HD22 LEU 48 3.092 8.340 6.984 395 HD23 LEU 48 HD23 LEU 48 4.120 6.949 6.645 396 H ALA 49 HN ALA 49 3.088 12.343 5.723 397 HA ALA 49 HA ALA 49 0.781 10.856 5.095 398 HB1 ALA 49 HB1 ALA 49 1.082 13.848 5.324 399 HB2 ALA 49 HB2 ALA 49 0.776 12.737 6.660 400 HB3 ALA 49 HB3 ALA 49 -0.432 12.946 5.392 401 H THR 50 HN THR 50 2.591 13.292 3.271 402 HA THR 50 HA THR 50 0.832 13.415 1.060 403 HB THR 50 HB THR 50 3.809 13.955 1.107 404 HG1 THR 50 HG1 THR 50 1.870 15.168 2.417 405 HG21 THR 50 HG21 THR 50 1.650 14.967 -0.750 406 HG22 THR 50 HG22 THR 50 2.869 13.762 -1.160 407 HG23 THR 50 HG23 THR 50 3.353 15.419 -0.796 408 H LEU 51 HN LEU 51 3.640 11.401 1.794 409 HA LEU 51 HA LEU 51 3.836 10.079 -0.675 410 HB2 LEU 51 HB2 LEU 51 5.589 9.965 1.008 411 HB3 LEU 51 HB1 LEU 51 4.518 9.116 2.103 412 HG LEU 51 HG LEU 51 4.463 7.201 0.541 413 HD11 LEU 51 HD11 LEU 51 4.894 8.402 -1.537 414 HD12 LEU 51 HD12 LEU 51 6.063 7.103 -1.303 415 HD13 LEU 51 HD13 LEU 51 6.528 8.775 -0.993 416 HD21 LEU 51 HD21 LEU 51 7.229 8.081 1.351 417 HD22 LEU 51 HD22 LEU 51 6.732 6.430 0.980 418 HD23 LEU 51 HD23 LEU 51 6.061 7.258 2.384 419 H ILE 52 HN ILE 52 1.941 9.374 2.222 420 HA ILE 52 HA ILE 52 0.757 6.981 1.389 421 HB ILE 52 HB ILE 52 -0.400 9.182 3.115 422 HG12 ILE 52 HG12 ILE 52 1.038 6.610 3.809 423 HG13 ILE 52 HG11 ILE 52 1.676 8.241 3.995 424 HG21 ILE 52 HG21 ILE 52 -1.300 6.314 2.885 425 HG22 ILE 52 HG22 ILE 52 -2.142 7.701 2.200 426 HG23 ILE 52 HG23 ILE 52 -1.976 7.548 3.949 427 HD11 ILE 52 HD11 ILE 52 0.951 7.336 6.120 428 HD12 ILE 52 HD12 ILE 52 -0.671 7.078 5.476 429 HD13 ILE 52 HD13 ILE 52 -0.044 8.716 5.660 430 H SER 53 HN SER 53 -0.253 10.347 0.897 431 HA SER 53 HA SER 53 -2.612 9.771 -0.530 432 HB2 SER 53 HB2 SER 53 -2.022 11.969 0.542 433 HB3 SER 53 HB1 SER 53 -0.908 12.257 -0.794 434 HG SER 53 HG SER 53 -3.626 11.626 -1.265 435 H ASN 54 HN ASN 54 0.723 9.777 -1.482 436 HA ASN 54 HA ASN 54 0.331 10.022 -4.281 437 HB2 ASN 54 HB2 ASN 54 2.559 8.710 -2.710 438 HB3 ASN 54 HB1 ASN 54 2.577 8.895 -4.461 439 HD21 ASN 54 HD21 ASN 54 4.430 9.971 -2.542 440 HD22 ASN 54 HD22 ASN 54 4.379 11.693 -2.705 441 H LEU 55 HN LEU 55 0.612 7.201 -2.134 442 HA LEU 55 HA LEU 55 0.182 5.291 -4.189 443 HB2 LEU 55 HB2 LEU 55 -0.023 5.179 -1.196 444 HB3 LEU 55 HB1 LEU 55 -0.528 3.819 -2.177 445 HG LEU 55 HG LEU 55 1.691 3.394 -1.402 446 HD11 LEU 55 HD11 LEU 55 1.846 4.249 -4.288 447 HD12 LEU 55 HD12 LEU 55 1.183 2.723 -3.707 448 HD13 LEU 55 HD13 LEU 55 2.893 3.086 -3.478 449 HD21 LEU 55 HD21 LEU 55 3.580 4.874 -1.900 450 HD22 LEU 55 HD22 LEU 55 2.381 5.659 -0.872 451 HD23 LEU 55 HD23 LEU 55 2.466 6.055 -2.588 452 H GLU 56 HN GLU 56 -1.936 7.045 -2.010 453 HA GLU 56 HA GLU 56 -4.392 5.912 -2.560 454 HB2 GLU 56 HB2 GLU 56 -4.253 7.649 -0.939 455 HB3 GLU 56 HB1 GLU 56 -3.568 8.776 -2.101 456 HG2 GLU 56 HG2 GLU 56 -5.733 8.745 -3.317 457 HG3 GLU 56 HG1 GLU 56 -6.395 7.752 -2.019 458 H ALA 57 HN ALA 57 -2.696 8.447 -4.386 459 HA ALA 57 HA ALA 57 -4.629 8.732 -6.419 460 HB1 ALA 57 HB1 ALA 57 -1.668 9.294 -6.527 461 HB2 ALA 57 HB2 ALA 57 -2.916 10.413 -5.982 462 HB3 ALA 57 HB3 ALA 57 -2.875 9.889 -7.666 463 H VAL 58 HN VAL 58 -1.825 6.630 -6.096 464 HA VAL 58 HA VAL 58 -1.690 5.674 -8.721 465 HB VAL 58 HB VAL 58 -0.956 4.269 -6.148 466 HG11 VAL 58 HG11 VAL 58 0.441 2.812 -7.529 467 HG12 VAL 58 HG12 VAL 58 -0.177 3.592 -8.985 468 HG13 VAL 58 HG13 VAL 58 -1.263 2.656 -7.957 469 HG21 VAL 58 HG21 VAL 58 0.722 5.816 -8.121 470 HG22 VAL 58 HG22 VAL 58 1.324 4.968 -6.698 471 HG23 VAL 58 HG23 VAL 58 0.253 6.355 -6.510 472 H TYR 59 HN TYR 59 -3.271 4.160 -5.895 473 HA TYR 59 HA TYR 59 -4.432 2.117 -7.565 474 HB2 TYR 59 HB2 TYR 59 -4.729 2.732 -4.624 475 HB3 TYR 59 HB1 TYR 59 -5.522 1.371 -5.413 476 HD1 TYR 59 HD1 TYR 59 -4.077 -0.410 -6.471 477 HD2 TYR 59 HD2 TYR 59 -2.475 2.605 -3.936 478 HE1 TYR 59 HE1 TYR 59 -2.071 -1.785 -6.116 479 HE2 TYR 59 HE2 TYR 59 -0.460 1.240 -3.576 480 HH TYR 59 HH TYR 59 0.336 -1.396 -5.476 481 H GLY 60 HN GLY 60 -5.308 5.247 -6.662 482 HA2 GLY 60 HA2 GLY 60 -7.232 6.472 -6.931 483 HA3 GLY 60 HA1 GLY 60 -7.823 5.169 -7.957 484 H THR 61 HN THR 61 -6.789 4.598 -4.719 485 HA THR 61 HA THR 61 -9.511 4.340 -3.713 486 HB THR 61 HB THR 61 -7.660 1.991 -3.542 487 HG1 THR 61 HG1 THR 61 -8.178 2.553 -5.805 488 HG21 THR 61 HG21 THR 61 -10.656 2.207 -3.367 489 HG22 THR 61 HG22 THR 61 -9.547 2.067 -2.001 490 HG23 THR 61 HG23 THR 61 -9.702 0.738 -3.151 491 H ASP 62 HN ASP 62 -9.581 4.433 -1.518 492 HA ASP 62 HA ASP 62 -7.711 3.879 0.386 493 HB2 ASP 62 HB2 ASP 62 -6.190 5.503 -0.657 494 HB3 ASP 62 HB1 ASP 62 -7.409 6.762 -0.483 495 HA PRO 63 HA PRO 63 -11.304 5.621 2.498 496 HB2 PRO 63 HB2 PRO 63 -11.399 3.363 4.190 497 HB3 PRO 63 HB1 PRO 63 -12.443 3.677 2.802 498 HG2 PRO 63 HG2 PRO 63 -10.549 1.617 3.021 499 HG3 PRO 63 HG1 PRO 63 -11.361 2.143 1.538 500 HD2 PRO 63 HD2 PRO 63 -8.633 2.808 2.547 501 HD3 PRO 63 HD1 PRO 63 -9.205 2.607 0.878 502 H PHE 64 HN PHE 64 -10.646 7.131 3.922 503 HA PHE 64 HA PHE 64 -8.193 6.817 5.350 504 HB2 PHE 64 HB2 PHE 64 -9.376 8.977 4.371 505 HB3 PHE 64 HB1 PHE 64 -10.066 9.046 5.990 506 HD1 PHE 64 HD1 PHE 64 -8.914 10.097 7.661 507 HD2 PHE 64 HD2 PHE 64 -6.778 8.664 4.270 508 HE1 PHE 64 HE1 PHE 64 -6.858 11.148 8.515 509 HE2 PHE 64 HE2 PHE 64 -4.720 9.713 5.118 510 HZ PHE 64 HZ PHE 64 -4.721 10.925 7.190 511 H ALA 65 HN ALA 65 -11.261 5.747 5.978 512 HA ALA 65 HA ALA 65 -11.428 5.970 8.777 513 HB1 ALA 65 HB1 ALA 65 -12.400 3.727 7.006 514 HB2 ALA 65 HB2 ALA 65 -13.294 5.197 7.391 515 HB3 ALA 65 HB3 ALA 65 -12.917 4.036 8.663 516 H ASP 66 HN ASP 66 -9.609 3.858 6.659 517 HA ASP 66 HA ASP 66 -8.708 2.162 8.830 518 HB2 ASP 66 HB2 ASP 66 -9.032 1.161 6.631 519 HB3 ASP 66 HB1 ASP 66 -7.877 2.285 5.923 520 H ALA 67 HN ALA 67 -7.503 4.819 6.894 521 HA ALA 67 HA ALA 67 -4.896 4.744 8.181 522 HB1 ALA 67 HB1 ALA 67 -5.045 5.247 5.785 523 HB2 ALA 67 HB2 ALA 67 -4.325 6.581 6.687 524 HB3 ALA 67 HB3 ALA 67 -6.003 6.682 6.150 525 H VAL 68 HN VAL 68 -7.316 5.258 9.734 526 HA VAL 68 HA VAL 68 -7.581 8.009 10.325 527 HB VAL 68 HB VAL 68 -9.313 6.285 10.826 528 HG11 VAL 68 HG11 VAL 68 -7.923 4.521 11.726 529 HG12 VAL 68 HG12 VAL 68 -9.133 4.998 12.915 530 HG13 VAL 68 HG13 VAL 68 -7.466 5.543 13.089 531 HG21 VAL 68 HG21 VAL 68 -8.431 7.962 13.171 532 HG22 VAL 68 HG22 VAL 68 -10.033 7.258 12.957 533 HG23 VAL 68 HG23 VAL 68 -9.454 8.489 11.834 534 H ALA 69 HN ALA 69 -5.330 5.603 11.353 535 HA ALA 69 HA ALA 69 -4.289 7.458 13.383 536 HB1 ALA 69 HB1 ALA 69 -3.927 4.468 13.248 537 HB2 ALA 69 HB2 ALA 69 -5.037 5.321 14.319 538 HB3 ALA 69 HB3 ALA 69 -3.295 5.537 14.500 539 H ILE 70 HN ILE 70 -3.007 8.649 12.003 540 HA ILE 70 HA ILE 70 -1.219 7.594 10.102 541 HB ILE 70 HB ILE 70 -1.879 9.915 10.009 542 HG12 ILE 70 HG12 ILE 70 0.356 11.027 9.831 543 HG13 ILE 70 HG11 ILE 70 1.075 9.605 10.579 544 HG21 ILE 70 HG21 ILE 70 -2.172 10.355 12.370 545 HG22 ILE 70 HG22 ILE 70 -1.117 11.567 11.648 546 HG23 ILE 70 HG23 ILE 70 -0.428 10.270 12.624 547 HD11 ILE 70 HD11 ILE 70 -0.414 9.658 7.967 548 HD12 ILE 70 HD12 ILE 70 0.325 8.240 8.710 549 HD13 ILE 70 HD13 ILE 70 1.335 9.579 8.166 550 H THR 71 HN THR 71 -0.975 8.056 13.545 551 HA THR 71 HA THR 71 1.843 7.979 13.767 552 HB THR 71 HB THR 71 1.323 7.374 16.182 553 HG1 THR 71 HG1 THR 71 -1.054 7.887 16.560 554 HG21 THR 71 HG21 THR 71 1.687 9.680 15.448 555 HG22 THR 71 HG22 THR 71 0.438 9.606 16.688 556 HG23 THR 71 HG23 THR 71 -0.010 9.813 14.995 557 H SER 72 HN SER 72 -0.450 5.532 13.141 558 HA SER 72 HA SER 72 1.033 3.374 14.325 559 HB2 SER 72 HB2 SER 72 -1.241 3.290 12.331 560 HB3 SER 72 HB1 SER 72 -0.633 1.929 13.274 561 HG SER 72 HG SER 72 -1.127 3.738 15.046 562 H ILE 73 HN ILE 73 1.258 5.154 11.432 563 HA ILE 73 HA ILE 73 2.405 3.031 9.849 564 HB ILE 73 HB ILE 73 2.499 6.011 9.335 565 HG12 ILE 73 HG12 ILE 73 0.175 5.192 9.523 566 HG13 ILE 73 HG11 ILE 73 0.566 5.682 7.878 567 HG21 ILE 73 HG21 ILE 73 4.152 4.789 8.060 568 HG22 ILE 73 HG22 ILE 73 2.855 5.325 6.991 569 HG23 ILE 73 HG23 ILE 73 2.926 3.643 7.516 570 HD11 ILE 73 HD11 ILE 73 -0.743 3.640 7.904 571 HD12 ILE 73 HD12 ILE 73 0.480 2.854 8.904 572 HD13 ILE 73 HD13 ILE 73 0.870 3.343 7.256 573 H VAL 74 HN VAL 74 4.125 2.267 11.063 574 HA VAL 74 HA VAL 74 6.197 4.146 11.885 575 HB VAL 74 HB VAL 74 6.069 1.159 12.334 576 HG11 VAL 74 HG11 VAL 74 8.330 2.063 12.477 577 HG12 VAL 74 HG12 VAL 74 7.744 1.578 14.069 578 HG13 VAL 74 HG13 VAL 74 7.779 3.285 13.624 579 HG21 VAL 74 HG21 VAL 74 4.183 2.278 13.397 580 HG22 VAL 74 HG22 VAL 74 5.283 3.419 14.170 581 HG23 VAL 74 HG23 VAL 74 5.337 1.712 14.605 582 H THR 75 HN THR 75 6.085 1.035 10.138 583 HA THR 75 HA THR 75 8.532 1.871 8.746 584 HB THR 75 HB THR 75 8.880 -0.584 8.330 585 HG1 THR 75 HG1 THR 75 7.642 -1.817 10.103 586 HG21 THR 75 HG21 THR 75 8.755 0.293 11.217 587 HG22 THR 75 HG22 THR 75 10.080 0.611 10.098 588 HG23 THR 75 HG23 THR 75 9.714 -1.042 10.583 589 H VAL 76 HN VAL 76 8.777 0.737 6.549 590 HA VAL 76 HA VAL 76 6.737 1.665 4.858 591 HB VAL 76 HB VAL 76 8.905 -0.346 4.215 592 HG11 VAL 76 HG11 VAL 76 8.594 0.352 1.893 593 HG12 VAL 76 HG12 VAL 76 7.269 1.407 2.381 594 HG13 VAL 76 HG13 VAL 76 7.112 -0.342 2.551 595 HG21 VAL 76 HG21 VAL 76 9.863 1.709 5.065 596 HG22 VAL 76 HG22 VAL 76 8.860 2.662 3.973 597 HG23 VAL 76 HG23 VAL 76 10.120 1.614 3.322 598 H ALA 77 HN ALA 77 7.450 -1.549 6.109 599 HA ALA 77 HA ALA 77 5.816 -3.130 4.551 600 HB1 ALA 77 HB1 ALA 77 6.332 -3.472 7.500 601 HB2 ALA 77 HB2 ALA 77 7.422 -3.975 6.209 602 HB3 ALA 77 HB3 ALA 77 5.834 -4.729 6.367 603 H ASP 78 HN ASP 78 4.914 -1.084 7.264 604 HA ASP 78 HA ASP 78 2.335 -2.159 7.696 605 HB2 ASP 78 HB2 ASP 78 3.660 -0.595 9.230 606 HB3 ASP 78 HB1 ASP 78 3.112 0.716 8.192 607 H LEU 79 HN LEU 79 3.400 0.734 5.935 608 HA LEU 79 HA LEU 79 0.815 1.375 4.946 609 HB2 LEU 79 HB2 LEU 79 2.700 2.990 5.242 610 HB3 LEU 79 HB1 LEU 79 3.501 2.242 3.875 611 HG LEU 79 HG LEU 79 1.539 2.885 2.458 612 HD11 LEU 79 HD11 LEU 79 0.760 4.432 4.926 613 HD12 LEU 79 HD12 LEU 79 -0.139 3.107 4.186 614 HD13 LEU 79 HD13 LEU 79 0.047 4.635 3.328 615 HD21 LEU 79 HD21 LEU 79 2.171 5.247 2.300 616 HD22 LEU 79 HD22 LEU 79 3.582 4.199 2.448 617 HD23 LEU 79 HD23 LEU 79 3.017 5.119 3.843 618 H ALA 80 HN ALA 80 3.506 -0.508 3.742 619 HA ALA 80 HA ALA 80 2.714 -0.736 1.058 620 HB1 ALA 80 HB1 ALA 80 4.187 -2.685 0.974 621 HB2 ALA 80 HB2 ALA 80 4.275 -2.695 2.736 622 HB3 ALA 80 HB3 ALA 80 4.945 -1.341 1.827 623 H ARG 81 HN ARG 81 2.137 -2.953 3.809 624 HA ARG 81 HA ARG 81 0.540 -4.768 2.366 625 HB2 ARG 81 HB2 ARG 81 0.666 -4.132 5.313 626 HB3 ARG 81 HB1 ARG 81 -0.358 -5.398 4.655 627 HG2 ARG 81 HG2 ARG 81 1.640 -6.497 3.725 628 HG3 ARG 81 HG1 ARG 81 2.639 -5.253 4.478 629 HD2 ARG 81 HD2 ARG 81 2.589 -7.259 5.847 630 HD3 ARG 81 HD1 ARG 81 1.804 -5.919 6.679 631 HE ARG 81 HE ARG 81 -0.171 -7.339 5.320 632 HH11 ARG 81 HH11 ARG 81 2.104 -7.885 7.922 633 HH12 ARG 81 HH12 ARG 81 1.075 -9.002 8.760 634 HH21 ARG 81 HH21 ARG 81 -1.524 -8.825 6.413 635 HH22 ARG 81 HH22 ARG 81 -0.985 -9.540 7.902 636 H ALA 82 HN ALA 82 -0.192 -1.762 3.985 637 HA ALA 82 HA ALA 82 -2.976 -1.945 4.095 638 HB1 ALA 82 HB1 ALA 82 -1.682 -0.192 5.225 639 HB2 ALA 82 HB2 ALA 82 -2.979 0.480 4.239 640 HB3 ALA 82 HB3 ALA 82 -1.314 0.535 3.662 641 H TYR 83 HN TYR 83 -0.968 -0.373 1.580 642 HA TYR 83 HA TYR 83 -3.272 -0.059 -0.113 643 HB2 TYR 83 HB2 TYR 83 -0.382 0.668 -0.376 644 HB3 TYR 83 HB1 TYR 83 -1.442 0.725 -1.783 645 HD1 TYR 83 HD1 TYR 83 -0.234 2.513 0.994 646 HD2 TYR 83 HD2 TYR 83 -3.684 2.054 -1.449 647 HE1 TYR 83 HE1 TYR 83 -1.013 4.735 1.690 648 HE2 TYR 83 HE2 TYR 83 -4.471 4.276 -0.756 649 HH TYR 83 HH TYR 83 -2.516 6.536 0.716 650 H ALA 84 HN ALA 84 -1.110 -2.587 0.421 651 HA ALA 84 HA ALA 84 -1.253 -3.771 -2.174 652 HB1 ALA 84 HB1 ALA 84 0.483 -4.400 -0.555 653 HB2 ALA 84 HB2 ALA 84 -0.445 -5.798 -1.095 654 HB3 ALA 84 HB3 ALA 84 -0.754 -5.096 0.492 655 H GLN 85 HN GLN 85 -3.450 -3.384 0.388 656 HA GLN 85 HA GLN 85 -5.159 -5.553 -0.614 657 HB2 GLN 85 HB2 GLN 85 -5.329 -3.974 1.958 658 HB3 GLN 85 HB1 GLN 85 -6.443 -5.246 1.482 659 HG2 GLN 85 HG2 GLN 85 -3.496 -5.578 2.000 660 HG3 GLN 85 HG1 GLN 85 -4.803 -6.053 3.082 661 HE21 GLN 85 HE21 GLN 85 -2.706 -7.677 1.860 662 HE22 GLN 85 HE22 GLN 85 -3.517 -8.905 0.957 663 H GLN 86 HN GLN 86 -4.862 -2.118 -0.438 664 HA GLN 86 HA GLN 86 -7.695 -1.669 -0.933 665 HB2 GLN 86 HB2 GLN 86 -5.442 0.334 -0.713 666 HB3 GLN 86 HB1 GLN 86 -7.158 0.710 -0.775 667 HG2 GLN 86 HG2 GLN 86 -5.844 -0.894 1.400 668 HG3 GLN 86 HG1 GLN 86 -6.168 0.834 1.489 669 HE21 GLN 86 HE21 GLN 86 -7.476 0.559 3.286 670 HE22 GLN 86 HE22 GLN 86 -9.065 -0.118 3.179 671 H GLY 87 HN GLY 87 -8.503 -1.612 -2.913 672 HA2 GLY 87 HA2 GLY 87 -8.706 -0.666 -5.056 673 HA3 GLY 87 HA1 GLY 87 -7.001 -0.250 -5.009 674 H VAL 88 HN VAL 88 -8.137 -3.443 -4.202 675 HA VAL 88 HA VAL 88 -7.659 -4.454 -6.856 676 HB VAL 88 HB VAL 88 -5.408 -4.488 -6.241 677 HG11 VAL 88 HG11 VAL 88 -4.562 -5.410 -4.125 678 HG12 VAL 88 HG12 VAL 88 -6.218 -5.702 -3.599 679 HG13 VAL 88 HG13 VAL 88 -5.652 -4.051 -3.853 680 HG21 VAL 88 HG21 VAL 88 -6.141 -6.577 -7.238 681 HG22 VAL 88 HG22 VAL 88 -6.498 -7.230 -5.640 682 HG23 VAL 88 HG23 VAL 88 -4.834 -6.861 -6.091 683 HA PRO 89 HA PRO 89 -10.730 -7.231 -5.232 684 HB2 PRO 89 HB2 PRO 89 -11.288 -8.391 -7.608 685 HB3 PRO 89 HB1 PRO 89 -11.882 -6.781 -7.184 686 HG2 PRO 89 HG2 PRO 89 -9.558 -7.552 -8.901 687 HG3 PRO 89 HG1 PRO 89 -10.757 -6.270 -9.147 688 HD2 PRO 89 HD2 PRO 89 -8.240 -5.826 -8.142 689 HD3 PRO 89 HD1 PRO 89 -9.647 -4.803 -7.782 690 H GLY 90 HN GLY 90 -9.743 -8.775 -4.024 691 HA2 GLY 90 HA2 GLY 90 -8.409 -10.947 -5.508 692 HA3 GLY 90 HA1 GLY 90 -7.734 -10.325 -4.008 693 HA PRO 91 HA PRO 91 -10.202 -13.980 -2.699 694 HB2 PRO 91 HB2 PRO 91 -8.430 -13.588 -0.352 695 HB3 PRO 91 HB1 PRO 91 -8.788 -15.064 -1.256 696 HG2 PRO 91 HG2 PRO 91 -6.428 -13.841 -1.506 697 HG3 PRO 91 HG1 PRO 91 -7.225 -14.591 -2.902 698 HD2 PRO 91 HD2 PRO 91 -7.046 -11.702 -2.150 699 HD3 PRO 91 HD1 PRO 91 -6.943 -12.459 -3.752 700 H SER 92 HN SER 92 -12.090 -13.707 -1.690 701 HA SER 92 HA SER 92 -12.525 -11.319 -0.107 702 HB2 SER 92 HB2 SER 92 -14.452 -13.522 -0.886 703 HB3 SER 92 HB1 SER 92 -14.886 -11.972 -0.166 704 HG SER 92 HG SER 92 -13.833 -12.494 -2.739 705 HA PRO 93 HA PRO 93 -11.704 -13.464 3.693 706 HB2 PRO 93 HB2 PRO 93 -12.712 -11.584 5.389 707 HB3 PRO 93 HB1 PRO 93 -11.146 -11.427 4.588 708 HG2 PRO 93 HG2 PRO 93 -13.780 -10.215 3.848 709 HG3 PRO 93 HG1 PRO 93 -12.169 -9.476 3.849 710 HD2 PRO 93 HD2 PRO 93 -13.354 -10.361 1.586 711 HD3 PRO 93 HD1 PRO 93 -11.596 -10.422 1.825 712 H ASP 94 HN ASP 94 -14.789 -12.579 2.536 713 HA ASP 94 HA ASP 94 -16.031 -14.691 4.089 714 HB2 ASP 94 HB2 ASP 94 -16.403 -12.691 5.471 715 HB3 ASP 94 HB1 ASP 94 -17.094 -11.855 4.085 716 HA PRO 95 HA PRO 95 -17.517 -15.321 -0.031 717 HB2 PRO 95 HB2 PRO 95 -19.282 -17.332 0.548 718 HB3 PRO 95 HB1 PRO 95 -17.539 -17.561 0.374 719 HG2 PRO 95 HG2 PRO 95 -19.180 -17.298 2.853 720 HG3 PRO 95 HG1 PRO 95 -17.796 -18.356 2.528 721 HD2 PRO 95 HD2 PRO 95 -17.592 -16.077 3.979 722 HD3 PRO 95 HD1 PRO 95 -16.266 -16.699 2.977 723 H LEU 96 HN LEU 96 -19.602 -14.527 2.633 724 HA LEU 96 HA LEU 96 -21.959 -14.205 1.004 725 HB2 LEU 96 HB2 LEU 96 -21.335 -13.383 3.840 726 HB3 LEU 96 HB1 LEU 96 -22.858 -13.016 3.058 727 HG LEU 96 HG LEU 96 -23.164 -15.512 2.742 728 HD11 LEU 96 HD11 LEU 96 -20.857 -16.206 3.052 729 HD12 LEU 96 HD12 LEU 96 -21.910 -16.978 4.238 730 HD13 LEU 96 HD13 LEU 96 -20.891 -15.621 4.714 731 HD21 LEU 96 HD21 LEU 96 -24.371 -14.263 4.431 732 HD22 LEU 96 HD22 LEU 96 -23.009 -14.412 5.542 733 HD23 LEU 96 HD23 LEU 96 -23.909 -15.847 5.053 734 H ASP 97 HN ASP 97 -19.573 -12.077 2.541 735 HA ASP 97 HA ASP 97 -20.631 -9.679 1.431 736 HB2 ASP 97 HB2 ASP 97 -17.938 -10.363 2.594 737 HB3 ASP 97 HB1 ASP 97 -18.280 -8.774 1.918 738 H ALA 98 HN ALA 98 -18.569 -12.171 0.228 739 HA ALA 98 HA ALA 98 -17.475 -10.826 -1.997 740 HB1 ALA 98 HB1 ALA 98 -18.190 -13.746 -1.724 741 HB2 ALA 98 HB2 ALA 98 -16.666 -13.009 -1.229 742 HB3 ALA 98 HB3 ALA 98 -17.113 -13.050 -2.935 743 H GLN 99 HN GLN 99 -20.588 -12.275 -1.378 744 HA GLN 99 HA GLN 99 -21.511 -12.380 -4.053 745 HB2 GLN 99 HB2 GLN 99 -22.535 -13.643 -2.186 746 HB3 GLN 99 HB1 GLN 99 -23.110 -12.132 -1.498 747 HG2 GLN 99 HG2 GLN 99 -24.511 -11.753 -3.441 748 HG3 GLN 99 HG1 GLN 99 -23.902 -13.229 -4.185 749 HE21 GLN 99 HE21 GLN 99 -25.936 -11.892 -1.722 750 HE22 GLN 99 HE22 GLN 99 -26.760 -13.356 -1.315 751 H LEU 100 HN LEU 100 -21.243 -9.836 -1.718 752 HA LEU 100 HA LEU 100 -23.126 -8.041 -2.832 753 HB2 LEU 100 HB2 LEU 100 -20.643 -7.487 -1.209 754 HB3 LEU 100 HB1 LEU 100 -21.874 -6.298 -1.587 755 HG LEU 100 HG LEU 100 -22.287 -8.784 0.076 756 HD11 LEU 100 HD11 LEU 100 -22.136 -5.875 0.845 757 HD12 LEU 100 HD12 LEU 100 -20.942 -7.117 1.218 758 HD13 LEU 100 HD13 LEU 100 -22.554 -7.203 1.927 759 HD21 LEU 100 HD21 LEU 100 -24.487 -7.799 0.569 760 HD22 LEU 100 HD22 LEU 100 -24.304 -8.204 -1.138 761 HD23 LEU 100 HD23 LEU 100 -24.167 -6.527 -0.609 762 H ARG 101 HN ARG 101 -20.030 -9.066 -3.832 763 HA ARG 101 HA ARG 101 -19.416 -6.697 -5.371 764 HB2 ARG 101 HB2 ARG 101 -18.089 -9.418 -5.332 765 HB3 ARG 101 HB1 ARG 101 -17.461 -7.988 -6.141 766 HG2 ARG 101 HG2 ARG 101 -17.244 -6.852 -3.999 767 HG3 ARG 101 HG1 ARG 101 -17.910 -8.263 -3.176 768 HD2 ARG 101 HD2 ARG 101 -16.019 -9.608 -3.978 769 HD3 ARG 101 HD1 ARG 101 -15.351 -8.181 -4.771 770 HE ARG 101 HE ARG 101 -15.792 -7.684 -2.011 771 HH11 ARG 101 HH11 ARG 101 -13.624 -9.370 -4.187 772 HH12 ARG 101 HH12 ARG 101 -12.270 -9.275 -3.110 773 HH21 ARG 101 HH21 ARG 101 -13.996 -7.544 -0.601 774 HH22 ARG 101 HH22 ARG 101 -12.475 -8.216 -1.089 775 H ASP 102 HN ASP 102 -21.587 -9.112 -5.761 776 HA ASP 102 HA ASP 102 -21.236 -9.443 -8.634 777 HB2 ASP 102 HB2 ASP 102 -21.905 -11.390 -7.280 778 HB3 ASP 102 HB1 ASP 102 -23.360 -10.541 -6.777 779 H LEU 103 HN LEU 103 -22.884 -7.414 -6.455 780 HA LEU 103 HA LEU 103 -25.081 -6.769 -8.208 781 HB2 LEU 103 HB2 LEU 103 -24.110 -5.516 -5.640 782 HB3 LEU 103 HB1 LEU 103 -25.484 -4.912 -6.539 783 HG LEU 103 HG LEU 103 -26.368 -6.194 -4.775 784 HD11 LEU 103 HD11 LEU 103 -27.437 -6.582 -6.937 785 HD12 LEU 103 HD12 LEU 103 -27.554 -7.985 -5.877 786 HD13 LEU 103 HD13 LEU 103 -26.389 -7.976 -7.200 787 HD21 LEU 103 HD21 LEU 103 -24.492 -8.417 -5.556 788 HD22 LEU 103 HD22 LEU 103 -25.713 -8.488 -4.285 789 HD23 LEU 103 HD23 LEU 103 -24.349 -7.381 -4.138 790 H ARG 104 HN ARG 104 -24.004 -6.117 -10.110 791 HA ARG 104 HA ARG 104 -22.825 -3.424 -9.910 792 HB2 ARG 104 HB2 ARG 104 -22.085 -5.602 -11.877 793 HB3 ARG 104 HB1 ARG 104 -21.455 -3.961 -11.900 794 HG2 ARG 104 HG2 ARG 104 -20.467 -4.331 -9.679 795 HG3 ARG 104 HG1 ARG 104 -21.061 -5.991 -9.709 796 HD2 ARG 104 HD2 ARG 104 -18.749 -5.987 -10.348 797 HD3 ARG 104 HD1 ARG 104 -19.725 -6.377 -11.762 798 HE ARG 104 HE ARG 104 -19.402 -3.710 -11.996 799 HH11 ARG 104 HH11 ARG 104 -17.147 -6.338 -11.475 800 HH12 ARG 104 HH12 ARG 104 -15.825 -5.529 -12.251 801 HH21 ARG 104 HH21 ARG 104 -17.667 -2.640 -13.016 802 HH22 ARG 104 HH22 ARG 104 -16.116 -3.411 -13.117 803 H GLN 105 HN GLN 105 -23.150 -2.080 -11.836 804 HA GLN 105 HA GLN 105 -24.550 -0.997 -13.247 805 HB2 GLN 105 HB2 GLN 105 -25.345 -3.817 -13.972 806 HB3 GLN 105 HB1 GLN 105 -25.917 -2.391 -14.826 807 HG2 GLN 105 HG2 GLN 105 -23.652 -1.828 -15.458 808 HG3 GLN 105 HG1 GLN 105 -23.036 -3.203 -14.543 809 HE21 GLN 105 HE21 GLN 105 -24.785 -2.194 -17.375 810 HE22 GLN 105 HE22 GLN 105 -24.669 -3.695 -18.222 811 H LEU 106 HN LEU 106 -25.531 -0.215 -11.286 812 HA LEU 106 HA LEU 106 -28.200 -1.337 -10.749 813 HB2 LEU 106 HB2 LEU 106 -26.590 0.510 -8.985 814 HB3 LEU 106 HB1 LEU 106 -28.052 -0.356 -8.557 815 HG LEU 106 HG LEU 106 -25.399 -1.660 -9.175 816 HD11 LEU 106 HD11 LEU 106 -26.758 -1.165 -6.531 817 HD12 LEU 106 HD12 LEU 106 -25.304 -0.359 -7.118 818 HD13 LEU 106 HD13 LEU 106 -25.276 -2.089 -6.777 819 HD21 LEU 106 HD21 LEU 106 -27.960 -2.800 -8.062 820 HD22 LEU 106 HD22 LEU 106 -26.444 -3.674 -8.279 821 HD23 LEU 106 HD23 LEU 106 -27.326 -3.076 -9.684 Start of MODEL 14 1 H GLY -4 HT1 GLY -4 1.372 -25.284 -6.487 2 HA2 GLY -4 HA1 GLY -4 1.728 -24.068 -9.167 3 HA3 GLY -4 HA2 GLY -4 0.302 -24.910 -8.580 4 H ILE -3 HN ILE -3 -1.127 -23.865 -7.221 5 HA ILE -3 HA ILE -3 -0.854 -20.976 -7.099 6 HB ILE -3 HB ILE -3 -3.124 -22.638 -5.989 7 HG12 ILE -3 HG12 ILE -3 -2.866 -21.408 -8.746 8 HG13 ILE -3 HG11 ILE -3 -2.778 -23.130 -8.392 9 HG21 ILE -3 HG21 ILE -3 -2.944 -19.746 -6.842 10 HG22 ILE -3 HG22 ILE -3 -3.046 -20.342 -5.185 11 HG23 ILE -3 HG23 ILE -3 -4.407 -20.558 -6.285 12 HD11 ILE -3 HD11 ILE -3 -5.168 -21.357 -7.960 13 HD12 ILE -3 HD12 ILE -3 -5.085 -23.082 -7.602 14 HD13 ILE -3 HD13 ILE -3 -4.951 -22.518 -9.268 15 H ASP -2 HN ASP -2 1.121 -21.546 -5.723 16 HA ASP -2 HA ASP -2 0.620 -22.236 -2.982 17 HB2 ASP -2 HB2 ASP -2 3.102 -21.216 -4.378 18 HB3 ASP -2 HB1 ASP -2 3.044 -21.769 -2.713 19 HA PRO -1 HA PRO -1 -0.734 -18.091 -2.128 20 HB2 PRO -1 HB2 PRO -1 -0.928 -18.402 0.589 21 HB3 PRO -1 HB1 PRO -1 -2.157 -18.940 -0.559 22 HG2 PRO -1 HG2 PRO -1 0.006 -20.514 0.777 23 HG3 PRO -1 HG1 PRO -1 -1.687 -20.957 0.489 24 HD2 PRO -1 HD2 PRO -1 0.299 -21.893 -1.056 25 HD3 PRO -1 HD1 PRO -1 -1.298 -21.502 -1.727 26 H PHE 0 HN PHE 0 2.024 -19.608 -0.590 27 HA PHE 0 HA PHE 0 2.938 -17.310 0.790 28 HB2 PHE 0 HB2 PHE 0 4.346 -19.833 -0.072 29 HB3 PHE 0 HB1 PHE 0 5.137 -18.566 0.858 30 HD1 PHE 0 HD1 PHE 0 4.454 -18.103 3.155 31 HD2 PHE 0 HD2 PHE 0 2.747 -21.301 0.930 32 HE1 PHE 0 HE1 PHE 0 3.587 -19.078 5.236 33 HE2 PHE 0 HE2 PHE 0 1.871 -22.280 3.010 34 HZ PHE 0 HZ PHE 0 2.290 -21.170 5.165 35 H THR 1 HN THR 1 4.100 -18.813 -2.256 36 HA THR 1 HA THR 1 5.832 -16.651 -2.822 37 HB THR 1 HB THR 1 6.149 -18.881 -3.842 38 HG1 THR 1 HG1 THR 1 6.956 -16.852 -4.801 39 HG21 THR 1 HG21 THR 1 4.826 -19.584 -5.743 40 HG22 THR 1 HG22 THR 1 3.829 -18.135 -5.623 41 HG23 THR 1 HG23 THR 1 3.771 -19.351 -4.348 42 H LEU 2 HN LEU 2 2.457 -17.291 -3.655 43 HA LEU 2 HA LEU 2 2.121 -15.182 -5.486 44 HB2 LEU 2 HB2 LEU 2 0.358 -16.878 -3.843 45 HB3 LEU 2 HB1 LEU 2 -0.311 -15.320 -4.276 46 HG LEU 2 HG LEU 2 -0.996 -17.072 -5.846 47 HD11 LEU 2 HD11 LEU 2 -0.782 -14.763 -6.626 48 HD12 LEU 2 HD12 LEU 2 -0.429 -15.925 -7.904 49 HD13 LEU 2 HD13 LEU 2 0.889 -15.079 -7.093 50 HD21 LEU 2 HD21 LEU 2 0.963 -18.520 -5.668 51 HD22 LEU 2 HD22 LEU 2 1.940 -17.304 -6.492 52 HD23 LEU 2 HD23 LEU 2 0.623 -18.104 -7.347 53 H ASN 3 HN ASN 3 1.861 -15.312 -1.970 54 HA ASN 3 HA ASN 3 1.021 -12.655 -1.555 55 HB2 ASN 3 HB2 ASN 3 0.974 -14.479 0.158 56 HB3 ASN 3 HB1 ASN 3 2.724 -14.361 0.276 57 HD21 ASN 3 HD21 ASN 3 2.757 -13.768 2.383 58 HD22 ASN 3 HD22 ASN 3 2.184 -12.243 2.958 59 H HIS 4 HN HIS 4 4.232 -14.137 -1.755 60 HA HIS 4 HA HIS 4 5.711 -11.784 -1.254 61 HB2 HIS 4 HB2 HIS 4 6.350 -14.409 -2.535 62 HB3 HIS 4 HB1 HIS 4 7.496 -13.082 -2.685 63 HD1 HIS 4 HD1 HIS 4 8.885 -12.491 -0.649 64 HD2 HIS 4 HD2 HIS 4 5.996 -15.375 0.124 65 HE1 HIS 4 HE1 HIS 4 9.424 -13.388 1.633 66 HE2 HIS 4 HE2 HIS 4 7.585 -15.032 2.135 67 H GLN 5 HN GLN 5 4.529 -13.233 -4.259 68 HA GLN 5 HA GLN 5 5.810 -11.485 -6.034 69 HB2 GLN 5 HB2 GLN 5 3.219 -13.007 -6.319 70 HB3 GLN 5 HB1 GLN 5 3.988 -12.133 -7.638 71 HG2 GLN 5 HG2 GLN 5 5.970 -13.546 -7.407 72 HG3 GLN 5 HG1 GLN 5 5.179 -14.431 -6.104 73 HE21 GLN 5 HE21 GLN 5 5.261 -13.811 -9.517 74 HE22 GLN 5 HE22 GLN 5 4.270 -15.146 -9.990 75 H VAL 6 HN VAL 6 2.560 -11.287 -4.586 76 HA VAL 6 HA VAL 6 1.970 -8.806 -5.863 77 HB VAL 6 HB VAL 6 0.215 -10.390 -5.067 78 HG11 VAL 6 HG11 VAL 6 1.154 -10.996 -2.915 79 HG12 VAL 6 HG12 VAL 6 -0.472 -10.343 -2.723 80 HG13 VAL 6 HG13 VAL 6 0.930 -9.346 -2.333 81 HG21 VAL 6 HG21 VAL 6 -1.333 -8.663 -4.275 82 HG22 VAL 6 HG22 VAL 6 -0.360 -8.107 -5.637 83 HG23 VAL 6 HG23 VAL 6 0.031 -7.578 -4.001 84 H MET 7 HN MET 7 3.495 -9.720 -2.856 85 HA MET 7 HA MET 7 3.411 -7.154 -1.642 86 HB2 MET 7 HB2 MET 7 3.876 -9.313 -0.436 87 HB3 MET 7 HB1 MET 7 5.474 -9.310 -1.173 88 HG2 MET 7 HG2 MET 7 5.575 -8.442 1.081 89 HG3 MET 7 HG1 MET 7 5.970 -7.178 -0.085 90 HE1 MET 7 HE1 MET 7 5.339 -6.337 2.825 91 HE2 MET 7 HE2 MET 7 4.194 -5.018 2.573 92 HE3 MET 7 HE3 MET 7 5.590 -5.191 1.508 93 H ASP 8 HN ASP 8 5.830 -8.846 -3.604 94 HA ASP 8 HA ASP 8 7.746 -6.781 -3.643 95 HB2 ASP 8 HB2 ASP 8 8.277 -9.068 -4.337 96 HB3 ASP 8 HB1 ASP 8 7.174 -8.929 -5.701 97 H GLN 9 HN GLN 9 4.802 -7.298 -5.403 98 HA GLN 9 HA GLN 9 5.249 -5.418 -7.480 99 HB2 GLN 9 HB2 GLN 9 3.520 -7.209 -7.549 100 HB3 GLN 9 HB1 GLN 9 2.615 -6.338 -6.318 101 HG2 GLN 9 HG2 GLN 9 2.469 -4.410 -7.870 102 HG3 GLN 9 HG1 GLN 9 3.244 -5.399 -9.104 103 HE21 GLN 9 HE21 GLN 9 0.915 -6.592 -6.768 104 HE22 GLN 9 HE22 GLN 9 -0.339 -6.916 -7.913 105 H VAL 10 HN VAL 10 3.450 -5.210 -4.399 106 HA VAL 10 HA VAL 10 2.851 -2.445 -4.733 107 HB VAL 10 HB VAL 10 1.429 -3.820 -3.322 108 HG11 VAL 10 HG11 VAL 10 3.802 -4.062 -1.483 109 HG12 VAL 10 HG12 VAL 10 3.076 -5.359 -2.433 110 HG13 VAL 10 HG13 VAL 10 2.165 -4.607 -1.125 111 HG21 VAL 10 HG21 VAL 10 1.246 -2.362 -1.370 112 HG22 VAL 10 HG22 VAL 10 1.511 -1.433 -2.846 113 HG23 VAL 10 HG23 VAL 10 2.841 -1.696 -1.716 114 H PHE 11 HN PHE 11 5.434 -4.220 -3.114 115 HA PHE 11 HA PHE 11 6.614 -2.055 -1.771 116 HB2 PHE 11 HB2 PHE 11 7.224 -4.421 -1.361 117 HB3 PHE 11 HB1 PHE 11 8.002 -4.479 -2.940 118 HD1 PHE 11 HD1 PHE 11 8.118 -2.778 0.353 119 HD2 PHE 11 HD2 PHE 11 10.222 -3.810 -3.197 120 HE1 PHE 11 HE1 PHE 11 10.209 -1.971 1.363 121 HE2 PHE 11 HE2 PHE 11 12.319 -3.005 -2.191 122 HZ PHE 11 HZ PHE 11 12.314 -2.085 0.093 123 H ASP 12 HN ASP 12 7.088 -3.325 -5.034 124 HA ASP 12 HA ASP 12 9.118 -1.604 -5.877 125 HB2 ASP 12 HB2 ASP 12 8.367 -3.563 -7.166 126 HB3 ASP 12 HB1 ASP 12 6.839 -2.757 -7.501 127 H GLN 13 HN GLN 13 5.615 -1.202 -5.853 128 HA GLN 13 HA GLN 13 5.618 1.262 -7.264 129 HB2 GLN 13 HB2 GLN 13 3.656 -0.233 -7.156 130 HB3 GLN 13 HB1 GLN 13 3.496 0.119 -5.441 131 HG2 GLN 13 HG2 GLN 13 1.913 1.400 -6.771 132 HG3 GLN 13 HG1 GLN 13 3.053 2.453 -5.937 133 HE21 GLN 13 HE21 GLN 13 2.059 1.171 -9.016 134 HE22 GLN 13 HE22 GLN 13 2.931 2.300 -9.992 135 H VAL 14 HN VAL 14 5.331 0.474 -3.781 136 HA VAL 14 HA VAL 14 5.066 3.168 -2.974 137 HB VAL 14 HB VAL 14 5.605 2.448 -0.706 138 HG11 VAL 14 HG11 VAL 14 3.813 0.512 -2.162 139 HG12 VAL 14 HG12 VAL 14 3.351 2.087 -1.517 140 HG13 VAL 14 HG13 VAL 14 3.822 0.789 -0.420 141 HG21 VAL 14 HG21 VAL 14 7.406 0.904 -1.102 142 HG22 VAL 14 HG22 VAL 14 6.330 -0.184 -1.974 143 HG23 VAL 14 HG23 VAL 14 6.111 0.067 -0.243 144 H GLU 15 HN GLU 15 7.904 1.109 -3.436 145 HA GLU 15 HA GLU 15 9.834 2.922 -2.465 146 HB2 GLU 15 HB2 GLU 15 10.255 0.514 -3.003 147 HB3 GLU 15 HB1 GLU 15 10.152 0.919 -4.712 148 HG2 GLU 15 HG2 GLU 15 12.049 2.498 -4.373 149 HG3 GLU 15 HG1 GLU 15 12.201 1.873 -2.733 150 H HIS 16 HN HIS 16 8.436 2.394 -5.650 151 HA HIS 16 HA HIS 16 9.805 4.316 -7.123 152 HB2 HIS 16 HB2 HIS 16 8.426 2.688 -8.219 153 HB3 HIS 16 HB1 HIS 16 6.997 3.221 -7.348 154 HD1 HIS 16 HD1 HIS 16 5.467 4.491 -8.771 155 HD2 HIS 16 HD2 HIS 16 9.431 5.044 -9.907 156 HE1 HIS 16 HE1 HIS 16 5.395 6.006 -10.780 157 HE2 HIS 16 HE2 HIS 16 7.805 6.361 -11.425 158 H GLN 17 HN GLN 17 6.967 4.626 -5.043 159 HA GLN 17 HA GLN 17 6.487 7.362 -5.682 160 HB2 GLN 17 HB2 GLN 17 5.607 5.784 -3.259 161 HB3 GLN 17 HB1 GLN 17 4.966 7.343 -3.759 162 HG2 GLN 17 HG2 GLN 17 4.704 4.715 -5.198 163 HG3 GLN 17 HG1 GLN 17 3.428 5.645 -4.416 164 HE21 GLN 17 HE21 GLN 17 2.649 7.499 -5.420 165 HE22 GLN 17 HE22 GLN 17 2.946 7.844 -7.086 166 H ILE 18 HN ILE 18 8.159 5.702 -3.028 167 HA ILE 18 HA ILE 18 8.814 7.959 -1.499 168 HB ILE 18 HB ILE 18 10.358 5.375 -1.810 169 HG12 ILE 18 HG12 ILE 18 8.406 6.242 0.336 170 HG13 ILE 18 HG11 ILE 18 8.016 5.149 -0.988 171 HG21 ILE 18 HG21 ILE 18 11.789 7.122 -0.909 172 HG22 ILE 18 HG22 ILE 18 11.393 5.944 0.343 173 HG23 ILE 18 HG23 ILE 18 10.578 7.508 0.314 174 HD11 ILE 18 HD11 ILE 18 8.445 3.921 1.049 175 HD12 ILE 18 HD12 ILE 18 10.044 4.656 1.180 176 HD13 ILE 18 HD13 ILE 18 9.682 3.564 -0.156 177 H ALA 19 HN ALA 19 10.551 6.365 -4.143 178 HA ALA 19 HA ALA 19 12.878 7.901 -4.124 179 HB1 ALA 19 HB1 ALA 19 13.191 7.183 -6.426 180 HB2 ALA 19 HB2 ALA 19 11.499 6.696 -6.522 181 HB3 ALA 19 HB3 ALA 19 12.602 5.847 -5.438 182 H GLN 20 HN GLN 20 9.767 8.510 -5.688 183 HA GLN 20 HA GLN 20 10.576 10.839 -7.081 184 HB2 GLN 20 HB2 GLN 20 7.864 9.858 -6.204 185 HB3 GLN 20 HB1 GLN 20 8.093 11.316 -7.160 186 HG2 GLN 20 HG2 GLN 20 9.154 9.989 -8.918 187 HG3 GLN 20 HG1 GLN 20 8.895 8.529 -7.960 188 HE21 GLN 20 HE21 GLN 20 6.826 7.717 -7.731 189 HE22 GLN 20 HE22 GLN 20 5.518 8.209 -8.752 190 H VAL 21 HN VAL 21 9.071 10.335 -3.914 191 HA VAL 21 HA VAL 21 8.696 13.064 -3.298 192 HB VAL 21 HB VAL 21 9.094 10.743 -1.396 193 HG11 VAL 21 HG11 VAL 21 9.476 12.888 -0.292 194 HG12 VAL 21 HG12 VAL 21 7.972 12.153 0.261 195 HG13 VAL 21 HG13 VAL 21 7.930 13.484 -0.895 196 HG21 VAL 21 HG21 VAL 21 6.577 12.001 -2.484 197 HG22 VAL 21 HG22 VAL 21 6.644 10.742 -1.251 198 HG23 VAL 21 HG23 VAL 21 7.205 10.405 -2.888 199 H LEU 22 HN LEU 22 11.321 10.809 -2.453 200 HA LEU 22 HA LEU 22 12.919 12.650 -1.063 201 HB2 LEU 22 HB2 LEU 22 13.723 10.220 -2.664 202 HB3 LEU 22 HB1 LEU 22 14.808 11.110 -1.615 203 HG LEU 22 HG LEU 22 12.333 9.624 -0.726 204 HD11 LEU 22 HD11 LEU 22 14.151 8.143 -1.412 205 HD12 LEU 22 HD12 LEU 22 13.902 8.091 0.333 206 HD13 LEU 22 HD13 LEU 22 15.258 9.000 -0.338 207 HD21 LEU 22 HD21 LEU 22 14.421 11.119 0.858 208 HD22 LEU 22 HD22 LEU 22 13.167 10.088 1.546 209 HD23 LEU 22 HD23 LEU 22 12.721 11.557 0.680 210 H GLY 23 HN GLY 23 12.859 11.755 -4.493 211 HA2 GLY 23 HA2 GLY 23 15.002 13.363 -5.329 212 HA3 GLY 23 HA1 GLY 23 13.676 12.826 -6.349 213 H ALA 24 HN ALA 24 11.553 14.094 -5.037 214 HA ALA 24 HA ALA 24 11.702 16.678 -6.186 215 HB1 ALA 24 HB1 ALA 24 9.661 15.554 -4.273 216 HB2 ALA 24 HB2 ALA 24 9.608 15.436 -6.032 217 HB3 ALA 24 HB3 ALA 24 9.471 17.009 -5.250 218 H LYS 25 HN LYS 25 12.285 15.463 -2.968 219 HA LYS 25 HA LYS 25 12.314 18.136 -1.822 220 HB2 LYS 25 HB2 LYS 25 12.863 15.427 -0.611 221 HB3 LYS 25 HB1 LYS 25 12.965 16.936 0.284 222 HG2 LYS 25 HG2 LYS 25 10.513 15.760 -1.001 223 HG3 LYS 25 HG1 LYS 25 10.855 15.887 0.725 224 HD2 LYS 25 HD2 LYS 25 10.955 18.383 0.408 225 HD3 LYS 25 HD1 LYS 25 10.328 18.122 -1.221 226 HE2 LYS 25 HE2 LYS 25 8.480 18.651 0.191 227 HE3 LYS 25 HE1 LYS 25 8.386 16.935 -0.199 228 HZ1 LYS 25 HZ1 LYS 25 9.211 16.365 1.942 229 HZ2 LYS 25 HZ2 LYS 25 7.973 17.496 2.171 230 HZ3 LYS 25 HZ3 LYS 25 9.585 17.979 2.300 231 H GLY 26 HN GLY 26 14.468 16.138 -3.441 232 HA2 GLY 26 HA2 GLY 26 16.705 16.493 -3.932 233 HA3 GLY 26 HA1 GLY 26 16.700 17.854 -2.819 234 H GLY 27 HN GLY 27 15.671 14.598 -2.030 235 HA2 GLY 27 HA2 GLY 27 17.639 14.542 0.125 236 HA3 GLY 27 HA1 GLY 27 16.271 13.454 -0.067 237 HA PRO 28 HA PRO 28 20.309 11.611 -1.740 238 HB2 PRO 28 HB2 PRO 28 21.093 10.071 0.325 239 HB3 PRO 28 HB1 PRO 28 21.547 11.774 0.204 240 HG2 PRO 28 HG2 PRO 28 19.398 10.500 1.844 241 HG3 PRO 28 HG1 PRO 28 20.525 11.794 2.285 242 HD2 PRO 28 HD2 PRO 28 17.929 12.226 1.527 243 HD3 PRO 28 HD1 PRO 28 19.228 13.415 1.323 244 H LEU 29 HN LEU 29 20.308 9.673 -2.778 245 HA LEU 29 HA LEU 29 18.025 7.964 -2.541 246 HB2 LEU 29 HB2 LEU 29 20.565 7.781 -4.152 247 HB3 LEU 29 HB1 LEU 29 19.370 6.502 -4.155 248 HG LEU 29 HG LEU 29 19.038 7.826 -6.111 249 HD11 LEU 29 HD11 LEU 29 16.926 8.588 -4.103 250 HD12 LEU 29 HD12 LEU 29 17.017 7.048 -4.958 251 HD13 LEU 29 HD13 LEU 29 16.745 8.541 -5.857 252 HD21 LEU 29 HD21 LEU 29 20.178 9.856 -5.419 253 HD22 LEU 29 HD22 LEU 29 18.866 10.229 -4.300 254 HD23 LEU 29 HD23 LEU 29 18.568 10.224 -6.038 255 H VAL 30 HN VAL 30 17.802 6.651 -0.890 256 HA VAL 30 HA VAL 30 20.190 5.462 0.329 257 HB VAL 30 HB VAL 30 18.820 5.213 2.375 258 HG11 VAL 30 HG11 VAL 30 20.260 7.161 2.094 259 HG12 VAL 30 HG12 VAL 30 18.804 7.577 2.997 260 HG13 VAL 30 HG13 VAL 30 18.947 8.027 1.297 261 HG21 VAL 30 HG21 VAL 30 16.758 6.733 0.783 262 HG22 VAL 30 HG22 VAL 30 16.689 6.471 2.524 263 HG23 VAL 30 HG23 VAL 30 16.608 5.096 1.422 264 H ALA 31 HN ALA 31 19.825 3.316 1.362 265 HA ALA 31 HA ALA 31 18.511 1.551 -0.512 266 HB1 ALA 31 HB1 ALA 31 20.730 0.992 0.365 267 HB2 ALA 31 HB2 ALA 31 19.544 -0.247 0.771 268 HB3 ALA 31 HB3 ALA 31 20.063 0.912 1.995 269 H VAL 32 HN VAL 32 16.328 1.941 -0.211 270 HA VAL 32 HA VAL 32 15.169 1.826 2.423 271 HB VAL 32 HB VAL 32 14.143 3.388 0.969 272 HG11 VAL 32 HG11 VAL 32 13.710 1.150 -1.004 273 HG12 VAL 32 HG12 VAL 32 14.878 2.461 -1.161 274 HG13 VAL 32 HG13 VAL 32 13.151 2.814 -1.183 275 HG21 VAL 32 HG21 VAL 32 11.813 2.636 0.878 276 HG22 VAL 32 HG22 VAL 32 12.578 2.197 2.405 277 HG23 VAL 32 HG23 VAL 32 12.340 0.975 1.155 278 H GLU 33 HN GLU 33 14.826 -0.006 3.424 279 HA GLU 33 HA GLU 33 14.131 -2.389 1.857 280 HB2 GLU 33 HB2 GLU 33 15.239 -2.109 4.653 281 HB3 GLU 33 HB1 GLU 33 14.704 -3.635 3.963 282 HG2 GLU 33 HG2 GLU 33 16.871 -1.917 2.776 283 HG3 GLU 33 HG1 GLU 33 17.163 -3.258 3.884 284 H ILE 34 HN ILE 34 12.662 -3.930 3.262 285 HA ILE 34 HA ILE 34 10.189 -2.581 3.412 286 HB ILE 34 HB ILE 34 10.445 -4.956 2.754 287 HG12 ILE 34 HG12 ILE 34 8.446 -5.795 3.991 288 HG13 ILE 34 HG11 ILE 34 8.567 -4.395 5.049 289 HG21 ILE 34 HG21 ILE 34 10.616 -6.681 4.482 290 HG22 ILE 34 HG22 ILE 34 10.892 -5.427 5.691 291 HG23 ILE 34 HG23 ILE 34 12.063 -5.676 4.397 292 HD11 ILE 34 HD11 ILE 34 8.174 -2.911 3.185 293 HD12 ILE 34 HD12 ILE 34 6.888 -4.113 3.285 294 HD13 ILE 34 HD13 ILE 34 8.158 -4.278 2.073 295 H ASP 35 HN ASP 35 12.497 -3.578 5.881 296 HA ASP 35 HA ASP 35 10.625 -2.904 8.009 297 HB2 ASP 35 HB2 ASP 35 13.407 -4.070 8.061 298 HB3 ASP 35 HB1 ASP 35 12.511 -3.649 9.515 299 H SER 36 HN SER 36 12.217 -0.992 6.108 300 HA SER 36 HA SER 36 13.799 0.528 7.968 301 HB2 SER 36 HB2 SER 36 12.927 1.175 5.144 302 HB3 SER 36 HB1 SER 36 14.124 2.071 6.078 303 HG SER 36 HG SER 36 14.846 -0.453 6.179 304 H ARG 37 HN ARG 37 13.208 2.237 9.135 305 HA ARG 37 HA ARG 37 10.444 3.057 9.209 306 HB2 ARG 37 HB2 ARG 37 12.827 4.228 10.657 307 HB3 ARG 37 HB1 ARG 37 11.138 4.535 11.024 308 HG2 ARG 37 HG2 ARG 37 10.842 2.222 11.699 309 HG3 ARG 37 HG1 ARG 37 12.521 1.876 11.281 310 HD2 ARG 37 HD2 ARG 37 11.535 3.754 13.424 311 HD3 ARG 37 HD1 ARG 37 12.344 2.206 13.661 312 HE ARG 37 HE ARG 37 13.944 4.000 12.119 313 HH11 ARG 37 HH11 ARG 37 12.934 3.266 15.390 314 HH12 ARG 37 HH12 ARG 37 14.347 3.953 16.119 315 HH21 ARG 37 HH21 ARG 37 15.801 4.927 13.066 316 HH22 ARG 37 HH22 ARG 37 15.981 4.907 14.797 317 H PHE 38 HN PHE 38 9.585 4.868 8.392 318 HA PHE 38 HA PHE 38 10.823 6.211 6.272 319 HB2 PHE 38 HB2 PHE 38 8.371 6.813 7.910 320 HB3 PHE 38 HB1 PHE 38 8.870 7.841 6.576 321 HD1 PHE 38 HD1 PHE 38 7.088 4.929 7.532 322 HD2 PHE 38 HD2 PHE 38 9.144 6.736 4.276 323 HE1 PHE 38 HE1 PHE 38 5.925 3.428 5.972 324 HE2 PHE 38 HE2 PHE 38 7.979 5.240 2.708 325 HZ PHE 38 HZ PHE 38 6.367 3.620 3.522 326 H SER 39 HN SER 39 10.762 6.872 9.679 327 HA SER 39 HA SER 39 11.529 9.553 9.696 328 HB2 SER 39 HB2 SER 39 10.805 8.330 11.708 329 HB3 SER 39 HB1 SER 39 12.279 7.365 11.656 330 HG SER 39 HG SER 39 12.066 10.169 12.080 331 H ASP 40 HN ASP 40 13.509 6.605 9.513 332 HA ASP 40 HA ASP 40 16.008 7.918 9.781 333 HB2 ASP 40 HB2 ASP 40 15.386 5.238 8.522 334 HB3 ASP 40 HB1 ASP 40 16.989 5.805 8.967 335 H LEU 41 HN LEU 41 13.999 7.085 7.037 336 HA LEU 41 HA LEU 41 16.051 7.496 5.087 337 HB2 LEU 41 HB2 LEU 41 13.105 7.002 4.978 338 HB3 LEU 41 HB1 LEU 41 13.950 7.520 3.535 339 HG LEU 41 HG LEU 41 15.387 5.535 3.650 340 HD11 LEU 41 HD11 LEU 41 13.680 4.715 5.992 341 HD12 LEU 41 HD12 LEU 41 15.373 5.201 6.073 342 HD13 LEU 41 HD13 LEU 41 14.919 3.736 5.205 343 HD21 LEU 41 HD21 LEU 41 12.441 4.930 3.782 344 HD22 LEU 41 HD22 LEU 41 13.678 3.886 3.083 345 HD23 LEU 41 HD23 LEU 41 13.336 5.456 2.357 346 H GLY 42 HN GLY 42 13.832 9.562 6.714 347 HA2 GLY 42 HA2 GLY 42 14.304 11.939 6.649 348 HA3 GLY 42 HA1 GLY 42 14.697 11.759 4.947 349 H LEU 43 HN LEU 43 11.902 10.253 6.419 350 HA LEU 43 HA LEU 43 10.189 12.148 4.951 351 HB2 LEU 43 HB2 LEU 43 9.688 9.262 5.683 352 HB3 LEU 43 HB1 LEU 43 8.467 10.318 5.015 353 HG LEU 43 HG LEU 43 9.228 8.929 3.256 354 HD11 LEU 43 HD11 LEU 43 10.284 10.524 1.678 355 HD12 LEU 43 HD12 LEU 43 10.472 11.653 3.019 356 HD13 LEU 43 HD13 LEU 43 8.862 11.150 2.506 357 HD21 LEU 43 HD21 LEU 43 11.564 8.719 2.590 358 HD22 LEU 43 HD22 LEU 43 11.305 8.150 4.239 359 HD23 LEU 43 HD23 LEU 43 12.046 9.725 3.956 360 H SER 44 HN SER 44 9.022 13.474 6.201 361 HA SER 44 HA SER 44 8.536 12.699 8.987 362 HB2 SER 44 HB2 SER 44 7.948 15.067 9.346 363 HB3 SER 44 HB1 SER 44 9.556 14.906 8.640 364 HG SER 44 HG SER 44 8.592 15.364 6.582 365 H SER 45 HN SER 45 6.243 14.042 9.604 366 HA SER 45 HA SER 45 4.256 12.291 8.683 367 HB2 SER 45 HB2 SER 45 4.259 13.630 10.844 368 HB3 SER 45 HB1 SER 45 3.753 15.018 9.886 369 HG SER 45 HG SER 45 2.323 12.840 10.735 370 H LEU 46 HN LEU 46 5.094 15.594 7.726 371 HA LEU 46 HA LEU 46 2.944 15.950 5.914 372 HB2 LEU 46 HB2 LEU 46 5.667 17.255 5.979 373 HB3 LEU 46 HB1 LEU 46 4.333 17.781 4.971 374 HG LEU 46 HG LEU 46 4.369 17.799 7.991 375 HD11 LEU 46 HD11 LEU 46 4.425 20.217 7.762 376 HD12 LEU 46 HD12 LEU 46 4.477 20.063 6.007 377 HD13 LEU 46 HD13 LEU 46 5.827 19.487 6.983 378 HD21 LEU 46 HD21 LEU 46 2.282 18.757 6.036 379 HD22 LEU 46 HD22 LEU 46 2.259 19.041 7.777 380 HD23 LEU 46 HD23 LEU 46 2.129 17.398 7.151 381 H ASP 47 HN ASP 47 6.226 14.704 5.549 382 HA ASP 47 HA ASP 47 6.178 14.401 2.743 383 HB2 ASP 47 HB2 ASP 47 7.709 12.847 4.839 384 HB3 ASP 47 HB1 ASP 47 7.963 12.687 3.108 385 H LEU 48 HN LEU 48 5.352 12.211 5.397 386 HA LEU 48 HA LEU 48 4.592 10.006 3.842 387 HB2 LEU 48 HB2 LEU 48 3.818 10.940 6.587 388 HB3 LEU 48 HB1 LEU 48 3.090 9.509 5.885 389 HG LEU 48 HG LEU 48 6.056 9.880 6.311 390 HD11 LEU 48 HD11 LEU 48 5.787 8.276 8.139 391 HD12 LEU 48 HD12 LEU 48 4.039 8.298 7.902 392 HD13 LEU 48 HD13 LEU 48 4.874 9.755 8.439 393 HD21 LEU 48 HD21 LEU 48 4.394 7.507 5.465 394 HD22 LEU 48 HD22 LEU 48 6.108 7.444 5.878 395 HD23 LEU 48 HD23 LEU 48 5.571 8.377 4.482 396 H ALA 49 HN ALA 49 2.758 12.809 4.963 397 HA ALA 49 HA ALA 49 0.222 12.039 4.079 398 HB1 ALA 49 HB1 ALA 49 -0.316 14.428 4.051 399 HB2 ALA 49 HB2 ALA 49 1.400 14.818 4.163 400 HB3 ALA 49 HB3 ALA 49 0.594 13.992 5.496 401 H THR 50 HN THR 50 2.781 13.829 2.376 402 HA THR 50 HA THR 50 1.397 14.026 -0.085 403 HB THR 50 HB THR 50 4.394 14.002 0.341 404 HG1 THR 50 HG1 THR 50 2.639 15.663 1.350 405 HG21 THR 50 HG21 THR 50 2.694 15.225 -1.839 406 HG22 THR 50 HG22 THR 50 3.732 13.811 -2.007 407 HG23 THR 50 HG23 THR 50 4.443 15.392 -1.685 408 H LEU 51 HN LEU 51 3.717 11.680 1.196 409 HA LEU 51 HA LEU 51 4.094 10.120 -1.084 410 HB2 LEU 51 HB2 LEU 51 5.471 9.919 0.913 411 HB3 LEU 51 HB1 LEU 51 4.102 9.317 1.826 412 HG LEU 51 HG LEU 51 4.049 7.317 0.349 413 HD11 LEU 51 HD11 LEU 51 5.114 8.268 -1.616 414 HD12 LEU 51 HD12 LEU 51 5.993 6.846 -1.056 415 HD13 LEU 51 HD13 LEU 51 6.623 8.459 -0.723 416 HD21 LEU 51 HD21 LEU 51 5.166 7.236 2.505 417 HD22 LEU 51 HD22 LEU 51 6.652 7.843 1.775 418 HD23 LEU 51 HD23 LEU 51 6.031 6.256 1.321 419 H ILE 52 HN ILE 52 1.761 9.656 1.571 420 HA ILE 52 HA ILE 52 0.562 7.366 0.429 421 HB ILE 52 HB ILE 52 -0.560 9.300 2.464 422 HG12 ILE 52 HG12 ILE 52 0.864 6.644 2.751 423 HG13 ILE 52 HG11 ILE 52 1.502 8.221 3.203 424 HG21 ILE 52 HG21 ILE 52 -1.491 6.533 1.709 425 HG22 ILE 52 HG22 ILE 52 -2.351 8.043 1.407 426 HG23 ILE 52 HG23 ILE 52 -2.101 7.486 3.061 427 HD11 ILE 52 HD11 ILE 52 -0.219 8.423 4.919 428 HD12 ILE 52 HD12 ILE 52 0.757 6.971 5.146 429 HD13 ILE 52 HD13 ILE 52 -0.862 6.847 4.460 430 H SER 53 HN SER 53 -0.166 10.818 0.187 431 HA SER 53 HA SER 53 -2.578 10.598 -1.237 432 HB2 SER 53 HB2 SER 53 -0.464 12.760 -1.416 433 HB3 SER 53 HB1 SER 53 -2.127 12.905 -1.983 434 HG SER 53 HG SER 53 -1.115 12.853 0.630 435 H ASN 54 HN ASN 54 0.789 10.636 -2.315 436 HA ASN 54 HA ASN 54 0.261 10.558 -5.090 437 HB2 ASN 54 HB2 ASN 54 2.637 9.620 -3.477 438 HB3 ASN 54 HB1 ASN 54 2.590 9.555 -5.234 439 HD21 ASN 54 HD21 ASN 54 4.412 11.009 -3.565 440 HD22 ASN 54 HD22 ASN 54 4.240 12.678 -3.981 441 H LEU 55 HN LEU 55 0.672 8.048 -2.658 442 HA LEU 55 HA LEU 55 0.593 5.862 -4.473 443 HB2 LEU 55 HB2 LEU 55 1.543 5.876 -2.131 444 HB3 LEU 55 HB1 LEU 55 -0.105 5.827 -1.540 445 HG LEU 55 HG LEU 55 -0.442 3.652 -2.626 446 HD11 LEU 55 HD11 LEU 55 1.516 2.461 -3.553 447 HD12 LEU 55 HD12 LEU 55 2.450 3.950 -3.429 448 HD13 LEU 55 HD13 LEU 55 1.058 3.870 -4.508 449 HD21 LEU 55 HD21 LEU 55 2.020 3.776 -0.889 450 HD22 LEU 55 HD22 LEU 55 1.025 2.348 -1.171 451 HD23 LEU 55 HD23 LEU 55 0.351 3.738 -0.321 452 H GLU 56 HN GLU 56 -1.827 7.592 -2.594 453 HA GLU 56 HA GLU 56 -4.073 6.024 -3.086 454 HB2 GLU 56 HB2 GLU 56 -4.176 7.927 -1.589 455 HB3 GLU 56 HB1 GLU 56 -3.811 9.031 -2.908 456 HG2 GLU 56 HG2 GLU 56 -5.957 8.198 -3.988 457 HG3 GLU 56 HG1 GLU 56 -6.328 7.477 -2.423 458 H ALA 57 HN ALA 57 -2.659 8.627 -5.016 459 HA ALA 57 HA ALA 57 -4.569 8.576 -7.089 460 HB1 ALA 57 HB1 ALA 57 -2.913 9.889 -8.358 461 HB2 ALA 57 HB2 ALA 57 -1.722 9.563 -7.098 462 HB3 ALA 57 HB3 ALA 57 -3.165 10.505 -6.725 463 H VAL 58 HN VAL 58 -2.158 6.356 -6.302 464 HA VAL 58 HA VAL 58 -1.639 5.423 -8.978 465 HB VAL 58 HB VAL 58 -1.025 4.168 -6.297 466 HG11 VAL 58 HG11 VAL 58 -1.234 2.460 -8.033 467 HG12 VAL 58 HG12 VAL 58 0.443 2.650 -7.521 468 HG13 VAL 58 HG13 VAL 58 -0.096 3.348 -9.047 469 HG21 VAL 58 HG21 VAL 58 0.204 6.224 -6.684 470 HG22 VAL 58 HG22 VAL 58 0.727 5.637 -8.263 471 HG23 VAL 58 HG23 VAL 58 1.287 4.837 -6.795 472 H TYR 59 HN TYR 59 -3.382 4.119 -6.146 473 HA TYR 59 HA TYR 59 -4.496 2.030 -7.853 474 HB2 TYR 59 HB2 TYR 59 -4.747 2.420 -4.867 475 HB3 TYR 59 HB1 TYR 59 -5.299 1.017 -5.772 476 HD1 TYR 59 HD1 TYR 59 -3.536 -0.372 -6.999 477 HD2 TYR 59 HD2 TYR 59 -2.571 2.515 -4.030 478 HE1 TYR 59 HE1 TYR 59 -1.353 -1.452 -6.665 479 HE2 TYR 59 HE2 TYR 59 -0.386 1.445 -3.689 480 HH TYR 59 HH TYR 59 0.858 -0.922 -5.814 481 H GLY 60 HN GLY 60 -5.468 4.967 -6.296 482 HA2 GLY 60 HA2 GLY 60 -7.470 6.127 -6.573 483 HA3 GLY 60 HA1 GLY 60 -8.143 4.726 -7.397 484 H THR 61 HN THR 61 -6.588 3.997 -4.489 485 HA THR 61 HA THR 61 -9.130 3.301 -3.276 486 HB THR 61 HB THR 61 -7.524 2.222 -1.551 487 HG1 THR 61 HG1 THR 61 -5.459 1.728 -2.697 488 HG21 THR 61 HG21 THR 61 -8.820 0.944 -3.188 489 HG22 THR 61 HG22 THR 61 -7.205 0.264 -2.998 490 HG23 THR 61 HG23 THR 61 -7.586 1.247 -4.411 491 H ASP 62 HN ASP 62 -8.784 3.391 -0.653 492 HA ASP 62 HA ASP 62 -8.751 6.255 -0.143 493 HB2 ASP 62 HB2 ASP 62 -9.840 5.636 2.008 494 HB3 ASP 62 HB1 ASP 62 -10.729 5.098 0.591 495 HA PRO 63 HA PRO 63 -4.818 6.021 1.868 496 HB2 PRO 63 HB2 PRO 63 -4.660 8.550 2.708 497 HB3 PRO 63 HB1 PRO 63 -4.639 8.160 0.982 498 HG2 PRO 63 HG2 PRO 63 -6.913 9.126 2.677 499 HG3 PRO 63 HG1 PRO 63 -6.422 9.661 1.058 500 HD2 PRO 63 HD2 PRO 63 -8.446 7.874 1.523 501 HD3 PRO 63 HD1 PRO 63 -7.495 7.920 0.027 502 H PHE 64 HN PHE 64 -3.843 6.117 3.941 503 HA PHE 64 HA PHE 64 -5.718 5.514 6.074 504 HB2 PHE 64 HB2 PHE 64 -2.716 5.254 5.889 505 HB3 PHE 64 HB1 PHE 64 -3.656 4.811 7.311 506 HD1 PHE 64 HD1 PHE 64 -4.873 2.796 7.402 507 HD2 PHE 64 HD2 PHE 64 -3.019 4.025 3.782 508 HE1 PHE 64 HE1 PHE 64 -5.295 0.571 6.441 509 HE2 PHE 64 HE2 PHE 64 -3.436 1.802 2.808 510 HZ PHE 64 HZ PHE 64 -4.576 0.074 4.138 511 H ALA 65 HN ALA 65 -4.593 8.302 4.998 512 HA ALA 65 HA ALA 65 -3.417 9.528 7.252 513 HB1 ALA 65 HB1 ALA 65 -3.849 11.635 6.104 514 HB2 ALA 65 HB2 ALA 65 -4.917 10.805 4.972 515 HB3 ALA 65 HB3 ALA 65 -3.193 10.433 4.993 516 H ASP 66 HN ASP 66 -6.738 9.380 6.071 517 HA ASP 66 HA ASP 66 -7.649 10.579 8.602 518 HB2 ASP 66 HB2 ASP 66 -9.656 11.229 7.449 519 HB3 ASP 66 HB1 ASP 66 -8.287 11.701 6.447 520 H ALA 67 HN ALA 67 -7.632 7.746 6.685 521 HA ALA 67 HA ALA 67 -9.998 6.518 7.559 522 HB1 ALA 67 HB1 ALA 67 -8.669 5.801 5.583 523 HB2 ALA 67 HB2 ALA 67 -9.144 4.480 6.650 524 HB3 ALA 67 HB3 ALA 67 -7.494 5.096 6.691 525 H VAL 68 HN VAL 68 -6.694 5.539 8.525 526 HA VAL 68 HA VAL 68 -7.877 4.643 11.066 527 HB VAL 68 HB VAL 68 -5.337 3.653 9.755 528 HG11 VAL 68 HG11 VAL 68 -5.410 1.883 11.447 529 HG12 VAL 68 HG12 VAL 68 -6.818 2.648 12.183 530 HG13 VAL 68 HG13 VAL 68 -5.263 3.481 12.180 531 HG21 VAL 68 HG21 VAL 68 -8.057 2.360 9.940 532 HG22 VAL 68 HG22 VAL 68 -6.599 1.590 9.317 533 HG23 VAL 68 HG23 VAL 68 -7.291 2.978 8.477 534 H ALA 69 HN ALA 69 -4.568 5.393 10.031 535 HA ALA 69 HA ALA 69 -4.244 7.704 11.615 536 HB1 ALA 69 HB1 ALA 69 -3.174 5.120 12.732 537 HB2 ALA 69 HB2 ALA 69 -4.406 6.144 13.465 538 HB3 ALA 69 HB3 ALA 69 -2.747 6.726 13.324 539 H ILE 70 HN ILE 70 -2.687 8.769 10.526 540 HA ILE 70 HA ILE 70 -0.865 7.331 8.813 541 HB ILE 70 HB ILE 70 -1.835 9.551 8.204 542 HG12 ILE 70 HG12 ILE 70 1.157 9.770 8.249 543 HG13 ILE 70 HG11 ILE 70 0.372 8.488 7.331 544 HG21 ILE 70 HG21 ILE 70 -0.803 11.578 9.112 545 HG22 ILE 70 HG22 ILE 70 0.099 10.593 10.264 546 HG23 ILE 70 HG23 ILE 70 -1.660 10.664 10.354 547 HD11 ILE 70 HD11 ILE 70 -0.857 10.147 6.053 548 HD12 ILE 70 HD12 ILE 70 0.886 10.394 5.926 549 HD13 ILE 70 HD13 ILE 70 -0.081 11.438 6.970 550 H THR 71 HN THR 71 -0.916 8.433 12.016 551 HA THR 71 HA THR 71 1.898 8.587 12.468 552 HB THR 71 HB THR 71 1.080 8.299 14.915 553 HG1 THR 71 HG1 THR 71 -0.966 7.757 15.011 554 HG21 THR 71 HG21 THR 71 0.302 10.637 14.978 555 HG22 THR 71 HG22 THR 71 0.148 10.620 13.221 556 HG23 THR 71 HG23 THR 71 1.735 10.447 13.970 557 H SER 72 HN SER 72 -0.281 6.052 11.991 558 HA SER 72 HA SER 72 1.108 4.110 13.626 559 HB2 SER 72 HB2 SER 72 -1.394 4.108 13.231 560 HB3 SER 72 HB1 SER 72 -1.059 3.613 11.573 561 HG SER 72 HG SER 72 0.200 2.104 13.511 562 H ILE 73 HN ILE 73 1.536 5.491 10.605 563 HA ILE 73 HA ILE 73 2.682 3.162 9.323 564 HB ILE 73 HB ILE 73 2.812 6.059 8.458 565 HG12 ILE 73 HG12 ILE 73 0.487 5.283 8.613 566 HG13 ILE 73 HG11 ILE 73 0.965 5.514 6.935 567 HG21 ILE 73 HG21 ILE 73 4.532 4.701 7.425 568 HG22 ILE 73 HG22 ILE 73 3.298 5.120 6.236 569 HG23 ILE 73 HG23 ILE 73 3.329 3.505 6.943 570 HD11 ILE 73 HD11 ILE 73 -0.354 3.505 7.175 571 HD12 ILE 73 HD12 ILE 73 0.768 2.886 8.387 572 HD13 ILE 73 HD13 ILE 73 1.299 3.093 6.718 573 H VAL 74 HN VAL 74 4.332 2.541 10.692 574 HA VAL 74 HA VAL 74 6.362 4.461 11.486 575 HB VAL 74 HB VAL 74 6.166 1.492 12.037 576 HG11 VAL 74 HG11 VAL 74 8.464 2.327 12.158 577 HG12 VAL 74 HG12 VAL 74 7.853 1.880 13.751 578 HG13 VAL 74 HG13 VAL 74 7.949 3.578 13.288 579 HG21 VAL 74 HG21 VAL 74 4.325 2.750 13.033 580 HG22 VAL 74 HG22 VAL 74 5.478 3.847 13.793 581 HG23 VAL 74 HG23 VAL 74 5.427 2.150 14.270 582 H THR 75 HN THR 75 6.345 1.296 9.852 583 HA THR 75 HA THR 75 8.866 2.069 8.544 584 HB THR 75 HB THR 75 9.239 -0.381 8.230 585 HG1 THR 75 HG1 THR 75 6.783 -0.457 9.639 586 HG21 THR 75 HG21 THR 75 8.860 0.506 11.091 587 HG22 THR 75 HG22 THR 75 10.283 0.811 10.095 588 HG23 THR 75 HG23 THR 75 9.862 -0.840 10.552 589 H VAL 76 HN VAL 76 9.188 0.949 6.377 590 HA VAL 76 HA VAL 76 7.184 1.661 4.561 591 HB VAL 76 HB VAL 76 9.371 -0.402 4.184 592 HG11 VAL 76 HG11 VAL 76 7.632 -0.613 2.490 593 HG12 VAL 76 HG12 VAL 76 9.108 0.047 1.787 594 HG13 VAL 76 HG13 VAL 76 7.748 1.111 2.139 595 HG21 VAL 76 HG21 VAL 76 10.597 1.454 3.099 596 HG22 VAL 76 HG22 VAL 76 10.307 1.736 4.814 597 HG23 VAL 76 HG23 VAL 76 9.321 2.559 3.606 598 H ALA 77 HN ALA 77 7.911 -1.371 6.162 599 HA ALA 77 HA ALA 77 6.232 -3.151 4.917 600 HB1 ALA 77 HB1 ALA 77 7.823 -3.713 6.717 601 HB2 ALA 77 HB2 ALA 77 6.226 -4.411 6.978 602 HB3 ALA 77 HB3 ALA 77 6.723 -2.984 7.885 603 H ASP 78 HN ASP 78 5.420 -0.858 7.488 604 HA ASP 78 HA ASP 78 2.816 -1.764 7.978 605 HB2 ASP 78 HB2 ASP 78 3.964 1.014 8.309 606 HB3 ASP 78 HB1 ASP 78 2.415 0.488 8.958 607 H LEU 79 HN LEU 79 4.015 0.710 5.751 608 HA LEU 79 HA LEU 79 1.386 1.439 4.866 609 HB2 LEU 79 HB2 LEU 79 3.271 3.027 4.863 610 HB3 LEU 79 HB1 LEU 79 4.083 2.053 3.653 611 HG LEU 79 HG LEU 79 2.218 2.509 2.080 612 HD11 LEU 79 HD11 LEU 79 1.283 4.380 4.250 613 HD12 LEU 79 HD12 LEU 79 0.449 2.931 3.687 614 HD13 LEU 79 HD13 LEU 79 0.646 4.311 2.608 615 HD21 LEU 79 HD21 LEU 79 3.593 4.932 3.232 616 HD22 LEU 79 HD22 LEU 79 2.823 4.849 1.648 617 HD23 LEU 79 HD23 LEU 79 4.236 3.852 1.994 618 H ALA 80 HN ALA 80 4.046 -0.504 3.564 619 HA ALA 80 HA ALA 80 2.930 -0.982 1.027 620 HB1 ALA 80 HB1 ALA 80 4.856 -2.711 2.575 621 HB2 ALA 80 HB2 ALA 80 5.294 -1.352 1.541 622 HB3 ALA 80 HB3 ALA 80 4.550 -2.788 0.840 623 H ARG 81 HN ARG 81 2.839 -2.948 4.003 624 HA ARG 81 HA ARG 81 1.257 -5.020 2.911 625 HB2 ARG 81 HB2 ARG 81 1.639 -4.099 5.759 626 HB3 ARG 81 HB1 ARG 81 0.697 -5.516 5.323 627 HG2 ARG 81 HG2 ARG 81 2.708 -6.494 4.281 628 HG3 ARG 81 HG1 ARG 81 3.635 -5.094 4.830 629 HD2 ARG 81 HD2 ARG 81 3.870 -7.017 6.345 630 HD3 ARG 81 HD1 ARG 81 3.127 -5.629 7.141 631 HE ARG 81 HE ARG 81 1.221 -7.480 6.040 632 HH11 ARG 81 HH11 ARG 81 3.217 -6.765 8.825 633 HH12 ARG 81 HH12 ARG 81 2.207 -7.642 9.926 634 HH21 ARG 81 HH21 ARG 81 -0.106 -8.621 7.479 635 HH22 ARG 81 HH22 ARG 81 0.308 -8.695 9.163 636 H ALA 82 HN ALA 82 0.480 -2.000 4.522 637 HA ALA 82 HA ALA 82 -2.243 -2.372 4.941 638 HB1 ALA 82 HB1 ALA 82 -0.823 0.197 4.249 639 HB2 ALA 82 HB2 ALA 82 -0.956 -0.502 5.864 640 HB3 ALA 82 HB3 ALA 82 -2.402 0.053 5.021 641 H TYR 83 HN TYR 83 -0.632 -0.830 2.144 642 HA TYR 83 HA TYR 83 -3.091 -0.600 0.703 643 HB2 TYR 83 HB2 TYR 83 -0.256 0.065 0.190 644 HB3 TYR 83 HB1 TYR 83 -1.259 -0.227 -1.229 645 HD1 TYR 83 HD1 TYR 83 -0.919 1.875 1.808 646 HD2 TYR 83 HD2 TYR 83 -2.847 1.364 -1.949 647 HE1 TYR 83 HE1 TYR 83 -1.833 4.154 1.970 648 HE2 TYR 83 HE2 TYR 83 -3.765 3.638 -1.797 649 HH TYR 83 HH TYR 83 -4.271 5.306 -0.157 650 H ALA 84 HN ALA 84 -0.981 -3.186 1.213 651 HA ALA 84 HA ALA 84 -1.650 -4.577 -1.237 652 HB1 ALA 84 HB1 ALA 84 -0.361 -5.639 1.277 653 HB2 ALA 84 HB2 ALA 84 0.503 -4.975 -0.107 654 HB3 ALA 84 HB3 ALA 84 -0.440 -6.455 -0.285 655 H GLN 85 HN GLN 85 -2.918 -4.183 1.940 656 HA GLN 85 HA GLN 85 -4.746 -6.443 1.646 657 HB2 GLN 85 HB2 GLN 85 -4.327 -4.521 3.944 658 HB3 GLN 85 HB1 GLN 85 -5.436 -5.885 3.961 659 HG2 GLN 85 HG2 GLN 85 -3.605 -7.436 3.760 660 HG3 GLN 85 HG1 GLN 85 -2.458 -6.109 3.589 661 HE21 GLN 85 HE21 GLN 85 -4.481 -7.891 5.782 662 HE22 GLN 85 HE22 GLN 85 -3.797 -7.257 7.238 663 H GLN 86 HN GLN 86 -4.641 -3.267 0.731 664 HA GLN 86 HA GLN 86 -7.474 -2.742 1.152 665 HB2 GLN 86 HB2 GLN 86 -5.322 -1.092 -0.186 666 HB3 GLN 86 HB1 GLN 86 -6.991 -0.579 0.007 667 HG2 GLN 86 HG2 GLN 86 -5.080 -1.205 2.245 668 HG3 GLN 86 HG1 GLN 86 -5.519 0.406 1.688 669 HE21 GLN 86 HE21 GLN 86 -8.307 -0.260 1.263 670 HE22 GLN 86 HE22 GLN 86 -9.021 -0.387 2.832 671 H GLY 87 HN GLY 87 -9.004 -2.663 -0.454 672 HA2 GLY 87 HA2 GLY 87 -9.912 -2.871 -2.572 673 HA3 GLY 87 HA1 GLY 87 -8.286 -2.973 -3.226 674 H VAL 88 HN VAL 88 -8.591 -5.162 -0.729 675 HA VAL 88 HA VAL 88 -8.614 -7.348 -2.626 676 HB VAL 88 HB VAL 88 -8.065 -8.795 -0.745 677 HG11 VAL 88 HG11 VAL 88 -6.452 -6.250 -0.757 678 HG12 VAL 88 HG12 VAL 88 -6.239 -7.635 -1.828 679 HG13 VAL 88 HG13 VAL 88 -5.916 -7.798 -0.102 680 HG21 VAL 88 HG21 VAL 88 -8.339 -6.340 0.987 681 HG22 VAL 88 HG22 VAL 88 -7.769 -7.925 1.512 682 HG23 VAL 88 HG23 VAL 88 -9.435 -7.722 0.972 683 HA PRO 89 HA PRO 89 -12.865 -8.514 -2.033 684 HB2 PRO 89 HB2 PRO 89 -12.004 -11.311 -2.340 685 HB3 PRO 89 HB1 PRO 89 -13.083 -10.353 -3.358 686 HG2 PRO 89 HG2 PRO 89 -10.616 -11.051 -4.168 687 HG3 PRO 89 HG1 PRO 89 -11.356 -9.504 -4.625 688 HD2 PRO 89 HD2 PRO 89 -9.300 -10.077 -2.525 689 HD3 PRO 89 HD1 PRO 89 -9.403 -8.717 -3.661 690 H GLY 90 HN GLY 90 -13.806 -8.581 -0.103 691 HA2 GLY 90 HA2 GLY 90 -12.565 -9.613 2.223 692 HA3 GLY 90 HA1 GLY 90 -14.240 -9.098 2.090 693 HA PRO 91 HA PRO 91 -13.682 -13.834 2.723 694 HB2 PRO 91 HB2 PRO 91 -15.591 -13.122 4.897 695 HB3 PRO 91 HB1 PRO 91 -14.255 -14.280 4.905 696 HG2 PRO 91 HG2 PRO 91 -14.019 -11.931 6.132 697 HG3 PRO 91 HG1 PRO 91 -12.655 -12.634 5.240 698 HD2 PRO 91 HD2 PRO 91 -14.485 -10.404 4.467 699 HD3 PRO 91 HD1 PRO 91 -12.748 -10.602 4.154 700 H SER 92 HN SER 92 -14.976 -15.054 1.541 701 HA SER 92 HA SER 92 -17.295 -13.976 0.310 702 HB2 SER 92 HB2 SER 92 -16.261 -16.819 0.320 703 HB3 SER 92 HB1 SER 92 -17.434 -16.145 -0.813 704 HG SER 92 HG SER 92 -15.602 -15.886 -1.898 705 HA PRO 93 HA PRO 93 -20.165 -15.362 3.453 706 HB2 PRO 93 HB2 PRO 93 -22.370 -14.255 2.406 707 HB3 PRO 93 HB1 PRO 93 -21.114 -13.269 3.163 708 HG2 PRO 93 HG2 PRO 93 -21.623 -13.781 0.258 709 HG3 PRO 93 HG1 PRO 93 -21.212 -12.259 1.070 710 HD2 PRO 93 HD2 PRO 93 -19.392 -13.822 -0.257 711 HD3 PRO 93 HD1 PRO 93 -18.969 -12.730 1.076 712 H ASP 94 HN ASP 94 -20.204 -16.067 0.079 713 HA ASP 94 HA ASP 94 -22.505 -17.757 0.084 714 HB2 ASP 94 HB2 ASP 94 -21.739 -18.421 -2.176 715 HB3 ASP 94 HB1 ASP 94 -21.818 -16.676 -1.978 716 HA PRO 95 HA PRO 95 -20.666 -21.407 1.813 717 HB2 PRO 95 HB2 PRO 95 -22.668 -22.922 0.279 718 HB3 PRO 95 HB1 PRO 95 -22.453 -22.798 2.025 719 HG2 PRO 95 HG2 PRO 95 -24.518 -21.632 0.768 720 HG3 PRO 95 HG1 PRO 95 -23.747 -20.899 2.185 721 HD2 PRO 95 HD2 PRO 95 -23.429 -20.219 -0.710 722 HD3 PRO 95 HD1 PRO 95 -23.540 -19.144 0.700 723 H LEU 96 HN LEU 96 -20.788 -20.685 -1.488 724 HA LEU 96 HA LEU 96 -19.776 -23.094 -2.590 725 HB2 LEU 96 HB2 LEU 96 -19.304 -20.309 -3.643 726 HB3 LEU 96 HB1 LEU 96 -19.288 -21.805 -4.554 727 HG LEU 96 HG LEU 96 -21.751 -20.611 -3.275 728 HD11 LEU 96 HD11 LEU 96 -20.918 -19.186 -5.063 729 HD12 LEU 96 HD12 LEU 96 -22.400 -20.005 -5.554 730 HD13 LEU 96 HD13 LEU 96 -20.839 -20.574 -6.149 731 HD21 LEU 96 HD21 LEU 96 -22.025 -22.971 -3.500 732 HD22 LEU 96 HD22 LEU 96 -21.338 -22.954 -5.124 733 HD23 LEU 96 HD23 LEU 96 -22.906 -22.208 -4.823 734 H ASP 97 HN ASP 97 -18.314 -20.259 -1.131 735 HA ASP 97 HA ASP 97 -15.622 -20.856 -1.710 736 HB2 ASP 97 HB2 ASP 97 -16.298 -18.673 -0.844 737 HB3 ASP 97 HB1 ASP 97 -16.792 -19.409 0.676 738 H ALA 98 HN ALA 98 -17.618 -21.637 1.126 739 HA ALA 98 HA ALA 98 -15.717 -23.174 2.491 740 HB1 ALA 98 HB1 ALA 98 -17.614 -24.136 3.701 741 HB2 ALA 98 HB2 ALA 98 -18.720 -23.456 2.509 742 HB3 ALA 98 HB3 ALA 98 -17.772 -22.388 3.542 743 H GLN 99 HN GLN 99 -18.056 -24.020 0.006 744 HA GLN 99 HA GLN 99 -17.698 -26.791 -0.035 745 HB2 GLN 99 HB2 GLN 99 -19.473 -25.588 -1.271 746 HB3 GLN 99 HB1 GLN 99 -18.261 -24.950 -2.371 747 HG2 GLN 99 HG2 GLN 99 -19.415 -26.805 -3.389 748 HG3 GLN 99 HG1 GLN 99 -17.729 -27.232 -3.093 749 HE21 GLN 99 HE21 GLN 99 -18.160 -29.424 -3.117 750 HE22 GLN 99 HE22 GLN 99 -18.988 -30.219 -1.825 751 H LEU 100 HN LEU 100 -15.992 -24.235 -1.820 752 HA LEU 100 HA LEU 100 -14.279 -25.908 -3.282 753 HB2 LEU 100 HB2 LEU 100 -14.631 -23.533 -3.802 754 HB3 LEU 100 HB1 LEU 100 -13.798 -23.084 -2.326 755 HG LEU 100 HG LEU 100 -11.730 -24.140 -3.216 756 HD11 LEU 100 HD11 LEU 100 -12.705 -25.735 -4.746 757 HD12 LEU 100 HD12 LEU 100 -11.630 -24.645 -5.624 758 HD13 LEU 100 HD13 LEU 100 -13.377 -24.430 -5.722 759 HD21 LEU 100 HD21 LEU 100 -12.952 -21.994 -4.944 760 HD22 LEU 100 HD22 LEU 100 -11.234 -22.376 -4.836 761 HD23 LEU 100 HD23 LEU 100 -12.087 -21.744 -3.428 762 H ARG 101 HN ARG 101 -13.982 -24.498 -0.071 763 HA ARG 101 HA ARG 101 -11.310 -25.214 0.427 764 HB2 ARG 101 HB2 ARG 101 -13.603 -24.927 2.373 765 HB3 ARG 101 HB1 ARG 101 -11.904 -25.008 2.819 766 HG2 ARG 101 HG2 ARG 101 -11.482 -22.942 1.590 767 HG3 ARG 101 HG1 ARG 101 -13.188 -22.864 1.141 768 HD2 ARG 101 HD2 ARG 101 -13.784 -22.775 3.528 769 HD3 ARG 101 HD1 ARG 101 -12.071 -22.781 3.938 770 HE ARG 101 HE ARG 101 -13.009 -20.653 2.180 771 HH11 ARG 101 HH11 ARG 101 -12.145 -21.654 5.418 772 HH12 ARG 101 HH12 ARG 101 -11.857 -20.038 5.979 773 HH21 ARG 101 HH21 ARG 101 -12.612 -18.529 2.903 774 HH22 ARG 101 HH22 ARG 101 -12.112 -18.255 4.542 775 H ASP 102 HN ASP 102 -14.338 -26.982 0.908 776 HA ASP 102 HA ASP 102 -13.126 -29.252 2.130 777 HB2 ASP 102 HB2 ASP 102 -15.808 -28.546 1.127 778 HB3 ASP 102 HB1 ASP 102 -15.415 -30.261 1.048 779 H LEU 103 HN LEU 103 -13.532 -28.196 -1.129 780 HA LEU 103 HA LEU 103 -13.076 -30.770 -2.327 781 HB2 LEU 103 HB2 LEU 103 -12.937 -28.005 -3.528 782 HB3 LEU 103 HB1 LEU 103 -12.901 -29.505 -4.433 783 HG LEU 103 HG LEU 103 -15.216 -28.472 -2.799 784 HD11 LEU 103 HD11 LEU 103 -14.865 -27.262 -4.889 785 HD12 LEU 103 HD12 LEU 103 -16.330 -28.242 -4.949 786 HD13 LEU 103 HD13 LEU 103 -14.871 -28.787 -5.774 787 HD21 LEU 103 HD21 LEU 103 -14.960 -30.981 -4.450 788 HD22 LEU 103 HD22 LEU 103 -16.450 -30.377 -3.725 789 HD23 LEU 103 HD23 LEU 103 -15.116 -30.893 -2.696 790 H ARG 104 HN ARG 104 -11.115 -28.600 -0.749 791 HA ARG 104 HA ARG 104 -8.733 -29.035 -2.306 792 HB2 ARG 104 HB2 ARG 104 -8.987 -26.965 -1.026 793 HB3 ARG 104 HB1 ARG 104 -9.106 -27.887 0.466 794 HG2 ARG 104 HG2 ARG 104 -6.813 -28.665 0.181 795 HG3 ARG 104 HG1 ARG 104 -6.692 -27.766 -1.332 796 HD2 ARG 104 HD2 ARG 104 -7.080 -25.680 -0.115 797 HD3 ARG 104 HD1 ARG 104 -7.191 -26.582 1.395 798 HE ARG 104 HE ARG 104 -4.759 -27.301 0.466 799 HH11 ARG 104 HH11 ARG 104 -6.312 -24.191 0.927 800 HH12 ARG 104 HH12 ARG 104 -4.827 -23.346 1.222 801 HH21 ARG 104 HH21 ARG 104 -2.796 -26.183 0.872 802 HH22 ARG 104 HH22 ARG 104 -2.829 -24.480 1.206 803 H GLN 105 HN GLN 105 -8.019 -31.061 -2.395 804 HA GLN 105 HA GLN 105 -8.183 -32.791 -0.067 805 HB2 GLN 105 HB2 GLN 105 -7.085 -33.325 -2.836 806 HB3 GLN 105 HB1 GLN 105 -7.282 -34.529 -1.571 807 HG2 GLN 105 HG2 GLN 105 -9.488 -32.977 -2.907 808 HG3 GLN 105 HG1 GLN 105 -9.079 -34.669 -3.186 809 HE21 GLN 105 HE21 GLN 105 -9.592 -36.202 -1.618 810 HE22 GLN 105 HE22 GLN 105 -10.716 -35.868 -0.347 811 H LEU 106 HN LEU 106 -6.007 -30.621 -1.462 812 HA LEU 106 HA LEU 106 -3.678 -31.873 -0.211 813 HB2 LEU 106 HB2 LEU 106 -3.841 -29.387 -1.918 814 HB3 LEU 106 HB1 LEU 106 -2.372 -30.176 -1.380 815 HG LEU 106 HG LEU 106 -4.395 -31.366 -3.277 816 HD11 LEU 106 HD11 LEU 106 -3.160 -29.501 -4.255 817 HD12 LEU 106 HD12 LEU 106 -2.686 -31.038 -4.972 818 HD13 LEU 106 HD13 LEU 106 -1.639 -30.261 -3.787 819 HD21 LEU 106 HD21 LEU 106 -1.704 -32.378 -2.363 820 HD22 LEU 106 HD22 LEU 106 -2.700 -33.103 -3.624 821 HD23 LEU 106 HD23 LEU 106 -3.272 -33.074 -1.956 Start of MODEL 15 1 H GLY -4 HT1 GLY -4 5.628 -25.207 -8.260 2 HA2 GLY -4 HA1 GLY -4 4.148 -23.427 -8.917 3 HA3 GLY -4 HA2 GLY -4 3.509 -24.321 -7.547 4 H ILE -3 HN ILE -3 2.287 -22.155 -7.567 5 HA ILE -3 HA ILE -3 3.765 -20.033 -6.215 6 HB ILE -3 HB ILE -3 0.873 -20.059 -7.101 7 HG12 ILE -3 HG12 ILE -3 3.289 -18.837 -8.454 8 HG13 ILE -3 HG11 ILE -3 2.454 -20.288 -8.994 9 HG21 ILE -3 HG21 ILE -3 2.670 -17.802 -6.219 10 HG22 ILE -3 HG22 ILE -3 1.300 -18.462 -5.326 11 HG23 ILE -3 HG23 ILE -3 1.034 -17.617 -6.851 12 HD11 ILE -3 HD11 ILE -3 1.813 -18.355 -10.310 13 HD12 ILE -3 HD12 ILE -3 1.274 -17.525 -8.850 14 HD13 ILE -3 HD13 ILE -3 0.439 -18.978 -9.398 15 H ASP -2 HN ASP -2 4.117 -20.933 -4.213 16 HA ASP -2 HA ASP -2 2.029 -22.163 -2.692 17 HB2 ASP -2 HB2 ASP -2 4.849 -21.327 -1.991 18 HB3 ASP -2 HB1 ASP -2 3.781 -22.182 -0.887 19 HA PRO -1 HA PRO -1 0.024 -18.897 -0.629 20 HB2 PRO -1 HB2 PRO -1 0.490 -19.554 2.065 21 HB3 PRO -1 HB1 PRO -1 -0.872 -20.077 1.074 22 HG2 PRO -1 HG2 PRO -1 1.651 -21.512 1.736 23 HG3 PRO -1 HG1 PRO -1 0.016 -22.158 1.504 24 HD2 PRO -1 HD2 PRO -1 1.894 -22.454 -0.372 25 HD3 PRO -1 HD1 PRO -1 0.205 -22.133 -0.813 26 H PHE 0 HN PHE 0 2.970 -19.622 1.282 27 HA PHE 0 HA PHE 0 3.218 -17.004 2.288 28 HB2 PHE 0 HB2 PHE 0 4.277 -18.910 3.391 29 HB3 PHE 0 HB1 PHE 0 5.335 -19.143 2.004 30 HD1 PHE 0 HD1 PHE 0 4.396 -16.519 4.481 31 HD2 PHE 0 HD2 PHE 0 7.446 -18.238 2.059 32 HE1 PHE 0 HE1 PHE 0 6.048 -14.999 5.488 33 HE2 PHE 0 HE2 PHE 0 9.102 -16.719 3.060 34 HZ PHE 0 HZ PHE 0 8.403 -15.097 4.779 35 H THR 1 HN THR 1 4.731 -18.581 -0.515 36 HA THR 1 HA THR 1 6.415 -16.374 -1.116 37 HB THR 1 HB THR 1 6.633 -17.488 -3.374 38 HG1 THR 1 HG1 THR 1 5.328 -19.077 -3.848 39 HG21 THR 1 HG21 THR 1 7.097 -19.228 -0.950 40 HG22 THR 1 HG22 THR 1 8.172 -17.951 -1.516 41 HG23 THR 1 HG23 THR 1 7.905 -19.383 -2.510 42 H LEU 2 HN LEU 2 3.133 -17.236 -1.931 43 HA LEU 2 HA LEU 2 2.729 -15.251 -3.925 44 HB2 LEU 2 HB2 LEU 2 1.216 -17.141 -3.672 45 HB3 LEU 2 HB1 LEU 2 0.787 -16.616 -2.057 46 HG LEU 2 HG LEU 2 -0.271 -14.598 -3.002 47 HD11 LEU 2 HD11 LEU 2 -0.657 -14.454 -5.415 48 HD12 LEU 2 HD12 LEU 2 0.381 -15.858 -5.661 49 HD13 LEU 2 HD13 LEU 2 1.059 -14.362 -5.020 50 HD21 LEU 2 HD21 LEU 2 -1.608 -16.586 -2.572 51 HD22 LEU 2 HD22 LEU 2 -1.238 -17.197 -4.185 52 HD23 LEU 2 HD23 LEU 2 -2.197 -15.729 -3.997 53 H ASN 3 HN ASN 3 2.287 -15.331 -0.416 54 HA ASN 3 HA ASN 3 1.274 -12.728 -0.085 55 HB2 ASN 3 HB2 ASN 3 3.004 -14.369 1.783 56 HB3 ASN 3 HB1 ASN 3 2.168 -12.890 2.237 57 HD21 ASN 3 HD21 ASN 3 -0.193 -13.541 0.622 58 HD22 ASN 3 HD22 ASN 3 -1.021 -14.788 1.488 59 H HIS 4 HN HIS 4 4.577 -13.980 -0.130 60 HA HIS 4 HA HIS 4 5.845 -11.476 0.266 61 HB2 HIS 4 HB2 HIS 4 7.002 -13.607 0.672 62 HB3 HIS 4 HB1 HIS 4 6.911 -13.992 -1.044 63 HD1 HIS 4 HD1 HIS 4 8.762 -13.139 -2.501 64 HD2 HIS 4 HD2 HIS 4 8.744 -11.362 1.254 65 HE1 HIS 4 HE1 HIS 4 10.858 -11.763 -2.396 66 HE2 HIS 4 HE2 HIS 4 10.720 -10.544 -0.198 67 H GLN 5 HN GLN 5 4.693 -13.189 -2.565 68 HA GLN 5 HA GLN 5 6.028 -11.712 -4.538 69 HB2 GLN 5 HB2 GLN 5 4.849 -13.837 -4.973 70 HB3 GLN 5 HB1 GLN 5 3.311 -13.031 -4.701 71 HG2 GLN 5 HG2 GLN 5 3.730 -13.276 -7.064 72 HG3 GLN 5 HG1 GLN 5 3.741 -11.573 -6.616 73 HE21 GLN 5 HE21 GLN 5 4.950 -10.991 -8.398 74 HE22 GLN 5 HE22 GLN 5 6.633 -11.363 -8.541 75 H VAL 6 HN VAL 6 2.673 -11.335 -3.357 76 HA VAL 6 HA VAL 6 2.183 -8.978 -4.813 77 HB VAL 6 HB VAL 6 0.374 -10.364 -3.881 78 HG11 VAL 6 HG11 VAL 6 1.225 -9.246 -1.217 79 HG12 VAL 6 HG12 VAL 6 1.328 -10.930 -1.731 80 HG13 VAL 6 HG13 VAL 6 -0.248 -10.168 -1.518 81 HG21 VAL 6 HG21 VAL 6 -0.116 -8.078 -4.531 82 HG22 VAL 6 HG22 VAL 6 0.332 -7.505 -2.925 83 HG23 VAL 6 HG23 VAL 6 -1.081 -8.540 -3.129 84 H MET 7 HN MET 7 3.692 -9.546 -1.718 85 HA MET 7 HA MET 7 3.570 -6.838 -0.830 86 HB2 MET 7 HB2 MET 7 3.880 -8.907 0.626 87 HB3 MET 7 HB1 MET 7 5.560 -8.895 0.104 88 HG2 MET 7 HG2 MET 7 5.314 -7.802 2.252 89 HG3 MET 7 HG1 MET 7 5.835 -6.652 1.020 90 HE1 MET 7 HE1 MET 7 3.618 -4.334 3.200 91 HE2 MET 7 HE2 MET 7 5.157 -4.518 2.359 92 HE3 MET 7 HE3 MET 7 4.765 -5.568 3.722 93 H ASP 8 HN ASP 8 5.942 -8.779 -2.580 94 HA ASP 8 HA ASP 8 7.998 -6.808 -2.570 95 HB2 ASP 8 HB2 ASP 8 8.315 -9.272 -3.053 96 HB3 ASP 8 HB1 ASP 8 7.585 -8.989 -4.629 97 H GLN 9 HN GLN 9 5.291 -7.547 -4.660 98 HA GLN 9 HA GLN 9 5.940 -5.799 -6.779 99 HB2 GLN 9 HB2 GLN 9 3.267 -6.854 -5.847 100 HB3 GLN 9 HB1 GLN 9 3.515 -5.973 -7.349 101 HG2 GLN 9 HG2 GLN 9 4.820 -8.590 -6.636 102 HG3 GLN 9 HG1 GLN 9 3.412 -8.400 -7.678 103 HE21 GLN 9 HE21 GLN 9 3.666 -7.528 -9.723 104 HE22 GLN 9 HE22 GLN 9 5.213 -7.377 -10.481 105 H VAL 10 HN VAL 10 3.791 -5.367 -3.954 106 HA VAL 10 HA VAL 10 3.181 -2.667 -4.583 107 HB VAL 10 HB VAL 10 1.725 -3.987 -3.112 108 HG11 VAL 10 HG11 VAL 10 3.998 -3.828 -1.146 109 HG12 VAL 10 HG12 VAL 10 3.352 -5.280 -1.907 110 HG13 VAL 10 HG13 VAL 10 2.366 -4.373 -0.764 111 HG21 VAL 10 HG21 VAL 10 1.606 -1.566 -2.974 112 HG22 VAL 10 HG22 VAL 10 2.884 -1.555 -1.759 113 HG23 VAL 10 HG23 VAL 10 1.323 -2.288 -1.390 114 H PHE 11 HN PHE 11 5.705 -4.197 -2.640 115 HA PHE 11 HA PHE 11 6.803 -1.885 -1.498 116 HB2 PHE 11 HB2 PHE 11 7.513 -4.108 -0.791 117 HB3 PHE 11 HB1 PHE 11 8.197 -4.423 -2.381 118 HD1 PHE 11 HD1 PHE 11 8.513 -2.231 0.592 119 HD2 PHE 11 HD2 PHE 11 10.399 -3.827 -2.872 120 HE1 PHE 11 HE1 PHE 11 10.663 -1.294 1.334 121 HE2 PHE 11 HE2 PHE 11 12.552 -2.896 -2.135 122 HZ PHE 11 HZ PHE 11 12.685 -1.627 -0.031 123 H ASP 12 HN ASP 12 7.412 -3.468 -4.590 124 HA ASP 12 HA ASP 12 9.413 -1.793 -5.572 125 HB2 ASP 12 HB2 ASP 12 8.906 -3.829 -6.725 126 HB3 ASP 12 HB1 ASP 12 7.233 -3.346 -6.971 127 H GLN 13 HN GLN 13 5.911 -1.434 -5.575 128 HA GLN 13 HA GLN 13 5.887 0.858 -7.268 129 HB2 GLN 13 HB2 GLN 13 3.960 -0.734 -6.884 130 HB3 GLN 13 HB1 GLN 13 3.736 0.035 -5.320 131 HG2 GLN 13 HG2 GLN 13 2.210 0.917 -7.013 132 HG3 GLN 13 HG1 GLN 13 3.293 2.159 -6.388 133 HE21 GLN 13 HE21 GLN 13 2.498 0.143 -9.105 134 HE22 GLN 13 HE22 GLN 13 3.424 1.013 -10.281 135 H VAL 14 HN VAL 14 5.505 0.423 -3.742 136 HA VAL 14 HA VAL 14 5.234 3.185 -3.200 137 HB VAL 14 HB VAL 14 5.621 2.656 -0.854 138 HG11 VAL 14 HG11 VAL 14 3.418 2.223 -1.771 139 HG12 VAL 14 HG12 VAL 14 3.814 1.028 -0.536 140 HG13 VAL 14 HG13 VAL 14 3.913 0.598 -2.243 141 HG21 VAL 14 HG21 VAL 14 6.108 0.344 -0.147 142 HG22 VAL 14 HG22 VAL 14 7.440 1.076 -1.044 143 HG23 VAL 14 HG23 VAL 14 6.379 -0.088 -1.836 144 H GLU 15 HN GLU 15 8.031 1.067 -3.437 145 HA GLU 15 HA GLU 15 10.017 2.766 -2.467 146 HB2 GLU 15 HB2 GLU 15 10.520 0.476 -3.056 147 HB3 GLU 15 HB1 GLU 15 10.091 0.767 -4.735 148 HG2 GLU 15 HG2 GLU 15 11.987 2.379 -4.864 149 HG3 GLU 15 HG1 GLU 15 12.459 1.867 -3.245 150 H HIS 16 HN HIS 16 8.614 2.509 -5.704 151 HA HIS 16 HA HIS 16 10.168 4.497 -6.936 152 HB2 HIS 16 HB2 HIS 16 8.761 2.843 -8.156 153 HB3 HIS 16 HB1 HIS 16 7.323 3.692 -7.601 154 HD1 HIS 16 HD1 HIS 16 6.387 5.091 -9.411 155 HD2 HIS 16 HD2 HIS 16 10.540 4.937 -9.574 156 HE1 HIS 16 HE1 HIS 16 7.040 6.513 -11.374 157 HE2 HIS 16 HE2 HIS 16 9.556 6.407 -11.461 158 H GLN 17 HN GLN 17 7.135 4.636 -5.144 159 HA GLN 17 HA GLN 17 6.564 7.358 -5.662 160 HB2 GLN 17 HB2 GLN 17 5.746 5.795 -3.209 161 HB3 GLN 17 HB1 GLN 17 4.944 7.202 -3.893 162 HG2 GLN 17 HG2 GLN 17 5.114 4.453 -5.098 163 HG3 GLN 17 HG1 GLN 17 3.688 5.226 -4.414 164 HE21 GLN 17 HE21 GLN 17 4.237 4.146 -7.100 165 HE22 GLN 17 HE22 GLN 17 3.906 5.441 -8.196 166 H ILE 18 HN ILE 18 8.164 5.729 -2.937 167 HA ILE 18 HA ILE 18 8.745 8.006 -1.408 168 HB ILE 18 HB ILE 18 10.281 5.410 -1.630 169 HG12 ILE 18 HG12 ILE 18 8.267 6.343 0.427 170 HG13 ILE 18 HG11 ILE 18 7.930 5.203 -0.872 171 HG21 ILE 18 HG21 ILE 18 11.738 7.100 -0.719 172 HG22 ILE 18 HG22 ILE 18 11.230 6.015 0.576 173 HG23 ILE 18 HG23 ILE 18 10.493 7.609 0.421 174 HD11 ILE 18 HD11 ILE 18 8.282 4.048 1.226 175 HD12 ILE 18 HD12 ILE 18 9.873 4.793 1.389 176 HD13 ILE 18 HD13 ILE 18 9.564 3.651 0.080 177 H ALA 19 HN ALA 19 10.612 6.375 -3.936 178 HA ALA 19 HA ALA 19 12.895 7.998 -3.814 179 HB1 ALA 19 HB1 ALA 19 13.439 7.114 -6.000 180 HB2 ALA 19 HB2 ALA 19 11.780 6.558 -6.216 181 HB3 ALA 19 HB3 ALA 19 12.801 5.832 -4.973 182 H GLN 20 HN GLN 20 9.855 8.377 -5.572 183 HA GLN 20 HA GLN 20 10.651 10.648 -7.068 184 HB2 GLN 20 HB2 GLN 20 7.921 9.665 -6.236 185 HB3 GLN 20 HB1 GLN 20 8.170 11.050 -7.289 186 HG2 GLN 20 HG2 GLN 20 9.346 9.598 -8.883 187 HG3 GLN 20 HG1 GLN 20 9.019 8.217 -7.839 188 HE21 GLN 20 HE21 GLN 20 7.677 10.518 -10.056 189 HE22 GLN 20 HE22 GLN 20 6.159 9.724 -10.280 190 H VAL 21 HN VAL 21 9.089 10.259 -3.917 191 HA VAL 21 HA VAL 21 8.632 12.998 -3.422 192 HB VAL 21 HB VAL 21 9.091 10.759 -1.437 193 HG11 VAL 21 HG11 VAL 21 7.909 13.502 -1.004 194 HG12 VAL 21 HG12 VAL 21 9.470 12.939 -0.408 195 HG13 VAL 21 HG13 VAL 21 7.981 12.208 0.192 196 HG21 VAL 21 HG21 VAL 21 6.541 11.965 -2.508 197 HG22 VAL 21 HG22 VAL 21 6.648 10.729 -1.255 198 HG23 VAL 21 HG23 VAL 21 7.179 10.368 -2.897 199 H LEU 22 HN LEU 22 11.299 10.864 -2.394 200 HA LEU 22 HA LEU 22 12.826 12.846 -1.124 201 HB2 LEU 22 HB2 LEU 22 13.714 10.312 -2.504 202 HB3 LEU 22 HB1 LEU 22 14.758 11.307 -1.507 203 HG LEU 22 HG LEU 22 12.285 9.854 -0.554 204 HD11 LEU 22 HD11 LEU 22 15.212 9.305 -0.075 205 HD12 LEU 22 HD12 LEU 22 14.125 8.341 -1.076 206 HD13 LEU 22 HD13 LEU 22 13.863 8.443 0.665 207 HD21 LEU 22 HD21 LEU 22 13.063 10.512 1.691 208 HD22 LEU 22 HD22 LEU 22 12.623 11.901 0.698 209 HD23 LEU 22 HD23 LEU 22 14.323 11.498 0.947 210 H GLY 23 HN GLY 23 12.809 11.719 -4.475 211 HA2 GLY 23 HA2 GLY 23 14.977 13.270 -5.382 212 HA3 GLY 23 HA1 GLY 23 13.689 12.626 -6.388 213 H ALA 24 HN ALA 24 11.498 13.967 -5.298 214 HA ALA 24 HA ALA 24 11.712 16.425 -6.708 215 HB1 ALA 24 HB1 ALA 24 9.636 15.126 -6.618 216 HB2 ALA 24 HB2 ALA 24 9.396 16.784 -6.067 217 HB3 ALA 24 HB3 ALA 24 9.501 15.473 -4.894 218 H LYS 25 HN LYS 25 11.748 15.587 -3.278 219 HA LYS 25 HA LYS 25 11.572 18.326 -2.435 220 HB2 LYS 25 HB2 LYS 25 10.694 16.486 -1.051 221 HB3 LYS 25 HB1 LYS 25 12.324 15.857 -0.862 222 HG2 LYS 25 HG2 LYS 25 12.987 17.884 0.294 223 HG3 LYS 25 HG1 LYS 25 11.367 18.545 0.090 224 HD2 LYS 25 HD2 LYS 25 11.572 17.669 2.317 225 HD3 LYS 25 HD1 LYS 25 10.481 16.634 1.398 226 HE2 LYS 25 HE2 LYS 25 12.275 15.025 1.050 227 HE3 LYS 25 HE1 LYS 25 13.400 16.076 1.912 228 HZ1 LYS 25 HZ1 LYS 25 10.963 14.837 3.073 229 HZ2 LYS 25 HZ2 LYS 25 12.067 15.820 3.901 230 HZ3 LYS 25 HZ3 LYS 25 12.553 14.303 3.333 231 H GLY 26 HN GLY 26 14.075 16.234 -3.444 232 HA2 GLY 26 HA2 GLY 26 16.248 16.946 -3.977 233 HA3 GLY 26 HA1 GLY 26 16.028 18.337 -2.924 234 H GLY 27 HN GLY 27 15.665 14.858 -2.343 235 HA2 GLY 27 HA2 GLY 27 17.704 15.112 -0.220 236 HA3 GLY 27 HA1 GLY 27 16.286 14.081 -0.081 237 HA PRO 28 HA PRO 28 20.003 11.904 -2.137 238 HB2 PRO 28 HB2 PRO 28 20.972 10.507 -0.022 239 HB3 PRO 28 HB1 PRO 28 21.554 12.118 -0.456 240 HG2 PRO 28 HG2 PRO 28 19.591 11.316 1.652 241 HG3 PRO 28 HG1 PRO 28 20.898 12.511 1.734 242 HD2 PRO 28 HD2 PRO 28 18.298 13.194 1.351 243 HD3 PRO 28 HD1 PRO 28 19.649 14.134 0.688 244 H LEU 29 HN LEU 29 19.613 9.992 -3.052 245 HA LEU 29 HA LEU 29 17.357 8.420 -2.210 246 HB2 LEU 29 HB2 LEU 29 19.413 7.905 -4.364 247 HB3 LEU 29 HB1 LEU 29 17.927 7.004 -4.144 248 HG LEU 29 HG LEU 29 18.101 9.930 -4.872 249 HD11 LEU 29 HD11 LEU 29 18.834 8.499 -6.690 250 HD12 LEU 29 HD12 LEU 29 17.257 9.202 -7.052 251 HD13 LEU 29 HD13 LEU 29 17.376 7.520 -6.530 252 HD21 LEU 29 HD21 LEU 29 15.723 8.089 -4.639 253 HD22 LEU 29 HD22 LEU 29 15.686 9.741 -5.256 254 HD23 LEU 29 HD23 LEU 29 16.106 9.439 -3.571 255 H VAL 30 HN VAL 30 17.542 7.118 -0.530 256 HA VAL 30 HA VAL 30 20.131 5.894 0.062 257 HB VAL 30 HB VAL 30 19.188 5.495 2.331 258 HG11 VAL 30 HG11 VAL 30 19.163 8.353 1.365 259 HG12 VAL 30 HG12 VAL 30 20.572 7.443 1.908 260 HG13 VAL 30 HG13 VAL 30 19.290 7.847 3.049 261 HG21 VAL 30 HG21 VAL 30 17.133 6.659 2.986 262 HG22 VAL 30 HG22 VAL 30 16.816 5.452 1.741 263 HG23 VAL 30 HG23 VAL 30 16.883 7.161 1.314 264 H ALA 31 HN ALA 31 19.879 3.741 1.286 265 HA ALA 31 HA ALA 31 18.604 1.934 -0.557 266 HB1 ALA 31 HB1 ALA 31 20.249 1.384 1.909 267 HB2 ALA 31 HB2 ALA 31 20.844 1.450 0.250 268 HB3 ALA 31 HB3 ALA 31 19.725 0.177 0.736 269 H VAL 32 HN VAL 32 16.424 2.125 -0.266 270 HA VAL 32 HA VAL 32 15.237 1.885 2.349 271 HB VAL 32 HB VAL 32 14.175 3.366 0.757 272 HG11 VAL 32 HG11 VAL 32 13.077 2.525 -1.269 273 HG12 VAL 32 HG12 VAL 32 13.764 0.929 -0.969 274 HG13 VAL 32 HG13 VAL 32 14.824 2.294 -1.318 275 HG21 VAL 32 HG21 VAL 32 11.877 2.549 0.872 276 HG22 VAL 32 HG22 VAL 32 12.738 2.255 2.383 277 HG23 VAL 32 HG23 VAL 32 12.467 0.931 1.252 278 H GLU 33 HN GLU 33 14.489 0.103 3.286 279 HA GLU 33 HA GLU 33 14.339 -2.364 1.681 280 HB2 GLU 33 HB2 GLU 33 15.021 -2.091 4.611 281 HB3 GLU 33 HB1 GLU 33 14.926 -3.598 3.712 282 HG2 GLU 33 HG2 GLU 33 16.831 -3.023 2.406 283 HG3 GLU 33 HG1 GLU 33 16.853 -1.387 3.064 284 H ILE 34 HN ILE 34 12.962 -4.052 3.034 285 HA ILE 34 HA ILE 34 10.324 -3.106 2.998 286 HB ILE 34 HB ILE 34 10.907 -5.454 2.607 287 HG12 ILE 34 HG12 ILE 34 9.116 -6.499 4.005 288 HG13 ILE 34 HG11 ILE 34 9.021 -4.999 4.920 289 HG21 ILE 34 HG21 ILE 34 11.411 -6.956 4.484 290 HG22 ILE 34 HG22 ILE 34 11.519 -5.558 5.554 291 HG23 ILE 34 HG23 ILE 34 12.670 -5.747 4.231 292 HD11 ILE 34 HD11 ILE 34 8.349 -3.802 2.913 293 HD12 ILE 34 HD12 ILE 34 7.263 -5.152 3.242 294 HD13 ILE 34 HD13 ILE 34 8.482 -5.289 1.974 295 H ASP 35 HN ASP 35 12.600 -3.539 5.659 296 HA ASP 35 HA ASP 35 10.545 -2.657 7.561 297 HB2 ASP 35 HB2 ASP 35 11.742 -4.813 7.996 298 HB3 ASP 35 HB1 ASP 35 13.238 -3.902 8.157 299 H SER 36 HN SER 36 11.923 -0.838 5.748 300 HA SER 36 HA SER 36 13.655 0.694 7.509 301 HB2 SER 36 HB2 SER 36 12.684 1.234 4.693 302 HB3 SER 36 HB1 SER 36 13.832 2.241 5.575 303 HG SER 36 HG SER 36 14.717 -0.231 5.741 304 H ARG 37 HN ARG 37 13.103 2.564 8.520 305 HA ARG 37 HA ARG 37 10.252 3.151 8.664 306 HB2 ARG 37 HB2 ARG 37 12.560 4.265 10.270 307 HB3 ARG 37 HB1 ARG 37 10.855 4.547 10.590 308 HG2 ARG 37 HG2 ARG 37 10.561 2.126 10.968 309 HG3 ARG 37 HG1 ARG 37 12.299 1.911 10.751 310 HD2 ARG 37 HD2 ARG 37 10.945 3.571 12.871 311 HD3 ARG 37 HD1 ARG 37 11.738 2.015 13.112 312 HE ARG 37 HE ARG 37 13.740 3.471 12.108 313 HH11 ARG 37 HH11 ARG 37 11.409 4.170 14.626 314 HH12 ARG 37 HH12 ARG 37 12.473 5.220 15.503 315 HH21 ARG 37 HH21 ARG 37 15.152 4.860 13.278 316 HH22 ARG 37 HH22 ARG 37 14.598 5.612 14.736 317 H PHE 38 HN PHE 38 9.331 4.984 7.985 318 HA PHE 38 HA PHE 38 10.448 6.314 5.802 319 HB2 PHE 38 HB2 PHE 38 8.139 7.163 7.556 320 HB3 PHE 38 HB1 PHE 38 8.501 7.821 5.965 321 HD1 PHE 38 HD1 PHE 38 6.799 5.278 7.786 322 HD2 PHE 38 HD2 PHE 38 8.470 6.213 3.988 323 HE1 PHE 38 HE1 PHE 38 5.449 3.498 6.759 324 HE2 PHE 38 HE2 PHE 38 7.121 4.436 2.954 325 HZ PHE 38 HZ PHE 38 5.547 3.132 4.330 326 H SER 39 HN SER 39 10.126 7.334 9.178 327 HA SER 39 HA SER 39 11.056 9.953 8.854 328 HB2 SER 39 HB2 SER 39 11.326 8.151 11.270 329 HB3 SER 39 HB1 SER 39 11.456 9.910 11.271 330 HG SER 39 HG SER 39 9.299 8.607 11.675 331 H ASP 40 HN ASP 40 12.762 6.917 9.184 332 HA ASP 40 HA ASP 40 15.340 8.104 9.604 333 HB2 ASP 40 HB2 ASP 40 14.849 5.851 10.429 334 HB3 ASP 40 HB1 ASP 40 14.567 5.296 8.782 335 H LEU 41 HN LEU 41 13.401 7.188 6.881 336 HA LEU 41 HA LEU 41 15.527 7.214 4.954 337 HB2 LEU 41 HB2 LEU 41 12.537 7.407 4.575 338 HB3 LEU 41 HB1 LEU 41 13.704 7.152 3.292 339 HG LEU 41 HG LEU 41 13.197 5.239 5.575 340 HD11 LEU 41 HD11 LEU 41 12.372 5.084 2.679 341 HD12 LEU 41 HD12 LEU 41 11.296 5.384 4.043 342 HD13 LEU 41 HD13 LEU 41 12.126 3.834 3.898 343 HD21 LEU 41 HD21 LEU 41 15.473 5.088 4.768 344 HD22 LEU 41 HD22 LEU 41 14.906 5.005 3.100 345 HD23 LEU 41 HD23 LEU 41 14.551 3.689 4.217 346 H GLY 42 HN GLY 42 14.010 9.631 6.658 347 HA2 GLY 42 HA2 GLY 42 14.615 11.920 6.412 348 HA3 GLY 42 HA1 GLY 42 14.869 11.639 4.696 349 H LEU 43 HN LEU 43 12.056 10.299 6.128 350 HA LEU 43 HA LEU 43 10.410 12.332 4.786 351 HB2 LEU 43 HB2 LEU 43 9.715 9.508 5.611 352 HB3 LEU 43 HB1 LEU 43 8.644 10.617 4.777 353 HG LEU 43 HG LEU 43 11.256 9.687 3.592 354 HD11 LEU 43 HD11 LEU 43 9.927 8.090 2.290 355 HD12 LEU 43 HD12 LEU 43 8.502 8.515 3.235 356 HD13 LEU 43 HD13 LEU 43 9.876 7.734 4.015 357 HD21 LEU 43 HD21 LEU 43 10.270 11.737 2.657 358 HD22 LEU 43 HD22 LEU 43 8.771 10.858 2.346 359 HD23 LEU 43 HD23 LEU 43 10.253 10.404 1.503 360 H SER 44 HN SER 44 9.276 13.685 6.027 361 HA SER 44 HA SER 44 8.943 13.043 8.864 362 HB2 SER 44 HB2 SER 44 8.348 15.419 9.118 363 HB3 SER 44 HB1 SER 44 9.901 15.244 8.306 364 HG SER 44 HG SER 44 8.768 15.538 6.301 365 H SER 45 HN SER 45 6.680 14.320 9.591 366 HA SER 45 HA SER 45 4.605 12.644 8.718 367 HB2 SER 45 HB2 SER 45 4.628 13.867 10.893 368 HB3 SER 45 HB1 SER 45 4.340 15.369 10.017 369 HG SER 45 HG SER 45 2.381 14.576 10.736 370 H LEU 46 HN LEU 46 5.672 15.820 7.681 371 HA LEU 46 HA LEU 46 3.520 16.441 5.963 372 HB2 LEU 46 HB2 LEU 46 6.422 17.279 5.883 373 HB3 LEU 46 HB1 LEU 46 5.196 17.931 4.817 374 HG LEU 46 HG LEU 46 3.977 18.714 6.907 375 HD11 LEU 46 HD11 LEU 46 5.089 17.332 8.553 376 HD12 LEU 46 HD12 LEU 46 5.376 19.037 8.904 377 HD13 LEU 46 HD13 LEU 46 6.643 18.066 8.156 378 HD21 LEU 46 HD21 LEU 46 5.161 20.238 5.460 379 HD22 LEU 46 HD22 LEU 46 6.691 19.836 6.237 380 HD23 LEU 46 HD23 LEU 46 5.439 20.683 7.143 381 H ASP 47 HN ASP 47 6.622 14.840 5.434 382 HA ASP 47 HA ASP 47 6.347 14.377 2.676 383 HB2 ASP 47 HB2 ASP 47 7.860 12.787 4.756 384 HB3 ASP 47 HB1 ASP 47 8.027 12.577 3.017 385 H LEU 48 HN LEU 48 5.508 12.408 5.496 386 HA LEU 48 HA LEU 48 4.534 10.171 4.143 387 HB2 LEU 48 HB2 LEU 48 3.778 11.369 6.799 388 HB3 LEU 48 HB1 LEU 48 3.093 9.864 6.217 389 HG LEU 48 HG LEU 48 6.030 10.359 6.710 390 HD11 LEU 48 HD11 LEU 48 5.743 8.849 8.611 391 HD12 LEU 48 HD12 LEU 48 4.009 8.779 8.295 392 HD13 LEU 48 HD13 LEU 48 4.754 10.300 8.786 393 HD21 LEU 48 HD21 LEU 48 5.703 8.749 4.948 394 HD22 LEU 48 HD22 LEU 48 4.503 7.886 5.911 395 HD23 LEU 48 HD23 LEU 48 6.192 7.905 6.418 396 H ALA 49 HN ALA 49 2.886 13.144 5.127 397 HA ALA 49 HA ALA 49 0.299 12.471 4.337 398 HB1 ALA 49 HB1 ALA 49 1.606 15.189 4.250 399 HB2 ALA 49 HB2 ALA 49 0.831 14.462 5.658 400 HB3 ALA 49 HB3 ALA 49 -0.128 14.871 4.236 401 H THR 50 HN THR 50 2.962 13.873 2.477 402 HA THR 50 HA THR 50 1.491 14.072 0.046 403 HB THR 50 HB THR 50 4.489 13.932 0.455 404 HG1 THR 50 HG1 THR 50 2.862 15.775 1.277 405 HG21 THR 50 HG21 THR 50 4.623 15.044 -1.730 406 HG22 THR 50 HG22 THR 50 2.870 14.941 -1.890 407 HG23 THR 50 HG23 THR 50 3.841 13.469 -1.860 408 H LEU 51 HN LEU 51 3.791 11.707 1.345 409 HA LEU 51 HA LEU 51 4.012 10.063 -0.898 410 HB2 LEU 51 HB2 LEU 51 5.527 9.932 0.993 411 HB3 LEU 51 HB1 LEU 51 4.230 9.375 2.030 412 HG LEU 51 HG LEU 51 4.070 7.303 0.690 413 HD11 LEU 51 HD11 LEU 51 5.846 6.769 -0.906 414 HD12 LEU 51 HD12 LEU 51 6.490 8.402 -0.731 415 HD13 LEU 51 HD13 LEU 51 4.891 8.154 -1.434 416 HD21 LEU 51 HD21 LEU 51 5.441 7.368 2.707 417 HD22 LEU 51 HD22 LEU 51 6.826 7.906 1.756 418 HD23 LEU 51 HD23 LEU 51 6.145 6.301 1.493 419 H ILE 52 HN ILE 52 1.827 9.733 1.905 420 HA ILE 52 HA ILE 52 0.597 7.362 0.992 421 HB ILE 52 HB ILE 52 -0.494 9.451 2.888 422 HG12 ILE 52 HG12 ILE 52 0.985 6.856 3.395 423 HG13 ILE 52 HG11 ILE 52 1.637 8.474 3.626 424 HG21 ILE 52 HG21 ILE 52 -2.269 8.039 1.983 425 HG22 ILE 52 HG22 ILE 52 -1.981 7.672 3.683 426 HG23 ILE 52 HG23 ILE 52 -1.362 6.595 2.432 427 HD11 ILE 52 HD11 ILE 52 0.002 8.882 5.385 428 HD12 ILE 52 HD12 ILE 52 0.993 7.465 5.735 429 HD13 ILE 52 HD13 ILE 52 -0.658 7.264 5.147 430 H SER 53 HN SER 53 -0.298 10.782 0.633 431 HA SER 53 HA SER 53 -2.737 10.272 -0.722 432 HB2 SER 53 HB2 SER 53 -0.999 12.748 -0.816 433 HB3 SER 53 HB1 SER 53 -2.699 12.652 -1.275 434 HG SER 53 HG SER 53 -1.522 12.695 1.246 435 H ASN 54 HN ASN 54 0.583 10.551 -1.751 436 HA ASN 54 HA ASN 54 0.060 10.721 -4.547 437 HB2 ASN 54 HB2 ASN 54 2.205 11.424 -3.595 438 HB3 ASN 54 HB1 ASN 54 2.525 9.780 -3.061 439 HD21 ASN 54 HD21 ASN 54 4.443 9.758 -4.235 440 HD22 ASN 54 HD22 ASN 54 4.453 9.560 -5.950 441 H LEU 55 HN LEU 55 0.887 8.049 -2.359 442 HA LEU 55 HA LEU 55 0.722 5.996 -4.299 443 HB2 LEU 55 HB2 LEU 55 1.811 5.769 -2.078 444 HB3 LEU 55 HB1 LEU 55 0.231 5.826 -1.323 445 HG LEU 55 HG LEU 55 -0.375 3.741 -2.542 446 HD11 LEU 55 HD11 LEU 55 1.176 3.938 -4.408 447 HD12 LEU 55 HD12 LEU 55 1.421 2.419 -3.549 448 HD13 LEU 55 HD13 LEU 55 2.542 3.756 -3.308 449 HD21 LEU 55 HD21 LEU 55 0.394 3.660 -0.238 450 HD22 LEU 55 HD22 LEU 55 2.070 3.604 -0.782 451 HD23 LEU 55 HD23 LEU 55 0.983 2.261 -1.137 452 H GLU 56 HN GLU 56 -1.621 7.601 -2.276 453 HA GLU 56 HA GLU 56 -3.848 5.961 -2.698 454 HB2 GLU 56 HB2 GLU 56 -3.800 7.714 -1.013 455 HB3 GLU 56 HB1 GLU 56 -3.652 8.945 -2.254 456 HG2 GLU 56 HG2 GLU 56 -5.905 8.788 -1.286 457 HG3 GLU 56 HG1 GLU 56 -5.873 8.523 -3.026 458 H ALA 57 HN ALA 57 -2.371 8.431 -4.705 459 HA ALA 57 HA ALA 57 -4.522 8.547 -6.592 460 HB1 ALA 57 HB1 ALA 57 -1.646 9.415 -6.878 461 HB2 ALA 57 HB2 ALA 57 -2.985 10.420 -6.327 462 HB3 ALA 57 HB3 ALA 57 -2.959 9.819 -7.984 463 H VAL 58 HN VAL 58 -1.954 6.383 -6.002 464 HA VAL 58 HA VAL 58 -1.740 5.406 -8.708 465 HB VAL 58 HB VAL 58 -0.604 4.268 -6.146 466 HG11 VAL 58 HG11 VAL 58 0.051 3.626 -9.021 467 HG12 VAL 58 HG12 VAL 58 -0.794 2.571 -7.888 468 HG13 VAL 58 HG13 VAL 58 0.895 2.996 -7.606 469 HG21 VAL 58 HG21 VAL 58 0.250 6.501 -6.641 470 HG22 VAL 58 HG22 VAL 58 0.684 5.982 -8.270 471 HG23 VAL 58 HG23 VAL 58 1.501 5.280 -6.873 472 H TYR 59 HN TYR 59 -2.768 3.898 -5.616 473 HA TYR 59 HA TYR 59 -4.073 1.790 -7.142 474 HB2 TYR 59 HB2 TYR 59 -3.664 2.167 -4.180 475 HB3 TYR 59 HB1 TYR 59 -4.573 0.829 -4.866 476 HD1 TYR 59 HD1 TYR 59 -3.232 -0.490 -6.777 477 HD2 TYR 59 HD2 TYR 59 -1.449 1.790 -3.658 478 HE1 TYR 59 HE1 TYR 59 -1.143 -1.750 -7.061 479 HE2 TYR 59 HE2 TYR 59 0.646 0.530 -3.927 480 HH TYR 59 HH TYR 59 1.407 -1.625 -4.799 481 H GLY 60 HN GLY 60 -4.993 4.172 -4.672 482 HA2 GLY 60 HA2 GLY 60 -6.931 5.412 -4.522 483 HA3 GLY 60 HA1 GLY 60 -7.524 4.608 -5.965 484 H THR 61 HN THR 61 -6.454 2.497 -3.503 485 HA THR 61 HA THR 61 -9.186 2.167 -2.496 486 HB THR 61 HB THR 61 -8.832 -0.332 -2.633 487 HG1 THR 61 HG1 THR 61 -6.559 -0.220 -3.064 488 HG21 THR 61 HG21 THR 61 -9.015 1.212 -5.225 489 HG22 THR 61 HG22 THR 61 -10.355 0.806 -4.153 490 HG23 THR 61 HG23 THR 61 -9.491 -0.471 -5.007 491 H ASP 62 HN ASP 62 -9.089 2.383 -0.392 492 HA ASP 62 HA ASP 62 -7.786 0.666 1.345 493 HB2 ASP 62 HB2 ASP 62 -5.670 1.673 0.768 494 HB3 ASP 62 HB1 ASP 62 -6.324 3.292 0.993 495 HA PRO 63 HA PRO 63 -10.804 2.999 3.773 496 HB2 PRO 63 HB2 PRO 63 -10.395 0.888 5.751 497 HB3 PRO 63 HB1 PRO 63 -11.865 1.307 4.869 498 HG2 PRO 63 HG2 PRO 63 -10.508 -0.983 4.408 499 HG3 PRO 63 HG1 PRO 63 -11.392 -0.127 3.131 500 HD2 PRO 63 HD2 PRO 63 -8.453 -0.116 3.736 501 HD3 PRO 63 HD1 PRO 63 -9.277 -0.220 2.167 502 H PHE 64 HN PHE 64 -9.989 4.729 4.811 503 HA PHE 64 HA PHE 64 -7.320 4.568 5.883 504 HB2 PHE 64 HB2 PHE 64 -8.397 6.483 4.474 505 HB3 PHE 64 HB1 PHE 64 -8.994 7.044 6.034 506 HD1 PHE 64 HD1 PHE 64 -7.706 8.608 7.120 507 HD2 PHE 64 HD2 PHE 64 -5.814 5.785 4.558 508 HE1 PHE 64 HE1 PHE 64 -5.532 9.671 7.562 509 HE2 PHE 64 HE2 PHE 64 -3.636 6.845 4.993 510 HZ PHE 64 HZ PHE 64 -3.492 8.789 6.498 511 H ALA 65 HN ALA 65 -10.174 3.797 7.197 512 HA ALA 65 HA ALA 65 -10.087 5.020 9.743 513 HB1 ALA 65 HB1 ALA 65 -11.561 3.186 10.451 514 HB2 ALA 65 HB2 ALA 65 -11.247 2.358 8.925 515 HB3 ALA 65 HB3 ALA 65 -12.087 3.908 8.933 516 H ASP 66 HN ASP 66 -8.366 2.366 8.317 517 HA ASP 66 HA ASP 66 -7.416 1.221 10.756 518 HB2 ASP 66 HB2 ASP 66 -7.501 -0.078 8.672 519 HB3 ASP 66 HB1 ASP 66 -6.322 1.004 7.941 520 H ALA 67 HN ALA 67 -6.163 3.578 8.449 521 HA ALA 67 HA ALA 67 -3.767 3.946 10.081 522 HB1 ALA 67 HB1 ALA 67 -2.923 5.281 8.224 523 HB2 ALA 67 HB2 ALA 67 -4.470 5.116 7.392 524 HB3 ALA 67 HB3 ALA 67 -3.462 3.696 7.671 525 H VAL 68 HN VAL 68 -6.457 4.836 10.932 526 HA VAL 68 HA VAL 68 -6.669 7.637 10.730 527 HB VAL 68 HB VAL 68 -8.502 6.124 11.510 528 HG11 VAL 68 HG11 VAL 68 -8.589 5.468 13.860 529 HG12 VAL 68 HG12 VAL 68 -6.960 6.102 14.100 530 HG13 VAL 68 HG13 VAL 68 -7.222 4.722 13.033 531 HG21 VAL 68 HG21 VAL 68 -8.701 8.514 11.807 532 HG22 VAL 68 HG22 VAL 68 -7.801 8.429 13.321 533 HG23 VAL 68 HG23 VAL 68 -9.393 7.679 13.199 534 H ALA 69 HN ALA 69 -4.756 5.552 12.731 535 HA ALA 69 HA ALA 69 -3.616 7.881 14.109 536 HB1 ALA 69 HB1 ALA 69 -3.290 4.940 14.721 537 HB2 ALA 69 HB2 ALA 69 -4.360 6.054 15.571 538 HB3 ALA 69 HB3 ALA 69 -2.613 6.274 15.654 539 H ILE 70 HN ILE 70 -1.986 8.724 12.963 540 HA ILE 70 HA ILE 70 -0.667 7.388 10.870 541 HB ILE 70 HB ILE 70 -0.906 9.849 11.021 542 HG12 ILE 70 HG12 ILE 70 1.417 10.418 10.252 543 HG13 ILE 70 HG11 ILE 70 1.915 8.798 10.730 544 HG21 ILE 70 HG21 ILE 70 1.231 9.645 13.136 545 HG22 ILE 70 HG22 ILE 70 -0.438 10.160 13.374 546 HG23 ILE 70 HG23 ILE 70 0.657 11.142 12.401 547 HD11 ILE 70 HD11 ILE 70 1.506 8.935 8.340 548 HD12 ILE 70 HD12 ILE 70 -0.149 9.463 8.643 549 HD13 ILE 70 HD13 ILE 70 0.359 7.842 9.114 550 H THR 71 HN THR 71 -0.116 7.361 14.244 551 HA THR 71 HA THR 71 2.661 6.864 14.304 552 HB THR 71 HB THR 71 2.126 5.844 16.576 553 HG1 THR 71 HG1 THR 71 -0.006 5.222 16.281 554 HG21 THR 71 HG21 THR 71 1.558 8.026 17.565 555 HG22 THR 71 HG22 THR 71 1.133 8.632 15.965 556 HG23 THR 71 HG23 THR 71 2.800 8.176 16.322 557 H SER 72 HN SER 72 0.076 4.910 13.261 558 HA SER 72 HA SER 72 1.301 2.378 13.875 559 HB2 SER 72 HB2 SER 72 -0.511 1.429 12.485 560 HB3 SER 72 HB1 SER 72 -1.138 2.545 13.696 561 HG SER 72 HG SER 72 -1.584 4.007 12.157 562 H ILE 73 HN ILE 73 1.404 4.700 11.319 563 HA ILE 73 HA ILE 73 2.593 2.920 9.383 564 HB ILE 73 HB ILE 73 2.432 5.944 9.360 565 HG12 ILE 73 HG12 ILE 73 0.200 4.899 9.458 566 HG13 ILE 73 HG11 ILE 73 0.484 5.677 7.906 567 HG21 ILE 73 HG21 ILE 73 2.970 3.989 7.128 568 HG22 ILE 73 HG22 ILE 73 4.141 5.086 7.860 569 HG23 ILE 73 HG23 ILE 73 2.781 5.733 6.944 570 HD11 ILE 73 HD11 ILE 73 -0.640 3.554 7.622 571 HD12 ILE 73 HD12 ILE 73 0.665 2.726 8.469 572 HD13 ILE 73 HD13 ILE 73 0.973 3.496 6.913 573 H VAL 74 HN VAL 74 4.419 2.103 10.392 574 HA VAL 74 HA VAL 74 6.413 4.039 11.339 575 HB VAL 74 HB VAL 74 6.277 1.058 11.822 576 HG11 VAL 74 HG11 VAL 74 8.064 3.171 13.020 577 HG12 VAL 74 HG12 VAL 74 8.555 1.905 11.897 578 HG13 VAL 74 HG13 VAL 74 8.001 1.481 13.516 579 HG21 VAL 74 HG21 VAL 74 4.442 2.212 12.922 580 HG22 VAL 74 HG22 VAL 74 5.571 3.362 13.638 581 HG23 VAL 74 HG23 VAL 74 5.623 1.664 14.111 582 H THR 75 HN THR 75 6.353 0.893 9.652 583 HA THR 75 HA THR 75 8.830 1.705 8.288 584 HB THR 75 HB THR 75 9.174 -0.703 7.829 585 HG1 THR 75 HG1 THR 75 6.719 -0.898 9.254 586 HG21 THR 75 HG21 THR 75 10.203 0.303 9.801 587 HG22 THR 75 HG22 THR 75 9.738 -1.367 10.121 588 HG23 THR 75 HG23 THR 75 8.755 -0.043 10.746 589 H VAL 76 HN VAL 76 9.084 0.832 6.039 590 HA VAL 76 HA VAL 76 7.089 1.749 4.336 591 HB VAL 76 HB VAL 76 9.189 -0.348 3.727 592 HG11 VAL 76 HG11 VAL 76 7.434 -0.340 2.046 593 HG12 VAL 76 HG12 VAL 76 8.916 0.355 1.390 594 HG13 VAL 76 HG13 VAL 76 7.585 1.409 1.870 595 HG21 VAL 76 HG21 VAL 76 10.214 1.684 4.540 596 HG22 VAL 76 HG22 VAL 76 9.240 2.655 3.438 597 HG23 VAL 76 HG23 VAL 76 10.464 1.559 2.799 598 H ALA 77 HN ALA 77 7.702 -1.473 5.587 599 HA ALA 77 HA ALA 77 5.904 -2.976 4.118 600 HB1 ALA 77 HB1 ALA 77 5.959 -4.567 5.933 601 HB2 ALA 77 HB2 ALA 77 6.570 -3.333 7.035 602 HB3 ALA 77 HB3 ALA 77 7.568 -3.888 5.694 603 H ASP 78 HN ASP 78 5.298 -0.864 6.879 604 HA ASP 78 HA ASP 78 2.726 -1.873 7.492 605 HB2 ASP 78 HB2 ASP 78 3.977 0.812 8.088 606 HB3 ASP 78 HB1 ASP 78 2.423 0.287 8.728 607 H LEU 79 HN LEU 79 3.796 0.852 5.501 608 HA LEU 79 HA LEU 79 1.144 1.710 4.886 609 HB2 LEU 79 HB2 LEU 79 3.093 3.221 4.821 610 HB3 LEU 79 HB1 LEU 79 3.739 2.315 3.467 611 HG LEU 79 HG LEU 79 1.763 2.971 2.118 612 HD11 LEU 79 HD11 LEU 79 1.111 4.710 4.495 613 HD12 LEU 79 HD12 LEU 79 0.177 3.322 3.936 614 HD13 LEU 79 HD13 LEU 79 0.309 4.760 2.924 615 HD21 LEU 79 HD21 LEU 79 3.823 4.242 1.952 616 HD22 LEU 79 HD22 LEU 79 3.342 5.240 3.324 617 HD23 LEU 79 HD23 LEU 79 2.430 5.314 1.817 618 H ALA 80 HN ALA 80 3.578 -0.232 3.213 619 HA ALA 80 HA ALA 80 2.116 -0.564 0.811 620 HB1 ALA 80 HB1 ALA 80 4.258 -2.329 1.994 621 HB2 ALA 80 HB2 ALA 80 4.528 -0.933 0.952 622 HB3 ALA 80 HB3 ALA 80 3.699 -2.355 0.322 623 H ARG 81 HN ARG 81 2.201 -2.306 3.841 624 HA ARG 81 HA ARG 81 0.948 -4.688 3.160 625 HB2 ARG 81 HB2 ARG 81 2.007 -4.153 5.343 626 HB3 ARG 81 HB1 ARG 81 0.641 -3.119 5.724 627 HG2 ARG 81 HG2 ARG 81 -0.841 -5.076 5.637 628 HG3 ARG 81 HG1 ARG 81 0.561 -6.099 5.310 629 HD2 ARG 81 HD2 ARG 81 0.098 -4.416 7.767 630 HD3 ARG 81 HD1 ARG 81 0.008 -6.173 7.673 631 HE ARG 81 HE ARG 81 2.430 -6.109 7.125 632 HH11 ARG 81 HH11 ARG 81 0.977 -3.451 8.907 633 HH12 ARG 81 HH12 ARG 81 2.485 -2.928 9.601 634 HH21 ARG 81 HH21 ARG 81 4.392 -5.434 8.058 635 HH22 ARG 81 HH22 ARG 81 4.415 -4.080 9.141 636 H ALA 82 HN ALA 82 -0.462 -1.572 4.040 637 HA ALA 82 HA ALA 82 -3.130 -2.375 4.268 638 HB1 ALA 82 HB1 ALA 82 -3.689 -0.019 3.966 639 HB2 ALA 82 HB2 ALA 82 -2.057 0.299 3.377 640 HB3 ALA 82 HB3 ALA 82 -2.308 -0.209 5.046 641 H TYR 83 HN TYR 83 -1.377 -1.068 1.469 642 HA TYR 83 HA TYR 83 -3.674 -1.314 -0.234 643 HB2 TYR 83 HB2 TYR 83 -0.798 -0.577 -0.740 644 HB3 TYR 83 HB1 TYR 83 -1.974 -0.723 -2.043 645 HD1 TYR 83 HD1 TYR 83 -1.101 1.187 1.005 646 HD2 TYR 83 HD2 TYR 83 -3.594 0.975 -2.435 647 HE1 TYR 83 HE1 TYR 83 -1.828 3.505 1.393 648 HE2 TYR 83 HE2 TYR 83 -4.323 3.291 -2.059 649 HH TYR 83 HH TYR 83 -4.460 4.928 -0.343 650 H ALA 84 HN ALA 84 -1.109 -3.387 0.720 651 HA ALA 84 HA ALA 84 -1.145 -5.121 -1.548 652 HB1 ALA 84 HB1 ALA 84 0.739 -5.012 0.044 653 HB2 ALA 84 HB2 ALA 84 0.134 -6.651 -0.181 654 HB3 ALA 84 HB3 ALA 84 -0.285 -5.749 1.275 655 H GLN 85 HN GLN 85 -3.099 -4.768 1.280 656 HA GLN 85 HA GLN 85 -4.301 -7.379 1.112 657 HB2 GLN 85 HB2 GLN 85 -5.100 -4.922 2.678 658 HB3 GLN 85 HB1 GLN 85 -5.861 -6.500 2.833 659 HG2 GLN 85 HG2 GLN 85 -2.980 -5.868 3.424 660 HG3 GLN 85 HG1 GLN 85 -4.260 -6.092 4.614 661 HE21 GLN 85 HE21 GLN 85 -2.175 -7.654 2.318 662 HE22 GLN 85 HE22 GLN 85 -2.462 -9.275 2.851 663 H GLN 86 HN GLN 86 -4.648 -4.491 -0.551 664 HA GLN 86 HA GLN 86 -7.459 -4.808 -1.166 665 HB2 GLN 86 HB2 GLN 86 -5.371 -2.880 -2.195 666 HB3 GLN 86 HB1 GLN 86 -7.061 -2.856 -2.679 667 HG2 GLN 86 HG2 GLN 86 -6.070 -2.502 0.141 668 HG3 GLN 86 HG1 GLN 86 -6.528 -1.193 -0.946 669 HE21 GLN 86 HE21 GLN 86 -7.669 -3.819 1.020 670 HE22 GLN 86 HE22 GLN 86 -9.343 -3.388 0.982 671 H GLY 87 HN GLY 87 -8.144 -4.907 -3.474 672 HA2 GLY 87 HA2 GLY 87 -7.880 -5.792 -5.643 673 HA3 GLY 87 HA1 GLY 87 -6.297 -6.406 -5.175 674 H VAL 88 HN VAL 88 -9.281 -6.795 -3.392 675 HA VAL 88 HA VAL 88 -9.157 -9.692 -3.896 676 HB VAL 88 HB VAL 88 -10.129 -9.983 -1.594 677 HG11 VAL 88 HG11 VAL 88 -7.986 -9.679 -0.428 678 HG12 VAL 88 HG12 VAL 88 -7.404 -8.699 -1.774 679 HG13 VAL 88 HG13 VAL 88 -7.776 -10.406 -2.021 680 HG21 VAL 88 HG21 VAL 88 -9.342 -7.084 -1.292 681 HG22 VAL 88 HG22 VAL 88 -9.859 -8.150 0.014 682 HG23 VAL 88 HG23 VAL 88 -10.987 -7.721 -1.272 683 HA PRO 89 HA PRO 89 -13.323 -9.213 -5.229 684 HB2 PRO 89 HB2 PRO 89 -14.106 -11.795 -5.225 685 HB3 PRO 89 HB1 PRO 89 -12.964 -11.153 -6.409 686 HG2 PRO 89 HG2 PRO 89 -12.449 -12.777 -3.963 687 HG3 PRO 89 HG1 PRO 89 -11.658 -12.849 -5.545 688 HD2 PRO 89 HD2 PRO 89 -10.615 -11.583 -3.331 689 HD3 PRO 89 HD1 PRO 89 -10.177 -11.202 -5.006 690 H GLY 90 HN GLY 90 -14.622 -8.201 -3.822 691 HA2 GLY 90 HA2 GLY 90 -15.655 -9.761 -1.538 692 HA3 GLY 90 HA1 GLY 90 -15.558 -8.005 -1.574 693 HA PRO 91 HA PRO 91 -19.836 -9.655 -2.925 694 HB2 PRO 91 HB2 PRO 91 -20.655 -7.742 -0.808 695 HB3 PRO 91 HB1 PRO 91 -21.266 -9.362 -1.157 696 HG2 PRO 91 HG2 PRO 91 -19.703 -8.919 0.955 697 HG3 PRO 91 HG1 PRO 91 -19.545 -10.403 -0.003 698 HD2 PRO 91 HD2 PRO 91 -17.831 -7.952 -0.005 699 HD3 PRO 91 HD1 PRO 91 -17.357 -9.659 -0.126 700 H SER 92 HN SER 92 -20.366 -8.634 -4.750 701 HA SER 92 HA SER 92 -19.663 -6.008 -5.402 702 HB2 SER 92 HB2 SER 92 -21.844 -7.729 -6.607 703 HB3 SER 92 HB1 SER 92 -21.125 -6.308 -7.360 704 HG SER 92 HG SER 92 -19.058 -7.542 -7.044 705 HA PRO 93 HA PRO 93 -22.752 -3.799 -3.061 706 HB2 PRO 93 HB2 PRO 93 -22.234 -1.335 -4.105 707 HB3 PRO 93 HB1 PRO 93 -21.233 -2.095 -2.865 708 HG2 PRO 93 HG2 PRO 93 -20.797 -1.938 -5.818 709 HG3 PRO 93 HG1 PRO 93 -19.629 -1.732 -4.500 710 HD2 PRO 93 HD2 PRO 93 -19.824 -4.024 -5.915 711 HD3 PRO 93 HD1 PRO 93 -19.379 -4.006 -4.196 712 H ASP 94 HN ASP 94 -22.497 -3.877 -6.517 713 HA ASP 94 HA ASP 94 -25.313 -3.046 -6.719 714 HB2 ASP 94 HB2 ASP 94 -23.139 -2.813 -8.811 715 HB3 ASP 94 HB1 ASP 94 -24.833 -2.404 -9.062 716 HA PRO 95 HA PRO 95 -25.698 -7.444 -7.614 717 HB2 PRO 95 HB2 PRO 95 -28.518 -6.626 -8.008 718 HB3 PRO 95 HB1 PRO 95 -27.847 -7.877 -6.959 719 HG2 PRO 95 HG2 PRO 95 -28.779 -5.595 -5.946 720 HG3 PRO 95 HG1 PRO 95 -27.337 -6.377 -5.271 721 HD2 PRO 95 HD2 PRO 95 -27.534 -4.013 -7.096 722 HD3 PRO 95 HD1 PRO 95 -26.452 -4.284 -5.713 723 H LEU 96 HN LEU 96 -26.416 -4.735 -9.557 724 HA LEU 96 HA LEU 96 -27.541 -5.937 -11.833 725 HB2 LEU 96 HB2 LEU 96 -25.893 -3.438 -11.491 726 HB3 LEU 96 HB1 LEU 96 -26.548 -3.924 -13.039 727 HG LEU 96 HG LEU 96 -28.012 -2.282 -12.184 728 HD11 LEU 96 HD11 LEU 96 -30.112 -3.451 -11.956 729 HD12 LEU 96 HD12 LEU 96 -29.267 -4.949 -11.581 730 HD13 LEU 96 HD13 LEU 96 -29.112 -4.229 -13.183 731 HD21 LEU 96 HD21 LEU 96 -27.235 -2.417 -9.825 732 HD22 LEU 96 HD22 LEU 96 -28.269 -3.831 -9.614 733 HD23 LEU 96 HD23 LEU 96 -28.981 -2.267 -10.002 734 H ASP 97 HN ASP 97 -24.309 -5.794 -10.629 735 HA ASP 97 HA ASP 97 -22.845 -6.313 -12.958 736 HB2 ASP 97 HB2 ASP 97 -21.858 -5.649 -10.780 737 HB3 ASP 97 HB1 ASP 97 -22.256 -7.237 -10.136 738 H ALA 98 HN ALA 98 -23.900 -8.629 -10.461 739 HA ALA 98 HA ALA 98 -23.242 -10.901 -12.054 740 HB1 ALA 98 HB1 ALA 98 -24.971 -10.754 -9.591 741 HB2 ALA 98 HB2 ALA 98 -23.220 -10.945 -9.599 742 HB3 ALA 98 HB3 ALA 98 -24.246 -12.207 -10.279 743 H GLN 99 HN GLN 99 -26.093 -8.970 -11.572 744 HA GLN 99 HA GLN 99 -28.050 -10.715 -12.556 745 HB2 GLN 99 HB2 GLN 99 -28.364 -8.453 -11.423 746 HB3 GLN 99 HB1 GLN 99 -28.015 -7.729 -12.986 747 HG2 GLN 99 HG2 GLN 99 -29.931 -8.946 -13.941 748 HG3 GLN 99 HG1 GLN 99 -30.301 -9.573 -12.334 749 HE21 GLN 99 HE21 GLN 99 -30.385 -6.821 -14.423 750 HE22 GLN 99 HE22 GLN 99 -31.321 -5.801 -13.385 751 H LEU 100 HN LEU 100 -26.044 -8.305 -14.232 752 HA LEU 100 HA LEU 100 -27.087 -8.974 -16.818 753 HB2 LEU 100 HB2 LEU 100 -26.152 -6.733 -16.164 754 HB3 LEU 100 HB1 LEU 100 -24.560 -7.463 -16.165 755 HG LEU 100 HG LEU 100 -24.861 -8.014 -18.574 756 HD11 LEU 100 HD11 LEU 100 -26.657 -6.848 -19.799 757 HD12 LEU 100 HD12 LEU 100 -27.366 -6.368 -18.258 758 HD13 LEU 100 HD13 LEU 100 -27.270 -8.074 -18.691 759 HD21 LEU 100 HD21 LEU 100 -25.139 -5.105 -17.840 760 HD22 LEU 100 HD22 LEU 100 -24.537 -5.729 -19.374 761 HD23 LEU 100 HD23 LEU 100 -23.637 -6.028 -17.888 762 H ARG 101 HN ARG 101 -24.398 -9.962 -14.846 763 HA ARG 101 HA ARG 101 -22.805 -11.300 -16.698 764 HB2 ARG 101 HB2 ARG 101 -22.183 -10.949 -14.345 765 HB3 ARG 101 HB1 ARG 101 -23.442 -12.066 -13.841 766 HG2 ARG 101 HG2 ARG 101 -22.199 -13.780 -15.311 767 HG3 ARG 101 HG1 ARG 101 -20.852 -12.644 -15.213 768 HD2 ARG 101 HD2 ARG 101 -20.613 -14.272 -13.464 769 HD3 ARG 101 HD1 ARG 101 -21.035 -12.722 -12.738 770 HE ARG 101 HE ARG 101 -23.317 -14.398 -13.275 771 HH11 ARG 101 HH11 ARG 101 -20.785 -13.670 -10.951 772 HH12 ARG 101 HH12 ARG 101 -21.676 -14.310 -9.606 773 HH21 ARG 101 HH21 ARG 101 -24.472 -15.226 -11.515 774 HH22 ARG 101 HH22 ARG 101 -23.779 -15.184 -9.920 775 H ASP 102 HN ASP 102 -25.675 -12.369 -14.941 776 HA ASP 102 HA ASP 102 -25.626 -14.959 -16.273 777 HB2 ASP 102 HB2 ASP 102 -27.340 -13.781 -14.094 778 HB3 ASP 102 HB1 ASP 102 -27.743 -15.309 -14.865 779 H LEU 103 HN LEU 103 -26.488 -12.066 -17.269 780 HA LEU 103 HA LEU 103 -27.934 -11.162 -18.758 781 HB2 LEU 103 HB2 LEU 103 -27.900 -14.041 -19.596 782 HB3 LEU 103 HB1 LEU 103 -28.902 -12.880 -20.438 783 HG LEU 103 HG LEU 103 -26.888 -13.143 -21.683 784 HD11 LEU 103 HD11 LEU 103 -26.048 -10.897 -21.768 785 HD12 LEU 103 HD12 LEU 103 -26.646 -10.567 -20.145 786 HD13 LEU 103 HD13 LEU 103 -27.784 -10.852 -21.461 787 HD21 LEU 103 HD21 LEU 103 -25.483 -14.074 -19.910 788 HD22 LEU 103 HD22 LEU 103 -25.367 -12.479 -19.166 789 HD23 LEU 103 HD23 LEU 103 -24.672 -12.761 -20.763 790 H ARG 104 HN ARG 104 -29.066 -11.643 -16.253 791 HA ARG 104 HA ARG 104 -31.638 -12.907 -16.620 792 HB2 ARG 104 HB2 ARG 104 -30.598 -11.296 -14.283 793 HB3 ARG 104 HB1 ARG 104 -32.050 -12.287 -14.290 794 HG2 ARG 104 HG2 ARG 104 -30.675 -14.281 -14.662 795 HG3 ARG 104 HG1 ARG 104 -29.227 -13.274 -14.620 796 HD2 ARG 104 HD2 ARG 104 -29.940 -12.541 -12.323 797 HD3 ARG 104 HD1 ARG 104 -31.180 -13.792 -12.390 798 HE ARG 104 HE ARG 104 -28.509 -14.743 -12.913 799 HH11 ARG 104 HH11 ARG 104 -30.942 -14.131 -10.481 800 HH12 ARG 104 HH12 ARG 104 -30.213 -15.178 -9.306 801 HH21 ARG 104 HH21 ARG 104 -27.522 -16.097 -11.378 802 HH22 ARG 104 HH22 ARG 104 -28.254 -16.289 -9.810 803 H GLN 105 HN GLN 105 -33.352 -11.943 -17.430 804 HA GLN 105 HA GLN 105 -33.357 -9.078 -17.864 805 HB2 GLN 105 HB2 GLN 105 -35.367 -11.218 -18.592 806 HB3 GLN 105 HB1 GLN 105 -35.482 -9.531 -19.072 807 HG2 GLN 105 HG2 GLN 105 -33.162 -11.299 -19.790 808 HG3 GLN 105 HG1 GLN 105 -34.591 -11.108 -20.803 809 HE21 GLN 105 HE21 GLN 105 -33.425 -10.234 -22.482 810 HE22 GLN 105 HE22 GLN 105 -32.764 -8.635 -22.433 811 H LEU 106 HN LEU 106 -34.126 -10.981 -15.336 812 HA LEU 106 HA LEU 106 -35.284 -10.731 -13.414 813 HB2 LEU 106 HB2 LEU 106 -35.814 -7.969 -14.499 814 HB3 LEU 106 HB1 LEU 106 -36.352 -8.507 -12.921 815 HG LEU 106 HG LEU 106 -33.478 -8.300 -13.820 816 HD11 LEU 106 HD11 LEU 106 -34.533 -6.125 -13.487 817 HD12 LEU 106 HD12 LEU 106 -33.351 -6.461 -12.222 818 HD13 LEU 106 HD13 LEU 106 -35.074 -6.627 -11.886 819 HD21 LEU 106 HD21 LEU 106 -33.766 -10.116 -12.241 820 HD22 LEU 106 HD22 LEU 106 -34.672 -9.062 -11.158 821 HD23 LEU 106 HD23 LEU 106 -32.960 -8.757 -11.457 Start of MODEL 16 1 H GLY -4 HT1 GLY -4 8.427 -23.282 -8.033 2 HA2 GLY -4 HA1 GLY -4 6.987 -22.022 -10.291 3 HA3 GLY -4 HA2 GLY -4 6.311 -23.243 -9.224 4 H ILE -3 HN ILE -3 5.153 -20.721 -9.546 5 HA ILE -3 HA ILE -3 5.943 -19.076 -7.307 6 HB ILE -3 HB ILE -3 3.482 -18.831 -9.049 7 HG12 ILE -3 HG12 ILE -3 6.164 -17.439 -9.267 8 HG13 ILE -3 HG11 ILE -3 5.583 -18.700 -10.349 9 HG21 ILE -3 HG21 ILE -3 3.278 -17.657 -6.923 10 HG22 ILE -3 HG22 ILE -3 3.440 -16.510 -8.253 11 HG23 ILE -3 HG23 ILE -3 4.821 -16.849 -7.208 12 HD11 ILE -3 HD11 ILE -3 3.780 -17.248 -11.087 13 HD12 ILE -3 HD12 ILE -3 5.350 -16.485 -11.330 14 HD13 ILE -3 HD13 ILE -3 4.328 -15.990 -9.980 15 H ASP -2 HN ASP -2 5.734 -20.579 -5.637 16 HA ASP -2 HA ASP -2 3.268 -21.887 -5.039 17 HB2 ASP -2 HB2 ASP -2 5.790 -21.460 -3.421 18 HB3 ASP -2 HB1 ASP -2 4.445 -22.462 -2.897 19 HA PRO -1 HA PRO -1 0.868 -19.139 -2.540 20 HB2 PRO -1 HB2 PRO -1 1.739 -20.734 -0.157 21 HB3 PRO -1 HB1 PRO -1 0.126 -20.151 -0.582 22 HG2 PRO -1 HG2 PRO -1 0.782 -22.679 -1.030 23 HG3 PRO -1 HG1 PRO -1 -0.175 -21.775 -2.216 24 HD2 PRO -1 HD2 PRO -1 2.672 -22.605 -2.322 25 HD3 PRO -1 HD1 PRO -1 1.518 -22.364 -3.645 26 H PHE 0 HN PHE 0 3.845 -20.047 -0.782 27 HA PHE 0 HA PHE 0 4.018 -17.608 0.651 28 HB2 PHE 0 HB2 PHE 0 5.106 -19.782 1.297 29 HB3 PHE 0 HB1 PHE 0 6.278 -19.512 0.014 30 HD1 PHE 0 HD1 PHE 0 4.831 -17.701 2.932 31 HD2 PHE 0 HD2 PHE 0 8.283 -18.579 0.609 32 HE1 PHE 0 HE1 PHE 0 6.212 -16.408 4.505 33 HE2 PHE 0 HE2 PHE 0 9.671 -17.286 2.173 34 HZ PHE 0 HZ PHE 0 8.635 -16.197 4.124 35 H THR 1 HN THR 1 5.509 -18.767 -2.339 36 HA THR 1 HA THR 1 7.151 -16.561 -2.858 37 HB THR 1 HB THR 1 5.771 -18.221 -4.967 38 HG1 THR 1 HG1 THR 1 7.804 -18.909 -3.124 39 HG21 THR 1 HG21 THR 1 7.143 -16.353 -5.747 40 HG22 THR 1 HG22 THR 1 7.878 -17.899 -6.169 41 HG23 THR 1 HG23 THR 1 8.507 -16.963 -4.814 42 H LEU 2 HN LEU 2 3.828 -17.316 -3.821 43 HA LEU 2 HA LEU 2 3.332 -15.052 -5.396 44 HB2 LEU 2 HB2 LEU 2 1.930 -17.081 -5.347 45 HB3 LEU 2 HB1 LEU 2 1.396 -16.667 -3.731 46 HG LEU 2 HG LEU 2 0.326 -14.626 -4.624 47 HD11 LEU 2 HD11 LEU 2 0.052 -14.393 -7.054 48 HD12 LEU 2 HD12 LEU 2 1.175 -15.731 -7.296 49 HD13 LEU 2 HD13 LEU 2 1.735 -14.234 -6.554 50 HD21 LEU 2 HD21 LEU 2 -0.487 -17.205 -5.954 51 HD22 LEU 2 HD22 LEU 2 -1.505 -15.776 -5.792 52 HD23 LEU 2 HD23 LEU 2 -0.980 -16.651 -4.355 53 H ASN 3 HN ASN 3 2.914 -15.638 -1.942 54 HA ASN 3 HA ASN 3 1.724 -13.226 -1.205 55 HB2 ASN 3 HB2 ASN 3 1.953 -15.119 0.331 56 HB3 ASN 3 HB1 ASN 3 3.703 -14.929 0.332 57 HD21 ASN 3 HD21 ASN 3 4.634 -13.318 1.543 58 HD22 ASN 3 HD22 ASN 3 3.750 -12.386 2.701 59 H HIS 4 HN HIS 4 5.150 -14.077 -1.561 60 HA HIS 4 HA HIS 4 6.137 -11.522 -0.818 61 HB2 HIS 4 HB2 HIS 4 7.441 -13.726 -0.911 62 HB3 HIS 4 HB1 HIS 4 7.559 -13.457 -2.645 63 HD1 HIS 4 HD1 HIS 4 9.726 -13.280 -0.057 64 HD2 HIS 4 HD2 HIS 4 8.484 -10.358 -2.735 65 HE1 HIS 4 HE1 HIS 4 11.533 -11.537 -0.040 66 HE2 HIS 4 HE2 HIS 4 10.669 -9.694 -1.523 67 H GLN 5 HN GLN 5 5.211 -12.978 -3.904 68 HA GLN 5 HA GLN 5 6.159 -11.008 -5.645 69 HB2 GLN 5 HB2 GLN 5 3.630 -12.652 -5.892 70 HB3 GLN 5 HB1 GLN 5 4.376 -11.745 -7.198 71 HG2 GLN 5 HG2 GLN 5 5.598 -14.078 -5.741 72 HG3 GLN 5 HG1 GLN 5 4.879 -14.117 -7.350 73 HE21 GLN 5 HE21 GLN 5 7.616 -13.187 -5.456 74 HE22 GLN 5 HE22 GLN 5 8.654 -12.780 -6.776 75 H VAL 6 HN VAL 6 2.980 -11.275 -4.081 76 HA VAL 6 HA VAL 6 1.888 -8.886 -5.056 77 HB VAL 6 HB VAL 6 1.305 -10.269 -2.428 78 HG11 VAL 6 HG11 VAL 6 -0.358 -8.289 -3.982 79 HG12 VAL 6 HG12 VAL 6 0.465 -7.978 -2.453 80 HG13 VAL 6 HG13 VAL 6 -0.860 -9.140 -2.520 81 HG21 VAL 6 HG21 VAL 6 1.002 -11.758 -4.320 82 HG22 VAL 6 HG22 VAL 6 -0.001 -10.556 -5.131 83 HG23 VAL 6 HG23 VAL 6 -0.560 -11.309 -3.638 84 H MET 7 HN MET 7 3.765 -9.556 -2.133 85 HA MET 7 HA MET 7 3.495 -6.956 -1.031 86 HB2 MET 7 HB2 MET 7 4.561 -9.402 -0.195 87 HB3 MET 7 HB1 MET 7 5.922 -8.287 -0.192 88 HG2 MET 7 HG2 MET 7 3.301 -7.915 1.237 89 HG3 MET 7 HG1 MET 7 4.852 -8.318 1.970 90 HE1 MET 7 HE1 MET 7 4.012 -4.600 3.082 91 HE2 MET 7 HE2 MET 7 4.237 -6.258 3.643 92 HE3 MET 7 HE3 MET 7 2.811 -5.830 2.696 93 H ASP 8 HN ASP 8 6.028 -8.482 -2.995 94 HA ASP 8 HA ASP 8 7.776 -6.247 -2.962 95 HB2 ASP 8 HB2 ASP 8 8.540 -8.496 -3.592 96 HB3 ASP 8 HB1 ASP 8 7.515 -8.450 -5.023 97 H GLN 9 HN GLN 9 5.028 -7.153 -4.890 98 HA GLN 9 HA GLN 9 5.358 -5.364 -7.027 99 HB2 GLN 9 HB2 GLN 9 3.765 -7.308 -6.919 100 HB3 GLN 9 HB1 GLN 9 2.738 -6.333 -5.878 101 HG2 GLN 9 HG2 GLN 9 1.967 -6.316 -8.183 102 HG3 GLN 9 HG1 GLN 9 2.446 -4.706 -7.648 103 HE21 GLN 9 HE21 GLN 9 3.265 -7.420 -9.666 104 HE22 GLN 9 HE22 GLN 9 4.431 -6.597 -10.641 105 H VAL 10 HN VAL 10 3.598 -5.013 -3.948 106 HA VAL 10 HA VAL 10 2.846 -2.310 -4.523 107 HB VAL 10 HB VAL 10 1.401 -3.529 -3.054 108 HG11 VAL 10 HG11 VAL 10 2.121 -4.284 -0.815 109 HG12 VAL 10 HG12 VAL 10 3.783 -3.887 -1.248 110 HG13 VAL 10 HG13 VAL 10 2.918 -5.146 -2.129 111 HG21 VAL 10 HG21 VAL 10 2.903 -1.427 -1.501 112 HG22 VAL 10 HG22 VAL 10 1.309 -2.057 -1.083 113 HG23 VAL 10 HG23 VAL 10 1.537 -1.161 -2.587 114 H PHE 11 HN PHE 11 5.383 -3.850 -2.583 115 HA PHE 11 HA PHE 11 6.445 -1.560 -1.391 116 HB2 PHE 11 HB2 PHE 11 7.129 -3.739 -0.639 117 HB3 PHE 11 HB1 PHE 11 7.785 -4.138 -2.223 118 HD1 PHE 11 HD1 PHE 11 8.180 -1.522 0.407 119 HD2 PHE 11 HD2 PHE 11 10.063 -4.024 -2.472 120 HE1 PHE 11 HE1 PHE 11 10.378 -0.688 1.127 121 HE2 PHE 11 HE2 PHE 11 12.265 -3.193 -1.755 122 HZ PHE 11 HZ PHE 11 12.431 -1.502 0.002 123 H ASP 12 HN ASP 12 7.221 -3.051 -4.518 124 HA ASP 12 HA ASP 12 9.316 -1.377 -5.272 125 HB2 ASP 12 HB2 ASP 12 8.888 -3.308 -6.596 126 HB3 ASP 12 HB1 ASP 12 7.230 -2.808 -6.916 127 H GLN 13 HN GLN 13 5.825 -0.932 -5.650 128 HA GLN 13 HA GLN 13 6.026 1.460 -7.164 129 HB2 GLN 13 HB2 GLN 13 3.995 -0.024 -7.041 130 HB3 GLN 13 HB1 GLN 13 3.708 0.602 -5.424 131 HG2 GLN 13 HG2 GLN 13 2.314 1.773 -6.978 132 HG3 GLN 13 HG1 GLN 13 3.546 2.879 -6.372 133 HE21 GLN 13 HE21 GLN 13 3.423 4.248 -8.122 134 HE22 GLN 13 HE22 GLN 13 3.982 3.814 -9.698 135 H VAL 14 HN VAL 14 5.650 0.772 -3.712 136 HA VAL 14 HA VAL 14 5.394 3.405 -2.789 137 HB VAL 14 HB VAL 14 6.771 1.100 -1.386 138 HG11 VAL 14 HG11 VAL 14 7.313 3.244 -0.365 139 HG12 VAL 14 HG12 VAL 14 6.241 2.311 0.680 140 HG13 VAL 14 HG13 VAL 14 5.598 3.647 -0.273 141 HG21 VAL 14 HG21 VAL 14 3.901 2.014 -1.242 142 HG22 VAL 14 HG22 VAL 14 4.625 0.716 -0.295 143 HG23 VAL 14 HG23 VAL 14 4.478 0.555 -2.046 144 H GLU 15 HN GLU 15 8.320 1.399 -3.133 145 HA GLU 15 HA GLU 15 10.180 3.355 -2.376 146 HB2 GLU 15 HB2 GLU 15 10.664 0.916 -2.614 147 HB3 GLU 15 HB1 GLU 15 10.614 1.115 -4.362 148 HG2 GLU 15 HG2 GLU 15 12.446 2.815 -4.110 149 HG3 GLU 15 HG1 GLU 15 12.576 2.308 -2.428 150 H HIS 16 HN HIS 16 8.745 2.580 -5.487 151 HA HIS 16 HA HIS 16 10.316 4.193 -7.144 152 HB2 HIS 16 HB2 HIS 16 8.645 2.480 -7.897 153 HB3 HIS 16 HB1 HIS 16 7.362 3.603 -7.466 154 HD1 HIS 16 HD1 HIS 16 9.795 2.797 -10.117 155 HD2 HIS 16 HD2 HIS 16 7.195 5.901 -9.174 156 HE1 HIS 16 HE1 HIS 16 9.568 4.150 -12.220 157 HE2 HIS 16 HE2 HIS 16 7.824 5.882 -11.684 158 H GLN 17 HN GLN 17 7.404 4.937 -5.276 159 HA GLN 17 HA GLN 17 7.199 7.621 -6.188 160 HB2 GLN 17 HB2 GLN 17 6.110 6.344 -3.674 161 HB3 GLN 17 HB1 GLN 17 5.660 7.932 -4.278 162 HG2 GLN 17 HG2 GLN 17 5.115 5.263 -5.545 163 HG3 GLN 17 HG1 GLN 17 3.946 6.399 -4.875 164 HE21 GLN 17 HE21 GLN 17 3.516 8.331 -6.017 165 HE22 GLN 17 HE22 GLN 17 3.842 8.455 -7.710 166 H ILE 18 HN ILE 18 8.657 6.101 -3.340 167 HA ILE 18 HA ILE 18 9.419 8.423 -1.979 168 HB ILE 18 HB ILE 18 10.807 5.735 -2.028 169 HG12 ILE 18 HG12 ILE 18 8.803 6.904 -0.083 170 HG13 ILE 18 HG11 ILE 18 8.456 5.663 -1.283 171 HG21 ILE 18 HG21 ILE 18 12.315 7.460 -1.213 172 HG22 ILE 18 HG22 ILE 18 11.803 6.414 0.113 173 HG23 ILE 18 HG23 ILE 18 11.089 8.017 -0.073 174 HD11 ILE 18 HD11 ILE 18 9.990 4.142 -0.157 175 HD12 ILE 18 HD12 ILE 18 8.729 4.711 0.936 176 HD13 ILE 18 HD13 ILE 18 10.356 5.387 1.037 177 H ALA 19 HN ALA 19 11.155 6.532 -4.431 178 HA ALA 19 HA ALA 19 13.540 7.997 -4.450 179 HB1 ALA 19 HB1 ALA 19 13.915 7.053 -6.661 180 HB2 ALA 19 HB2 ALA 19 12.217 6.588 -6.765 181 HB3 ALA 19 HB3 ALA 19 13.266 5.832 -5.565 182 H GLN 20 HN GLN 20 10.528 8.469 -6.238 183 HA GLN 20 HA GLN 20 11.334 10.648 -7.812 184 HB2 GLN 20 HB2 GLN 20 9.241 9.361 -8.152 185 HB3 GLN 20 HB1 GLN 20 8.587 10.073 -6.684 186 HG2 GLN 20 HG2 GLN 20 8.785 12.306 -7.722 187 HG3 GLN 20 HG1 GLN 20 9.339 11.531 -9.204 188 HE21 GLN 20 HE21 GLN 20 6.872 10.174 -7.137 189 HE22 GLN 20 HE22 GLN 20 5.559 10.396 -8.239 190 H VAL 21 HN VAL 21 9.953 10.462 -4.573 191 HA VAL 21 HA VAL 21 9.724 13.220 -4.068 192 HB VAL 21 HB VAL 21 10.252 10.996 -2.084 193 HG11 VAL 21 HG11 VAL 21 9.248 12.504 -0.437 194 HG12 VAL 21 HG12 VAL 21 9.121 13.761 -1.668 195 HG13 VAL 21 HG13 VAL 21 10.708 13.197 -1.145 196 HG21 VAL 21 HG21 VAL 21 7.649 12.184 -3.032 197 HG22 VAL 21 HG22 VAL 21 7.827 10.981 -1.757 198 HG23 VAL 21 HG23 VAL 21 8.257 10.575 -3.418 199 H LEU 22 HN LEU 22 12.337 10.920 -3.339 200 HA LEU 22 HA LEU 22 14.068 12.678 -2.037 201 HB2 LEU 22 HB2 LEU 22 14.762 10.320 -3.792 202 HB3 LEU 22 HB1 LEU 22 15.865 11.107 -2.679 203 HG LEU 22 HG LEU 22 13.345 9.637 -1.892 204 HD11 LEU 22 HD11 LEU 22 14.860 7.961 -0.979 205 HD12 LEU 22 HD12 LEU 22 16.244 8.861 -1.601 206 HD13 LEU 22 HD13 LEU 22 15.087 8.141 -2.719 207 HD21 LEU 22 HD21 LEU 22 13.847 11.445 -0.349 208 HD22 LEU 22 HD22 LEU 22 15.516 10.889 -0.211 209 HD23 LEU 22 HD23 LEU 22 14.200 9.886 0.398 210 H GLY 23 HN GLY 23 13.830 11.880 -5.489 211 HA2 GLY 23 HA2 GLY 23 15.981 13.473 -6.359 212 HA3 GLY 23 HA1 GLY 23 14.630 12.951 -7.352 213 H ALA 24 HN ALA 24 12.654 14.283 -5.646 214 HA ALA 24 HA ALA 24 12.835 16.903 -6.840 215 HB1 ALA 24 HB1 ALA 24 10.722 15.685 -5.069 216 HB2 ALA 24 HB2 ALA 24 10.708 15.737 -6.831 217 HB3 ALA 24 HB3 ALA 24 10.588 17.233 -5.904 218 H LYS 25 HN LYS 25 12.891 15.516 -3.590 219 HA LYS 25 HA LYS 25 13.017 17.957 -2.171 220 HB2 LYS 25 HB2 LYS 25 13.944 15.174 -1.464 221 HB3 LYS 25 HB1 LYS 25 14.035 16.524 -0.346 222 HG2 LYS 25 HG2 LYS 25 11.487 15.539 -1.601 223 HG3 LYS 25 HG1 LYS 25 12.072 15.049 -0.011 224 HD2 LYS 25 HD2 LYS 25 12.109 17.508 0.587 225 HD3 LYS 25 HD1 LYS 25 11.224 17.791 -0.912 226 HE2 LYS 25 HE2 LYS 25 10.330 16.018 1.356 227 HE3 LYS 25 HE1 LYS 25 9.720 17.635 1.013 228 HZ1 LYS 25 HZ1 LYS 25 8.281 15.837 0.182 229 HZ2 LYS 25 HZ2 LYS 25 9.522 15.347 -0.860 230 HZ3 LYS 25 HZ3 LYS 25 8.819 16.872 -1.048 231 H GLY 26 HN GLY 26 15.469 15.864 -3.568 232 HA2 GLY 26 HA2 GLY 26 17.610 16.509 -4.258 233 HA3 GLY 26 HA1 GLY 26 17.424 18.013 -3.364 234 H GLY 27 HN GLY 27 16.489 15.290 -1.616 235 HA2 GLY 27 HA2 GLY 27 18.654 15.689 0.244 236 HA3 GLY 27 HA1 GLY 27 17.280 14.612 0.450 237 HA PRO 28 HA PRO 28 21.248 12.231 -0.470 238 HB2 PRO 28 HB2 PRO 28 20.532 10.809 2.004 239 HB3 PRO 28 HB1 PRO 28 22.070 11.534 1.535 240 HG2 PRO 28 HG2 PRO 28 20.529 12.614 3.450 241 HG3 PRO 28 HG1 PRO 28 21.491 13.617 2.346 242 HD2 PRO 28 HD2 PRO 28 18.561 12.995 2.275 243 HD3 PRO 28 HD1 PRO 28 19.392 14.536 1.974 244 H LEU 29 HN LEU 29 21.213 10.327 -1.552 245 HA LEU 29 HA LEU 29 18.704 9.011 -1.972 246 HB2 LEU 29 HB2 LEU 29 21.479 8.166 -2.817 247 HB3 LEU 29 HB1 LEU 29 19.973 7.514 -3.429 248 HG LEU 29 HG LEU 29 20.973 10.335 -3.824 249 HD11 LEU 29 HD11 LEU 29 20.651 8.051 -5.764 250 HD12 LEU 29 HD12 LEU 29 22.179 8.677 -5.145 251 HD13 LEU 29 HD13 LEU 29 21.159 9.689 -6.168 252 HD21 LEU 29 HD21 LEU 29 18.544 10.277 -3.629 253 HD22 LEU 29 HD22 LEU 29 18.466 8.999 -4.841 254 HD23 LEU 29 HD23 LEU 29 19.035 10.606 -5.290 255 H VAL 30 HN VAL 30 17.881 7.766 -0.456 256 HA VAL 30 HA VAL 30 19.660 6.324 1.351 257 HB VAL 30 HB VAL 30 17.675 6.030 2.782 258 HG11 VAL 30 HG11 VAL 30 19.090 7.969 3.124 259 HG12 VAL 30 HG12 VAL 30 17.404 8.389 3.423 260 HG13 VAL 30 HG13 VAL 30 18.180 8.875 1.915 261 HG21 VAL 30 HG21 VAL 30 16.264 7.666 0.673 262 HG22 VAL 30 HG22 VAL 30 15.600 7.241 2.251 263 HG23 VAL 30 HG23 VAL 30 15.947 5.977 1.071 264 H ALA 31 HN ALA 31 19.312 4.139 1.867 265 HA ALA 31 HA ALA 31 18.323 2.562 -0.359 266 HB1 ALA 31 HB1 ALA 31 19.316 0.665 0.810 267 HB2 ALA 31 HB2 ALA 31 19.662 1.690 2.202 268 HB3 ALA 31 HB3 ALA 31 20.473 1.987 0.665 269 H VAL 32 HN VAL 32 16.181 2.365 -0.391 270 HA VAL 32 HA VAL 32 14.602 2.350 2.007 271 HB VAL 32 HB VAL 32 13.741 1.798 -0.840 272 HG11 VAL 32 HG11 VAL 32 12.136 2.606 1.583 273 HG12 VAL 32 HG12 VAL 32 12.130 1.019 0.815 274 HG13 VAL 32 HG13 VAL 32 11.507 2.422 -0.054 275 HG21 VAL 32 HG21 VAL 32 13.774 4.390 0.705 276 HG22 VAL 32 HG22 VAL 32 13.043 4.156 -0.882 277 HG23 VAL 32 HG23 VAL 32 14.786 3.983 -0.681 278 H GLU 33 HN GLU 33 13.879 0.646 3.102 279 HA GLU 33 HA GLU 33 14.175 -2.026 1.889 280 HB2 GLU 33 HB2 GLU 33 14.429 -1.329 4.822 281 HB3 GLU 33 HB1 GLU 33 14.686 -2.907 4.092 282 HG2 GLU 33 HG2 GLU 33 16.648 -2.134 2.967 283 HG3 GLU 33 HG1 GLU 33 16.348 -0.478 3.488 284 H ILE 34 HN ILE 34 12.713 -3.645 3.182 285 HA ILE 34 HA ILE 34 10.059 -2.530 3.216 286 HB ILE 34 HB ILE 34 10.504 -4.815 2.343 287 HG12 ILE 34 HG12 ILE 34 8.586 -5.932 3.502 288 HG13 ILE 34 HG11 ILE 34 8.592 -4.618 4.672 289 HG21 ILE 34 HG21 ILE 34 11.025 -5.492 5.229 290 HG22 ILE 34 HG22 ILE 34 12.175 -5.573 3.894 291 HG23 ILE 34 HG23 ILE 34 10.797 -6.671 3.937 292 HD11 ILE 34 HD11 ILE 34 8.068 -3.026 2.924 293 HD12 ILE 34 HD12 ILE 34 6.881 -4.330 2.949 294 HD13 ILE 34 HD13 ILE 34 8.140 -4.306 1.715 295 H ASP 35 HN ASP 35 12.532 -3.337 5.513 296 HA ASP 35 HA ASP 35 10.686 -2.976 7.759 297 HB2 ASP 35 HB2 ASP 35 13.542 -3.950 7.642 298 HB3 ASP 35 HB1 ASP 35 12.689 -3.644 9.150 299 H SER 36 HN SER 36 12.459 -0.990 5.859 300 HA SER 36 HA SER 36 13.816 0.548 7.850 301 HB2 SER 36 HB2 SER 36 14.115 2.213 6.007 302 HB3 SER 36 HB1 SER 36 14.674 0.593 5.596 303 HG SER 36 HG SER 36 12.035 1.260 4.972 304 H ARG 37 HN ARG 37 13.271 2.498 8.721 305 HA ARG 37 HA ARG 37 10.416 3.023 8.927 306 HB2 ARG 37 HB2 ARG 37 12.761 4.277 10.371 307 HB3 ARG 37 HB1 ARG 37 11.064 4.478 10.785 308 HG2 ARG 37 HG2 ARG 37 10.869 2.252 11.517 309 HG3 ARG 37 HG1 ARG 37 12.402 1.792 10.772 310 HD2 ARG 37 HD2 ARG 37 12.050 3.673 13.103 311 HD3 ARG 37 HD1 ARG 37 12.635 2.012 13.189 312 HE ARG 37 HE ARG 37 14.278 3.362 11.402 313 HH11 ARG 37 HH11 ARG 37 13.494 3.450 14.815 314 HH12 ARG 37 HH12 ARG 37 15.027 4.123 15.274 315 HH21 ARG 37 HH21 ARG 37 16.294 4.259 11.997 316 HH22 ARG 37 HH22 ARG 37 16.616 4.581 13.676 317 H PHE 38 HN PHE 38 9.468 5.002 8.415 318 HA PHE 38 HA PHE 38 10.528 6.247 6.105 319 HB2 PHE 38 HB2 PHE 38 8.165 6.868 7.858 320 HB3 PHE 38 HB1 PHE 38 8.586 7.876 6.478 321 HD1 PHE 38 HD1 PHE 38 7.039 4.813 7.570 322 HD2 PHE 38 HD2 PHE 38 8.609 6.875 4.197 323 HE1 PHE 38 HE1 PHE 38 5.825 3.285 6.076 324 HE2 PHE 38 HE2 PHE 38 7.397 5.349 2.695 325 HZ PHE 38 HZ PHE 38 6.003 3.552 3.635 326 H SER 39 HN SER 39 10.380 7.266 9.491 327 HA SER 39 HA SER 39 11.418 9.868 9.057 328 HB2 SER 39 HB2 SER 39 11.601 8.135 11.535 329 HB3 SER 39 HB1 SER 39 11.887 9.873 11.472 330 HG SER 39 HG SER 39 9.504 9.306 10.366 331 H ASP 40 HN ASP 40 12.844 6.724 9.309 332 HA ASP 40 HA ASP 40 15.533 7.587 9.752 333 HB2 ASP 40 HB2 ASP 40 14.617 5.289 10.271 334 HB3 ASP 40 HB1 ASP 40 14.602 4.976 8.540 335 H LEU 41 HN LEU 41 13.551 6.795 6.965 336 HA LEU 41 HA LEU 41 15.648 7.088 5.044 337 HB2 LEU 41 HB2 LEU 41 12.653 7.161 4.672 338 HB3 LEU 41 HB1 LEU 41 13.834 7.011 3.387 339 HG LEU 41 HG LEU 41 13.378 4.980 5.574 340 HD11 LEU 41 HD11 LEU 41 11.497 5.086 4.038 341 HD12 LEU 41 HD12 LEU 41 12.420 3.604 3.788 342 HD13 LEU 41 HD13 LEU 41 12.593 4.951 2.663 343 HD21 LEU 41 HD21 LEU 41 15.680 4.978 4.787 344 HD22 LEU 41 HD22 LEU 41 15.126 4.891 3.115 345 HD23 LEU 41 HD23 LEU 41 14.829 3.543 4.214 346 H GLY 42 HN GLY 42 13.564 9.262 6.707 347 HA2 GLY 42 HA2 GLY 42 14.203 11.585 6.784 348 HA3 GLY 42 HA1 GLY 42 14.687 11.462 5.103 349 H LEU 43 HN LEU 43 11.717 9.967 5.992 350 HA LEU 43 HA LEU 43 10.252 12.187 4.731 351 HB2 LEU 43 HB2 LEU 43 9.593 9.248 4.917 352 HB3 LEU 43 HB1 LEU 43 8.437 10.453 4.389 353 HG LEU 43 HG LEU 43 9.259 9.491 2.417 354 HD11 LEU 43 HD11 LEU 43 10.921 11.971 2.802 355 HD12 LEU 43 HD12 LEU 43 9.206 11.955 2.394 356 HD13 LEU 43 HD13 LEU 43 10.387 11.275 1.272 357 HD21 LEU 43 HD21 LEU 43 11.160 8.300 3.354 358 HD22 LEU 43 HD22 LEU 43 12.053 9.814 3.499 359 HD23 LEU 43 HD23 LEU 43 11.628 9.190 1.905 360 H SER 44 HN SER 44 9.458 13.471 6.254 361 HA SER 44 HA SER 44 8.725 12.477 8.855 362 HB2 SER 44 HB2 SER 44 9.805 14.690 8.530 363 HB3 SER 44 HB1 SER 44 8.367 15.243 7.676 364 HG SER 44 HG SER 44 8.747 14.715 10.401 365 H SER 45 HN SER 45 6.523 13.456 9.733 366 HA SER 45 HA SER 45 4.564 11.780 8.762 367 HB2 SER 45 HB2 SER 45 4.094 14.347 10.285 368 HB3 SER 45 HB1 SER 45 3.035 12.937 10.236 369 HG SER 45 HG SER 45 4.172 12.638 12.053 370 H LEU 46 HN LEU 46 4.926 15.264 8.101 371 HA LEU 46 HA LEU 46 2.518 15.551 6.676 372 HB2 LEU 46 HB2 LEU 46 3.797 17.448 7.575 373 HB3 LEU 46 HB1 LEU 46 5.068 17.141 6.409 374 HG LEU 46 HG LEU 46 3.447 17.626 4.580 375 HD11 LEU 46 HD11 LEU 46 1.358 18.769 5.147 376 HD12 LEU 46 HD12 LEU 46 1.661 18.467 6.858 377 HD13 LEU 46 HD13 LEU 46 1.386 17.115 5.759 378 HD21 LEU 46 HD21 LEU 46 3.434 20.051 4.927 379 HD22 LEU 46 HD22 LEU 46 4.986 19.333 5.357 380 HD23 LEU 46 HD23 LEU 46 3.852 19.805 6.623 381 H ASP 47 HN ASP 47 5.806 14.798 5.582 382 HA ASP 47 HA ASP 47 5.015 14.837 2.815 383 HB2 ASP 47 HB2 ASP 47 7.375 15.323 3.774 384 HB3 ASP 47 HB1 ASP 47 7.552 13.571 3.810 385 H LEU 48 HN LEU 48 5.409 12.467 5.338 386 HA LEU 48 HA LEU 48 5.220 10.120 3.795 387 HB2 LEU 48 HB2 LEU 48 5.605 10.623 6.406 388 HB3 LEU 48 HB1 LEU 48 3.898 10.238 6.459 389 HG LEU 48 HG LEU 48 6.110 8.421 5.491 390 HD11 LEU 48 HD11 LEU 48 6.072 8.684 7.896 391 HD12 LEU 48 HD12 LEU 48 5.495 7.080 7.447 392 HD13 LEU 48 HD13 LEU 48 4.347 8.328 7.931 393 HD21 LEU 48 HD21 LEU 48 3.150 7.882 5.713 394 HD22 LEU 48 HD22 LEU 48 4.392 6.699 5.305 395 HD23 LEU 48 HD23 LEU 48 4.061 8.042 4.211 396 H ALA 49 HN ALA 49 2.746 12.110 5.396 397 HA ALA 49 HA ALA 49 0.478 10.712 4.545 398 HB1 ALA 49 HB1 ALA 49 0.414 12.471 6.245 399 HB2 ALA 49 HB2 ALA 49 -0.746 12.787 4.954 400 HB3 ALA 49 HB3 ALA 49 0.773 13.680 5.012 401 H THR 50 HN THR 50 2.311 13.301 3.000 402 HA THR 50 HA THR 50 0.732 13.611 0.705 403 HB THR 50 HB THR 50 3.732 13.941 0.932 404 HG1 THR 50 HG1 THR 50 2.923 15.278 2.461 405 HG21 THR 50 HG21 THR 50 1.715 15.170 -0.951 406 HG22 THR 50 HG22 THR 50 2.966 13.999 -1.371 407 HG23 THR 50 HG23 THR 50 3.417 15.622 -0.848 408 H LEU 51 HN LEU 51 3.497 11.501 1.382 409 HA LEU 51 HA LEU 51 3.730 10.256 -1.107 410 HB2 LEU 51 HB2 LEU 51 5.380 10.051 0.707 411 HB3 LEU 51 HB1 LEU 51 4.236 9.110 1.642 412 HG LEU 51 HG LEU 51 4.293 7.370 -0.153 413 HD11 LEU 51 HD11 LEU 51 5.024 8.760 -2.002 414 HD12 LEU 51 HD12 LEU 51 6.153 7.430 -1.745 415 HD13 LEU 51 HD13 LEU 51 6.565 9.054 -1.196 416 HD21 LEU 51 HD21 LEU 51 6.465 6.471 0.499 417 HD22 LEU 51 HD22 LEU 51 5.615 7.153 1.886 418 HD23 LEU 51 HD23 LEU 51 6.935 8.049 1.133 419 H ILE 52 HN ILE 52 1.880 9.293 1.761 420 HA ILE 52 HA ILE 52 0.686 6.993 0.719 421 HB ILE 52 HB ILE 52 -0.424 8.932 2.755 422 HG12 ILE 52 HG12 ILE 52 1.137 6.362 3.073 423 HG13 ILE 52 HG11 ILE 52 1.730 7.984 3.409 424 HG21 ILE 52 HG21 ILE 52 -1.249 6.096 2.153 425 HG22 ILE 52 HG22 ILE 52 -2.197 7.548 1.834 426 HG23 ILE 52 HG23 ILE 52 -1.840 7.074 3.494 427 HD11 ILE 52 HD11 ILE 52 1.152 6.821 5.453 428 HD12 ILE 52 HD12 ILE 52 -0.494 6.577 4.867 429 HD13 ILE 52 HD13 ILE 52 0.091 8.206 5.204 430 H SER 53 HN SER 53 -0.414 10.362 0.682 431 HA SER 53 HA SER 53 -2.912 9.926 -0.510 432 HB2 SER 53 HB2 SER 53 -2.189 12.020 0.646 433 HB3 SER 53 HB1 SER 53 -1.173 12.394 -0.745 434 HG SER 53 HG SER 53 -3.992 12.033 -0.804 435 H ASN 54 HN ASN 54 0.260 10.607 -1.951 436 HA ASN 54 HA ASN 54 -0.723 10.765 -4.619 437 HB2 ASN 54 HB2 ASN 54 2.024 10.472 -3.435 438 HB3 ASN 54 HB1 ASN 54 1.771 10.381 -5.175 439 HD21 ASN 54 HD21 ASN 54 3.219 12.350 -3.558 440 HD22 ASN 54 HD22 ASN 54 2.518 13.881 -3.955 441 H LEU 55 HN LEU 55 0.758 8.188 -2.703 442 HA LEU 55 HA LEU 55 0.811 6.236 -4.750 443 HB2 LEU 55 HB2 LEU 55 2.075 6.088 -2.623 444 HB3 LEU 55 HB1 LEU 55 0.566 5.854 -1.762 445 HG LEU 55 HG LEU 55 0.213 3.748 -3.035 446 HD11 LEU 55 HD11 LEU 55 1.536 4.252 -5.003 447 HD12 LEU 55 HD12 LEU 55 2.115 2.775 -4.235 448 HD13 LEU 55 HD13 LEU 55 3.008 4.282 -4.030 449 HD21 LEU 55 HD21 LEU 55 1.897 2.454 -1.818 450 HD22 LEU 55 HD22 LEU 55 1.175 3.702 -0.806 451 HD23 LEU 55 HD23 LEU 55 2.787 3.937 -1.479 452 H GLU 56 HN GLU 56 -1.599 7.221 -2.412 453 HA GLU 56 HA GLU 56 -3.535 5.251 -2.768 454 HB2 GLU 56 HB2 GLU 56 -3.539 7.060 -1.048 455 HB3 GLU 56 HB1 GLU 56 -3.967 8.208 -2.304 456 HG2 GLU 56 HG2 GLU 56 -6.036 6.862 -2.706 457 HG3 GLU 56 HG1 GLU 56 -5.620 5.924 -1.269 458 H ALA 57 HN ALA 57 -2.907 8.219 -4.578 459 HA ALA 57 HA ALA 57 -5.133 7.949 -6.333 460 HB1 ALA 57 HB1 ALA 57 -4.099 10.115 -5.849 461 HB2 ALA 57 HB2 ALA 57 -4.124 9.778 -7.580 462 HB3 ALA 57 HB3 ALA 57 -2.627 9.590 -6.666 463 H VAL 58 HN VAL 58 -2.123 6.386 -6.192 464 HA VAL 58 HA VAL 58 -1.856 5.854 -9.000 465 HB VAL 58 HB VAL 58 -0.612 4.454 -6.623 466 HG11 VAL 58 HG11 VAL 58 0.975 3.505 -8.229 467 HG12 VAL 58 HG12 VAL 58 0.069 4.235 -9.553 468 HG13 VAL 58 HG13 VAL 58 -0.676 2.981 -8.564 469 HG21 VAL 58 HG21 VAL 58 0.068 6.782 -6.815 470 HG22 VAL 58 HG22 VAL 58 0.504 6.531 -8.504 471 HG23 VAL 58 HG23 VAL 58 1.404 5.710 -7.230 472 H TYR 59 HN TYR 59 -3.158 4.127 -6.194 473 HA TYR 59 HA TYR 59 -3.980 1.912 -7.898 474 HB2 TYR 59 HB2 TYR 59 -4.201 2.328 -4.915 475 HB3 TYR 59 HB1 TYR 59 -4.792 0.901 -5.755 476 HD1 TYR 59 HD1 TYR 59 -3.117 -0.534 -7.011 477 HD2 TYR 59 HD2 TYR 59 -1.946 2.497 -4.263 478 HE1 TYR 59 HE1 TYR 59 -0.904 -1.584 -6.805 479 HE2 TYR 59 HE2 TYR 59 0.272 1.455 -4.052 480 HH TYR 59 HH TYR 59 1.345 -1.029 -6.167 481 H GLY 60 HN GLY 60 -5.387 4.595 -6.148 482 HA2 GLY 60 HA2 GLY 60 -7.485 5.554 -6.419 483 HA3 GLY 60 HA1 GLY 60 -7.902 4.263 -7.540 484 H THR 61 HN THR 61 -6.661 3.826 -4.292 485 HA THR 61 HA THR 61 -8.953 2.127 -3.711 486 HB THR 61 HB THR 61 -7.500 1.540 -1.672 487 HG1 THR 61 HG1 THR 61 -5.922 3.013 -1.576 488 HG21 THR 61 HG21 THR 61 -6.073 0.042 -3.025 489 HG22 THR 61 HG22 THR 61 -6.544 0.934 -4.471 490 HG23 THR 61 HG23 THR 61 -7.753 0.036 -3.556 491 H ASP 62 HN ASP 62 -9.321 2.067 -1.169 492 HA ASP 62 HA ASP 62 -10.579 4.526 -0.480 493 HB2 ASP 62 HB2 ASP 62 -10.195 1.906 0.955 494 HB3 ASP 62 HB1 ASP 62 -10.934 3.288 1.756 495 HA PRO 63 HA PRO 63 -7.161 6.395 1.660 496 HB2 PRO 63 HB2 PRO 63 -8.559 8.351 2.913 497 HB3 PRO 63 HB1 PRO 63 -8.169 8.408 1.190 498 HG2 PRO 63 HG2 PRO 63 -10.721 7.613 2.532 499 HG3 PRO 63 HG1 PRO 63 -10.479 8.594 1.074 500 HD2 PRO 63 HD2 PRO 63 -11.177 5.968 1.000 501 HD3 PRO 63 HD1 PRO 63 -10.220 6.752 -0.272 502 H PHE 64 HN PHE 64 -6.231 5.630 3.457 503 HA PHE 64 HA PHE 64 -7.958 5.072 5.783 504 HB2 PHE 64 HB2 PHE 64 -6.420 3.246 6.379 505 HB3 PHE 64 HB1 PHE 64 -7.139 2.994 4.794 506 HD1 PHE 64 HD1 PHE 64 -4.061 4.067 6.535 507 HD2 PHE 64 HD2 PHE 64 -5.794 2.774 2.868 508 HE1 PHE 64 HE1 PHE 64 -1.817 3.794 5.572 509 HE2 PHE 64 HE2 PHE 64 -3.551 2.497 1.900 510 HZ PHE 64 HZ PHE 64 -1.565 3.022 3.238 511 H ALA 65 HN ALA 65 -5.712 7.158 4.684 512 HA ALA 65 HA ALA 65 -3.678 7.137 6.622 513 HB1 ALA 65 HB1 ALA 65 -3.502 8.270 4.444 514 HB2 ALA 65 HB2 ALA 65 -3.064 9.318 5.794 515 HB3 ALA 65 HB3 ALA 65 -4.636 9.496 5.012 516 H ASP 66 HN ASP 66 -6.897 8.440 6.724 517 HA ASP 66 HA ASP 66 -6.268 10.006 9.118 518 HB2 ASP 66 HB2 ASP 66 -7.755 10.941 7.311 519 HB3 ASP 66 HB1 ASP 66 -8.942 9.712 7.732 520 H ALA 67 HN ALA 67 -8.155 7.245 8.057 521 HA ALA 67 HA ALA 67 -9.500 6.770 10.493 522 HB1 ALA 67 HB1 ALA 67 -8.876 4.833 8.271 523 HB2 ALA 67 HB2 ALA 67 -10.279 5.899 8.346 524 HB3 ALA 67 HB3 ALA 67 -10.084 4.613 9.536 525 H VAL 68 HN VAL 68 -6.505 5.449 9.134 526 HA VAL 68 HA VAL 68 -6.094 3.819 11.515 527 HB VAL 68 HB VAL 68 -4.295 4.122 9.097 528 HG11 VAL 68 HG11 VAL 68 -3.341 1.983 9.811 529 HG12 VAL 68 HG12 VAL 68 -4.381 1.994 11.236 530 HG13 VAL 68 HG13 VAL 68 -3.134 3.227 11.045 531 HG21 VAL 68 HG21 VAL 68 -6.512 3.300 8.463 532 HG22 VAL 68 HG22 VAL 68 -6.375 2.013 9.660 533 HG23 VAL 68 HG23 VAL 68 -5.279 2.052 8.279 534 H ALA 69 HN ALA 69 -5.564 6.940 10.630 535 HA ALA 69 HA ALA 69 -4.357 8.679 11.372 536 HB1 ALA 69 HB1 ALA 69 -3.388 8.588 13.563 537 HB2 ALA 69 HB2 ALA 69 -3.417 6.825 13.540 538 HB3 ALA 69 HB3 ALA 69 -4.929 7.730 13.559 539 H ILE 70 HN ILE 70 -2.552 9.598 10.739 540 HA ILE 70 HA ILE 70 -0.783 8.165 9.099 541 HB ILE 70 HB ILE 70 -1.282 10.475 8.645 542 HG12 ILE 70 HG12 ILE 70 1.014 11.411 8.371 543 HG13 ILE 70 HG11 ILE 70 1.631 10.101 9.371 544 HG21 ILE 70 HG21 ILE 70 -1.610 11.275 10.907 545 HG22 ILE 70 HG22 ILE 70 -0.457 12.302 10.056 546 HG23 ILE 70 HG23 ILE 70 0.116 11.122 11.234 547 HD11 ILE 70 HD11 ILE 70 0.221 9.780 6.735 548 HD12 ILE 70 HD12 ILE 70 0.877 8.479 7.728 549 HD13 ILE 70 HD13 ILE 70 1.958 9.667 7.003 550 H THR 71 HN THR 71 -0.602 8.960 12.477 551 HA THR 71 HA THR 71 2.230 8.730 12.714 552 HB THR 71 HB THR 71 1.633 8.495 15.212 553 HG1 THR 71 HG1 THR 71 -0.454 8.039 15.377 554 HG21 THR 71 HG21 THR 71 1.161 10.897 15.390 555 HG22 THR 71 HG22 THR 71 0.776 10.946 13.670 556 HG23 THR 71 HG23 THR 71 2.418 10.577 14.195 557 H SER 72 HN SER 72 -0.154 6.410 12.236 558 HA SER 72 HA SER 72 1.078 4.341 13.845 559 HB2 SER 72 HB2 SER 72 -1.107 4.086 11.769 560 HB3 SER 72 HB1 SER 72 -0.685 2.906 13.010 561 HG SER 72 HG SER 72 -2.434 4.847 13.198 562 H ILE 73 HN ILE 73 1.705 5.732 10.877 563 HA ILE 73 HA ILE 73 2.756 3.270 9.684 564 HB ILE 73 HB ILE 73 2.581 6.048 8.493 565 HG12 ILE 73 HG12 ILE 73 0.354 5.075 8.895 566 HG13 ILE 73 HG11 ILE 73 0.707 5.175 7.173 567 HG21 ILE 73 HG21 ILE 73 3.251 3.397 7.223 568 HG22 ILE 73 HG22 ILE 73 4.366 4.734 7.507 569 HG23 ILE 73 HG23 ILE 73 3.038 4.921 6.361 570 HD11 ILE 73 HD11 ILE 73 -0.384 3.087 7.696 571 HD12 ILE 73 HD12 ILE 73 0.861 2.702 8.884 572 HD13 ILE 73 HD13 ILE 73 1.273 2.787 7.170 573 H VAL 74 HN VAL 74 4.631 2.826 10.712 574 HA VAL 74 HA VAL 74 6.653 4.956 10.883 575 HB VAL 74 HB VAL 74 6.595 2.287 12.303 576 HG11 VAL 74 HG11 VAL 74 8.425 4.653 12.688 577 HG12 VAL 74 HG12 VAL 74 8.861 3.129 11.915 578 HG13 VAL 74 HG13 VAL 74 8.441 3.160 13.628 579 HG21 VAL 74 HG21 VAL 74 6.084 3.571 14.317 580 HG22 VAL 74 HG22 VAL 74 4.828 3.771 13.097 581 HG23 VAL 74 HG23 VAL 74 6.013 5.051 13.362 582 H THR 75 HN THR 75 6.315 1.514 10.112 583 HA THR 75 HA THR 75 8.787 1.631 8.552 584 HB THR 75 HB THR 75 8.473 -0.900 8.501 585 HG1 THR 75 HG1 THR 75 7.042 -1.740 10.051 586 HG21 THR 75 HG21 THR 75 8.822 0.441 11.187 587 HG22 THR 75 HG22 THR 75 10.086 0.205 9.980 588 HG23 THR 75 HG23 THR 75 9.351 -1.189 10.771 589 H VAL 76 HN VAL 76 8.865 0.754 6.434 590 HA VAL 76 HA VAL 76 6.738 1.538 4.761 591 HB VAL 76 HB VAL 76 9.039 -0.312 4.093 592 HG11 VAL 76 HG11 VAL 76 7.269 -0.447 2.439 593 HG12 VAL 76 HG12 VAL 76 8.655 0.418 1.773 594 HG13 VAL 76 HG13 VAL 76 7.232 1.311 2.306 595 HG21 VAL 76 HG21 VAL 76 8.797 2.687 3.868 596 HG22 VAL 76 HG22 VAL 76 10.114 1.726 3.194 597 HG23 VAL 76 HG23 VAL 76 9.875 1.794 4.940 598 H ALA 77 HN ALA 77 7.623 -1.531 6.179 599 HA ALA 77 HA ALA 77 6.131 -3.296 4.655 600 HB1 ALA 77 HB1 ALA 77 6.607 -3.481 7.625 601 HB2 ALA 77 HB2 ALA 77 7.780 -3.932 6.389 602 HB3 ALA 77 HB3 ALA 77 6.257 -4.811 6.521 603 H ASP 78 HN ASP 78 5.112 -1.207 7.301 604 HA ASP 78 HA ASP 78 2.556 -2.437 7.628 605 HB2 ASP 78 HB2 ASP 78 3.835 -0.979 9.327 606 HB3 ASP 78 HB1 ASP 78 3.205 0.393 8.423 607 H LEU 79 HN LEU 79 3.711 0.485 5.991 608 HA LEU 79 HA LEU 79 1.200 1.387 5.092 609 HB2 LEU 79 HB2 LEU 79 3.206 2.802 5.122 610 HB3 LEU 79 HB1 LEU 79 3.927 1.815 3.866 611 HG LEU 79 HG LEU 79 2.110 2.496 2.323 612 HD11 LEU 79 HD11 LEU 79 1.328 4.362 4.555 613 HD12 LEU 79 HD12 LEU 79 0.402 2.966 4.004 614 HD13 LEU 79 HD13 LEU 79 0.649 4.340 2.927 615 HD21 LEU 79 HD21 LEU 79 3.660 4.756 3.581 616 HD22 LEU 79 HD22 LEU 79 2.885 4.801 1.998 617 HD23 LEU 79 HD23 LEU 79 4.222 3.690 2.292 618 H ALA 80 HN ALA 80 3.692 -0.577 3.498 619 HA ALA 80 HA ALA 80 2.313 -0.960 1.077 620 HB1 ALA 80 HB1 ALA 80 4.363 -2.724 2.413 621 HB2 ALA 80 HB2 ALA 80 4.688 -1.412 1.280 622 HB3 ALA 80 HB3 ALA 80 3.840 -2.859 0.735 623 H ARG 81 HN ARG 81 2.278 -2.704 4.130 624 HA ARG 81 HA ARG 81 0.692 -4.892 3.447 625 HB2 ARG 81 HB2 ARG 81 1.697 -4.811 5.609 626 HB3 ARG 81 HB1 ARG 81 0.903 -3.292 5.995 627 HG2 ARG 81 HG2 ARG 81 -1.285 -4.599 5.777 628 HG3 ARG 81 HG1 ARG 81 -0.273 -6.042 5.869 629 HD2 ARG 81 HD2 ARG 81 -1.132 -5.414 8.072 630 HD3 ARG 81 HD1 ARG 81 0.626 -5.291 7.999 631 HE ARG 81 HE ARG 81 0.458 -2.955 8.085 632 HH11 ARG 81 HH11 ARG 81 -2.709 -4.443 8.107 633 HH12 ARG 81 HH12 ARG 81 -3.498 -3.056 8.785 634 HH21 ARG 81 HH21 ARG 81 -0.578 -1.103 8.947 635 HH22 ARG 81 HH22 ARG 81 -2.290 -1.162 9.262 636 H ALA 82 HN ALA 82 -0.280 -1.692 4.629 637 HA ALA 82 HA ALA 82 -3.021 -2.147 4.779 638 HB1 ALA 82 HB1 ALA 82 -3.265 0.268 4.803 639 HB2 ALA 82 HB2 ALA 82 -1.624 0.456 4.184 640 HB3 ALA 82 HB3 ALA 82 -1.888 -0.224 5.790 641 H TYR 83 HN TYR 83 -1.064 -1.003 2.050 642 HA TYR 83 HA TYR 83 -3.378 -0.692 0.371 643 HB2 TYR 83 HB2 TYR 83 -0.427 -0.434 -0.076 644 HB3 TYR 83 HB1 TYR 83 -1.522 -0.516 -1.454 645 HD1 TYR 83 HD1 TYR 83 0.075 1.627 0.806 646 HD2 TYR 83 HD2 TYR 83 -3.590 1.150 -1.303 647 HE1 TYR 83 HE1 TYR 83 -0.365 4.033 1.044 648 HE2 TYR 83 HE2 TYR 83 -4.042 3.557 -1.068 649 HH TYR 83 HH TYR 83 -3.351 5.430 0.488 650 H ALA 84 HN ALA 84 -1.076 -3.236 1.023 651 HA ALA 84 HA ALA 84 -1.621 -4.766 -1.314 652 HB1 ALA 84 HB1 ALA 84 -0.492 -6.589 -0.174 653 HB2 ALA 84 HB2 ALA 84 -0.583 -5.715 1.354 654 HB3 ALA 84 HB3 ALA 84 0.407 -5.086 0.036 655 H GLN 85 HN GLN 85 -2.941 -4.756 1.967 656 HA GLN 85 HA GLN 85 -4.710 -6.967 1.383 657 HB2 GLN 85 HB2 GLN 85 -5.502 -6.708 3.664 658 HB3 GLN 85 HB1 GLN 85 -3.745 -6.686 3.634 659 HG2 GLN 85 HG2 GLN 85 -3.749 -4.270 3.845 660 HG3 GLN 85 HG1 GLN 85 -5.511 -4.257 3.812 661 HE21 GLN 85 HE21 GLN 85 -6.653 -5.014 5.599 662 HE22 GLN 85 HE22 GLN 85 -5.908 -5.196 7.149 663 H GLN 86 HN GLN 86 -4.790 -3.610 0.939 664 HA GLN 86 HA GLN 86 -7.546 -3.133 1.376 665 HB2 GLN 86 HB2 GLN 86 -5.794 -1.352 1.225 666 HB3 GLN 86 HB1 GLN 86 -5.706 -1.648 -0.506 667 HG2 GLN 86 HG2 GLN 86 -7.086 0.269 -0.089 668 HG3 GLN 86 HG1 GLN 86 -8.086 -1.050 -0.701 669 HE21 GLN 86 HE21 GLN 86 -7.334 0.954 2.014 670 HE22 GLN 86 HE22 GLN 86 -8.676 0.487 2.999 671 H GLY 87 HN GLY 87 -9.204 -3.864 0.261 672 HA2 GLY 87 HA2 GLY 87 -10.330 -3.941 -1.910 673 HA3 GLY 87 HA1 GLY 87 -8.810 -4.501 -2.596 674 H VAL 88 HN VAL 88 -8.310 -6.243 -0.271 675 HA VAL 88 HA VAL 88 -10.254 -8.353 -0.918 676 HB VAL 88 HB VAL 88 -8.202 -8.983 -1.942 677 HG11 VAL 88 HG11 VAL 88 -6.846 -8.444 0.695 678 HG12 VAL 88 HG12 VAL 88 -6.683 -7.488 -0.778 679 HG13 VAL 88 HG13 VAL 88 -6.074 -9.142 -0.728 680 HG21 VAL 88 HG21 VAL 88 -9.321 -10.818 -0.853 681 HG22 VAL 88 HG22 VAL 88 -8.506 -10.456 0.667 682 HG23 VAL 88 HG23 VAL 88 -7.576 -11.033 -0.715 683 HA PRO 89 HA PRO 89 -11.147 -8.343 3.426 684 HB2 PRO 89 HB2 PRO 89 -12.358 -10.804 3.493 685 HB3 PRO 89 HB1 PRO 89 -13.162 -9.326 2.956 686 HG2 PRO 89 HG2 PRO 89 -11.892 -11.489 1.328 687 HG3 PRO 89 HG1 PRO 89 -13.415 -10.627 1.051 688 HD2 PRO 89 HD2 PRO 89 -11.173 -10.008 -0.296 689 HD3 PRO 89 HD1 PRO 89 -12.348 -8.764 0.183 690 H GLY 90 HN GLY 90 -9.341 -8.577 4.640 691 HA2 GLY 90 HA2 GLY 90 -7.605 -10.855 4.373 692 HA3 GLY 90 HA1 GLY 90 -7.435 -9.543 5.530 693 HA PRO 91 HA PRO 91 -9.583 -13.555 7.259 694 HB2 PRO 91 HB2 PRO 91 -7.379 -14.975 8.069 695 HB3 PRO 91 HB1 PRO 91 -8.243 -15.268 6.556 696 HG2 PRO 91 HG2 PRO 91 -5.728 -13.723 7.036 697 HG3 PRO 91 HG1 PRO 91 -6.128 -14.832 5.711 698 HD2 PRO 91 HD2 PRO 91 -6.219 -12.158 5.409 699 HD3 PRO 91 HD1 PRO 91 -7.358 -13.237 4.577 700 H SER 92 HN SER 92 -10.071 -13.476 9.388 701 HA SER 92 HA SER 92 -8.557 -11.629 11.040 702 HB2 SER 92 HB2 SER 92 -11.178 -13.064 11.490 703 HB3 SER 92 HB1 SER 92 -10.449 -11.954 12.649 704 HG SER 92 HG SER 92 -11.660 -10.593 11.552 705 HA PRO 93 HA PRO 93 -6.613 -15.112 13.125 706 HB2 PRO 93 HB2 PRO 93 -4.744 -13.694 14.410 707 HB3 PRO 93 HB1 PRO 93 -4.638 -13.981 12.669 708 HG2 PRO 93 HG2 PRO 93 -5.560 -11.541 14.133 709 HG3 PRO 93 HG1 PRO 93 -4.535 -11.660 12.692 710 HD2 PRO 93 HD2 PRO 93 -7.234 -11.104 12.641 711 HD3 PRO 93 HD1 PRO 93 -6.332 -11.813 11.287 712 H ASP 94 HN ASP 94 -8.744 -12.934 14.134 713 HA ASP 94 HA ASP 94 -8.460 -13.584 16.991 714 HB2 ASP 94 HB2 ASP 94 -8.326 -11.149 16.391 715 HB3 ASP 94 HB1 ASP 94 -9.972 -11.262 15.776 716 HA PRO 95 HA PRO 95 -12.034 -16.092 16.434 717 HB2 PRO 95 HB2 PRO 95 -12.771 -16.366 19.034 718 HB3 PRO 95 HB1 PRO 95 -11.387 -17.204 18.324 719 HG2 PRO 95 HG2 PRO 95 -11.449 -14.705 19.972 720 HG3 PRO 95 HG1 PRO 95 -10.338 -16.083 20.072 721 HD2 PRO 95 HD2 PRO 95 -9.666 -13.779 18.838 722 HD3 PRO 95 HD1 PRO 95 -9.073 -15.358 18.283 723 H LEU 96 HN LEU 96 -12.228 -12.885 17.589 724 HA LEU 96 HA LEU 96 -14.906 -12.723 18.379 725 HB2 LEU 96 HB2 LEU 96 -13.382 -10.875 18.720 726 HB3 LEU 96 HB1 LEU 96 -13.182 -10.673 16.993 727 HG LEU 96 HG LEU 96 -15.638 -10.082 16.885 728 HD11 LEU 96 HD11 LEU 96 -16.478 -10.971 18.922 729 HD12 LEU 96 HD12 LEU 96 -16.584 -9.216 19.042 730 HD13 LEU 96 HD13 LEU 96 -15.291 -10.079 19.873 731 HD21 LEU 96 HD21 LEU 96 -13.825 -8.315 18.519 732 HD22 LEU 96 HD22 LEU 96 -15.270 -7.794 17.653 733 HD23 LEU 96 HD23 LEU 96 -13.880 -8.407 16.759 734 H ASP 97 HN ASP 97 -13.468 -12.331 15.154 735 HA ASP 97 HA ASP 97 -15.891 -11.739 13.832 736 HB2 ASP 97 HB2 ASP 97 -13.219 -12.722 12.877 737 HB3 ASP 97 HB1 ASP 97 -14.576 -12.582 11.764 738 H ALA 98 HN ALA 98 -14.266 -14.761 14.563 739 HA ALA 98 HA ALA 98 -15.924 -16.454 13.033 740 HB1 ALA 98 HB1 ALA 98 -13.774 -17.182 13.959 741 HB2 ALA 98 HB2 ALA 98 -15.085 -18.257 14.446 742 HB3 ALA 98 HB3 ALA 98 -14.444 -17.076 15.587 743 H GLN 99 HN GLN 99 -16.132 -15.209 16.311 744 HA GLN 99 HA GLN 99 -18.484 -16.652 17.028 745 HB2 GLN 99 HB2 GLN 99 -16.908 -15.818 18.710 746 HB3 GLN 99 HB1 GLN 99 -17.257 -14.163 18.230 747 HG2 GLN 99 HG2 GLN 99 -19.563 -14.426 18.977 748 HG3 GLN 99 HG1 GLN 99 -19.221 -16.090 19.447 749 HE21 GLN 99 HE21 GLN 99 -18.704 -12.740 20.188 750 HE22 GLN 99 HE22 GLN 99 -18.089 -12.979 21.787 751 H LEU 100 HN LEU 100 -17.863 -13.725 15.305 752 HA LEU 100 HA LEU 100 -20.462 -12.567 15.681 753 HB2 LEU 100 HB2 LEU 100 -18.245 -11.952 13.734 754 HB3 LEU 100 HB1 LEU 100 -19.739 -11.040 13.819 755 HG LEU 100 HG LEU 100 -17.696 -11.285 16.031 756 HD11 LEU 100 HD11 LEU 100 -17.312 -8.902 15.598 757 HD12 LEU 100 HD12 LEU 100 -18.414 -8.981 14.224 758 HD13 LEU 100 HD13 LEU 100 -16.909 -9.901 14.201 759 HD21 LEU 100 HD21 LEU 100 -19.931 -11.079 16.944 760 HD22 LEU 100 HD22 LEU 100 -20.264 -9.712 15.882 761 HD23 LEU 100 HD23 LEU 100 -19.052 -9.565 17.154 762 H ARG 101 HN ARG 101 -20.618 -15.236 14.812 763 HA ARG 101 HA ARG 101 -21.592 -15.094 12.064 764 HB2 ARG 101 HB2 ARG 101 -21.974 -17.531 12.348 765 HB3 ARG 101 HB1 ARG 101 -20.309 -17.069 12.673 766 HG2 ARG 101 HG2 ARG 101 -20.852 -17.072 15.101 767 HG3 ARG 101 HG1 ARG 101 -22.444 -17.714 14.692 768 HD2 ARG 101 HD2 ARG 101 -21.411 -19.668 13.682 769 HD3 ARG 101 HD1 ARG 101 -19.810 -19.014 14.024 770 HE ARG 101 HE ARG 101 -21.618 -19.453 16.274 771 HH11 ARG 101 HH11 ARG 101 -18.809 -20.466 14.456 772 HH12 ARG 101 HH12 ARG 101 -18.197 -21.481 15.722 773 HH21 ARG 101 HH21 ARG 101 -20.816 -20.785 17.947 774 HH22 ARG 101 HH22 ARG 101 -19.345 -21.669 17.705 775 H ASP 102 HN ASP 102 -22.665 -14.951 15.305 776 HA ASP 102 HA ASP 102 -25.460 -15.422 14.607 777 HB2 ASP 102 HB2 ASP 102 -24.102 -14.903 17.259 778 HB3 ASP 102 HB1 ASP 102 -25.836 -15.118 17.070 779 H LEU 103 HN LEU 103 -23.293 -12.858 15.656 780 HA LEU 103 HA LEU 103 -23.503 -10.596 15.784 781 HB2 LEU 103 HB2 LEU 103 -25.417 -11.173 13.533 782 HB3 LEU 103 HB1 LEU 103 -24.918 -9.556 13.986 783 HG LEU 103 HG LEU 103 -23.113 -11.743 12.954 784 HD11 LEU 103 HD11 LEU 103 -22.901 -10.326 10.989 785 HD12 LEU 103 HD12 LEU 103 -24.036 -9.170 11.684 786 HD13 LEU 103 HD13 LEU 103 -24.581 -10.790 11.249 787 HD21 LEU 103 HD21 LEU 103 -21.408 -9.946 12.877 788 HD22 LEU 103 HD22 LEU 103 -21.901 -10.369 14.516 789 HD23 LEU 103 HD23 LEU 103 -22.519 -8.900 13.762 790 H ARG 104 HN ARG 104 -24.669 -11.458 17.854 791 HA ARG 104 HA ARG 104 -27.484 -10.721 17.952 792 HB2 ARG 104 HB2 ARG 104 -25.637 -11.907 20.030 793 HB3 ARG 104 HB1 ARG 104 -27.348 -11.591 20.282 794 HG2 ARG 104 HG2 ARG 104 -27.957 -13.198 18.621 795 HG3 ARG 104 HG1 ARG 104 -26.273 -13.412 18.143 796 HD2 ARG 104 HD2 ARG 104 -27.017 -15.256 19.542 797 HD3 ARG 104 HD1 ARG 104 -25.761 -14.321 20.349 798 HE ARG 104 HE ARG 104 -28.350 -13.414 21.091 799 HH11 ARG 104 HH11 ARG 104 -26.026 -15.970 21.638 800 HH12 ARG 104 HH12 ARG 104 -26.618 -16.354 23.222 801 HH21 ARG 104 HH21 ARG 104 -29.136 -13.909 23.193 802 HH22 ARG 104 HH22 ARG 104 -28.389 -15.181 24.105 803 H GLN 105 HN GLN 105 -24.462 -9.312 18.474 804 HA GLN 105 HA GLN 105 -25.400 -7.411 20.460 805 HB2 GLN 105 HB2 GLN 105 -23.135 -6.509 20.391 806 HB3 GLN 105 HB1 GLN 105 -23.099 -8.254 20.599 807 HG2 GLN 105 HG2 GLN 105 -22.648 -8.485 18.173 808 HG3 GLN 105 HG1 GLN 105 -22.560 -6.728 18.063 809 HE21 GLN 105 HE21 GLN 105 -20.816 -5.652 18.981 810 HE22 GLN 105 HE22 GLN 105 -19.363 -6.473 19.434 811 H LEU 106 HN LEU 106 -26.036 -7.717 17.346 812 HA LEU 106 HA LEU 106 -26.023 -4.816 16.861 813 HB2 LEU 106 HB2 LEU 106 -25.644 -7.003 14.811 814 HB3 LEU 106 HB1 LEU 106 -25.791 -5.296 14.449 815 HG LEU 106 HG LEU 106 -23.544 -6.562 16.020 816 HD11 LEU 106 HD11 LEU 106 -22.179 -6.078 14.074 817 HD12 LEU 106 HD12 LEU 106 -23.582 -5.423 13.230 818 HD13 LEU 106 HD13 LEU 106 -23.520 -7.137 13.635 819 HD21 LEU 106 HD21 LEU 106 -22.482 -4.354 15.812 820 HD22 LEU 106 HD22 LEU 106 -23.971 -4.290 16.755 821 HD23 LEU 106 HD23 LEU 106 -23.959 -3.725 15.085 Start of MODEL 17 1 H GLY -4 HT1 GLY -4 7.291 -23.939 -5.056 2 HA2 GLY -4 HA1 GLY -4 5.797 -24.546 -6.827 3 HA3 GLY -4 HA2 GLY -4 4.783 -25.393 -5.668 4 H ILE -3 HN ILE -3 2.961 -24.117 -6.049 5 HA ILE -3 HA ILE -3 3.107 -21.252 -5.755 6 HB ILE -3 HB ILE -3 0.627 -22.984 -5.814 7 HG12 ILE -3 HG12 ILE -3 2.075 -21.605 -8.089 8 HG13 ILE -3 HG11 ILE -3 1.987 -23.343 -7.828 9 HG21 ILE -3 HG21 ILE -3 0.238 -20.743 -4.952 10 HG22 ILE -3 HG22 ILE -3 -0.483 -20.919 -6.552 11 HG23 ILE -3 HG23 ILE -3 1.035 -20.045 -6.362 12 HD11 ILE -3 HD11 ILE -3 0.450 -22.638 -9.563 13 HD12 ILE -3 HD12 ILE -3 -0.335 -21.530 -8.436 14 HD13 ILE -3 HD13 ILE -3 -0.428 -23.271 -8.170 15 H ASP -2 HN ASP -2 4.171 -21.413 -3.647 16 HA ASP -2 HA ASP -2 2.617 -22.350 -1.402 17 HB2 ASP -2 HB2 ASP -2 5.280 -20.915 -1.533 18 HB3 ASP -2 HB1 ASP -2 4.566 -21.589 -0.077 19 HA PRO -1 HA PRO -1 0.584 -18.538 -0.439 20 HB2 PRO -1 HB2 PRO -1 0.579 -18.778 2.310 21 HB3 PRO -1 HB1 PRO -1 -0.590 -19.551 1.236 22 HG2 PRO -1 HG2 PRO -1 1.861 -20.695 2.507 23 HG3 PRO -1 HG1 PRO -1 0.268 -21.437 2.274 24 HD2 PRO -1 HD2 PRO -1 2.344 -22.041 0.687 25 HD3 PRO -1 HD1 PRO -1 0.689 -21.943 0.052 26 H PHE 0 HN PHE 0 3.641 -19.431 0.950 27 HA PHE 0 HA PHE 0 4.264 -16.929 2.151 28 HB2 PHE 0 HB2 PHE 0 6.062 -19.181 1.232 29 HB3 PHE 0 HB1 PHE 0 6.601 -17.798 2.176 30 HD1 PHE 0 HD1 PHE 0 5.672 -17.469 4.482 31 HD2 PHE 0 HD2 PHE 0 5.086 -21.048 2.256 32 HE1 PHE 0 HE1 PHE 0 5.117 -18.667 6.559 33 HE2 PHE 0 HE2 PHE 0 4.529 -22.250 4.328 34 HZ PHE 0 HZ PHE 0 4.544 -21.060 6.481 35 H THR 1 HN THR 1 5.142 -18.436 -0.950 36 HA THR 1 HA THR 1 6.736 -16.241 -1.788 37 HB THR 1 HB THR 1 6.482 -17.377 -4.082 38 HG1 THR 1 HG1 THR 1 5.146 -19.011 -4.173 39 HG21 THR 1 HG21 THR 1 7.606 -18.911 -1.734 40 HG22 THR 1 HG22 THR 1 8.443 -17.667 -2.661 41 HG23 THR 1 HG23 THR 1 8.011 -19.196 -3.426 42 H LEU 2 HN LEU 2 3.362 -17.135 -2.202 43 HA LEU 2 HA LEU 2 2.704 -15.123 -4.086 44 HB2 LEU 2 HB2 LEU 2 0.980 -16.454 -1.995 45 HB3 LEU 2 HB1 LEU 2 0.375 -15.453 -3.299 46 HG LEU 2 HG LEU 2 1.832 -18.075 -3.650 47 HD11 LEU 2 HD11 LEU 2 -1.086 -17.378 -3.929 48 HD12 LEU 2 HD12 LEU 2 -0.367 -18.394 -2.679 49 HD13 LEU 2 HD13 LEU 2 -0.354 -18.922 -4.361 50 HD21 LEU 2 HD21 LEU 2 2.211 -16.563 -5.518 51 HD22 LEU 2 HD22 LEU 2 0.477 -16.273 -5.653 52 HD23 LEU 2 HD23 LEU 2 1.131 -17.875 -5.993 53 H ASN 3 HN ASN 3 2.708 -15.220 -0.552 54 HA ASN 3 HA ASN 3 1.670 -12.614 -0.169 55 HB2 ASN 3 HB2 ASN 3 1.660 -14.280 1.628 56 HB3 ASN 3 HB1 ASN 3 3.420 -14.287 1.650 57 HD21 ASN 3 HD21 ASN 3 4.510 -12.665 2.676 58 HD22 ASN 3 HD22 ASN 3 3.732 -11.444 3.622 59 H HIS 4 HN HIS 4 4.953 -13.906 -0.425 60 HA HIS 4 HA HIS 4 6.292 -11.468 0.029 61 HB2 HIS 4 HB2 HIS 4 7.449 -13.643 0.098 62 HB3 HIS 4 HB1 HIS 4 7.200 -13.830 -1.636 63 HD1 HIS 4 HD1 HIS 4 8.840 -12.657 -3.187 64 HD2 HIS 4 HD2 HIS 4 9.352 -11.629 0.808 65 HE1 HIS 4 HE1 HIS 4 10.971 -11.331 -3.097 66 HE2 HIS 4 HE2 HIS 4 11.355 -10.883 -0.648 67 H GLN 5 HN GLN 5 4.938 -12.930 -2.885 68 HA GLN 5 HA GLN 5 6.123 -11.170 -4.732 69 HB2 GLN 5 HB2 GLN 5 5.104 -13.270 -5.442 70 HB3 GLN 5 HB1 GLN 5 3.518 -12.685 -4.952 71 HG2 GLN 5 HG2 GLN 5 3.557 -10.986 -6.644 72 HG3 GLN 5 HG1 GLN 5 5.216 -11.391 -7.070 73 HE21 GLN 5 HE21 GLN 5 4.710 -11.800 -9.188 74 HE22 GLN 5 HE22 GLN 5 3.822 -13.199 -9.685 75 H VAL 6 HN VAL 6 2.884 -11.082 -3.235 76 HA VAL 6 HA VAL 6 2.139 -8.666 -4.495 77 HB VAL 6 HB VAL 6 0.457 -10.175 -3.564 78 HG11 VAL 6 HG11 VAL 6 0.044 -10.292 -1.156 79 HG12 VAL 6 HG12 VAL 6 1.492 -9.331 -0.862 80 HG13 VAL 6 HG13 VAL 6 1.630 -10.937 -1.577 81 HG21 VAL 6 HG21 VAL 6 0.432 -7.450 -2.274 82 HG22 VAL 6 HG22 VAL 6 -0.969 -8.502 -2.478 83 HG23 VAL 6 HG23 VAL 6 -0.144 -7.848 -3.893 84 H MET 7 HN MET 7 3.824 -9.365 -1.490 85 HA MET 7 HA MET 7 3.717 -6.676 -0.524 86 HB2 MET 7 HB2 MET 7 4.130 -8.883 0.799 87 HB3 MET 7 HB1 MET 7 5.809 -8.653 0.325 88 HG2 MET 7 HG2 MET 7 5.423 -7.737 2.524 89 HG3 MET 7 HG1 MET 7 5.796 -6.444 1.381 90 HE1 MET 7 HE1 MET 7 4.565 -5.734 4.161 91 HE2 MET 7 HE2 MET 7 3.286 -4.608 3.711 92 HE3 MET 7 HE3 MET 7 4.848 -4.536 2.898 93 H ASP 8 HN ASP 8 5.889 -8.537 -2.523 94 HA ASP 8 HA ASP 8 8.019 -6.654 -2.599 95 HB2 ASP 8 HB2 ASP 8 8.330 -8.995 -3.268 96 HB3 ASP 8 HB1 ASP 8 7.200 -8.778 -4.599 97 H GLN 9 HN GLN 9 5.206 -7.272 -4.636 98 HA GLN 9 HA GLN 9 5.743 -5.407 -6.649 99 HB2 GLN 9 HB2 GLN 9 4.026 -7.225 -6.734 100 HB3 GLN 9 HB1 GLN 9 3.020 -6.267 -5.656 101 HG2 GLN 9 HG2 GLN 9 2.318 -6.036 -7.971 102 HG3 GLN 9 HG1 GLN 9 2.886 -4.500 -7.318 103 HE21 GLN 9 HE21 GLN 9 3.291 -3.693 -9.376 104 HE22 GLN 9 HE22 GLN 9 4.643 -4.218 -10.319 105 H VAL 10 HN VAL 10 3.756 -5.062 -3.699 106 HA VAL 10 HA VAL 10 3.087 -2.358 -4.184 107 HB VAL 10 HB VAL 10 1.774 -3.737 -2.646 108 HG11 VAL 10 HG11 VAL 10 4.172 -3.598 -0.830 109 HG12 VAL 10 HG12 VAL 10 3.539 -5.038 -1.624 110 HG13 VAL 10 HG13 VAL 10 2.584 -4.224 -0.385 111 HG21 VAL 10 HG21 VAL 10 1.521 -2.105 -0.817 112 HG22 VAL 10 HG22 VAL 10 1.606 -1.341 -2.405 113 HG23 VAL 10 HG23 VAL 10 3.011 -1.320 -1.339 114 H PHE 11 HN PHE 11 5.777 -3.888 -2.494 115 HA PHE 11 HA PHE 11 6.815 -1.536 -1.323 116 HB2 PHE 11 HB2 PHE 11 7.551 -3.689 -0.511 117 HB3 PHE 11 HB1 PHE 11 8.189 -4.118 -2.097 118 HD1 PHE 11 HD1 PHE 11 8.544 -1.447 0.481 119 HD2 PHE 11 HD2 PHE 11 10.443 -3.874 -2.454 120 HE1 PHE 11 HE1 PHE 11 10.721 -0.477 1.090 121 HE2 PHE 11 HE2 PHE 11 12.622 -2.910 -1.847 122 HZ PHE 11 HZ PHE 11 12.761 -1.207 -0.075 123 H ASP 12 HN ASP 12 7.576 -3.193 -4.382 124 HA ASP 12 HA ASP 12 9.550 -1.408 -5.263 125 HB2 ASP 12 HB2 ASP 12 9.225 -3.519 -6.393 126 HB3 ASP 12 HB1 ASP 12 7.582 -3.076 -6.844 127 H GLN 13 HN GLN 13 6.058 -1.258 -5.392 128 HA GLN 13 HA GLN 13 5.909 0.947 -7.175 129 HB2 GLN 13 HB2 GLN 13 4.052 -0.689 -6.684 130 HB3 GLN 13 HB1 GLN 13 3.841 0.119 -5.137 131 HG2 GLN 13 HG2 GLN 13 2.239 0.866 -6.840 132 HG3 GLN 13 HG1 GLN 13 3.253 2.177 -6.236 133 HE21 GLN 13 HE21 GLN 13 2.562 0.087 -8.933 134 HE22 GLN 13 HE22 GLN 13 3.413 1.010 -10.121 135 H VAL 14 HN VAL 14 5.495 0.715 -3.620 136 HA VAL 14 HA VAL 14 5.230 3.481 -3.202 137 HB VAL 14 HB VAL 14 5.699 3.087 -0.855 138 HG11 VAL 14 HG11 VAL 14 3.996 1.416 -0.372 139 HG12 VAL 14 HG12 VAL 14 4.093 0.827 -2.032 140 HG13 VAL 14 HG13 VAL 14 3.503 2.457 -1.708 141 HG21 VAL 14 HG21 VAL 14 6.325 0.832 -0.044 142 HG22 VAL 14 HG22 VAL 14 7.599 1.627 -0.968 143 HG23 VAL 14 HG23 VAL 14 6.630 0.358 -1.714 144 H GLU 15 HN GLU 15 8.064 1.433 -3.468 145 HA GLU 15 HA GLU 15 10.042 3.224 -2.649 146 HB2 GLU 15 HB2 GLU 15 10.554 0.900 -3.098 147 HB3 GLU 15 HB1 GLU 15 10.094 1.081 -4.784 148 HG2 GLU 15 HG2 GLU 15 11.975 2.580 -5.150 149 HG3 GLU 15 HG1 GLU 15 12.431 2.432 -3.454 150 H HIS 16 HN HIS 16 8.481 2.795 -5.791 151 HA HIS 16 HA HIS 16 9.991 4.655 -7.245 152 HB2 HIS 16 HB2 HIS 16 8.403 2.981 -8.219 153 HB3 HIS 16 HB1 HIS 16 7.067 3.979 -7.659 154 HD1 HIS 16 HD1 HIS 16 9.540 3.637 -10.380 155 HD2 HIS 16 HD2 HIS 16 6.802 6.466 -9.059 156 HE1 HIS 16 HE1 HIS 16 9.262 5.248 -12.285 157 HE2 HIS 16 HE2 HIS 16 7.425 6.799 -11.548 158 H GLN 17 HN GLN 17 6.889 5.055 -5.524 159 HA GLN 17 HA GLN 17 6.547 7.782 -6.042 160 HB2 GLN 17 HB2 GLN 17 5.589 5.986 -3.839 161 HB3 GLN 17 HB1 GLN 17 5.296 7.714 -3.749 162 HG2 GLN 17 HG2 GLN 17 3.354 6.742 -4.656 163 HG3 GLN 17 HG1 GLN 17 4.179 7.544 -5.989 164 HE21 GLN 17 HE21 GLN 17 4.983 6.331 -7.665 165 HE22 GLN 17 HE22 GLN 17 4.651 4.640 -7.845 166 H ILE 18 HN ILE 18 8.174 6.181 -3.312 167 HA ILE 18 HA ILE 18 8.869 8.494 -1.889 168 HB ILE 18 HB ILE 18 10.273 5.822 -2.036 169 HG12 ILE 18 HG12 ILE 18 8.425 6.995 0.055 170 HG13 ILE 18 HG11 ILE 18 7.946 5.821 -1.166 171 HG21 ILE 18 HG21 ILE 18 11.386 6.473 0.063 172 HG22 ILE 18 HG22 ILE 18 10.707 8.093 -0.099 173 HG23 ILE 18 HG23 ILE 18 11.859 7.497 -1.293 174 HD11 ILE 18 HD11 ILE 18 9.964 5.381 1.021 175 HD12 ILE 18 HD12 ILE 18 9.508 4.202 -0.209 176 HD13 ILE 18 HD13 ILE 18 8.318 4.750 0.972 177 H ALA 19 HN ALA 19 10.660 6.705 -4.377 178 HA ALA 19 HA ALA 19 12.962 8.304 -4.395 179 HB1 ALA 19 HB1 ALA 19 11.744 6.768 -6.687 180 HB2 ALA 19 HB2 ALA 19 12.836 6.108 -5.470 181 HB3 ALA 19 HB3 ALA 19 13.406 7.346 -6.591 182 H GLN 20 HN GLN 20 9.847 8.698 -5.966 183 HA GLN 20 HA GLN 20 10.606 10.817 -7.688 184 HB2 GLN 20 HB2 GLN 20 7.887 10.192 -6.531 185 HB3 GLN 20 HB1 GLN 20 8.197 11.290 -7.867 186 HG2 GLN 20 HG2 GLN 20 8.645 8.318 -7.833 187 HG3 GLN 20 HG1 GLN 20 7.386 9.190 -8.700 188 HE21 GLN 20 HE21 GLN 20 10.712 8.267 -8.642 189 HE22 GLN 20 HE22 GLN 20 11.113 8.827 -10.228 190 H VAL 21 HN VAL 21 9.193 10.724 -4.446 191 HA VAL 21 HA VAL 21 8.832 13.480 -4.095 192 HB VAL 21 HB VAL 21 9.408 11.370 -2.003 193 HG11 VAL 21 HG11 VAL 21 8.360 12.921 -0.419 194 HG12 VAL 21 HG12 VAL 21 8.246 14.137 -1.691 195 HG13 VAL 21 HG13 VAL 21 9.827 13.599 -1.123 196 HG21 VAL 21 HG21 VAL 21 6.979 11.334 -1.690 197 HG22 VAL 21 HG22 VAL 21 7.426 10.875 -3.334 198 HG23 VAL 21 HG23 VAL 21 6.792 12.490 -3.010 199 H LEU 22 HN LEU 22 11.539 11.407 -3.049 200 HA LEU 22 HA LEU 22 13.081 13.502 -1.957 201 HB2 LEU 22 HB2 LEU 22 13.972 10.833 -3.053 202 HB3 LEU 22 HB1 LEU 22 14.966 11.901 -2.082 203 HG LEU 22 HG LEU 22 12.427 10.556 -1.156 204 HD11 LEU 22 HD11 LEU 22 13.921 9.239 0.268 205 HD12 LEU 22 HD12 LEU 22 15.314 10.005 -0.492 206 HD13 LEU 22 HD13 LEU 22 14.247 8.975 -1.444 207 HD21 LEU 22 HD21 LEU 22 12.735 12.696 -0.060 208 HD22 LEU 22 HD22 LEU 22 14.406 12.285 0.324 209 HD23 LEU 22 HD23 LEU 22 13.085 11.385 1.066 210 H GLY 23 HN GLY 23 12.992 12.056 -5.172 211 HA2 GLY 23 HA2 GLY 23 15.240 13.462 -6.195 212 HA3 GLY 23 HA1 GLY 23 14.004 12.656 -7.146 213 H ALA 24 HN ALA 24 11.801 14.183 -6.052 214 HA ALA 24 HA ALA 24 11.899 16.412 -7.823 215 HB1 ALA 24 HB1 ALA 24 9.862 15.772 -5.694 216 HB2 ALA 24 HB2 ALA 24 9.824 15.189 -7.358 217 HB3 ALA 24 HB3 ALA 24 9.659 16.914 -7.023 218 H LYS 25 HN LYS 25 12.536 15.971 -4.435 219 HA LYS 25 HA LYS 25 12.538 18.779 -3.822 220 HB2 LYS 25 HB2 LYS 25 13.660 16.405 -2.333 221 HB3 LYS 25 HB1 LYS 25 13.698 18.051 -1.722 222 HG2 LYS 25 HG2 LYS 25 11.181 18.047 -1.921 223 HG3 LYS 25 HG1 LYS 25 11.304 16.307 -2.203 224 HD2 LYS 25 HD2 LYS 25 12.486 16.057 -0.068 225 HD3 LYS 25 HD1 LYS 25 12.338 17.792 0.214 226 HE2 LYS 25 HE2 LYS 25 9.860 17.514 0.094 227 HE3 LYS 25 HE1 LYS 25 10.111 15.770 0.030 228 HZ1 LYS 25 HZ1 LYS 25 9.706 16.312 2.272 229 HZ2 LYS 25 HZ2 LYS 25 10.783 17.618 2.241 230 HZ3 LYS 25 HZ3 LYS 25 11.374 16.038 2.163 231 H GLY 26 HN GLY 26 14.729 16.512 -5.168 232 HA2 GLY 26 HA2 GLY 26 16.746 17.041 -6.243 233 HA3 GLY 26 HA1 GLY 26 16.787 18.567 -5.369 234 H GLY 27 HN GLY 27 16.097 15.692 -3.602 235 HA2 GLY 27 HA2 GLY 27 18.702 15.971 -2.266 236 HA3 GLY 27 HA1 GLY 27 17.259 15.264 -1.553 237 HA PRO 28 HA PRO 28 20.066 11.932 -3.365 238 HB2 PRO 28 HB2 PRO 28 20.977 10.834 -1.076 239 HB3 PRO 28 HB1 PRO 28 21.780 12.209 -1.843 240 HG2 PRO 28 HG2 PRO 28 19.898 12.167 0.480 241 HG3 PRO 28 HG1 PRO 28 21.388 13.102 0.264 242 HD2 PRO 28 HD2 PRO 28 18.891 14.136 -0.123 243 HD3 PRO 28 HD1 PRO 28 20.335 14.726 -0.967 244 H LEU 29 HN LEU 29 19.576 9.709 -3.412 245 HA LEU 29 HA LEU 29 16.940 9.078 -2.371 246 HB2 LEU 29 HB2 LEU 29 17.441 8.555 -4.711 247 HB3 LEU 29 HB1 LEU 29 18.769 7.529 -4.208 248 HG LEU 29 HG LEU 29 17.172 6.004 -3.112 249 HD11 LEU 29 HD11 LEU 29 15.423 7.587 -2.563 250 HD12 LEU 29 HD12 LEU 29 14.770 6.268 -3.535 251 HD13 LEU 29 HD13 LEU 29 15.084 7.837 -4.276 252 HD21 LEU 29 HD21 LEU 29 16.172 5.097 -5.156 253 HD22 LEU 29 HD22 LEU 29 17.852 5.572 -5.406 254 HD23 LEU 29 HD23 LEU 29 16.548 6.598 -6.001 255 H VAL 30 HN VAL 30 16.873 8.366 -0.353 256 HA VAL 30 HA VAL 30 19.037 6.977 0.899 257 HB VAL 30 HB VAL 30 16.185 7.192 1.875 258 HG11 VAL 30 HG11 VAL 30 17.171 6.940 4.096 259 HG12 VAL 30 HG12 VAL 30 18.773 6.795 3.375 260 HG13 VAL 30 HG13 VAL 30 17.555 5.557 3.071 261 HG21 VAL 30 HG21 VAL 30 17.010 9.419 1.372 262 HG22 VAL 30 HG22 VAL 30 18.479 9.104 2.297 263 HG23 VAL 30 HG23 VAL 30 16.921 9.185 3.118 264 H ALA 31 HN ALA 31 19.072 4.810 1.563 265 HA ALA 31 HA ALA 31 18.224 2.939 -0.337 266 HB1 ALA 31 HB1 ALA 31 19.045 1.251 1.217 267 HB2 ALA 31 HB2 ALA 31 19.094 2.450 2.509 268 HB3 ALA 31 HB3 ALA 31 20.164 2.610 1.118 269 H VAL 32 HN VAL 32 16.107 2.678 -0.727 270 HA VAL 32 HA VAL 32 14.137 2.698 1.359 271 HB VAL 32 HB VAL 32 13.785 1.858 -1.526 272 HG11 VAL 32 HG11 VAL 32 11.793 2.753 0.552 273 HG12 VAL 32 HG12 VAL 32 11.970 1.123 -0.095 274 HG13 VAL 32 HG13 VAL 32 11.426 2.434 -1.142 275 HG21 VAL 32 HG21 VAL 32 13.405 4.577 -0.274 276 HG22 VAL 32 HG22 VAL 32 13.010 4.141 -1.936 277 HG23 VAL 32 HG23 VAL 32 14.688 4.123 -1.396 278 H GLU 33 HN GLU 33 13.937 1.067 2.687 279 HA GLU 33 HA GLU 33 14.033 -1.674 1.636 280 HB2 GLU 33 HB2 GLU 33 15.286 -0.550 4.133 281 HB3 GLU 33 HB1 GLU 33 14.929 -2.262 3.973 282 HG2 GLU 33 HG2 GLU 33 16.629 -0.742 2.017 283 HG3 GLU 33 HG1 GLU 33 17.278 -1.585 3.423 284 H ILE 34 HN ILE 34 12.651 -3.157 2.658 285 HA ILE 34 HA ILE 34 10.119 -2.035 3.224 286 HB ILE 34 HB ILE 34 10.426 -4.176 2.039 287 HG12 ILE 34 HG12 ILE 34 8.630 -5.454 3.226 288 HG13 ILE 34 HG11 ILE 34 8.769 -4.319 4.563 289 HG21 ILE 34 HG21 ILE 34 12.248 -5.126 3.289 290 HG22 ILE 34 HG22 ILE 34 10.874 -6.232 3.327 291 HG23 ILE 34 HG23 ILE 34 11.246 -5.237 4.735 292 HD11 ILE 34 HD11 ILE 34 6.891 -3.783 3.112 293 HD12 ILE 34 HD12 ILE 34 7.989 -3.617 1.743 294 HD13 ILE 34 HD13 ILE 34 8.095 -2.496 3.101 295 H ASP 35 HN ASP 35 12.716 -3.110 5.249 296 HA ASP 35 HA ASP 35 11.051 -3.146 7.642 297 HB2 ASP 35 HB2 ASP 35 12.878 -4.820 7.268 298 HB3 ASP 35 HB1 ASP 35 14.045 -3.512 7.397 299 H SER 36 HN SER 36 12.662 -0.883 5.816 300 HA SER 36 HA SER 36 13.876 0.700 7.835 301 HB2 SER 36 HB2 SER 36 14.542 0.808 5.453 302 HB3 SER 36 HB1 SER 36 12.972 1.504 5.057 303 HG SER 36 HG SER 36 13.520 3.279 6.419 304 H ARG 37 HN ARG 37 13.129 2.430 8.941 305 HA ARG 37 HA ARG 37 10.261 2.778 9.091 306 HB2 ARG 37 HB2 ARG 37 12.561 3.968 10.636 307 HB3 ARG 37 HB1 ARG 37 10.902 4.499 10.863 308 HG2 ARG 37 HG2 ARG 37 11.316 2.951 12.570 309 HG3 ARG 37 HG1 ARG 37 10.340 2.095 11.382 310 HD2 ARG 37 HD2 ARG 37 12.327 1.007 10.504 311 HD3 ARG 37 HD1 ARG 37 13.338 1.903 11.638 312 HE ARG 37 HE ARG 37 11.595 0.646 13.267 313 HH11 ARG 37 HH11 ARG 37 13.622 -0.523 10.657 314 HH12 ARG 37 HH12 ARG 37 13.811 -2.104 11.337 315 HH21 ARG 37 HH21 ARG 37 11.855 -1.424 14.175 316 HH22 ARG 37 HH22 ARG 37 12.837 -2.604 13.366 317 H PHE 38 HN PHE 38 9.163 4.770 8.667 318 HA PHE 38 HA PHE 38 9.940 5.886 6.232 319 HB2 PHE 38 HB2 PHE 38 7.907 6.740 8.271 320 HB3 PHE 38 HB1 PHE 38 8.178 7.673 6.802 321 HD1 PHE 38 HD1 PHE 38 6.671 4.749 8.246 322 HD2 PHE 38 HD2 PHE 38 7.797 6.591 4.580 323 HE1 PHE 38 HE1 PHE 38 5.161 3.239 7.028 324 HE2 PHE 38 HE2 PHE 38 6.287 5.083 3.357 325 HZ PHE 38 HZ PHE 38 5.005 3.405 4.539 326 H SER 39 HN SER 39 10.073 7.380 9.457 327 HA SER 39 HA SER 39 11.177 9.813 8.613 328 HB2 SER 39 HB2 SER 39 11.923 9.963 11.057 329 HB3 SER 39 HB1 SER 39 10.197 9.755 10.762 330 HG SER 39 HG SER 39 10.285 7.736 11.499 331 H ASP 40 HN ASP 40 12.720 6.819 9.694 332 HA ASP 40 HA ASP 40 15.388 7.744 9.564 333 HB2 ASP 40 HB2 ASP 40 14.226 4.961 9.323 334 HB3 ASP 40 HB1 ASP 40 15.954 5.289 9.382 335 H LEU 41 HN LEU 41 13.158 6.517 7.182 336 HA LEU 41 HA LEU 41 15.126 6.148 5.131 337 HB2 LEU 41 HB2 LEU 41 13.089 4.810 5.272 338 HB3 LEU 41 HB1 LEU 41 12.114 6.247 5.051 339 HG LEU 41 HG LEU 41 12.971 6.492 2.770 340 HD11 LEU 41 HD11 LEU 41 14.441 3.918 3.324 341 HD12 LEU 41 HD12 LEU 41 15.183 5.502 3.110 342 HD13 LEU 41 HD13 LEU 41 14.332 4.740 1.767 343 HD21 LEU 41 HD21 LEU 41 11.934 3.732 3.381 344 HD22 LEU 41 HD22 LEU 41 11.835 4.562 1.826 345 HD23 LEU 41 HD23 LEU 41 10.953 5.188 3.222 346 H GLY 42 HN GLY 42 13.546 8.842 6.426 347 HA2 GLY 42 HA2 GLY 42 14.467 10.982 5.675 348 HA3 GLY 42 HA1 GLY 42 14.302 10.391 4.031 349 H LEU 43 HN LEU 43 11.611 9.312 5.507 350 HA LEU 43 HA LEU 43 10.083 11.573 4.441 351 HB2 LEU 43 HB2 LEU 43 9.206 8.763 5.127 352 HB3 LEU 43 HB1 LEU 43 8.145 10.012 4.515 353 HG LEU 43 HG LEU 43 8.622 8.613 2.685 354 HD11 LEU 43 HD11 LEU 43 9.867 10.038 1.131 355 HD12 LEU 43 HD12 LEU 43 10.434 11.009 2.488 356 HD13 LEU 43 HD13 LEU 43 8.714 10.951 2.102 357 HD21 LEU 43 HD21 LEU 43 11.544 8.824 3.384 358 HD22 LEU 43 HD22 LEU 43 10.875 7.989 1.983 359 HD23 LEU 43 HD23 LEU 43 10.515 7.409 3.608 360 H SER 44 HN SER 44 9.698 13.068 5.964 361 HA SER 44 HA SER 44 9.228 12.355 8.715 362 HB2 SER 44 HB2 SER 44 10.354 14.484 8.049 363 HB3 SER 44 HB1 SER 44 8.837 15.026 7.336 364 HG SER 44 HG SER 44 9.170 15.810 9.484 365 H SER 45 HN SER 45 7.137 13.787 9.602 366 HA SER 45 HA SER 45 4.938 12.184 8.972 367 HB2 SER 45 HB2 SER 45 4.877 14.951 10.194 368 HB3 SER 45 HB1 SER 45 3.640 13.704 10.349 369 HG SER 45 HG SER 45 5.894 12.588 11.103 370 H LEU 46 HN LEU 46 5.767 15.453 7.864 371 HA LEU 46 HA LEU 46 3.436 15.867 6.315 372 HB2 LEU 46 HB2 LEU 46 6.193 17.048 5.947 373 HB3 LEU 46 HB1 LEU 46 4.718 17.654 5.217 374 HG LEU 46 HG LEU 46 5.318 17.607 8.176 375 HD11 LEU 46 HD11 LEU 46 6.668 19.231 6.952 376 HD12 LEU 46 HD12 LEU 46 5.462 20.027 7.962 377 HD13 LEU 46 HD13 LEU 46 5.208 19.899 6.222 378 HD21 LEU 46 HD21 LEU 46 2.976 18.746 6.656 379 HD22 LEU 46 HD22 LEU 46 3.283 18.955 8.380 380 HD23 LEU 46 HD23 LEU 46 2.939 17.352 7.734 381 H ASP 47 HN ASP 47 6.549 14.406 5.620 382 HA ASP 47 HA ASP 47 6.166 14.227 2.798 383 HB2 ASP 47 HB2 ASP 47 8.034 12.624 4.558 384 HB3 ASP 47 HB1 ASP 47 8.131 12.775 2.808 385 H LEU 48 HN LEU 48 5.678 12.076 5.533 386 HA LEU 48 HA LEU 48 4.992 9.745 4.130 387 HB2 LEU 48 HB2 LEU 48 5.426 10.210 6.678 388 HB3 LEU 48 HB1 LEU 48 3.699 10.493 6.732 389 HG LEU 48 HG LEU 48 4.939 7.909 5.773 390 HD11 LEU 48 HD11 LEU 48 4.296 7.002 7.956 391 HD12 LEU 48 HD12 LEU 48 3.820 8.617 8.481 392 HD13 LEU 48 HD13 LEU 48 5.508 8.274 8.104 393 HD21 LEU 48 HD21 LEU 48 2.683 8.293 4.933 394 HD22 LEU 48 HD22 LEU 48 2.115 8.612 6.571 395 HD23 LEU 48 HD23 LEU 48 2.691 7.004 6.138 396 H ALA 49 HN ALA 49 2.988 12.397 5.384 397 HA ALA 49 HA ALA 49 0.504 11.428 4.494 398 HB1 ALA 49 HB1 ALA 49 1.374 14.289 4.883 399 HB2 ALA 49 HB2 ALA 49 0.727 13.227 6.135 400 HB3 ALA 49 HB3 ALA 49 -0.291 13.718 4.781 401 H THR 50 HN THR 50 2.918 13.475 2.920 402 HA THR 50 HA THR 50 1.443 13.959 0.563 403 HB THR 50 HB THR 50 4.442 13.915 0.978 404 HG1 THR 50 HG1 THR 50 3.720 15.536 2.235 405 HG21 THR 50 HG21 THR 50 3.858 13.775 -1.398 406 HG22 THR 50 HG22 THR 50 4.550 15.349 -1.006 407 HG23 THR 50 HG23 THR 50 2.808 15.182 -1.227 408 H LEU 51 HN LEU 51 3.620 11.372 1.550 409 HA LEU 51 HA LEU 51 3.791 10.011 -0.902 410 HB2 LEU 51 HB2 LEU 51 5.243 9.518 1.008 411 HB3 LEU 51 HB1 LEU 51 3.866 8.926 1.917 412 HG LEU 51 HG LEU 51 3.596 7.101 0.255 413 HD11 LEU 51 HD11 LEU 51 5.434 6.646 -1.299 414 HD12 LEU 51 HD12 LEU 51 6.186 8.177 -0.851 415 HD13 LEU 51 HD13 LEU 51 4.623 8.167 -1.667 416 HD21 LEU 51 HD21 LEU 51 5.508 5.792 1.008 417 HD22 LEU 51 HD22 LEU 51 4.830 6.741 2.331 418 HD23 LEU 51 HD23 LEU 51 6.318 7.266 1.542 419 H ILE 52 HN ILE 52 1.424 9.892 1.713 420 HA ILE 52 HA ILE 52 -0.134 7.750 0.867 421 HB ILE 52 HB ILE 52 -1.081 10.305 2.172 422 HG12 ILE 52 HG12 ILE 52 0.639 9.156 3.482 423 HG13 ILE 52 HG11 ILE 52 -0.930 9.054 4.272 424 HG21 ILE 52 HG21 ILE 52 -2.942 9.107 1.182 425 HG22 ILE 52 HG22 ILE 52 -3.002 8.982 2.939 426 HG23 ILE 52 HG23 ILE 52 -2.432 7.619 1.978 427 HD11 ILE 52 HD11 ILE 52 -1.195 6.780 3.410 428 HD12 ILE 52 HD12 ILE 52 0.235 6.953 4.428 429 HD13 ILE 52 HD13 ILE 52 0.403 6.889 2.674 430 H SER 53 HN SER 53 -0.527 11.201 0.075 431 HA SER 53 HA SER 53 -2.702 10.900 -1.655 432 HB2 SER 53 HB2 SER 53 -0.555 13.030 -1.748 433 HB3 SER 53 HB1 SER 53 -2.185 13.156 -2.408 434 HG SER 53 HG SER 53 -2.845 12.686 -0.124 435 H ASN 54 HN ASN 54 0.747 10.630 -2.237 436 HA ASN 54 HA ASN 54 0.540 10.581 -5.085 437 HB2 ASN 54 HB2 ASN 54 2.716 10.064 -3.110 438 HB3 ASN 54 HB1 ASN 54 2.921 9.469 -4.754 439 HD21 ASN 54 HD21 ASN 54 2.552 12.312 -2.757 440 HD22 ASN 54 HD22 ASN 54 3.096 13.447 -3.947 441 H LEU 55 HN LEU 55 0.875 8.075 -2.596 442 HA LEU 55 HA LEU 55 0.895 5.912 -4.448 443 HB2 LEU 55 HB2 LEU 55 1.815 5.813 -2.152 444 HB3 LEU 55 HB1 LEU 55 0.190 5.928 -1.514 445 HG LEU 55 HG LEU 55 -0.375 3.762 -2.486 446 HD11 LEU 55 HD11 LEU 55 1.031 3.814 -4.460 447 HD12 LEU 55 HD12 LEU 55 1.384 2.375 -3.504 448 HD13 LEU 55 HD13 LEU 55 2.480 3.756 -3.459 449 HD21 LEU 55 HD21 LEU 55 0.530 3.809 -0.245 450 HD22 LEU 55 HD22 LEU 55 2.175 3.771 -0.879 451 HD23 LEU 55 HD23 LEU 55 1.115 2.379 -1.095 452 H GLU 56 HN GLU 56 -1.583 7.648 -2.705 453 HA GLU 56 HA GLU 56 -3.821 6.067 -3.181 454 HB2 GLU 56 HB2 GLU 56 -3.857 8.050 -1.754 455 HB3 GLU 56 HB1 GLU 56 -3.567 9.084 -3.145 456 HG2 GLU 56 HG2 GLU 56 -5.747 8.264 -4.078 457 HG3 GLU 56 HG1 GLU 56 -6.035 7.491 -2.519 458 H ALA 57 HN ALA 57 -2.102 8.279 -5.303 459 HA ALA 57 HA ALA 57 -4.077 8.346 -7.353 460 HB1 ALA 57 HB1 ALA 57 -2.371 9.426 -8.702 461 HB2 ALA 57 HB2 ALA 57 -1.130 8.961 -7.539 462 HB3 ALA 57 HB3 ALA 57 -2.388 10.106 -7.075 463 H VAL 58 HN VAL 58 -1.746 6.027 -6.438 464 HA VAL 58 HA VAL 58 -1.427 4.867 -9.067 465 HB VAL 58 HB VAL 58 -0.564 3.823 -6.365 466 HG11 VAL 58 HG11 VAL 58 0.225 2.948 -9.139 467 HG12 VAL 58 HG12 VAL 58 -0.761 2.032 -8.000 468 HG13 VAL 58 HG13 VAL 58 0.934 2.358 -7.637 469 HG21 VAL 58 HG21 VAL 58 0.998 5.299 -8.480 470 HG22 VAL 58 HG22 VAL 58 1.663 4.618 -6.996 471 HG23 VAL 58 HG23 VAL 58 0.502 5.943 -6.915 472 H TYR 59 HN TYR 59 -3.046 4.010 -6.028 473 HA TYR 59 HA TYR 59 -4.247 1.674 -7.271 474 HB2 TYR 59 HB2 TYR 59 -4.262 2.775 -4.472 475 HB3 TYR 59 HB1 TYR 59 -5.330 1.460 -4.951 476 HD1 TYR 59 HD1 TYR 59 -4.516 -0.765 -5.137 477 HD2 TYR 59 HD2 TYR 59 -1.795 2.459 -4.607 478 HE1 TYR 59 HE1 TYR 59 -2.700 -2.371 -4.725 479 HE2 TYR 59 HE2 TYR 59 0.023 0.864 -4.189 480 HH TYR 59 HH TYR 59 0.411 -1.358 -3.566 481 H GLY 60 HN GLY 60 -5.179 4.866 -6.173 482 HA2 GLY 60 HA2 GLY 60 -7.078 6.040 -6.950 483 HA3 GLY 60 HA1 GLY 60 -7.810 4.506 -7.412 484 H THR 61 HN THR 61 -7.118 3.250 -4.877 485 HA THR 61 HA THR 61 -9.288 4.356 -3.267 486 HB THR 61 HB THR 61 -9.105 2.204 -2.007 487 HG1 THR 61 HG1 THR 61 -7.793 0.714 -3.730 488 HG21 THR 61 HG21 THR 61 -10.043 0.781 -3.789 489 HG22 THR 61 HG22 THR 61 -9.502 1.953 -4.991 490 HG23 THR 61 HG23 THR 61 -10.730 2.405 -3.808 491 H ASP 62 HN ASP 62 -9.008 4.599 -0.975 492 HA ASP 62 HA ASP 62 -6.238 4.715 -0.051 493 HB2 ASP 62 HB2 ASP 62 -6.633 6.885 1.036 494 HB3 ASP 62 HB1 ASP 62 -6.809 6.998 -0.709 495 HA PRO 63 HA PRO 63 -8.446 2.735 3.289 496 HB2 PRO 63 HB2 PRO 63 -6.320 1.401 4.291 497 HB3 PRO 63 HB1 PRO 63 -7.153 0.884 2.823 498 HG2 PRO 63 HG2 PRO 63 -4.513 2.155 3.134 499 HG3 PRO 63 HG1 PRO 63 -5.126 1.144 1.818 500 HD2 PRO 63 HD2 PRO 63 -4.924 4.000 1.899 501 HD3 PRO 63 HD1 PRO 63 -5.583 2.992 0.600 502 H PHE 64 HN PHE 64 -8.986 4.073 4.913 503 HA PHE 64 HA PHE 64 -6.791 5.277 6.462 504 HB2 PHE 64 HB2 PHE 64 -8.257 6.854 5.100 505 HB3 PHE 64 HB1 PHE 64 -9.561 6.444 6.209 506 HD1 PHE 64 HD1 PHE 64 -9.921 7.849 7.962 507 HD2 PHE 64 HD2 PHE 64 -5.990 7.531 6.360 508 HE1 PHE 64 HE1 PHE 64 -9.142 9.573 9.537 509 HE2 PHE 64 HE2 PHE 64 -5.205 9.253 7.932 510 HZ PHE 64 HZ PHE 64 -6.745 10.280 9.502 511 H ALA 65 HN ALA 65 -9.430 3.171 6.515 512 HA ALA 65 HA ALA 65 -10.046 3.435 9.303 513 HB1 ALA 65 HB1 ALA 65 -11.703 2.537 7.767 514 HB2 ALA 65 HB2 ALA 65 -11.306 1.348 9.005 515 HB3 ALA 65 HB3 ALA 65 -10.639 1.187 7.382 516 H ASP 66 HN ASP 66 -8.077 1.269 7.324 517 HA ASP 66 HA ASP 66 -7.092 -0.222 9.568 518 HB2 ASP 66 HB2 ASP 66 -7.191 -1.280 7.383 519 HB3 ASP 66 HB1 ASP 66 -6.129 -0.051 6.705 520 H ALA 67 HN ALA 67 -5.949 2.468 7.615 521 HA ALA 67 HA ALA 67 -3.477 2.596 9.170 522 HB1 ALA 67 HB1 ALA 67 -3.281 2.698 6.734 523 HB2 ALA 67 HB2 ALA 67 -2.710 4.187 7.488 524 HB3 ALA 67 HB3 ALA 67 -4.294 4.141 6.711 525 H VAL 68 HN VAL 68 -6.133 3.353 10.257 526 HA VAL 68 HA VAL 68 -6.276 6.178 10.452 527 HB VAL 68 HB VAL 68 -8.193 4.660 10.946 528 HG11 VAL 68 HG11 VAL 68 -7.064 2.942 12.223 529 HG12 VAL 68 HG12 VAL 68 -8.366 3.646 13.179 530 HG13 VAL 68 HG13 VAL 68 -6.693 4.100 13.501 531 HG21 VAL 68 HG21 VAL 68 -8.276 6.975 11.639 532 HG22 VAL 68 HG22 VAL 68 -7.432 6.585 13.138 533 HG23 VAL 68 HG23 VAL 68 -9.055 5.957 12.851 534 H ALA 69 HN ALA 69 -4.486 3.731 12.139 535 HA ALA 69 HA ALA 69 -3.588 5.562 14.197 536 HB1 ALA 69 HB1 ALA 69 -2.288 3.687 15.028 537 HB2 ALA 69 HB2 ALA 69 -2.679 2.752 13.586 538 HB3 ALA 69 HB3 ALA 69 -3.952 3.187 14.724 539 H ILE 70 HN ILE 70 -2.810 7.073 12.537 540 HA ILE 70 HA ILE 70 -0.690 6.576 10.794 541 HB ILE 70 HB ILE 70 -2.005 8.613 10.665 542 HG12 ILE 70 HG12 ILE 70 -0.170 10.294 10.457 543 HG13 ILE 70 HG11 ILE 70 0.913 9.155 11.247 544 HG21 ILE 70 HG21 ILE 70 -1.718 10.440 12.287 545 HG22 ILE 70 HG22 ILE 70 -0.735 9.371 13.289 546 HG23 ILE 70 HG23 ILE 70 -2.435 8.998 13.007 547 HD11 ILE 70 HD11 ILE 70 0.618 7.586 9.414 548 HD12 ILE 70 HD12 ILE 70 1.188 9.149 8.826 549 HD13 ILE 70 HD13 ILE 70 -0.506 8.698 8.633 550 H THR 71 HN THR 71 -0.750 7.069 14.222 551 HA THR 71 HA THR 71 2.008 7.617 14.599 552 HB THR 71 HB THR 71 1.417 6.813 16.987 553 HG1 THR 71 HG1 THR 71 -0.762 6.548 17.379 554 HG21 THR 71 HG21 THR 71 1.579 9.175 16.359 555 HG22 THR 71 HG22 THR 71 0.226 8.915 17.460 556 HG23 THR 71 HG23 THR 71 -0.070 9.130 15.735 557 H SER 72 HN SER 72 0.160 4.720 14.125 558 HA SER 72 HA SER 72 2.296 3.005 15.110 559 HB2 SER 72 HB2 SER 72 -0.402 2.317 13.918 560 HB3 SER 72 HB1 SER 72 0.735 1.156 14.604 561 HG SER 72 HG SER 72 0.484 2.951 16.447 562 H ILE 73 HN ILE 73 1.637 4.620 12.296 563 HA ILE 73 HA ILE 73 2.666 2.639 10.471 564 HB ILE 73 HB ILE 73 2.362 5.627 10.078 565 HG12 ILE 73 HG12 ILE 73 0.208 4.526 10.537 566 HG13 ILE 73 HG11 ILE 73 0.298 5.081 8.869 567 HG21 ILE 73 HG21 ILE 73 3.956 4.675 8.521 568 HG22 ILE 73 HG22 ILE 73 2.465 5.097 7.677 569 HG23 ILE 73 HG23 ILE 73 2.805 3.414 8.079 570 HD11 ILE 73 HD11 ILE 73 -0.730 2.904 8.977 571 HD12 ILE 73 HD12 ILE 73 0.667 2.254 9.835 572 HD13 ILE 73 HD13 ILE 73 0.829 2.788 8.162 573 H VAL 74 HN VAL 74 4.612 1.991 11.286 574 HA VAL 74 HA VAL 74 6.613 4.042 11.913 575 HB VAL 74 HB VAL 74 6.604 1.103 12.627 576 HG11 VAL 74 HG11 VAL 74 8.389 1.711 14.199 577 HG12 VAL 74 HG12 VAL 74 8.381 3.352 13.555 578 HG13 VAL 74 HG13 VAL 74 8.848 2.004 12.523 579 HG21 VAL 74 HG21 VAL 74 4.790 2.286 13.736 580 HG22 VAL 74 HG22 VAL 74 5.925 3.507 14.317 581 HG23 VAL 74 HG23 VAL 74 6.046 1.844 14.893 582 H THR 75 HN THR 75 6.440 0.814 10.392 583 HA THR 75 HA THR 75 8.852 1.504 8.865 584 HB THR 75 HB THR 75 9.018 -0.912 8.367 585 HG1 THR 75 HG1 THR 75 6.572 -0.929 9.785 586 HG21 THR 75 HG21 THR 75 9.595 -1.660 10.645 587 HG22 THR 75 HG22 THR 75 8.759 -0.253 11.303 588 HG23 THR 75 HG23 THR 75 10.198 -0.039 10.307 589 H VAL 76 HN VAL 76 8.925 0.788 6.576 590 HA VAL 76 HA VAL 76 6.804 1.764 5.055 591 HB VAL 76 HB VAL 76 8.889 -0.265 4.213 592 HG11 VAL 76 HG11 VAL 76 8.428 0.488 1.928 593 HG12 VAL 76 HG12 VAL 76 7.126 1.513 2.531 594 HG13 VAL 76 HG13 VAL 76 7.003 -0.241 2.669 595 HG21 VAL 76 HG21 VAL 76 10.075 1.680 3.285 596 HG22 VAL 76 HG22 VAL 76 9.895 1.792 5.035 597 HG23 VAL 76 HG23 VAL 76 8.852 2.744 3.979 598 H ALA 77 HN ALA 77 7.502 -1.477 6.190 599 HA ALA 77 HA ALA 77 5.673 -2.967 4.731 600 HB1 ALA 77 HB1 ALA 77 7.420 -3.942 6.132 601 HB2 ALA 77 HB2 ALA 77 5.835 -4.614 6.517 602 HB3 ALA 77 HB3 ALA 77 6.562 -3.406 7.575 603 H ASP 78 HN ASP 78 5.151 -0.954 7.571 604 HA ASP 78 HA ASP 78 2.635 -2.010 8.309 605 HB2 ASP 78 HB2 ASP 78 3.862 0.709 8.793 606 HB3 ASP 78 HB1 ASP 78 2.318 0.213 9.473 607 H LEU 79 HN LEU 79 3.551 0.666 6.193 608 HA LEU 79 HA LEU 79 0.810 1.350 5.635 609 HB2 LEU 79 HB2 LEU 79 2.628 3.034 5.664 610 HB3 LEU 79 HB1 LEU 79 3.343 2.254 4.265 611 HG LEU 79 HG LEU 79 1.273 2.772 2.977 612 HD11 LEU 79 HD11 LEU 79 -0.303 2.953 4.800 613 HD12 LEU 79 HD12 LEU 79 -0.257 4.468 3.899 614 HD13 LEU 79 HD13 LEU 79 0.568 4.341 5.452 615 HD21 LEU 79 HD21 LEU 79 3.239 4.194 2.804 616 HD22 LEU 79 HD22 LEU 79 2.703 5.127 4.201 617 HD23 LEU 79 HD23 LEU 79 1.764 5.156 2.708 618 H ALA 80 HN ALA 80 3.466 -0.255 3.930 619 HA ALA 80 HA ALA 80 2.203 -0.535 1.440 620 HB1 ALA 80 HB1 ALA 80 4.604 -0.841 1.749 621 HB2 ALA 80 HB2 ALA 80 3.880 -2.251 0.976 622 HB3 ALA 80 HB3 ALA 80 4.305 -2.303 2.687 623 H ARG 81 HN ARG 81 2.036 -2.458 4.360 624 HA ARG 81 HA ARG 81 0.871 -4.786 3.331 625 HB2 ARG 81 HB2 ARG 81 1.776 -4.576 5.608 626 HB3 ARG 81 HB1 ARG 81 0.458 -3.494 6.031 627 HG2 ARG 81 HG2 ARG 81 -1.139 -5.327 5.619 628 HG3 ARG 81 HG1 ARG 81 0.225 -6.403 5.297 629 HD2 ARG 81 HD2 ARG 81 -0.562 -6.637 7.599 630 HD3 ARG 81 HD1 ARG 81 1.084 -6.007 7.537 631 HE ARG 81 HE ARG 81 -1.021 -4.020 7.719 632 HH11 ARG 81 HH11 ARG 81 1.316 -5.978 9.440 633 HH12 ARG 81 HH12 ARG 81 1.331 -4.956 10.842 634 HH21 ARG 81 HH21 ARG 81 -1.003 -2.666 9.550 635 HH22 ARG 81 HH22 ARG 81 0.005 -3.067 10.905 636 H ALA 82 HN ALA 82 -0.548 -1.707 4.273 637 HA ALA 82 HA ALA 82 -3.255 -2.529 4.157 638 HB1 ALA 82 HB1 ALA 82 -2.545 -0.502 5.333 639 HB2 ALA 82 HB2 ALA 82 -3.781 -0.146 4.127 640 HB3 ALA 82 HB3 ALA 82 -2.091 0.233 3.796 641 H TYR 83 HN TYR 83 -1.065 -1.063 1.801 642 HA TYR 83 HA TYR 83 -3.094 -0.929 -0.225 643 HB2 TYR 83 HB2 TYR 83 -0.133 -0.398 -0.241 644 HB3 TYR 83 HB1 TYR 83 -1.116 -0.305 -1.701 645 HD1 TYR 83 HD1 TYR 83 -0.568 1.160 1.640 646 HD2 TYR 83 HD2 TYR 83 -2.550 1.567 -2.103 647 HE1 TYR 83 HE1 TYR 83 -1.183 3.469 2.224 648 HE2 TYR 83 HE2 TYR 83 -3.172 3.876 -1.528 649 HH TYR 83 HH TYR 83 -1.831 5.532 1.153 650 H ALA 84 HN ALA 84 -0.796 -3.276 0.820 651 HA ALA 84 HA ALA 84 -0.770 -4.873 -1.530 652 HB1 ALA 84 HB1 ALA 84 0.023 -6.668 -0.077 653 HB2 ALA 84 HB2 ALA 84 -0.416 -5.725 1.347 654 HB3 ALA 84 HB3 ALA 84 0.867 -5.160 0.277 655 H GLN 85 HN GLN 85 -3.078 -4.304 0.945 656 HA GLN 85 HA GLN 85 -4.684 -6.623 0.179 657 HB2 GLN 85 HB2 GLN 85 -5.047 -4.571 2.365 658 HB3 GLN 85 HB1 GLN 85 -6.147 -5.909 2.065 659 HG2 GLN 85 HG2 GLN 85 -4.417 -7.503 2.577 660 HG3 GLN 85 HG1 GLN 85 -3.237 -6.207 2.759 661 HE21 GLN 85 HE21 GLN 85 -3.299 -4.909 4.580 662 HE22 GLN 85 HE22 GLN 85 -4.200 -5.341 5.992 663 H GLN 86 HN GLN 86 -4.245 -3.515 -0.840 664 HA GLN 86 HA GLN 86 -7.021 -2.887 -1.367 665 HB2 GLN 86 HB2 GLN 86 -4.452 -1.510 -2.159 666 HB3 GLN 86 HB1 GLN 86 -6.049 -0.932 -2.616 667 HG2 GLN 86 HG2 GLN 86 -5.000 -1.230 0.187 668 HG3 GLN 86 HG1 GLN 86 -5.207 0.280 -0.700 669 HE21 GLN 86 HE21 GLN 86 -7.302 1.030 -1.114 670 HE22 GLN 86 HE22 GLN 86 -8.654 0.488 -0.178 671 H GLY 87 HN GLY 87 -8.111 -3.508 -3.103 672 HA2 GLY 87 HA2 GLY 87 -8.571 -4.331 -5.193 673 HA3 GLY 87 HA1 GLY 87 -6.973 -3.787 -5.685 674 H VAL 88 HN VAL 88 -8.189 -6.219 -3.396 675 HA VAL 88 HA VAL 88 -6.086 -8.021 -3.843 676 HB VAL 88 HB VAL 88 -7.330 -8.218 -1.821 677 HG11 VAL 88 HG11 VAL 88 -9.743 -8.831 -3.521 678 HG12 VAL 88 HG12 VAL 88 -9.482 -7.378 -2.557 679 HG13 VAL 88 HG13 VAL 88 -9.686 -8.939 -1.761 680 HG21 VAL 88 HG21 VAL 88 -7.944 -10.608 -1.807 681 HG22 VAL 88 HG22 VAL 88 -6.398 -10.300 -2.598 682 HG23 VAL 88 HG23 VAL 88 -7.836 -10.619 -3.568 683 HA PRO 89 HA PRO 89 -7.145 -9.543 -7.840 684 HB2 PRO 89 HB2 PRO 89 -5.509 -11.738 -7.777 685 HB3 PRO 89 HB1 PRO 89 -4.944 -10.098 -8.115 686 HG2 PRO 89 HG2 PRO 89 -4.864 -11.639 -5.549 687 HG3 PRO 89 HG1 PRO 89 -3.618 -10.605 -6.274 688 HD2 PRO 89 HD2 PRO 89 -5.189 -9.733 -4.268 689 HD3 PRO 89 HD1 PRO 89 -4.648 -8.654 -5.571 690 H GLY 90 HN GLY 90 -9.173 -10.340 -7.918 691 HA2 GLY 90 HA2 GLY 90 -9.500 -13.167 -7.358 692 HA3 GLY 90 HA1 GLY 90 -10.521 -12.091 -6.415 693 HA PRO 91 HA PRO 91 -11.882 -11.550 -11.071 694 HB2 PRO 91 HB2 PRO 91 -10.632 -13.953 -12.258 695 HB3 PRO 91 HB1 PRO 91 -10.762 -12.318 -12.912 696 HG2 PRO 91 HG2 PRO 91 -8.427 -13.264 -12.032 697 HG3 PRO 91 HG1 PRO 91 -8.888 -11.570 -11.774 698 HD2 PRO 91 HD2 PRO 91 -8.961 -13.867 -9.854 699 HD3 PRO 91 HD1 PRO 91 -8.455 -12.188 -9.579 700 H SER 92 HN SER 92 -13.929 -12.203 -11.130 701 HA SER 92 HA SER 92 -14.709 -14.611 -9.786 702 HB2 SER 92 HB2 SER 92 -16.486 -12.745 -11.353 703 HB3 SER 92 HB1 SER 92 -16.944 -13.818 -10.031 704 HG SER 92 HG SER 92 -16.098 -11.285 -9.918 705 HA PRO 93 HA PRO 93 -14.939 -17.104 -13.547 706 HB2 PRO 93 HB2 PRO 93 -16.287 -19.050 -11.822 707 HB3 PRO 93 HB1 PRO 93 -14.754 -19.199 -12.683 708 HG2 PRO 93 HG2 PRO 93 -14.882 -19.006 -9.997 709 HG3 PRO 93 HG1 PRO 93 -13.534 -18.339 -10.933 710 HD2 PRO 93 HD2 PRO 93 -15.898 -16.930 -9.749 711 HD3 PRO 93 HD1 PRO 93 -14.194 -16.430 -9.799 712 H ASP 94 HN ASP 94 -17.343 -15.821 -11.582 713 HA ASP 94 HA ASP 94 -19.687 -16.886 -12.764 714 HB2 ASP 94 HB2 ASP 94 -19.249 -14.223 -11.385 715 HB3 ASP 94 HB1 ASP 94 -20.816 -14.947 -11.726 716 HA PRO 95 HA PRO 95 -19.685 -15.185 -16.729 717 HB2 PRO 95 HB2 PRO 95 -22.344 -14.664 -17.140 718 HB3 PRO 95 HB1 PRO 95 -21.624 -16.276 -17.201 719 HG2 PRO 95 HG2 PRO 95 -23.100 -14.940 -14.967 720 HG3 PRO 95 HG1 PRO 95 -23.214 -16.614 -15.541 721 HD2 PRO 95 HD2 PRO 95 -21.815 -15.972 -13.342 722 HD3 PRO 95 HD1 PRO 95 -21.278 -17.255 -14.443 723 H LEU 96 HN LEU 96 -20.793 -13.191 -14.169 724 HA LEU 96 HA LEU 96 -21.497 -10.906 -15.700 725 HB2 LEU 96 HB2 LEU 96 -22.337 -11.122 -13.467 726 HB3 LEU 96 HB1 LEU 96 -20.721 -11.249 -12.811 727 HG LEU 96 HG LEU 96 -20.333 -8.869 -13.561 728 HD11 LEU 96 HD11 LEU 96 -22.404 -7.509 -13.859 729 HD12 LEU 96 HD12 LEU 96 -23.300 -9.016 -14.050 730 HD13 LEU 96 HD13 LEU 96 -22.039 -8.586 -15.204 731 HD21 LEU 96 HD21 LEU 96 -20.764 -9.427 -11.247 732 HD22 LEU 96 HD22 LEU 96 -22.502 -9.409 -11.541 733 HD23 LEU 96 HD23 LEU 96 -21.570 -7.918 -11.667 734 H ASP 97 HN ASP 97 -18.548 -11.720 -13.845 735 HA ASP 97 HA ASP 97 -17.150 -9.433 -14.885 736 HB2 ASP 97 HB2 ASP 97 -16.356 -11.754 -13.163 737 HB3 ASP 97 HB1 ASP 97 -15.118 -10.725 -13.876 738 H ALA 98 HN ALA 98 -17.716 -12.637 -15.925 739 HA ALA 98 HA ALA 98 -15.492 -12.825 -17.718 740 HB1 ALA 98 HB1 ALA 98 -16.632 -14.761 -18.635 741 HB2 ALA 98 HB2 ALA 98 -18.107 -14.326 -17.773 742 HB3 ALA 98 HB3 ALA 98 -16.672 -14.812 -16.872 743 H GLN 99 HN GLN 99 -18.711 -11.499 -17.857 744 HA GLN 99 HA GLN 99 -18.624 -11.045 -20.706 745 HB2 GLN 99 HB2 GLN 99 -20.764 -11.400 -19.523 746 HB3 GLN 99 HB1 GLN 99 -20.489 -9.929 -18.601 747 HG2 GLN 99 HG2 GLN 99 -20.548 -8.630 -20.682 748 HG3 GLN 99 HG1 GLN 99 -20.875 -10.113 -21.581 749 HE21 GLN 99 HE21 GLN 99 -22.157 -7.730 -19.420 750 HE22 GLN 99 HE22 GLN 99 -23.810 -8.231 -19.523 751 H LEU 100 HN LEU 100 -18.070 -9.240 -17.751 752 HA LEU 100 HA LEU 100 -17.569 -6.787 -19.237 753 HB2 LEU 100 HB2 LEU 100 -17.416 -7.268 -16.264 754 HB3 LEU 100 HB1 LEU 100 -17.446 -5.714 -17.074 755 HG LEU 100 HG LEU 100 -19.722 -7.699 -16.972 756 HD11 LEU 100 HD11 LEU 100 -19.310 -6.590 -14.840 757 HD12 LEU 100 HD12 LEU 100 -20.811 -6.023 -15.573 758 HD13 LEU 100 HD13 LEU 100 -19.363 -5.019 -15.640 759 HD21 LEU 100 HD21 LEU 100 -21.043 -5.910 -18.016 760 HD22 LEU 100 HD22 LEU 100 -19.742 -6.469 -19.067 761 HD23 LEU 100 HD23 LEU 100 -19.577 -4.946 -18.196 762 H ARG 101 HN ARG 101 -15.703 -8.224 -20.188 763 HA ARG 101 HA ARG 101 -13.299 -8.003 -18.530 764 HB2 ARG 101 HB2 ARG 101 -13.702 -9.266 -21.249 765 HB3 ARG 101 HB1 ARG 101 -12.185 -9.256 -20.358 766 HG2 ARG 101 HG2 ARG 101 -13.213 -10.555 -18.572 767 HG3 ARG 101 HG1 ARG 101 -14.747 -10.546 -19.443 768 HD2 ARG 101 HD2 ARG 101 -13.680 -12.645 -19.844 769 HD3 ARG 101 HD1 ARG 101 -13.606 -11.700 -21.329 770 HE ARG 101 HE ARG 101 -11.256 -11.360 -19.756 771 HH11 ARG 101 HH11 ARG 101 -12.844 -13.548 -21.979 772 HH12 ARG 101 HH12 ARG 101 -11.365 -14.294 -22.499 773 HH21 ARG 101 HH21 ARG 101 -9.307 -12.347 -20.433 774 HH22 ARG 101 HH22 ARG 101 -9.355 -13.612 -21.622 775 H ASP 102 HN ASP 102 -14.117 -7.275 -21.932 776 HA ASP 102 HA ASP 102 -12.433 -4.899 -21.804 777 HB2 ASP 102 HB2 ASP 102 -12.268 -6.140 -23.867 778 HB3 ASP 102 HB1 ASP 102 -14.019 -6.133 -24.068 779 H LEU 103 HN LEU 103 -15.757 -5.883 -21.837 780 HA LEU 103 HA LEU 103 -16.846 -3.265 -22.228 781 HB2 LEU 103 HB2 LEU 103 -18.148 -5.773 -21.166 782 HB3 LEU 103 HB1 LEU 103 -18.992 -4.321 -21.661 783 HG LEU 103 HG LEU 103 -17.361 -6.085 -23.490 784 HD11 LEU 103 HD11 LEU 103 -19.520 -6.750 -24.423 785 HD12 LEU 103 HD12 LEU 103 -20.346 -5.793 -23.193 786 HD13 LEU 103 HD13 LEU 103 -19.388 -7.196 -22.722 787 HD21 LEU 103 HD21 LEU 103 -17.375 -3.766 -24.217 788 HD22 LEU 103 HD22 LEU 103 -19.131 -3.715 -24.073 789 HD23 LEU 103 HD23 LEU 103 -18.375 -4.754 -25.281 790 H ARG 104 HN ARG 104 -15.272 -2.510 -20.469 791 HA ARG 104 HA ARG 104 -16.851 -1.867 -18.157 792 HB2 ARG 104 HB2 ARG 104 -15.307 -2.693 -16.479 793 HB3 ARG 104 HB1 ARG 104 -15.837 -4.038 -17.478 794 HG2 ARG 104 HG2 ARG 104 -13.737 -3.952 -18.719 795 HG3 ARG 104 HG1 ARG 104 -13.208 -2.590 -17.731 796 HD2 ARG 104 HD2 ARG 104 -13.403 -4.024 -15.725 797 HD3 ARG 104 HD1 ARG 104 -13.816 -5.381 -16.770 798 HE ARG 104 HE ARG 104 -11.246 -3.967 -17.071 799 HH11 ARG 104 HH11 ARG 104 -13.072 -6.911 -16.528 800 HH12 ARG 104 HH12 ARG 104 -11.683 -7.947 -16.619 801 HH21 ARG 104 HH21 ARG 104 -9.408 -5.341 -17.173 802 HH22 ARG 104 HH22 ARG 104 -9.605 -7.054 -16.977 803 H GLN 105 HN GLN 105 -15.735 -0.199 -16.835 804 HA GLN 105 HA GLN 105 -14.130 1.488 -18.584 805 HB2 GLN 105 HB2 GLN 105 -15.499 2.021 -15.949 806 HB3 GLN 105 HB1 GLN 105 -14.505 3.209 -16.781 807 HG2 GLN 105 HG2 GLN 105 -17.013 1.934 -17.855 808 HG3 GLN 105 HG1 GLN 105 -16.867 3.573 -17.218 809 HE21 GLN 105 HE21 GLN 105 -15.768 5.130 -18.424 810 HE22 GLN 105 HE22 GLN 105 -15.443 4.917 -20.109 811 H LEU 106 HN LEU 106 -12.951 -0.855 -17.472 812 HA LEU 106 HA LEU 106 -10.791 0.374 -15.909 813 HB2 LEU 106 HB2 LEU 106 -11.847 -2.447 -15.649 814 HB3 LEU 106 HB1 LEU 106 -10.455 -1.805 -14.802 815 HG LEU 106 HG LEU 106 -13.285 -0.807 -14.455 816 HD11 LEU 106 HD11 LEU 106 -13.017 -3.083 -13.619 817 HD12 LEU 106 HD12 LEU 106 -13.213 -1.934 -12.296 818 HD13 LEU 106 HD13 LEU 106 -11.616 -2.577 -12.676 819 HD21 LEU 106 HD21 LEU 106 -12.356 0.354 -12.497 820 HD22 LEU 106 HD22 LEU 106 -11.641 0.917 -14.007 821 HD23 LEU 106 HD23 LEU 106 -10.741 -0.181 -12.961 Start of MODEL 18 1 H GLY -4 HT1 GLY -4 2.278 -26.836 -2.828 2 HA2 GLY -4 HA1 GLY -4 1.725 -26.396 -5.144 3 HA3 GLY -4 HA2 GLY -4 0.300 -27.407 -4.964 4 H ILE -3 HN ILE -3 0.892 -24.429 -5.464 5 HA ILE -3 HA ILE -3 -0.030 -22.413 -5.005 6 HB ILE -3 HB ILE -3 -2.284 -23.962 -3.714 7 HG12 ILE -3 HG12 ILE -3 -1.901 -23.183 -6.616 8 HG13 ILE -3 HG11 ILE -3 -1.778 -24.817 -5.977 9 HG21 ILE -3 HG21 ILE -3 -3.644 -22.032 -4.398 10 HG22 ILE -3 HG22 ILE -3 -2.199 -21.240 -5.024 11 HG23 ILE -3 HG23 ILE -3 -2.352 -21.559 -3.296 12 HD11 ILE -3 HD11 ILE -3 -4.131 -24.749 -5.351 13 HD12 ILE -3 HD12 ILE -3 -3.909 -24.448 -7.075 14 HD13 ILE -3 HD13 ILE -3 -4.253 -23.108 -5.982 15 H ASP -2 HN ASP -2 1.837 -22.320 -3.479 16 HA ASP -2 HA ASP -2 1.135 -22.375 -0.672 17 HB2 ASP -2 HB2 ASP -2 3.483 -21.882 -0.288 18 HB3 ASP -2 HB1 ASP -2 3.339 -23.219 -1.416 19 HA PRO -1 HA PRO -1 0.051 -18.069 -0.709 20 HB2 PRO -1 HB2 PRO -1 -0.103 -17.708 1.968 21 HB3 PRO -1 HB1 PRO -1 -1.335 -18.589 1.059 22 HG2 PRO -1 HG2 PRO -1 0.941 -19.654 2.687 23 HG3 PRO -1 HG1 PRO -1 -0.740 -20.210 2.618 24 HD2 PRO -1 HD2 PRO -1 1.271 -21.441 1.276 25 HD3 PRO -1 HD1 PRO -1 -0.402 -21.403 0.681 26 H PHE 0 HN PHE 0 2.898 -19.438 0.515 27 HA PHE 0 HA PHE 0 4.099 -17.234 1.787 28 HB2 PHE 0 HB2 PHE 0 5.517 -19.462 0.317 29 HB3 PHE 0 HB1 PHE 0 6.157 -18.476 1.627 30 HD1 PHE 0 HD1 PHE 0 4.316 -18.509 3.719 31 HD2 PHE 0 HD2 PHE 0 5.157 -21.630 0.952 32 HE1 PHE 0 HE1 PHE 0 3.548 -20.166 5.363 33 HE2 PHE 0 HE2 PHE 0 4.388 -23.294 2.592 34 HZ PHE 0 HZ PHE 0 3.536 -22.574 4.765 35 H THR 1 HN THR 1 4.779 -18.590 -1.449 36 HA THR 1 HA THR 1 6.284 -16.336 -2.277 37 HB THR 1 HB THR 1 6.022 -17.291 -4.584 38 HG1 THR 1 HG1 THR 1 4.687 -19.443 -3.255 39 HG21 THR 1 HG21 THR 1 7.338 -19.304 -4.134 40 HG22 THR 1 HG22 THR 1 6.870 -19.237 -2.436 41 HG23 THR 1 HG23 THR 1 7.874 -17.961 -3.125 42 H LEU 2 HN LEU 2 2.891 -17.183 -2.517 43 HA LEU 2 HA LEU 2 2.187 -15.261 -4.467 44 HB2 LEU 2 HB2 LEU 2 0.794 -17.211 -3.922 45 HB3 LEU 2 HB1 LEU 2 0.480 -16.542 -2.333 46 HG LEU 2 HG LEU 2 -0.656 -14.611 -3.407 47 HD11 LEU 2 HD11 LEU 2 -0.273 -16.216 -5.931 48 HD12 LEU 2 HD12 LEU 2 0.456 -14.652 -5.565 49 HD13 LEU 2 HD13 LEU 2 -1.291 -14.785 -5.767 50 HD21 LEU 2 HD21 LEU 2 -2.674 -15.842 -4.045 51 HD22 LEU 2 HD22 LEU 2 -1.943 -16.497 -2.580 52 HD23 LEU 2 HD23 LEU 2 -1.736 -17.334 -4.118 53 H ASN 3 HN ASN 3 2.218 -15.178 -0.921 54 HA ASN 3 HA ASN 3 1.033 -12.589 -0.745 55 HB2 ASN 3 HB2 ASN 3 1.084 -14.298 1.113 56 HB3 ASN 3 HB1 ASN 3 2.789 -13.922 1.326 57 HD21 ASN 3 HD21 ASN 3 -0.461 -12.818 1.722 58 HD22 ASN 3 HD22 ASN 3 -0.097 -11.456 2.720 59 H HIS 4 HN HIS 4 4.348 -13.810 -0.677 60 HA HIS 4 HA HIS 4 5.587 -11.295 -0.277 61 HB2 HIS 4 HB2 HIS 4 6.580 -13.934 -1.324 62 HB3 HIS 4 HB1 HIS 4 7.620 -12.514 -1.303 63 HD1 HIS 4 HD1 HIS 4 9.203 -12.957 0.561 64 HD2 HIS 4 HD2 HIS 4 5.268 -13.775 1.624 65 HE1 HIS 4 HE1 HIS 4 9.263 -13.495 3.016 66 HE2 HIS 4 HE2 HIS 4 6.862 -13.920 3.655 67 H GLN 5 HN GLN 5 4.440 -12.984 -3.105 68 HA GLN 5 HA GLN 5 5.677 -11.465 -5.099 69 HB2 GLN 5 HB2 GLN 5 4.424 -13.528 -5.554 70 HB3 GLN 5 HB1 GLN 5 2.927 -12.726 -5.106 71 HG2 GLN 5 HG2 GLN 5 3.230 -11.164 -6.982 72 HG3 GLN 5 HG1 GLN 5 4.688 -12.037 -7.447 73 HE21 GLN 5 HE21 GLN 5 3.526 -14.637 -6.737 74 HE22 GLN 5 HE22 GLN 5 2.403 -15.008 -7.997 75 H VAL 6 HN VAL 6 2.540 -10.999 -3.499 76 HA VAL 6 HA VAL 6 1.919 -8.574 -4.822 77 HB VAL 6 HB VAL 6 0.901 -9.536 -2.140 78 HG11 VAL 6 HG11 VAL 6 -1.039 -8.125 -2.609 79 HG12 VAL 6 HG12 VAL 6 -0.285 -7.579 -4.106 80 HG13 VAL 6 HG13 VAL 6 0.443 -7.173 -2.552 81 HG21 VAL 6 HG21 VAL 6 0.534 -11.219 -3.858 82 HG22 VAL 6 HG22 VAL 6 -0.203 -10.007 -4.908 83 HG23 VAL 6 HG23 VAL 6 -0.991 -10.462 -3.397 84 H MET 7 HN MET 7 3.487 -9.326 -1.745 85 HA MET 7 HA MET 7 3.682 -6.696 -0.774 86 HB2 MET 7 HB2 MET 7 4.027 -8.592 0.688 87 HB3 MET 7 HB1 MET 7 5.420 -9.109 -0.249 88 HG2 MET 7 HG2 MET 7 5.951 -7.975 1.909 89 HG3 MET 7 HG1 MET 7 6.719 -7.275 0.488 90 HE1 MET 7 HE1 MET 7 3.002 -5.371 2.477 91 HE2 MET 7 HE2 MET 7 3.727 -6.871 3.061 92 HE3 MET 7 HE3 MET 7 2.937 -6.829 1.485 93 H ASP 8 HN ASP 8 5.975 -8.634 -2.684 94 HA ASP 8 HA ASP 8 7.986 -6.665 -2.850 95 HB2 ASP 8 HB2 ASP 8 8.279 -9.079 -3.440 96 HB3 ASP 8 HB1 ASP 8 7.337 -8.795 -4.899 97 H GLN 9 HN GLN 9 5.101 -7.289 -4.720 98 HA GLN 9 HA GLN 9 5.635 -5.546 -6.874 99 HB2 GLN 9 HB2 GLN 9 3.928 -7.369 -6.874 100 HB3 GLN 9 HB1 GLN 9 2.941 -6.391 -5.798 101 HG2 GLN 9 HG2 GLN 9 2.185 -6.230 -8.105 102 HG3 GLN 9 HG1 GLN 9 2.747 -4.673 -7.499 103 HE21 GLN 9 HE21 GLN 9 4.610 -3.769 -8.338 104 HE22 GLN 9 HE22 GLN 9 5.372 -4.366 -9.773 105 H VAL 10 HN VAL 10 3.606 -5.099 -3.959 106 HA VAL 10 HA VAL 10 3.001 -2.395 -4.518 107 HB VAL 10 HB VAL 10 1.644 -3.720 -2.961 108 HG11 VAL 10 HG11 VAL 10 4.061 -3.599 -1.176 109 HG12 VAL 10 HG12 VAL 10 3.290 -5.038 -1.845 110 HG13 VAL 10 HG13 VAL 10 2.450 -4.066 -0.637 111 HG21 VAL 10 HG21 VAL 10 1.501 -1.316 -2.791 112 HG22 VAL 10 HG22 VAL 10 2.888 -1.282 -1.703 113 HG23 VAL 10 HG23 VAL 10 1.380 -2.036 -1.184 114 H PHE 11 HN PHE 11 5.590 -3.938 -2.694 115 HA PHE 11 HA PHE 11 6.733 -1.677 -1.518 116 HB2 PHE 11 HB2 PHE 11 7.402 -3.900 -0.853 117 HB3 PHE 11 HB1 PHE 11 7.997 -4.252 -2.471 118 HD1 PHE 11 HD1 PHE 11 8.545 -1.935 0.386 119 HD2 PHE 11 HD2 PHE 11 10.232 -3.956 -2.956 120 HE1 PHE 11 HE1 PHE 11 10.779 -1.148 1.042 121 HE2 PHE 11 HE2 PHE 11 12.472 -3.172 -2.305 122 HZ PHE 11 HZ PHE 11 12.745 -1.766 -0.304 123 H ASP 12 HN ASP 12 7.219 -3.107 -4.711 124 HA ASP 12 HA ASP 12 9.333 -1.503 -5.594 125 HB2 ASP 12 HB2 ASP 12 8.608 -3.472 -6.837 126 HB3 ASP 12 HB1 ASP 12 7.055 -2.716 -7.177 127 H GLN 13 HN GLN 13 5.838 -1.005 -5.771 128 HA GLN 13 HA GLN 13 5.981 1.452 -7.173 129 HB2 GLN 13 HB2 GLN 13 3.948 -0.019 -7.004 130 HB3 GLN 13 HB1 GLN 13 3.757 0.535 -5.346 131 HG2 GLN 13 HG2 GLN 13 2.299 1.783 -6.778 132 HG3 GLN 13 HG1 GLN 13 3.565 2.847 -6.172 133 HE21 GLN 13 HE21 GLN 13 2.245 1.245 -8.950 134 HE22 GLN 13 HE22 GLN 13 3.178 2.094 -10.133 135 H VAL 14 HN VAL 14 5.731 0.628 -3.732 136 HA VAL 14 HA VAL 14 5.466 3.219 -2.717 137 HB VAL 14 HB VAL 14 6.820 0.835 -1.438 138 HG11 VAL 14 HG11 VAL 14 6.419 1.998 0.696 139 HG12 VAL 14 HG12 VAL 14 5.858 3.412 -0.195 140 HG13 VAL 14 HG13 VAL 14 7.534 2.885 -0.345 141 HG21 VAL 14 HG21 VAL 14 4.016 1.914 -1.167 142 HG22 VAL 14 HG22 VAL 14 4.691 0.564 -0.255 143 HG23 VAL 14 HG23 VAL 14 4.483 0.433 -2.001 144 H GLU 15 HN GLU 15 8.431 1.317 -3.322 145 HA GLU 15 HA GLU 15 10.290 3.239 -2.501 146 HB2 GLU 15 HB2 GLU 15 10.898 0.914 -3.100 147 HB3 GLU 15 HB1 GLU 15 10.577 1.277 -4.792 148 HG2 GLU 15 HG2 GLU 15 12.329 3.114 -4.552 149 HG3 GLU 15 HG1 GLU 15 12.770 2.330 -3.038 150 H HIS 16 HN HIS 16 8.758 2.723 -5.646 151 HA HIS 16 HA HIS 16 10.098 4.742 -7.057 152 HB2 HIS 16 HB2 HIS 16 8.722 2.910 -8.071 153 HB3 HIS 16 HB1 HIS 16 7.276 3.754 -7.534 154 HD1 HIS 16 HD1 HIS 16 9.897 3.768 -10.152 155 HD2 HIS 16 HD2 HIS 16 6.691 6.138 -8.972 156 HE1 HIS 16 HE1 HIS 16 9.493 5.361 -12.055 157 HE2 HIS 16 HE2 HIS 16 7.490 6.722 -11.362 158 H GLN 17 HN GLN 17 7.191 4.818 -5.053 159 HA GLN 17 HA GLN 17 6.475 7.497 -5.711 160 HB2 GLN 17 HB2 GLN 17 5.756 5.867 -3.267 161 HB3 GLN 17 HB1 GLN 17 4.999 7.380 -3.739 162 HG2 GLN 17 HG2 GLN 17 4.887 4.757 -5.208 163 HG3 GLN 17 HG1 GLN 17 3.576 5.552 -4.343 164 HE21 GLN 17 HE21 GLN 17 5.425 5.431 -7.239 165 HE22 GLN 17 HE22 GLN 17 4.485 6.562 -8.147 166 H ILE 18 HN ILE 18 8.382 6.027 -3.113 167 HA ILE 18 HA ILE 18 8.855 8.413 -1.667 168 HB ILE 18 HB ILE 18 10.552 5.912 -1.832 169 HG12 ILE 18 HG12 ILE 18 8.501 6.791 0.213 170 HG13 ILE 18 HG11 ILE 18 8.265 5.535 -0.996 171 HG21 ILE 18 HG21 ILE 18 11.863 7.811 -1.040 172 HG22 ILE 18 HG22 ILE 18 11.565 6.663 0.266 173 HG23 ILE 18 HG23 ILE 18 10.636 8.160 0.179 174 HD11 ILE 18 HD11 ILE 18 10.063 4.229 0.041 175 HD12 ILE 18 HD12 ILE 18 8.735 4.557 1.152 176 HD13 ILE 18 HD13 ILE 18 10.234 5.476 1.277 177 H ALA 19 HN ALA 19 10.701 6.739 -4.188 178 HA ALA 19 HA ALA 19 12.854 8.531 -4.342 179 HB1 ALA 19 HB1 ALA 19 11.655 6.858 -6.549 180 HB2 ALA 19 HB2 ALA 19 12.873 6.321 -5.392 181 HB3 ALA 19 HB3 ALA 19 13.260 7.588 -6.556 182 H GLN 20 HN GLN 20 9.658 8.583 -5.803 183 HA GLN 20 HA GLN 20 10.024 10.755 -7.544 184 HB2 GLN 20 HB2 GLN 20 8.061 9.339 -7.696 185 HB3 GLN 20 HB1 GLN 20 7.558 9.801 -6.077 186 HG2 GLN 20 HG2 GLN 20 7.221 12.097 -6.837 187 HG3 GLN 20 HG1 GLN 20 7.723 11.629 -8.459 188 HE21 GLN 20 HE21 GLN 20 5.742 12.268 -9.315 189 HE22 GLN 20 HE22 GLN 20 4.304 11.332 -9.090 190 H VAL 21 HN VAL 21 8.834 10.643 -4.190 191 HA VAL 21 HA VAL 21 8.442 13.392 -3.837 192 HB VAL 21 HB VAL 21 9.237 11.345 -1.754 193 HG11 VAL 21 HG11 VAL 21 9.610 13.606 -0.944 194 HG12 VAL 21 HG12 VAL 21 8.212 12.891 -0.139 195 HG13 VAL 21 HG13 VAL 21 7.979 14.070 -1.430 196 HG21 VAL 21 HG21 VAL 21 6.514 12.323 -2.604 197 HG22 VAL 21 HG22 VAL 21 6.843 11.204 -1.280 198 HG23 VAL 21 HG23 VAL 21 7.199 10.733 -2.942 199 H LEU 22 HN LEU 22 11.283 11.382 -3.129 200 HA LEU 22 HA LEU 22 12.881 13.454 -2.081 201 HB2 LEU 22 HB2 LEU 22 13.744 10.910 -3.462 202 HB3 LEU 22 HB1 LEU 22 14.774 11.931 -2.475 203 HG LEU 22 HG LEU 22 12.371 10.375 -1.509 204 HD11 LEU 22 HD11 LEU 22 15.313 9.985 -0.984 205 HD12 LEU 22 HD12 LEU 22 14.307 8.972 -2.020 206 HD13 LEU 22 HD13 LEU 22 13.995 9.044 -0.286 207 HD21 LEU 22 HD21 LEU 22 14.312 12.119 0.002 208 HD22 LEU 22 HD22 LEU 22 13.080 11.087 0.729 209 HD23 LEU 22 HD23 LEU 22 12.603 12.452 -0.279 210 H GLY 23 HN GLY 23 12.550 12.151 -5.356 211 HA2 GLY 23 HA2 GLY 23 14.559 13.774 -6.530 212 HA3 GLY 23 HA1 GLY 23 13.269 12.943 -7.389 213 H ALA 24 HN ALA 24 11.109 14.219 -6.009 214 HA ALA 24 HA ALA 24 10.831 16.541 -7.595 215 HB1 ALA 24 HB1 ALA 24 9.179 15.681 -5.225 216 HB2 ALA 24 HB2 ALA 24 8.932 15.160 -6.892 217 HB3 ALA 24 HB3 ALA 24 8.710 16.853 -6.456 218 H LYS 25 HN LYS 25 12.052 16.029 -4.386 219 HA LYS 25 HA LYS 25 11.996 18.885 -3.809 220 HB2 LYS 25 HB2 LYS 25 13.056 16.562 -2.196 221 HB3 LYS 25 HB1 LYS 25 13.036 18.234 -1.652 222 HG2 LYS 25 HG2 LYS 25 10.560 18.215 -1.883 223 HG3 LYS 25 HG1 LYS 25 10.655 16.493 -2.253 224 HD2 LYS 25 HD2 LYS 25 11.599 17.809 0.294 225 HD3 LYS 25 HD1 LYS 25 10.115 16.877 0.102 226 HE2 LYS 25 HE2 LYS 25 11.433 14.893 -0.456 227 HE3 LYS 25 HE1 LYS 25 12.918 15.827 -0.277 228 HZ1 LYS 25 HZ1 LYS 25 12.425 14.528 1.702 229 HZ2 LYS 25 HZ2 LYS 25 10.936 15.319 1.879 230 HZ3 LYS 25 HZ3 LYS 25 12.384 16.183 2.042 231 H GLY 26 HN GLY 26 14.027 16.601 -5.256 232 HA2 GLY 26 HA2 GLY 26 15.971 17.095 -6.449 233 HA3 GLY 26 HA1 GLY 26 16.093 18.617 -5.581 234 H GLY 27 HN GLY 27 15.662 15.534 -3.979 235 HA2 GLY 27 HA2 GLY 27 18.399 15.825 -2.908 236 HA3 GLY 27 HA1 GLY 27 17.043 15.209 -1.973 237 HA PRO 28 HA PRO 28 19.465 11.791 -4.352 238 HB2 PRO 28 HB2 PRO 28 20.702 11.202 -1.741 239 HB3 PRO 28 HB1 PRO 28 21.451 11.315 -3.335 240 HG2 PRO 28 HG2 PRO 28 21.846 13.197 -1.471 241 HG3 PRO 28 HG1 PRO 28 21.726 13.605 -3.193 242 HD2 PRO 28 HD2 PRO 28 19.667 13.871 -1.033 243 HD3 PRO 28 HD1 PRO 28 20.071 14.993 -2.351 244 H LEU 29 HN LEU 29 18.652 9.729 -4.330 245 HA LEU 29 HA LEU 29 16.497 9.225 -2.492 246 HB2 LEU 29 HB2 LEU 29 16.065 7.237 -3.856 247 HB3 LEU 29 HB1 LEU 29 16.165 8.692 -4.820 248 HG LEU 29 HG LEU 29 18.669 7.875 -5.150 249 HD11 LEU 29 HD11 LEU 29 18.783 5.442 -5.340 250 HD12 LEU 29 HD12 LEU 29 17.164 5.309 -4.659 251 HD13 LEU 29 HD13 LEU 29 18.485 5.941 -3.676 252 HD21 LEU 29 HD21 LEU 29 17.957 6.812 -7.224 253 HD22 LEU 29 HD22 LEU 29 17.033 8.283 -6.917 254 HD23 LEU 29 HD23 LEU 29 16.307 6.706 -6.610 255 H VAL 30 HN VAL 30 16.391 7.729 -0.917 256 HA VAL 30 HA VAL 30 18.935 6.620 -0.022 257 HB VAL 30 HB VAL 30 17.795 6.219 2.122 258 HG11 VAL 30 HG11 VAL 30 17.478 9.021 1.056 259 HG12 VAL 30 HG12 VAL 30 18.926 8.334 1.791 260 HG13 VAL 30 HG13 VAL 30 17.473 8.573 2.761 261 HG21 VAL 30 HG21 VAL 30 15.535 7.118 2.499 262 HG22 VAL 30 HG22 VAL 30 15.541 5.807 1.320 263 HG23 VAL 30 HG23 VAL 30 15.405 7.480 0.778 264 H ALA 31 HN ALA 31 18.815 4.433 1.044 265 HA ALA 31 HA ALA 31 17.732 2.546 -0.823 266 HB1 ALA 31 HB1 ALA 31 19.916 2.195 0.243 267 HB2 ALA 31 HB2 ALA 31 18.810 0.857 0.556 268 HB3 ALA 31 HB3 ALA 31 19.121 2.058 1.811 269 H VAL 32 HN VAL 32 15.554 2.451 -0.766 270 HA VAL 32 HA VAL 32 14.080 2.490 1.694 271 HB VAL 32 HB VAL 32 13.135 1.803 -1.096 272 HG11 VAL 32 HG11 VAL 32 11.560 2.560 1.363 273 HG12 VAL 32 HG12 VAL 32 11.638 0.955 0.635 274 HG13 VAL 32 HG13 VAL 32 10.898 2.290 -0.248 275 HG21 VAL 32 HG21 VAL 32 12.292 4.110 -1.157 276 HG22 VAL 32 HG22 VAL 32 14.048 4.052 -1.005 277 HG23 VAL 32 HG23 VAL 32 13.052 4.419 0.404 278 H GLU 33 HN GLU 33 13.895 0.809 2.993 279 HA GLU 33 HA GLU 33 14.031 -1.899 1.852 280 HB2 GLU 33 HB2 GLU 33 14.496 -0.976 4.695 281 HB3 GLU 33 HB1 GLU 33 14.613 -2.636 4.130 282 HG2 GLU 33 HG2 GLU 33 16.493 -2.083 2.740 283 HG3 GLU 33 HG1 GLU 33 16.330 -0.374 3.143 284 H ILE 34 HN ILE 34 12.694 -3.501 3.267 285 HA ILE 34 HA ILE 34 9.999 -2.460 3.280 286 HB ILE 34 HB ILE 34 10.517 -4.706 2.358 287 HG12 ILE 34 HG12 ILE 34 8.617 -5.896 3.442 288 HG13 ILE 34 HG11 ILE 34 8.593 -4.653 4.689 289 HG21 ILE 34 HG21 ILE 34 11.005 -5.466 5.231 290 HG22 ILE 34 HG22 ILE 34 12.208 -5.414 3.945 291 HG23 ILE 34 HG23 ILE 34 10.895 -6.588 3.874 292 HD11 ILE 34 HD11 ILE 34 8.026 -2.975 3.046 293 HD12 ILE 34 HD12 ILE 34 6.879 -4.312 2.970 294 HD13 ILE 34 HD13 ILE 34 8.147 -4.168 1.753 295 H ASP 35 HN ASP 35 12.450 -3.322 5.603 296 HA ASP 35 HA ASP 35 10.530 -3.100 7.809 297 HB2 ASP 35 HB2 ASP 35 12.264 -4.104 9.203 298 HB3 ASP 35 HB1 ASP 35 11.971 -5.093 7.777 299 H SER 36 HN SER 36 12.256 -0.977 6.131 300 HA SER 36 HA SER 36 13.560 0.400 8.316 301 HB2 SER 36 HB2 SER 36 14.019 2.129 6.511 302 HB3 SER 36 HB1 SER 36 14.695 0.527 6.225 303 HG SER 36 HG SER 36 12.178 1.314 5.195 304 H ARG 37 HN ARG 37 12.994 2.450 9.105 305 HA ARG 37 HA ARG 37 10.136 2.984 9.114 306 HB2 ARG 37 HB2 ARG 37 12.326 4.556 10.476 307 HB3 ARG 37 HB1 ARG 37 10.614 4.569 10.858 308 HG2 ARG 37 HG2 ARG 37 10.720 2.409 11.822 309 HG3 ARG 37 HG1 ARG 37 12.350 2.140 11.192 310 HD2 ARG 37 HD2 ARG 37 13.157 4.018 12.572 311 HD3 ARG 37 HD1 ARG 37 11.539 4.196 13.242 312 HE ARG 37 HE ARG 37 12.018 1.687 13.895 313 HH11 ARG 37 HH11 ARG 37 14.200 4.415 14.005 314 HH12 ARG 37 HH12 ARG 37 15.061 3.844 15.396 315 HH21 ARG 37 HH21 ARG 37 13.137 0.930 15.742 316 HH22 ARG 37 HH22 ARG 37 14.444 1.863 16.397 317 H PHE 38 HN PHE 38 9.179 4.770 8.192 318 HA PHE 38 HA PHE 38 10.455 6.123 6.087 319 HB2 PHE 38 HB2 PHE 38 7.995 6.892 7.670 320 HB3 PHE 38 HB1 PHE 38 8.509 7.684 6.185 321 HD1 PHE 38 HD1 PHE 38 6.440 5.215 7.522 322 HD2 PHE 38 HD2 PHE 38 8.914 6.036 4.163 323 HE1 PHE 38 HE1 PHE 38 5.203 3.545 6.206 324 HE2 PHE 38 HE2 PHE 38 7.678 4.370 2.842 325 HZ PHE 38 HZ PHE 38 5.820 3.124 3.863 326 H SER 39 HN SER 39 10.198 6.768 9.485 327 HA SER 39 HA SER 39 10.974 9.449 9.548 328 HB2 SER 39 HB2 SER 39 11.612 7.333 11.614 329 HB3 SER 39 HB1 SER 39 11.466 9.070 11.881 330 HG SER 39 HG SER 39 9.217 8.612 10.913 331 H ASP 40 HN ASP 40 12.989 6.489 9.804 332 HA ASP 40 HA ASP 40 15.381 8.071 9.991 333 HB2 ASP 40 HB2 ASP 40 16.580 6.063 10.286 334 HB3 ASP 40 HB1 ASP 40 15.048 5.809 11.103 335 H LEU 41 HN LEU 41 13.555 6.653 7.435 336 HA LEU 41 HA LEU 41 15.601 6.746 5.458 337 HB2 LEU 41 HB2 LEU 41 12.596 6.851 5.210 338 HB3 LEU 41 HB1 LEU 41 13.682 6.764 3.839 339 HG LEU 41 HG LEU 41 13.402 4.661 5.989 340 HD11 LEU 41 HD11 LEU 41 12.363 3.318 4.249 341 HD12 LEU 41 HD12 LEU 41 12.506 4.658 3.111 342 HD13 LEU 41 HD13 LEU 41 11.453 4.804 4.517 343 HD21 LEU 41 HD21 LEU 41 15.040 4.695 3.456 344 HD22 LEU 41 HD22 LEU 41 14.810 3.297 4.504 345 HD23 LEU 41 HD23 LEU 41 15.661 4.719 5.106 346 H GLY 42 HN GLY 42 13.655 9.120 7.005 347 HA2 GLY 42 HA2 GLY 42 14.546 11.380 6.957 348 HA3 GLY 42 HA1 GLY 42 14.876 11.152 5.249 349 H LEU 43 HN LEU 43 11.908 9.796 5.931 350 HA LEU 43 HA LEU 43 10.555 12.004 4.627 351 HB2 LEU 43 HB2 LEU 43 9.582 9.290 5.526 352 HB3 LEU 43 HB1 LEU 43 8.545 10.483 4.777 353 HG LEU 43 HG LEU 43 9.109 8.923 3.096 354 HD11 LEU 43 HD11 LEU 43 10.359 10.252 1.462 355 HD12 LEU 43 HD12 LEU 43 10.850 11.353 2.749 356 HD13 LEU 43 HD13 LEU 43 9.147 11.204 2.318 357 HD21 LEU 43 HD21 LEU 43 11.009 7.857 4.153 358 HD22 LEU 43 HD22 LEU 43 11.999 9.288 3.863 359 HD23 LEU 43 HD23 LEU 43 11.410 8.334 2.502 360 H SER 44 HN SER 44 9.880 13.664 5.802 361 HA SER 44 HA SER 44 9.308 13.367 8.618 362 HB2 SER 44 HB2 SER 44 9.161 15.789 6.805 363 HB3 SER 44 HB1 SER 44 9.019 15.818 8.563 364 HG SER 44 HG SER 44 11.143 14.975 8.673 365 H SER 45 HN SER 45 7.247 15.095 9.098 366 HA SER 45 HA SER 45 5.052 13.406 8.893 367 HB2 SER 45 HB2 SER 45 4.985 16.399 9.325 368 HB3 SER 45 HB1 SER 45 3.760 15.233 9.824 369 HG SER 45 HG SER 45 5.823 14.275 10.933 370 H LEU 46 HN LEU 46 5.706 16.389 7.052 371 HA LEU 46 HA LEU 46 3.381 16.216 5.449 372 HB2 LEU 46 HB2 LEU 46 4.577 18.315 5.730 373 HB3 LEU 46 HB1 LEU 46 6.000 17.637 4.962 374 HG LEU 46 HG LEU 46 4.703 17.412 2.851 375 HD11 LEU 46 HD11 LEU 46 2.591 18.633 2.639 376 HD12 LEU 46 HD12 LEU 46 2.606 18.952 4.373 377 HD13 LEU 46 HD13 LEU 46 2.464 17.297 3.781 378 HD21 LEU 46 HD21 LEU 46 4.739 19.785 2.293 379 HD22 LEU 46 HD22 LEU 46 6.157 19.330 3.239 380 HD23 LEU 46 HD23 LEU 46 4.824 20.192 4.007 381 H ASP 47 HN ASP 47 6.719 15.178 4.971 382 HA ASP 47 HA ASP 47 6.502 14.364 2.299 383 HB2 ASP 47 HB2 ASP 47 8.306 13.285 4.476 384 HB3 ASP 47 HB1 ASP 47 8.513 13.003 2.751 385 H LEU 48 HN LEU 48 6.058 12.570 5.316 386 HA LEU 48 HA LEU 48 5.503 10.065 4.177 387 HB2 LEU 48 HB2 LEU 48 6.014 10.587 6.597 388 HB3 LEU 48 HB1 LEU 48 4.369 11.166 6.751 389 HG LEU 48 HG LEU 48 4.883 8.357 5.824 390 HD11 LEU 48 HD11 LEU 48 4.797 7.619 8.149 391 HD12 LEU 48 HD12 LEU 48 4.788 9.298 8.688 392 HD13 LEU 48 HD13 LEU 48 6.202 8.644 7.860 393 HD21 LEU 48 HD21 LEU 48 2.605 9.257 5.687 394 HD22 LEU 48 HD22 LEU 48 2.653 9.634 7.410 395 HD23 LEU 48 HD23 LEU 48 2.719 7.955 6.871 396 H ALA 49 HN ALA 49 3.366 12.742 5.113 397 HA ALA 49 HA ALA 49 0.935 11.532 4.382 398 HB1 ALA 49 HB1 ALA 49 0.013 13.786 4.367 399 HB2 ALA 49 HB2 ALA 49 1.641 14.465 4.364 400 HB3 ALA 49 HB3 ALA 49 1.069 13.552 5.760 401 H THR 50 HN THR 50 3.234 13.483 2.544 402 HA THR 50 HA THR 50 1.820 13.659 0.134 403 HB THR 50 HB THR 50 4.823 13.417 0.466 404 HG1 THR 50 HG1 THR 50 3.704 15.134 1.712 405 HG21 THR 50 HG21 THR 50 4.954 14.678 -1.612 406 HG22 THR 50 HG22 THR 50 3.195 14.737 -1.708 407 HG23 THR 50 HG23 THR 50 4.033 13.194 -1.857 408 H LEU 51 HN LEU 51 4.028 11.205 1.378 409 HA LEU 51 HA LEU 51 4.062 9.511 -0.853 410 HB2 LEU 51 HB2 LEU 51 5.627 9.354 1.030 411 HB3 LEU 51 HB1 LEU 51 4.324 8.829 2.075 412 HG LEU 51 HG LEU 51 4.077 6.781 0.713 413 HD11 LEU 51 HD11 LEU 51 6.503 7.837 -0.732 414 HD12 LEU 51 HD12 LEU 51 4.889 7.621 -1.412 415 HD13 LEU 51 HD13 LEU 51 5.829 6.217 -0.909 416 HD21 LEU 51 HD21 LEU 51 5.469 6.761 2.705 417 HD22 LEU 51 HD22 LEU 51 6.856 7.300 1.759 418 HD23 LEU 51 HD23 LEU 51 6.148 5.712 1.461 419 H ILE 52 HN ILE 52 1.938 9.561 1.997 420 HA ILE 52 HA ILE 52 0.350 7.343 1.393 421 HB ILE 52 HB ILE 52 -0.601 9.912 2.671 422 HG12 ILE 52 HG12 ILE 52 1.372 9.072 3.837 423 HG13 ILE 52 HG11 ILE 52 -0.069 8.849 4.823 424 HG21 ILE 52 HG21 ILE 52 -1.665 7.101 2.859 425 HG22 ILE 52 HG22 ILE 52 -2.424 8.454 2.020 426 HG23 ILE 52 HG23 ILE 52 -2.261 8.486 3.776 427 HD11 ILE 52 HD11 ILE 52 1.361 6.919 4.964 428 HD12 ILE 52 HD12 ILE 52 1.334 6.737 3.211 429 HD13 ILE 52 HD13 ILE 52 -0.143 6.497 4.145 430 H SER 53 HN SER 53 0.000 10.728 0.455 431 HA SER 53 HA SER 53 -2.399 10.472 -0.978 432 HB2 SER 53 HB2 SER 53 -1.389 12.611 -0.162 433 HB3 SER 53 HB1 SER 53 -0.186 12.482 -1.441 434 HG SER 53 HG SER 53 -1.615 13.110 -2.858 435 H ASN 54 HN ASN 54 0.983 10.127 -1.962 436 HA ASN 54 HA ASN 54 0.520 9.883 -4.729 437 HB2 ASN 54 HB2 ASN 54 2.747 8.858 -2.974 438 HB3 ASN 54 HB1 ASN 54 2.725 8.597 -4.714 439 HD21 ASN 54 HD21 ASN 54 4.688 10.022 -3.253 440 HD22 ASN 54 HD22 ASN 54 4.676 11.651 -3.826 441 H LEU 55 HN LEU 55 0.699 7.423 -2.165 442 HA LEU 55 HA LEU 55 0.267 5.216 -3.879 443 HB2 LEU 55 HB2 LEU 55 0.081 5.659 -0.942 444 HB3 LEU 55 HB1 LEU 55 -0.691 4.234 -1.603 445 HG LEU 55 HG LEU 55 1.496 3.642 -0.804 446 HD11 LEU 55 HD11 LEU 55 1.565 3.760 -3.816 447 HD12 LEU 55 HD12 LEU 55 0.693 2.559 -2.865 448 HD13 LEU 55 HD13 LEU 55 2.451 2.644 -2.778 449 HD21 LEU 55 HD21 LEU 55 3.536 4.631 -1.778 450 HD22 LEU 55 HD22 LEU 55 2.582 5.789 -0.849 451 HD23 LEU 55 HD23 LEU 55 2.531 5.817 -2.612 452 H GLU 56 HN GLU 56 -1.900 7.471 -2.323 453 HA GLU 56 HA GLU 56 -4.306 6.071 -2.860 454 HB2 GLU 56 HB2 GLU 56 -4.301 7.898 -1.270 455 HB3 GLU 56 HB1 GLU 56 -3.771 9.027 -2.509 456 HG2 GLU 56 HG2 GLU 56 -5.872 8.771 -3.685 457 HG3 GLU 56 HG1 GLU 56 -6.403 7.570 -2.510 458 H ALA 57 HN ALA 57 -2.387 8.399 -4.695 459 HA ALA 57 HA ALA 57 -4.137 8.623 -6.900 460 HB1 ALA 57 HB1 ALA 57 -2.221 9.519 -8.104 461 HB2 ALA 57 HB2 ALA 57 -1.135 8.928 -6.847 462 HB3 ALA 57 HB3 ALA 57 -2.303 10.196 -6.478 463 H VAL 58 HN VAL 58 -1.732 6.267 -6.001 464 HA VAL 58 HA VAL 58 -1.656 4.952 -8.545 465 HB VAL 58 HB VAL 58 -0.772 3.951 -5.832 466 HG11 VAL 58 HG11 VAL 58 -1.204 2.142 -7.449 467 HG12 VAL 58 HG12 VAL 58 0.501 2.283 -7.034 468 HG13 VAL 58 HG13 VAL 58 -0.083 2.905 -8.577 469 HG21 VAL 58 HG21 VAL 58 0.431 5.951 -6.519 470 HG22 VAL 58 HG22 VAL 58 0.801 5.210 -8.077 471 HG23 VAL 58 HG23 VAL 58 1.481 4.536 -6.595 472 H TYR 59 HN TYR 59 -2.904 3.835 -5.369 473 HA TYR 59 HA TYR 59 -4.597 1.954 -6.866 474 HB2 TYR 59 HB2 TYR 59 -3.720 1.900 -3.975 475 HB3 TYR 59 HB1 TYR 59 -4.805 0.728 -4.712 476 HD1 TYR 59 HD1 TYR 59 -3.765 -0.248 -7.040 477 HD2 TYR 59 HD2 TYR 59 -1.551 1.210 -3.715 478 HE1 TYR 59 HE1 TYR 59 -1.830 -1.588 -7.749 479 HE2 TYR 59 HE2 TYR 59 0.391 -0.123 -4.414 480 HH TYR 59 HH TYR 59 0.751 -1.405 -7.404 481 H GLY 60 HN GLY 60 -4.732 4.101 -4.039 482 HA2 GLY 60 HA2 GLY 60 -6.462 5.485 -3.358 483 HA3 GLY 60 HA1 GLY 60 -7.399 4.936 -4.740 484 H THR 61 HN THR 61 -6.284 2.246 -3.225 485 HA THR 61 HA THR 61 -8.883 1.649 -2.154 486 HB THR 61 HB THR 61 -7.730 -0.566 -1.574 487 HG1 THR 61 HG1 THR 61 -5.698 -0.880 -2.287 488 HG21 THR 61 HG21 THR 61 -9.157 -0.292 -3.539 489 HG22 THR 61 HG22 THR 61 -7.780 -1.331 -3.907 490 HG23 THR 61 HG23 THR 61 -7.790 0.346 -4.453 491 H ASP 62 HN ASP 62 -8.618 0.187 -0.013 492 HA ASP 62 HA ASP 62 -8.295 0.091 2.222 493 HB2 ASP 62 HB2 ASP 62 -5.863 0.298 1.719 494 HB3 ASP 62 HB1 ASP 62 -6.019 2.048 1.850 495 HA PRO 63 HA PRO 63 -11.099 3.569 2.878 496 HB2 PRO 63 HB2 PRO 63 -11.527 1.967 5.346 497 HB3 PRO 63 HB1 PRO 63 -12.712 2.630 4.215 498 HG2 PRO 63 HG2 PRO 63 -12.151 0.024 4.233 499 HG3 PRO 63 HG1 PRO 63 -12.449 0.884 2.712 500 HD2 PRO 63 HD2 PRO 63 -9.864 -0.023 3.903 501 HD3 PRO 63 HD1 PRO 63 -10.376 0.012 2.202 502 H PHE 64 HN PHE 64 -10.175 5.385 3.554 503 HA PHE 64 HA PHE 64 -8.104 5.414 5.528 504 HB2 PHE 64 HB2 PHE 64 -9.514 7.657 4.076 505 HB3 PHE 64 HB1 PHE 64 -8.139 7.884 5.152 506 HD1 PHE 64 HD1 PHE 64 -5.930 6.959 4.540 507 HD2 PHE 64 HD2 PHE 64 -9.228 6.874 1.854 508 HE1 PHE 64 HE1 PHE 64 -4.389 6.539 2.667 509 HE2 PHE 64 HE2 PHE 64 -7.695 6.454 -0.025 510 HZ PHE 64 HZ PHE 64 -5.270 6.285 0.382 511 H ALA 65 HN ALA 65 -11.491 5.644 5.619 512 HA ALA 65 HA ALA 65 -11.815 7.126 8.004 513 HB1 ALA 65 HB1 ALA 65 -13.685 6.604 6.505 514 HB2 ALA 65 HB2 ALA 65 -14.007 6.048 8.147 515 HB3 ALA 65 HB3 ALA 65 -13.527 4.893 6.904 516 H ASP 66 HN ASP 66 -11.332 3.697 7.326 517 HA ASP 66 HA ASP 66 -11.259 2.977 10.113 518 HB2 ASP 66 HB2 ASP 66 -10.590 1.420 7.609 519 HB3 ASP 66 HB1 ASP 66 -10.550 0.738 9.230 520 H ALA 67 HN ALA 67 -8.997 3.752 7.581 521 HA ALA 67 HA ALA 67 -6.706 3.038 9.235 522 HB1 ALA 67 HB1 ALA 67 -5.365 3.565 7.270 523 HB2 ALA 67 HB2 ALA 67 -6.800 4.162 6.438 524 HB3 ALA 67 HB3 ALA 67 -6.672 2.455 6.857 525 H VAL 68 HN VAL 68 -8.495 5.227 9.998 526 HA VAL 68 HA VAL 68 -7.352 7.731 9.385 527 HB VAL 68 HB VAL 68 -9.659 7.424 10.261 528 HG11 VAL 68 HG11 VAL 68 -8.274 6.955 12.896 529 HG12 VAL 68 HG12 VAL 68 -9.248 5.791 11.997 530 HG13 VAL 68 HG13 VAL 68 -10.003 7.227 12.685 531 HG21 VAL 68 HG21 VAL 68 -7.925 9.314 11.844 532 HG22 VAL 68 HG22 VAL 68 -9.677 9.423 11.677 533 HG23 VAL 68 HG23 VAL 68 -8.642 9.626 10.263 534 H ALA 69 HN ALA 69 -6.507 5.291 11.713 535 HA ALA 69 HA ALA 69 -4.808 7.006 13.280 536 HB1 ALA 69 HB1 ALA 69 -4.073 4.948 14.368 537 HB2 ALA 69 HB2 ALA 69 -4.925 3.993 13.154 538 HB3 ALA 69 HB3 ALA 69 -5.834 5.015 14.267 539 H ILE 70 HN ILE 70 -3.729 7.896 11.352 540 HA ILE 70 HA ILE 70 -2.174 6.366 9.594 541 HB ILE 70 HB ILE 70 -2.899 8.704 9.182 542 HG12 ILE 70 HG12 ILE 70 -0.774 9.469 8.116 543 HG13 ILE 70 HG11 ILE 70 0.073 8.177 8.963 544 HG21 ILE 70 HG21 ILE 70 -0.713 9.410 11.131 545 HG22 ILE 70 HG22 ILE 70 -2.444 9.660 11.359 546 HG23 ILE 70 HG23 ILE 70 -1.581 10.555 10.108 547 HD11 ILE 70 HD11 ILE 70 -1.249 6.518 7.775 548 HD12 ILE 70 HD12 ILE 70 -0.408 7.584 6.653 549 HD13 ILE 70 HD13 ILE 70 -2.132 7.803 6.950 550 H THR 71 HN THR 71 -1.593 7.266 12.843 551 HA THR 71 HA THR 71 1.241 7.293 12.808 552 HB THR 71 HB THR 71 0.678 6.647 15.369 553 HG1 THR 71 HG1 THR 71 -1.411 6.717 15.671 554 HG21 THR 71 HG21 THR 71 0.580 9.075 15.790 555 HG22 THR 71 HG22 THR 71 0.332 9.349 14.066 556 HG23 THR 71 HG23 THR 71 1.846 8.650 14.638 557 H SER 72 HN SER 72 -0.892 4.761 12.346 558 HA SER 72 HA SER 72 0.654 2.686 13.593 559 HB2 SER 72 HB2 SER 72 -0.815 1.164 12.280 560 HB3 SER 72 HB1 SER 72 -1.731 2.352 13.203 561 HG SER 72 HG SER 72 -2.355 3.312 11.404 562 H ILE 73 HN ILE 73 0.831 4.507 10.711 563 HA ILE 73 HA ILE 73 2.418 2.599 9.232 564 HB ILE 73 HB ILE 73 1.918 5.539 8.701 565 HG12 ILE 73 HG12 ILE 73 -0.148 4.200 8.658 566 HG13 ILE 73 HG11 ILE 73 0.278 4.781 7.052 567 HG21 ILE 73 HG21 ILE 73 3.930 4.771 7.594 568 HG22 ILE 73 HG22 ILE 73 2.652 5.034 6.409 569 HG23 ILE 73 HG23 ILE 73 3.062 3.395 6.915 570 HD11 ILE 73 HD11 ILE 73 -0.476 2.522 6.891 571 HD12 ILE 73 HD12 ILE 73 0.659 2.003 8.132 572 HD13 ILE 73 HD13 ILE 73 1.255 2.557 6.568 573 H VAL 74 HN VAL 74 4.167 2.177 10.586 574 HA VAL 74 HA VAL 74 5.914 4.439 11.262 575 HB VAL 74 HB VAL 74 6.126 1.577 12.210 576 HG11 VAL 74 HG11 VAL 74 8.231 2.773 12.318 577 HG12 VAL 74 HG12 VAL 74 7.588 2.540 13.943 578 HG13 VAL 74 HG13 VAL 74 7.454 4.113 13.159 579 HG21 VAL 74 HG21 VAL 74 4.036 2.567 12.984 580 HG22 VAL 74 HG22 VAL 74 4.917 3.964 13.603 581 HG23 VAL 74 HG23 VAL 74 5.170 2.375 14.324 582 H THR 75 HN THR 75 6.089 1.141 9.954 583 HA THR 75 HA THR 75 8.617 1.860 8.640 584 HB THR 75 HB THR 75 8.914 -0.609 8.349 585 HG1 THR 75 HG1 THR 75 6.466 -0.594 9.781 586 HG21 THR 75 HG21 THR 75 9.516 -1.052 10.682 587 HG22 THR 75 HG22 THR 75 8.559 0.337 11.194 588 HG23 THR 75 HG23 THR 75 9.994 0.576 10.198 589 H VAL 76 HN VAL 76 8.954 0.748 6.474 590 HA VAL 76 HA VAL 76 6.993 1.605 4.669 591 HB VAL 76 HB VAL 76 9.203 -0.412 4.227 592 HG11 VAL 76 HG11 VAL 76 8.969 0.129 1.848 593 HG12 VAL 76 HG12 VAL 76 7.579 1.146 2.217 594 HG13 VAL 76 HG13 VAL 76 7.496 -0.594 2.493 595 HG21 VAL 76 HG21 VAL 76 10.424 1.497 3.282 596 HG22 VAL 76 HG22 VAL 76 10.027 1.752 4.981 597 HG23 VAL 76 HG23 VAL 76 9.090 2.564 3.726 598 H ALA 77 HN ALA 77 7.657 -1.574 6.039 599 HA ALA 77 HA ALA 77 5.940 -3.167 4.584 600 HB1 ALA 77 HB1 ALA 77 6.493 -3.364 7.539 601 HB2 ALA 77 HB2 ALA 77 7.525 -4.001 6.261 602 HB3 ALA 77 HB3 ALA 77 5.906 -4.658 6.495 603 H ASP 78 HN ASP 78 5.172 -0.982 7.244 604 HA ASP 78 HA ASP 78 2.556 -1.926 7.724 605 HB2 ASP 78 HB2 ASP 78 3.709 0.830 8.208 606 HB3 ASP 78 HB1 ASP 78 2.184 0.240 8.859 607 H LEU 79 HN LEU 79 3.811 0.638 5.647 608 HA LEU 79 HA LEU 79 1.238 1.448 4.703 609 HB2 LEU 79 HB2 LEU 79 3.178 2.955 4.696 610 HB3 LEU 79 HB1 LEU 79 3.985 1.913 3.540 611 HG LEU 79 HG LEU 79 2.200 2.405 1.891 612 HD11 LEU 79 HD11 LEU 79 0.707 4.325 2.354 613 HD12 LEU 79 HD12 LEU 79 1.243 4.294 4.033 614 HD13 LEU 79 HD13 LEU 79 0.371 2.917 3.359 615 HD21 LEU 79 HD21 LEU 79 3.584 4.829 3.032 616 HD22 LEU 79 HD22 LEU 79 2.912 4.688 1.407 617 HD23 LEU 79 HD23 LEU 79 4.278 3.682 1.886 618 H ALA 80 HN ALA 80 3.792 -0.671 3.548 619 HA ALA 80 HA ALA 80 2.749 -1.231 1.009 620 HB1 ALA 80 HB1 ALA 80 5.039 -1.767 1.656 621 HB2 ALA 80 HB2 ALA 80 4.201 -3.192 1.040 622 HB3 ALA 80 HB3 ALA 80 4.440 -2.991 2.775 623 H ARG 81 HN ARG 81 2.299 -2.902 4.122 624 HA ARG 81 HA ARG 81 0.750 -5.039 3.237 625 HB2 ARG 81 HB2 ARG 81 0.716 -3.550 5.857 626 HB3 ARG 81 HB1 ARG 81 -0.257 -4.984 5.570 627 HG2 ARG 81 HG2 ARG 81 1.789 -6.268 5.132 628 HG3 ARG 81 HG1 ARG 81 2.748 -4.826 5.478 629 HD2 ARG 81 HD2 ARG 81 0.839 -6.137 7.409 630 HD3 ARG 81 HD1 ARG 81 2.580 -6.377 7.403 631 HE ARG 81 HE ARG 81 2.856 -4.110 8.094 632 HH11 ARG 81 HH11 ARG 81 -0.475 -5.175 8.033 633 HH12 ARG 81 HH12 ARG 81 -1.011 -3.990 9.177 634 HH21 ARG 81 HH21 ARG 81 2.157 -2.550 9.636 635 HH22 ARG 81 HH22 ARG 81 0.477 -2.495 10.074 636 H ALA 82 HN ALA 82 -0.205 -1.745 4.020 637 HA ALA 82 HA ALA 82 -2.968 -2.101 4.134 638 HB1 ALA 82 HB1 ALA 82 -3.138 0.293 3.736 639 HB2 ALA 82 HB2 ALA 82 -1.463 0.334 3.190 640 HB3 ALA 82 HB3 ALA 82 -1.833 -0.060 4.869 641 H TYR 83 HN TYR 83 -1.050 -0.920 1.364 642 HA TYR 83 HA TYR 83 -3.361 -1.114 -0.340 643 HB2 TYR 83 HB2 TYR 83 -0.508 -0.319 -0.913 644 HB3 TYR 83 HB1 TYR 83 -1.799 -0.293 -2.113 645 HD1 TYR 83 HD1 TYR 83 -0.219 1.473 0.579 646 HD2 TYR 83 HD2 TYR 83 -3.813 1.189 -1.676 647 HE1 TYR 83 HE1 TYR 83 -0.848 3.734 1.313 648 HE2 TYR 83 HE2 TYR 83 -4.453 3.446 -0.947 649 HH TYR 83 HH TYR 83 -3.974 4.987 0.920 650 H ALA 84 HN ALA 84 -0.956 -3.278 0.613 651 HA ALA 84 HA ALA 84 -1.038 -4.921 -1.742 652 HB1 ALA 84 HB1 ALA 84 0.067 -6.611 -0.372 653 HB2 ALA 84 HB2 ALA 84 -0.222 -5.645 1.073 654 HB3 ALA 84 HB3 ALA 84 0.854 -5.046 -0.186 655 H GLN 85 HN GLN 85 -2.503 -5.059 1.489 656 HA GLN 85 HA GLN 85 -4.075 -7.369 0.922 657 HB2 GLN 85 HB2 GLN 85 -3.376 -6.712 3.205 658 HB3 GLN 85 HB1 GLN 85 -4.423 -5.303 3.102 659 HG2 GLN 85 HG2 GLN 85 -6.326 -6.931 2.715 660 HG3 GLN 85 HG1 GLN 85 -5.202 -8.196 3.213 661 HE21 GLN 85 HE21 GLN 85 -7.071 -5.467 4.209 662 HE22 GLN 85 HE22 GLN 85 -6.886 -5.694 5.913 663 H GLN 86 HN GLN 86 -4.707 -3.889 0.955 664 HA GLN 86 HA GLN 86 -7.486 -4.315 0.240 665 HB2 GLN 86 HB2 GLN 86 -5.958 -1.718 0.420 666 HB3 GLN 86 HB1 GLN 86 -7.703 -1.911 0.366 667 HG2 GLN 86 HG2 GLN 86 -5.949 -2.939 2.582 668 HG3 GLN 86 HG1 GLN 86 -6.794 -1.396 2.616 669 HE21 GLN 86 HE21 GLN 86 -8.005 -1.902 4.372 670 HE22 GLN 86 HE22 GLN 86 -9.283 -3.071 4.347 671 H GLY 87 HN GLY 87 -7.925 -4.850 -1.775 672 HA2 GLY 87 HA2 GLY 87 -7.998 -3.759 -4.056 673 HA3 GLY 87 HA1 GLY 87 -6.246 -3.722 -3.922 674 H VAL 88 HN VAL 88 -6.576 -6.413 -2.436 675 HA VAL 88 HA VAL 88 -6.667 -8.053 -4.864 676 HB VAL 88 HB VAL 88 -5.605 -9.826 -3.544 677 HG11 VAL 88 HG11 VAL 88 -4.189 -7.178 -3.308 678 HG12 VAL 88 HG12 VAL 88 -4.178 -8.248 -4.709 679 HG13 VAL 88 HG13 VAL 88 -3.425 -8.763 -3.201 680 HG21 VAL 88 HG21 VAL 88 -5.628 -7.837 -1.276 681 HG22 VAL 88 HG22 VAL 88 -4.800 -9.393 -1.268 682 HG23 VAL 88 HG23 VAL 88 -6.560 -9.331 -1.361 683 HA PRO 89 HA PRO 89 -10.589 -9.777 -3.783 684 HB2 PRO 89 HB2 PRO 89 -10.272 -12.296 -4.817 685 HB3 PRO 89 HB1 PRO 89 -10.659 -10.872 -5.787 686 HG2 PRO 89 HG2 PRO 89 -8.026 -12.213 -5.349 687 HG3 PRO 89 HG1 PRO 89 -8.698 -11.518 -6.835 688 HD2 PRO 89 HD2 PRO 89 -6.852 -10.232 -5.347 689 HD3 PRO 89 HD1 PRO 89 -8.113 -9.366 -6.243 690 H GLY 90 HN GLY 90 -10.871 -10.113 -1.659 691 HA2 GLY 90 HA2 GLY 90 -10.599 -12.586 -0.445 692 HA3 GLY 90 HA1 GLY 90 -9.138 -11.690 -0.053 693 HA PRO 91 HA PRO 91 -11.186 -9.602 3.237 694 HB2 PRO 91 HB2 PRO 91 -10.334 -6.956 2.261 695 HB3 PRO 91 HB1 PRO 91 -9.901 -7.791 3.756 696 HG2 PRO 91 HG2 PRO 91 -8.141 -7.477 1.751 697 HG3 PRO 91 HG1 PRO 91 -8.150 -8.927 2.772 698 HD2 PRO 91 HD2 PRO 91 -9.230 -8.545 0.004 699 HD3 PRO 91 HD1 PRO 91 -8.354 -9.930 0.692 700 H SER 92 HN SER 92 -13.322 -9.415 3.291 701 HA SER 92 HA SER 92 -14.764 -8.095 1.169 702 HB2 SER 92 HB2 SER 92 -15.645 -10.178 2.163 703 HB3 SER 92 HB1 SER 92 -15.779 -9.370 3.725 704 HG SER 92 HG SER 92 -17.417 -9.239 1.524 705 HA PRO 93 HA PRO 93 -14.761 -4.187 3.351 706 HB2 PRO 93 HB2 PRO 93 -16.375 -2.870 1.619 707 HB3 PRO 93 HB1 PRO 93 -14.671 -3.192 1.280 708 HG2 PRO 93 HG2 PRO 93 -17.102 -4.652 0.333 709 HG3 PRO 93 HG1 PRO 93 -15.650 -4.192 -0.574 710 HD2 PRO 93 HD2 PRO 93 -16.048 -6.695 0.381 711 HD3 PRO 93 HD1 PRO 93 -14.434 -5.976 0.226 712 H ASP 94 HN ASP 94 -17.350 -6.294 2.760 713 HA ASP 94 HA ASP 94 -18.968 -4.900 4.786 714 HB2 ASP 94 HB2 ASP 94 -19.929 -6.375 2.328 715 HB3 ASP 94 HB1 ASP 94 -20.980 -5.959 3.675 716 HA PRO 95 HA PRO 95 -17.502 -9.088 6.168 717 HB2 PRO 95 HB2 PRO 95 -17.394 -8.354 8.822 718 HB3 PRO 95 HB1 PRO 95 -16.043 -8.243 7.692 719 HG2 PRO 95 HG2 PRO 95 -17.925 -6.118 8.614 720 HG3 PRO 95 HG1 PRO 95 -16.182 -6.019 8.306 721 HD2 PRO 95 HD2 PRO 95 -17.997 -5.066 6.564 722 HD3 PRO 95 HD1 PRO 95 -16.471 -5.794 6.026 723 H LEU 96 HN LEU 96 -19.933 -7.013 7.631 724 HA LEU 96 HA LEU 96 -21.321 -9.066 8.999 725 HB2 LEU 96 HB2 LEU 96 -22.167 -6.318 8.100 726 HB3 LEU 96 HB1 LEU 96 -23.253 -7.396 8.949 727 HG LEU 96 HG LEU 96 -21.534 -7.438 10.824 728 HD11 LEU 96 HD11 LEU 96 -20.033 -5.493 10.942 729 HD12 LEU 96 HD12 LEU 96 -20.454 -5.091 9.278 730 HD13 LEU 96 HD13 LEU 96 -19.613 -6.599 9.635 731 HD21 LEU 96 HD21 LEU 96 -22.309 -5.301 11.738 732 HD22 LEU 96 HD22 LEU 96 -23.619 -6.212 10.986 733 HD23 LEU 96 HD23 LEU 96 -22.900 -4.842 10.142 734 H ASP 97 HN ASP 97 -21.850 -7.477 5.886 735 HA ASP 97 HA ASP 97 -24.123 -8.942 5.125 736 HB2 ASP 97 HB2 ASP 97 -22.010 -7.618 3.414 737 HB3 ASP 97 HB1 ASP 97 -23.549 -8.219 2.814 738 H ALA 98 HN ALA 98 -20.673 -9.512 4.695 739 HA ALA 98 HA ALA 98 -20.849 -11.741 2.992 740 HB1 ALA 98 HB1 ALA 98 -18.771 -10.503 3.377 741 HB2 ALA 98 HB2 ALA 98 -18.563 -12.229 3.676 742 HB3 ALA 98 HB3 ALA 98 -18.719 -11.112 5.032 743 H GLN 99 HN GLN 99 -21.013 -11.437 6.485 744 HA GLN 99 HA GLN 99 -20.901 -14.186 7.099 745 HB2 GLN 99 HB2 GLN 99 -22.039 -11.814 8.557 746 HB3 GLN 99 HB1 GLN 99 -22.161 -13.442 9.210 747 HG2 GLN 99 HG2 GLN 99 -19.592 -12.039 8.508 748 HG3 GLN 99 HG1 GLN 99 -20.266 -12.191 10.131 749 HE21 GLN 99 HE21 GLN 99 -18.664 -13.826 7.529 750 HE22 GLN 99 HE22 GLN 99 -18.293 -15.277 8.396 751 H LEU 100 HN LEU 100 -23.753 -12.034 6.940 752 HA LEU 100 HA LEU 100 -25.572 -14.190 7.217 753 HB2 LEU 100 HB2 LEU 100 -27.301 -12.497 6.576 754 HB3 LEU 100 HB1 LEU 100 -26.301 -12.070 7.946 755 HG LEU 100 HG LEU 100 -24.913 -10.721 6.209 756 HD11 LEU 100 HD11 LEU 100 -25.998 -11.596 4.210 757 HD12 LEU 100 HD12 LEU 100 -26.231 -9.853 4.350 758 HD13 LEU 100 HD13 LEU 100 -27.545 -10.954 4.761 759 HD21 LEU 100 HD21 LEU 100 -26.176 -9.726 8.020 760 HD22 LEU 100 HD22 LEU 100 -27.666 -9.868 7.086 761 HD23 LEU 100 HD23 LEU 100 -26.382 -8.787 6.543 762 H ARG 101 HN ARG 101 -23.870 -12.989 4.528 763 HA ARG 101 HA ARG 101 -25.638 -13.832 2.466 764 HB2 ARG 101 HB2 ARG 101 -23.857 -12.232 2.022 765 HB3 ARG 101 HB1 ARG 101 -22.641 -13.418 2.475 766 HG2 ARG 101 HG2 ARG 101 -23.314 -14.807 0.561 767 HG3 ARG 101 HG1 ARG 101 -24.476 -13.564 0.092 768 HD2 ARG 101 HD2 ARG 101 -22.456 -13.325 -1.213 769 HD3 ARG 101 HD1 ARG 101 -22.629 -11.950 -0.125 770 HE ARG 101 HE ARG 101 -20.973 -14.135 0.853 771 HH11 ARG 101 HH11 ARG 101 -21.106 -11.018 -0.748 772 HH12 ARG 101 HH12 ARG 101 -19.430 -10.661 -0.476 773 HH21 ARG 101 HH21 ARG 101 -18.759 -13.659 1.213 774 HH22 ARG 101 HH22 ARG 101 -18.093 -12.166 0.630 775 H ASP 102 HN ASP 102 -22.680 -15.288 3.809 776 HA ASP 102 HA ASP 102 -23.172 -17.722 2.307 777 HB2 ASP 102 HB2 ASP 102 -20.882 -16.819 4.047 778 HB3 ASP 102 HB1 ASP 102 -20.957 -18.418 3.315 779 H LEU 103 HN LEU 103 -23.505 -16.562 5.554 780 HA LEU 103 HA LEU 103 -24.095 -19.274 6.498 781 HB2 LEU 103 HB2 LEU 103 -22.637 -17.886 7.909 782 HB3 LEU 103 HB1 LEU 103 -23.891 -16.667 8.017 783 HG LEU 103 HG LEU 103 -25.327 -18.268 9.229 784 HD11 LEU 103 HD11 LEU 103 -24.355 -20.352 10.071 785 HD12 LEU 103 HD12 LEU 103 -22.911 -20.063 9.101 786 HD13 LEU 103 HD13 LEU 103 -24.464 -20.339 8.312 787 HD21 LEU 103 HD21 LEU 103 -23.912 -16.726 10.472 788 HD22 LEU 103 HD22 LEU 103 -22.585 -17.886 10.424 789 HD23 LEU 103 HD23 LEU 103 -24.057 -18.265 11.320 790 H ARG 104 HN ARG 104 -25.974 -19.255 5.034 791 HA ARG 104 HA ARG 104 -28.164 -17.513 5.836 792 HB2 ARG 104 HB2 ARG 104 -27.706 -17.879 3.439 793 HB3 ARG 104 HB1 ARG 104 -28.026 -19.594 3.651 794 HG2 ARG 104 HG2 ARG 104 -30.323 -19.184 4.127 795 HG3 ARG 104 HG1 ARG 104 -30.051 -17.441 4.205 796 HD2 ARG 104 HD2 ARG 104 -29.717 -19.174 1.757 797 HD3 ARG 104 HD1 ARG 104 -31.075 -18.094 2.079 798 HE ARG 104 HE ARG 104 -29.040 -16.391 2.228 799 HH11 ARG 104 HH11 ARG 104 -29.733 -18.871 -0.139 800 HH12 ARG 104 HH12 ARG 104 -28.932 -18.037 -1.432 801 HH21 ARG 104 HH21 ARG 104 -27.976 -15.296 0.542 802 HH22 ARG 104 HH22 ARG 104 -27.931 -16.004 -1.044 803 H GLN 105 HN GLN 105 -29.778 -18.120 7.104 804 HA GLN 105 HA GLN 105 -29.710 -20.743 8.316 805 HB2 GLN 105 HB2 GLN 105 -31.624 -18.449 8.789 806 HB3 GLN 105 HB1 GLN 105 -31.403 -19.856 9.819 807 HG2 GLN 105 HG2 GLN 105 -29.183 -19.159 10.395 808 HG3 GLN 105 HG1 GLN 105 -29.255 -17.832 9.239 809 HE21 GLN 105 HE21 GLN 105 -28.871 -16.277 10.794 810 HE22 GLN 105 HE22 GLN 105 -30.054 -15.833 11.975 811 H LEU 106 HN LEU 106 -30.874 -22.422 7.619 812 HA LEU 106 HA LEU 106 -33.362 -21.918 6.155 813 HB2 LEU 106 HB2 LEU 106 -31.597 -22.248 4.495 814 HB3 LEU 106 HB1 LEU 106 -31.147 -23.762 5.254 815 HG LEU 106 HG LEU 106 -33.364 -24.690 4.667 816 HD11 LEU 106 HD11 LEU 106 -34.651 -22.640 4.589 817 HD12 LEU 106 HD12 LEU 106 -34.756 -23.484 3.044 818 HD13 LEU 106 HD13 LEU 106 -33.709 -22.076 3.209 819 HD21 LEU 106 HD21 LEU 106 -32.930 -24.904 2.266 820 HD22 LEU 106 HD22 LEU 106 -31.454 -25.080 3.216 821 HD23 LEU 106 HD23 LEU 106 -31.778 -23.572 2.360 Start of MODEL 19 1 H GLY -4 HT1 GLY -4 5.450 -25.255 -11.134 2 HA2 GLY -4 HA1 GLY -4 4.422 -23.192 -12.998 3 HA3 GLY -4 HA2 GLY -4 3.458 -24.044 -11.800 4 H ILE -3 HN ILE -3 2.936 -22.058 -10.778 5 HA ILE -3 HA ILE -3 5.176 -20.829 -9.316 6 HB ILE -3 HB ILE -3 3.710 -18.899 -8.931 7 HG12 ILE -3 HG12 ILE -3 1.752 -20.317 -10.750 8 HG13 ILE -3 HG11 ILE -3 1.552 -20.120 -9.013 9 HG21 ILE -3 HG21 ILE -3 3.977 -19.692 -11.823 10 HG22 ILE -3 HG22 ILE -3 5.182 -18.858 -10.842 11 HG23 ILE -3 HG23 ILE -3 3.664 -18.056 -11.245 12 HD11 ILE -3 HD11 ILE -3 0.219 -18.511 -10.238 13 HD12 ILE -3 HD12 ILE -3 1.665 -17.905 -11.048 14 HD13 ILE -3 HD13 ILE -3 1.477 -17.696 -9.307 15 H ASP -2 HN ASP -2 4.933 -20.422 -7.066 16 HA ASP -2 HA ASP -2 2.897 -22.082 -5.772 17 HB2 ASP -2 HB2 ASP -2 4.392 -22.285 -3.909 18 HB3 ASP -2 HB1 ASP -2 5.301 -22.663 -5.361 19 HA PRO -1 HA PRO -1 0.922 -18.559 -4.214 20 HB2 PRO -1 HB2 PRO -1 0.272 -19.822 -1.683 21 HB3 PRO -1 HB1 PRO -1 -0.771 -19.518 -3.072 22 HG2 PRO -1 HG2 PRO -1 0.002 -22.010 -2.321 23 HG3 PRO -1 HG1 PRO -1 -0.356 -21.571 -4.000 24 HD2 PRO -1 HD2 PRO -1 2.295 -21.844 -2.634 25 HD3 PRO -1 HD1 PRO -1 1.800 -22.379 -4.255 26 H PHE 0 HN PHE 0 3.697 -19.604 -2.586 27 HA PHE 0 HA PHE 0 3.536 -17.547 -0.529 28 HB2 PHE 0 HB2 PHE 0 4.537 -19.737 0.036 29 HB3 PHE 0 HB1 PHE 0 5.787 -19.464 -1.172 30 HD1 PHE 0 HD1 PHE 0 4.378 -18.098 1.977 31 HD2 PHE 0 HD2 PHE 0 7.738 -18.323 -0.625 32 HE1 PHE 0 HE1 PHE 0 5.758 -16.963 3.667 33 HE2 PHE 0 HE2 PHE 0 9.125 -17.189 1.061 34 HZ PHE 0 HZ PHE 0 8.123 -16.485 3.204 35 H THR 1 HN THR 1 5.661 -18.389 -3.268 36 HA THR 1 HA THR 1 7.050 -15.916 -3.243 37 HB THR 1 HB THR 1 7.767 -16.508 -5.541 38 HG1 THR 1 HG1 THR 1 6.635 -19.015 -5.496 39 HG21 THR 1 HG21 THR 1 8.963 -17.425 -3.606 40 HG22 THR 1 HG22 THR 1 8.962 -18.558 -4.957 41 HG23 THR 1 HG23 THR 1 7.875 -18.814 -3.593 42 H LEU 2 HN LEU 2 4.068 -17.009 -4.693 43 HA LEU 2 HA LEU 2 3.605 -14.881 -6.452 44 HB2 LEU 2 HB2 LEU 2 2.284 -16.947 -6.431 45 HB3 LEU 2 HB1 LEU 2 1.612 -16.505 -4.874 46 HG LEU 2 HG LEU 2 0.545 -14.531 -5.922 47 HD11 LEU 2 HD11 LEU 2 1.614 -15.735 -8.469 48 HD12 LEU 2 HD12 LEU 2 2.050 -14.174 -7.776 49 HD13 LEU 2 HD13 LEU 2 0.418 -14.445 -8.384 50 HD21 LEU 2 HD21 LEU 2 -1.186 -15.779 -7.103 51 HD22 LEU 2 HD22 LEU 2 -0.689 -16.617 -5.635 52 HD23 LEU 2 HD23 LEU 2 -0.118 -17.176 -7.206 53 H ASN 3 HN ASN 3 2.891 -15.245 -2.997 54 HA ASN 3 HA ASN 3 1.564 -12.735 -2.756 55 HB2 ASN 3 HB2 ASN 3 1.464 -14.720 -1.116 56 HB3 ASN 3 HB1 ASN 3 3.001 -14.124 -0.497 57 HD21 ASN 3 HD21 ASN 3 2.226 -13.551 1.509 58 HD22 ASN 3 HD22 ASN 3 1.113 -12.249 1.755 59 H HIS 4 HN HIS 4 4.871 -13.833 -2.517 60 HA HIS 4 HA HIS 4 6.008 -11.453 -1.506 61 HB2 HIS 4 HB2 HIS 4 7.177 -13.659 -1.585 62 HB3 HIS 4 HB1 HIS 4 7.293 -13.498 -3.333 63 HD1 HIS 4 HD1 HIS 4 9.452 -12.581 -4.115 64 HD2 HIS 4 HD2 HIS 4 8.546 -11.329 -0.254 65 HE1 HIS 4 HE1 HIS 4 11.423 -11.216 -3.364 66 HE2 HIS 4 HE2 HIS 4 10.780 -10.342 -1.094 67 H GLN 5 HN GLN 5 5.155 -12.556 -4.726 68 HA GLN 5 HA GLN 5 6.299 -10.415 -6.172 69 HB2 GLN 5 HB2 GLN 5 5.661 -12.419 -7.332 70 HB3 GLN 5 HB1 GLN 5 3.996 -12.265 -6.793 71 HG2 GLN 5 HG2 GLN 5 3.695 -10.299 -8.170 72 HG3 GLN 5 HG1 GLN 5 5.388 -10.355 -8.658 73 HE21 GLN 5 HE21 GLN 5 2.913 -10.511 -10.240 74 HE22 GLN 5 HE22 GLN 5 3.017 -11.988 -11.133 75 H VAL 6 HN VAL 6 3.033 -10.929 -4.856 76 HA VAL 6 HA VAL 6 1.877 -8.526 -5.691 77 HB VAL 6 HB VAL 6 1.340 -9.998 -3.101 78 HG11 VAL 6 HG11 VAL 6 -0.381 -8.066 -4.653 79 HG12 VAL 6 HG12 VAL 6 0.400 -7.753 -3.103 80 HG13 VAL 6 HG13 VAL 6 -0.878 -8.964 -3.218 81 HG21 VAL 6 HG21 VAL 6 1.116 -11.483 -5.009 82 HG22 VAL 6 HG22 VAL 6 0.069 -10.316 -5.816 83 HG23 VAL 6 HG23 VAL 6 -0.471 -11.106 -4.336 84 H MET 7 HN MET 7 3.602 -9.292 -2.685 85 HA MET 7 HA MET 7 3.479 -6.692 -1.589 86 HB2 MET 7 HB2 MET 7 4.017 -8.819 -0.345 87 HB3 MET 7 HB1 MET 7 5.619 -8.762 -1.068 88 HG2 MET 7 HG2 MET 7 5.719 -7.864 1.151 89 HG3 MET 7 HG1 MET 7 5.983 -6.563 -0.010 90 HE1 MET 7 HE1 MET 7 5.517 -4.721 1.836 91 HE2 MET 7 HE2 MET 7 5.306 -6.005 3.026 92 HE3 MET 7 HE3 MET 7 4.098 -4.727 2.884 93 H ASP 8 HN ASP 8 5.655 -8.238 -3.836 94 HA ASP 8 HA ASP 8 7.756 -6.352 -3.778 95 HB2 ASP 8 HB2 ASP 8 7.990 -8.575 -4.799 96 HB3 ASP 8 HB1 ASP 8 6.820 -8.138 -6.038 97 H GLN 9 HN GLN 9 4.762 -6.573 -5.592 98 HA GLN 9 HA GLN 9 5.243 -4.493 -7.421 99 HB2 GLN 9 HB2 GLN 9 2.618 -5.499 -6.319 100 HB3 GLN 9 HB1 GLN 9 2.801 -4.485 -7.742 101 HG2 GLN 9 HG2 GLN 9 3.897 -7.267 -7.421 102 HG3 GLN 9 HG1 GLN 9 2.445 -6.829 -8.318 103 HE21 GLN 9 HE21 GLN 9 3.545 -4.407 -9.425 104 HE22 GLN 9 HE22 GLN 9 4.688 -4.891 -10.630 105 H VAL 10 HN VAL 10 3.629 -4.480 -4.246 106 HA VAL 10 HA VAL 10 3.107 -1.666 -4.382 107 HB VAL 10 HB VAL 10 1.666 -3.123 -3.041 108 HG11 VAL 10 HG11 VAL 10 4.047 -3.455 -1.227 109 HG12 VAL 10 HG12 VAL 10 3.314 -4.707 -2.228 110 HG13 VAL 10 HG13 VAL 10 2.407 -4.007 -0.887 111 HG21 VAL 10 HG21 VAL 10 3.117 -1.040 -1.417 112 HG22 VAL 10 HG22 VAL 10 1.543 -1.730 -1.020 113 HG23 VAL 10 HG23 VAL 10 1.740 -0.770 -2.487 114 H PHE 11 HN PHE 11 5.658 -3.679 -3.050 115 HA PHE 11 HA PHE 11 7.005 -1.675 -1.584 116 HB2 PHE 11 HB2 PHE 11 7.460 -4.077 -1.299 117 HB3 PHE 11 HB1 PHE 11 8.123 -4.149 -2.927 118 HD1 PHE 11 HD1 PHE 11 8.596 -2.214 0.229 119 HD2 PHE 11 HD2 PHE 11 10.404 -4.085 -3.137 120 HE1 PHE 11 HE1 PHE 11 10.817 -1.653 1.117 121 HE2 PHE 11 HE2 PHE 11 12.634 -3.528 -2.252 122 HZ PHE 11 HZ PHE 11 12.848 -2.342 -0.119 123 H ASP 12 HN ASP 12 7.228 -2.748 -4.938 124 HA ASP 12 HA ASP 12 9.348 -1.073 -5.736 125 HB2 ASP 12 HB2 ASP 12 8.616 -2.925 -7.133 126 HB3 ASP 12 HB1 ASP 12 7.026 -2.196 -7.324 127 H GLN 13 HN GLN 13 5.880 -0.561 -5.482 128 HA GLN 13 HA GLN 13 5.905 1.930 -6.872 129 HB2 GLN 13 HB2 GLN 13 3.915 0.424 -6.690 130 HB3 GLN 13 HB1 GLN 13 3.777 0.891 -5.001 131 HG2 GLN 13 HG2 GLN 13 2.252 2.112 -6.527 132 HG3 GLN 13 HG1 GLN 13 3.316 3.155 -5.587 133 HE21 GLN 13 HE21 GLN 13 2.662 1.835 -8.756 134 HE22 GLN 13 HE22 GLN 13 3.624 2.973 -9.640 135 H VAL 14 HN VAL 14 5.800 1.040 -3.409 136 HA VAL 14 HA VAL 14 5.706 3.719 -2.501 137 HB VAL 14 HB VAL 14 6.486 2.885 -0.316 138 HG11 VAL 14 HG11 VAL 14 4.596 1.405 0.140 139 HG12 VAL 14 HG12 VAL 14 4.362 1.173 -1.593 140 HG13 VAL 14 HG13 VAL 14 4.128 2.768 -0.876 141 HG21 VAL 14 HG21 VAL 14 6.817 0.459 0.011 142 HG22 VAL 14 HG22 VAL 14 8.069 1.202 -0.986 143 HG23 VAL 14 HG23 VAL 14 6.790 0.251 -1.740 144 H GLU 15 HN GLU 15 8.387 1.530 -3.214 145 HA GLU 15 HA GLU 15 10.517 3.200 -2.511 146 HB2 GLU 15 HB2 GLU 15 10.883 0.886 -3.107 147 HB3 GLU 15 HB1 GLU 15 10.246 1.153 -4.720 148 HG2 GLU 15 HG2 GLU 15 12.140 2.622 -5.220 149 HG3 GLU 15 HG1 GLU 15 12.785 2.323 -3.606 150 H HIS 16 HN HIS 16 8.771 2.842 -5.556 151 HA HIS 16 HA HIS 16 10.112 4.721 -7.092 152 HB2 HIS 16 HB2 HIS 16 8.477 3.131 -7.995 153 HB3 HIS 16 HB1 HIS 16 7.179 3.974 -7.162 154 HD1 HIS 16 HD1 HIS 16 5.879 5.363 -8.719 155 HD2 HIS 16 HD2 HIS 16 9.892 5.189 -9.787 156 HE1 HIS 16 HE1 HIS 16 6.099 6.794 -10.771 157 HE2 HIS 16 HE2 HIS 16 8.479 6.476 -11.524 158 H GLN 17 HN GLN 17 7.245 5.170 -5.030 159 HA GLN 17 HA GLN 17 6.948 7.920 -5.621 160 HB2 GLN 17 HB2 GLN 17 5.971 6.336 -3.241 161 HB3 GLN 17 HB1 GLN 17 5.453 7.968 -3.644 162 HG2 GLN 17 HG2 GLN 17 5.032 5.496 -5.307 163 HG3 GLN 17 HG1 GLN 17 3.810 6.353 -4.370 164 HE21 GLN 17 HE21 GLN 17 3.961 5.748 -7.231 165 HE22 GLN 17 HE22 GLN 17 3.831 7.271 -8.045 166 H ILE 18 HN ILE 18 8.600 6.208 -2.983 167 HA ILE 18 HA ILE 18 9.405 8.453 -1.511 168 HB ILE 18 HB ILE 18 10.701 5.750 -1.856 169 HG12 ILE 18 HG12 ILE 18 9.210 7.011 0.458 170 HG13 ILE 18 HG11 ILE 18 8.534 5.844 -0.673 171 HG21 ILE 18 HG21 ILE 18 12.475 7.314 -1.333 172 HG22 ILE 18 HG22 ILE 18 12.128 6.311 0.076 173 HG23 ILE 18 HG23 ILE 18 11.536 7.971 0.006 174 HD11 ILE 18 HD11 ILE 18 9.151 4.799 1.430 175 HD12 ILE 18 HD12 ILE 18 10.816 5.338 1.221 176 HD13 ILE 18 HD13 ILE 18 10.121 4.167 0.100 177 H ALA 19 HN ALA 19 11.033 6.742 -4.164 178 HA ALA 19 HA ALA 19 13.322 8.343 -4.308 179 HB1 ALA 19 HB1 ALA 19 11.923 6.904 -6.560 180 HB2 ALA 19 HB2 ALA 19 13.097 6.190 -5.454 181 HB3 ALA 19 HB3 ALA 19 13.594 7.468 -6.563 182 H GLN 20 HN GLN 20 10.123 8.755 -5.740 183 HA GLN 20 HA GLN 20 10.716 10.979 -7.364 184 HB2 GLN 20 HB2 GLN 20 8.135 10.152 -6.025 185 HB3 GLN 20 HB1 GLN 20 8.256 11.466 -7.185 186 HG2 GLN 20 HG2 GLN 20 9.008 8.614 -7.770 187 HG3 GLN 20 HG1 GLN 20 7.443 9.331 -8.144 188 HE21 GLN 20 HE21 GLN 20 10.830 9.260 -8.933 189 HE22 GLN 20 HE22 GLN 20 10.697 10.096 -10.441 190 H VAL 21 HN VAL 21 9.503 10.770 -4.034 191 HA VAL 21 HA VAL 21 9.329 13.550 -3.592 192 HB VAL 21 HB VAL 21 9.720 11.326 -1.578 193 HG11 VAL 21 HG11 VAL 21 10.318 13.493 -0.629 194 HG12 VAL 21 HG12 VAL 21 8.806 12.903 0.062 195 HG13 VAL 21 HG13 VAL 21 8.779 14.166 -1.169 196 HG21 VAL 21 HG21 VAL 21 7.292 11.499 -1.262 197 HG22 VAL 21 HG22 VAL 21 7.706 11.032 -2.911 198 HG23 VAL 21 HG23 VAL 21 7.213 12.689 -2.560 199 H LEU 22 HN LEU 22 11.894 11.200 -2.840 200 HA LEU 22 HA LEU 22 13.644 13.061 -1.630 201 HB2 LEU 22 HB2 LEU 22 13.894 10.304 -2.704 202 HB3 LEU 22 HB1 LEU 22 15.375 11.219 -2.500 203 HG LEU 22 HG LEU 22 14.908 11.497 -0.119 204 HD11 LEU 22 HD11 LEU 22 12.443 9.850 -0.652 205 HD12 LEU 22 HD12 LEU 22 12.481 11.548 -0.179 206 HD13 LEU 22 HD13 LEU 22 13.049 10.308 0.939 207 HD21 LEU 22 HD21 LEU 22 15.167 9.157 0.559 208 HD22 LEU 22 HD22 LEU 22 16.177 9.555 -0.832 209 HD23 LEU 22 HD23 LEU 22 14.684 8.643 -1.057 210 H GLY 23 HN GLY 23 13.270 11.962 -4.961 211 HA2 GLY 23 HA2 GLY 23 15.506 13.299 -6.041 212 HA3 GLY 23 HA1 GLY 23 14.072 12.816 -6.935 213 H ALA 24 HN ALA 24 12.122 14.314 -5.685 214 HA ALA 24 HA ALA 24 12.506 16.875 -6.867 215 HB1 ALA 24 HB1 ALA 24 10.345 15.922 -4.991 216 HB2 ALA 24 HB2 ALA 24 10.310 15.821 -6.751 217 HB3 ALA 24 HB3 ALA 24 10.294 17.395 -5.958 218 H LYS 25 HN LYS 25 12.969 15.582 -3.693 219 HA LYS 25 HA LYS 25 13.120 18.107 -2.344 220 HB2 LYS 25 HB2 LYS 25 12.483 16.077 -1.148 221 HB3 LYS 25 HB1 LYS 25 14.020 15.331 -1.549 222 HG2 LYS 25 HG2 LYS 25 15.179 16.988 -0.181 223 HG3 LYS 25 HG1 LYS 25 13.630 17.730 0.229 224 HD2 LYS 25 HD2 LYS 25 12.894 15.624 1.238 225 HD3 LYS 25 HD1 LYS 25 14.447 14.890 0.840 226 HE2 LYS 25 HE2 LYS 25 15.584 16.482 2.290 227 HE3 LYS 25 HE1 LYS 25 14.047 17.266 2.654 228 HZ1 LYS 25 HZ1 LYS 25 13.282 15.157 3.614 229 HZ2 LYS 25 HZ2 LYS 25 14.634 15.768 4.423 230 HZ3 LYS 25 HZ3 LYS 25 14.806 14.480 3.343 231 H GLY 26 HN GLY 26 15.289 15.996 -4.037 232 HA2 GLY 26 HA2 GLY 26 17.403 16.541 -4.871 233 HA3 GLY 26 HA1 GLY 26 17.418 17.965 -3.837 234 H GLY 27 HN GLY 27 16.448 15.166 -2.239 235 HA2 GLY 27 HA2 GLY 27 18.894 15.221 -0.667 236 HA3 GLY 27 HA1 GLY 27 17.406 14.381 -0.253 237 HA PRO 28 HA PRO 28 20.896 11.652 -2.147 238 HB2 PRO 28 HB2 PRO 28 20.876 10.431 0.547 239 HB3 PRO 28 HB1 PRO 28 22.243 10.874 -0.478 240 HG2 PRO 28 HG2 PRO 28 21.621 12.301 1.695 241 HG3 PRO 28 HG1 PRO 28 22.226 13.075 0.221 242 HD2 PRO 28 HD2 PRO 28 19.432 12.920 1.271 243 HD3 PRO 28 HD1 PRO 28 20.264 14.268 0.469 244 H LEU 29 HN LEU 29 19.962 10.137 -3.341 245 HA LEU 29 HA LEU 29 17.631 8.703 -2.549 246 HB2 LEU 29 HB2 LEU 29 19.582 8.197 -4.800 247 HB3 LEU 29 HB1 LEU 29 18.060 7.356 -4.597 248 HG LEU 29 HG LEU 29 18.351 10.323 -5.089 249 HD11 LEU 29 HD11 LEU 29 17.458 9.821 -7.309 250 HD12 LEU 29 HD12 LEU 29 17.490 8.099 -6.933 251 HD13 LEU 29 HD13 LEU 29 18.997 9.007 -7.034 252 HD21 LEU 29 HD21 LEU 29 15.912 8.551 -4.961 253 HD22 LEU 29 HD22 LEU 29 15.922 10.246 -5.449 254 HD23 LEU 29 HD23 LEU 29 16.358 9.801 -3.800 255 H VAL 30 HN VAL 30 17.663 7.249 -1.001 256 HA VAL 30 HA VAL 30 20.038 5.563 -0.657 257 HB VAL 30 HB VAL 30 19.225 5.211 1.671 258 HG11 VAL 30 HG11 VAL 30 19.676 8.084 0.869 259 HG12 VAL 30 HG12 VAL 30 20.925 6.887 1.210 260 HG13 VAL 30 HG13 VAL 30 19.854 7.435 2.500 261 HG21 VAL 30 HG21 VAL 30 17.494 6.674 2.573 262 HG22 VAL 30 HG22 VAL 30 16.849 5.679 1.268 263 HG23 VAL 30 HG23 VAL 30 17.237 7.373 0.976 264 H ALA 31 HN ALA 31 19.728 3.341 -0.097 265 HA ALA 31 HA ALA 31 17.703 2.069 -1.628 266 HB1 ALA 31 HB1 ALA 31 19.946 1.098 -1.262 267 HB2 ALA 31 HB2 ALA 31 18.645 -0.010 -0.829 268 HB3 ALA 31 HB3 ALA 31 19.533 0.841 0.433 269 H VAL 32 HN VAL 32 15.691 1.598 -1.068 270 HA VAL 32 HA VAL 32 14.765 2.310 1.550 271 HB VAL 32 HB VAL 32 13.412 2.844 -0.417 272 HG11 VAL 32 HG11 VAL 32 13.936 0.950 -1.826 273 HG12 VAL 32 HG12 VAL 32 12.191 1.074 -1.608 274 HG13 VAL 32 HG13 VAL 32 13.107 -0.138 -0.715 275 HG21 VAL 32 HG21 VAL 32 11.246 2.063 0.421 276 HG22 VAL 32 HG22 VAL 32 12.296 2.597 1.733 277 HG23 VAL 32 HG23 VAL 32 12.068 0.875 1.432 278 H GLU 33 HN GLU 33 14.287 1.049 3.199 279 HA GLU 33 HA GLU 33 14.547 -1.857 2.866 280 HB2 GLU 33 HB2 GLU 33 15.037 -0.057 5.238 281 HB3 GLU 33 HB1 GLU 33 14.967 -1.809 5.366 282 HG2 GLU 33 HG2 GLU 33 16.885 -0.325 3.590 283 HG3 GLU 33 HG1 GLU 33 17.262 -0.880 5.222 284 H ILE 34 HN ILE 34 12.967 -3.186 3.615 285 HA ILE 34 HA ILE 34 10.351 -2.035 3.740 286 HB ILE 34 HB ILE 34 10.823 -4.162 2.567 287 HG12 ILE 34 HG12 ILE 34 8.871 -5.445 3.467 288 HG13 ILE 34 HG11 ILE 34 8.819 -4.324 4.824 289 HG21 ILE 34 HG21 ILE 34 12.443 -5.140 4.050 290 HG22 ILE 34 HG22 ILE 34 11.075 -6.238 3.875 291 HG23 ILE 34 HG23 ILE 34 11.245 -5.266 5.336 292 HD11 ILE 34 HD11 ILE 34 7.176 -3.775 3.103 293 HD12 ILE 34 HD12 ILE 34 8.476 -3.574 1.929 294 HD13 ILE 34 HD13 ILE 34 8.361 -2.485 3.311 295 H ASP 35 HN ASP 35 12.666 -3.146 6.057 296 HA ASP 35 HA ASP 35 10.737 -3.370 8.212 297 HB2 ASP 35 HB2 ASP 35 12.584 -4.907 8.264 298 HB3 ASP 35 HB1 ASP 35 13.750 -3.594 8.142 299 H SER 36 HN SER 36 13.021 -1.053 6.986 300 HA SER 36 HA SER 36 13.277 0.544 9.290 301 HB2 SER 36 HB2 SER 36 13.620 1.276 6.375 302 HB3 SER 36 HB1 SER 36 14.177 2.243 7.742 303 HG SER 36 HG SER 36 15.851 0.939 6.909 304 H ARG 37 HN ARG 37 12.524 2.741 9.535 305 HA ARG 37 HA ARG 37 9.677 2.950 8.978 306 HB2 ARG 37 HB2 ARG 37 11.449 4.842 10.529 307 HB3 ARG 37 HB1 ARG 37 9.695 4.758 10.571 308 HG2 ARG 37 HG2 ARG 37 9.686 2.834 11.857 309 HG3 ARG 37 HG1 ARG 37 11.335 2.402 11.399 310 HD2 ARG 37 HD2 ARG 37 10.531 4.728 13.145 311 HD3 ARG 37 HD1 ARG 37 11.249 3.214 13.701 312 HE ARG 37 HE ARG 37 13.031 4.119 11.859 313 HH11 ARG 37 HH11 ARG 37 11.581 5.572 14.703 314 HH12 ARG 37 HH12 ARG 37 12.960 6.565 15.043 315 HH21 ARG 37 HH21 ARG 37 14.828 5.418 12.297 316 HH22 ARG 37 HH22 ARG 37 14.807 6.478 13.680 317 H PHE 38 HN PHE 38 8.822 5.057 8.156 318 HA PHE 38 HA PHE 38 10.067 5.760 5.740 319 HB2 PHE 38 HB2 PHE 38 7.901 7.127 7.336 320 HB3 PHE 38 HB1 PHE 38 8.436 7.704 5.761 321 HD1 PHE 38 HD1 PHE 38 6.315 5.457 7.510 322 HD2 PHE 38 HD2 PHE 38 8.288 6.066 3.787 323 HE1 PHE 38 HE1 PHE 38 4.767 3.880 6.435 324 HE2 PHE 38 HE2 PHE 38 6.742 4.491 2.708 325 HZ PHE 38 HZ PHE 38 5.027 3.387 3.980 326 H SER 39 HN SER 39 10.190 7.209 8.935 327 HA SER 39 HA SER 39 11.575 9.555 8.290 328 HB2 SER 39 HB2 SER 39 11.780 7.937 10.838 329 HB3 SER 39 HB1 SER 39 12.156 9.650 10.649 330 HG SER 39 HG SER 39 10.030 9.169 11.525 331 H ASP 40 HN ASP 40 12.669 6.261 8.472 332 HA ASP 40 HA ASP 40 15.426 6.865 8.932 333 HB2 ASP 40 HB2 ASP 40 14.024 4.366 8.002 334 HB3 ASP 40 HB1 ASP 40 15.774 4.465 8.154 335 H LEU 41 HN LEU 41 13.404 6.553 6.107 336 HA LEU 41 HA LEU 41 15.695 6.565 4.323 337 HB2 LEU 41 HB2 LEU 41 12.732 6.653 3.762 338 HB3 LEU 41 HB1 LEU 41 13.958 6.692 2.513 339 HG LEU 41 HG LEU 41 13.244 4.475 2.540 340 HD11 LEU 41 HD11 LEU 41 15.666 4.619 2.566 341 HD12 LEU 41 HD12 LEU 41 15.114 3.162 3.390 342 HD13 LEU 41 HD13 LEU 41 15.666 4.547 4.327 343 HD21 LEU 41 HD21 LEU 41 12.954 3.123 4.549 344 HD22 LEU 41 HD22 LEU 41 11.921 4.552 4.574 345 HD23 LEU 41 HD23 LEU 41 13.391 4.509 5.548 346 H GLY 42 HN GLY 42 13.890 8.833 6.009 347 HA2 GLY 42 HA2 GLY 42 14.854 11.074 6.013 348 HA3 GLY 42 HA1 GLY 42 14.969 10.954 4.265 349 H LEU 43 HN LEU 43 12.073 9.607 5.199 350 HA LEU 43 HA LEU 43 10.627 11.908 4.211 351 HB2 LEU 43 HB2 LEU 43 9.676 9.195 5.135 352 HB3 LEU 43 HB1 LEU 43 8.612 10.444 4.529 353 HG LEU 43 HG LEU 43 8.923 8.925 2.755 354 HD11 LEU 43 HD11 LEU 43 9.047 11.264 2.084 355 HD12 LEU 43 HD12 LEU 43 10.014 10.235 1.030 356 HD13 LEU 43 HD13 LEU 43 10.801 11.224 2.258 357 HD21 LEU 43 HD21 LEU 43 11.893 9.110 3.219 358 HD22 LEU 43 HD22 LEU 43 11.102 8.206 1.930 359 HD23 LEU 43 HD23 LEU 43 10.859 7.738 3.611 360 H SER 44 HN SER 44 9.810 13.470 5.459 361 HA SER 44 HA SER 44 9.672 13.084 8.332 362 HB2 SER 44 HB2 SER 44 9.032 15.477 8.389 363 HB3 SER 44 HB1 SER 44 10.521 15.218 7.484 364 HG SER 44 HG SER 44 9.336 15.388 5.559 365 H SER 45 HN SER 45 7.532 14.171 9.343 366 HA SER 45 HA SER 45 5.430 12.421 8.807 367 HB2 SER 45 HB2 SER 45 5.282 15.156 10.099 368 HB3 SER 45 HB1 SER 45 4.069 13.882 10.236 369 HG SER 45 HG SER 45 5.898 12.573 11.088 370 H LEU 46 HN LEU 46 6.044 15.690 7.616 371 HA LEU 46 HA LEU 46 3.594 15.997 6.234 372 HB2 LEU 46 HB2 LEU 46 5.044 17.889 6.793 373 HB3 LEU 46 HB1 LEU 46 6.279 17.276 5.710 374 HG LEU 46 HG LEU 46 4.721 17.598 3.804 375 HD11 LEU 46 HD11 LEU 46 2.616 17.433 4.998 376 HD12 LEU 46 HD12 LEU 46 2.720 18.966 4.135 377 HD13 LEU 46 HD13 LEU 46 2.979 18.917 5.878 378 HD21 LEU 46 HD21 LEU 46 4.918 20.018 3.723 379 HD22 LEU 46 HD22 LEU 46 6.383 19.296 4.385 380 HD23 LEU 46 HD23 LEU 46 5.218 20.067 5.460 381 H ASP 47 HN ASP 47 6.791 14.842 5.213 382 HA ASP 47 HA ASP 47 6.152 14.461 2.491 383 HB2 ASP 47 HB2 ASP 47 8.144 12.887 4.141 384 HB3 ASP 47 HB1 ASP 47 8.093 12.979 2.386 385 H LEU 48 HN LEU 48 5.965 12.369 5.307 386 HA LEU 48 HA LEU 48 5.282 9.966 4.075 387 HB2 LEU 48 HB2 LEU 48 5.738 10.754 6.614 388 HB3 LEU 48 HB1 LEU 48 3.993 10.613 6.665 389 HG LEU 48 HG LEU 48 5.917 8.401 5.933 390 HD11 LEU 48 HD11 LEU 48 5.184 7.406 8.054 391 HD12 LEU 48 HD12 LEU 48 4.247 8.859 8.400 392 HD13 LEU 48 HD13 LEU 48 6.005 8.950 8.291 393 HD21 LEU 48 HD21 LEU 48 2.922 8.333 6.276 394 HD22 LEU 48 HD22 LEU 48 3.967 6.945 5.976 395 HD23 LEU 48 HD23 LEU 48 3.790 8.196 4.746 396 H ALA 49 HN ALA 49 3.189 12.558 5.319 397 HA ALA 49 HA ALA 49 0.724 11.366 4.802 398 HB1 ALA 49 HB1 ALA 49 1.410 14.302 4.717 399 HB2 ALA 49 HB2 ALA 49 0.983 13.378 6.159 400 HB3 ALA 49 HB3 ALA 49 -0.208 13.619 4.881 401 H THR 50 HN THR 50 2.593 13.592 2.737 402 HA THR 50 HA THR 50 0.760 13.502 0.575 403 HB THR 50 HB THR 50 3.703 14.176 0.410 404 HG1 THR 50 HG1 THR 50 3.160 16.210 1.115 405 HG21 THR 50 HG21 THR 50 2.979 15.659 -1.403 406 HG22 THR 50 HG22 THR 50 1.314 15.125 -1.180 407 HG23 THR 50 HG23 THR 50 2.537 13.987 -1.743 408 H LEU 51 HN LEU 51 3.584 11.614 1.451 409 HA LEU 51 HA LEU 51 3.995 10.192 -0.920 410 HB2 LEU 51 HB2 LEU 51 5.503 10.170 1.047 411 HB3 LEU 51 HB1 LEU 51 4.319 9.221 1.923 412 HG LEU 51 HG LEU 51 4.594 7.422 0.196 413 HD11 LEU 51 HD11 LEU 51 6.603 7.499 -1.202 414 HD12 LEU 51 HD12 LEU 51 6.911 9.149 -0.662 415 HD13 LEU 51 HD13 LEU 51 5.469 8.785 -1.612 416 HD21 LEU 51 HD21 LEU 51 6.711 6.619 1.101 417 HD22 LEU 51 HD22 LEU 51 5.705 7.321 2.368 418 HD23 LEU 51 HD23 LEU 51 7.067 8.232 1.717 419 H ILE 52 HN ILE 52 1.887 9.512 1.843 420 HA ILE 52 HA ILE 52 0.828 7.082 0.900 421 HB ILE 52 HB ILE 52 -0.493 9.123 2.699 422 HG12 ILE 52 HG12 ILE 52 1.156 6.672 3.366 423 HG13 ILE 52 HG11 ILE 52 1.669 8.344 3.570 424 HG21 ILE 52 HG21 ILE 52 -2.093 7.549 1.757 425 HG22 ILE 52 HG22 ILE 52 -1.858 7.252 3.480 426 HG23 ILE 52 HG23 ILE 52 -1.094 6.198 2.292 427 HD11 ILE 52 HD11 ILE 52 -0.115 8.676 5.213 428 HD12 ILE 52 HD12 ILE 52 0.997 7.390 5.683 429 HD13 ILE 52 HD13 ILE 52 -0.589 6.989 5.022 430 H SER 53 HN SER 53 -0.221 10.437 0.483 431 HA SER 53 HA SER 53 -2.633 9.973 -0.832 432 HB2 SER 53 HB2 SER 53 -0.704 12.269 -1.255 433 HB3 SER 53 HB1 SER 53 -2.422 12.268 -1.657 434 HG SER 53 HG SER 53 -2.878 12.018 0.561 435 H ASN 54 HN ASN 54 0.663 10.055 -2.062 436 HA ASN 54 HA ASN 54 0.014 9.901 -4.818 437 HB2 ASN 54 HB2 ASN 54 2.492 9.108 -3.282 438 HB3 ASN 54 HB1 ASN 54 2.375 8.992 -5.035 439 HD21 ASN 54 HD21 ASN 54 4.128 10.615 -3.351 440 HD22 ASN 54 HD22 ASN 54 3.864 12.253 -3.835 441 H LEU 55 HN LEU 55 0.754 7.444 -2.378 442 HA LEU 55 HA LEU 55 0.596 5.233 -4.151 443 HB2 LEU 55 HB2 LEU 55 1.755 5.224 -1.945 444 HB3 LEU 55 HB1 LEU 55 0.190 5.271 -1.159 445 HG LEU 55 HG LEU 55 -0.361 3.082 -2.181 446 HD11 LEU 55 HD11 LEU 55 1.462 1.765 -3.183 447 HD12 LEU 55 HD12 LEU 55 2.494 3.194 -3.141 448 HD13 LEU 55 HD13 LEU 55 1.046 3.183 -4.146 449 HD21 LEU 55 HD21 LEU 55 1.173 1.756 -0.781 450 HD22 LEU 55 HD22 LEU 55 0.525 3.161 0.066 451 HD23 LEU 55 HD23 LEU 55 2.175 3.189 -0.554 452 H GLU 56 HN GLU 56 -1.721 6.867 -2.071 453 HA GLU 56 HA GLU 56 -3.916 5.169 -2.326 454 HB2 GLU 56 HB2 GLU 56 -3.942 7.055 -0.799 455 HB3 GLU 56 HB1 GLU 56 -3.811 8.189 -2.134 456 HG2 GLU 56 HG2 GLU 56 -6.021 7.398 -2.948 457 HG3 GLU 56 HG1 GLU 56 -6.152 6.410 -1.494 458 H ALA 57 HN ALA 57 -2.767 7.742 -4.470 459 HA ALA 57 HA ALA 57 -4.955 7.631 -6.266 460 HB1 ALA 57 HB1 ALA 57 -3.475 9.567 -6.115 461 HB2 ALA 57 HB2 ALA 57 -3.549 8.943 -7.764 462 HB3 ALA 57 HB3 ALA 57 -2.144 8.603 -6.756 463 H VAL 58 HN VAL 58 -2.155 5.655 -5.873 464 HA VAL 58 HA VAL 58 -2.025 4.634 -8.531 465 HB VAL 58 HB VAL 58 -1.009 3.401 -5.963 466 HG11 VAL 58 HG11 VAL 58 -1.270 1.756 -7.759 467 HG12 VAL 58 HG12 VAL 58 0.428 2.048 -7.387 468 HG13 VAL 58 HG13 VAL 58 -0.295 2.768 -8.824 469 HG21 VAL 58 HG21 VAL 58 0.409 5.079 -8.029 470 HG22 VAL 58 HG22 VAL 58 1.169 4.295 -6.644 471 HG23 VAL 58 HG23 VAL 58 -0.014 5.579 -6.392 472 H TYR 59 HN TYR 59 -3.105 3.079 -5.503 473 HA TYR 59 HA TYR 59 -4.403 0.998 -7.052 474 HB2 TYR 59 HB2 TYR 59 -4.056 1.389 -4.080 475 HB3 TYR 59 HB1 TYR 59 -4.924 0.032 -4.786 476 HD1 TYR 59 HD1 TYR 59 -3.685 -1.569 -6.260 477 HD2 TYR 59 HD2 TYR 59 -1.689 1.394 -3.956 478 HE1 TYR 59 HE1 TYR 59 -1.583 -2.810 -6.505 479 HE2 TYR 59 HE2 TYR 59 0.426 0.161 -4.193 480 HH TYR 59 HH TYR 59 1.162 -2.166 -4.645 481 H GLY 60 HN GLY 60 -5.299 3.725 -5.056 482 HA2 GLY 60 HA2 GLY 60 -7.285 4.889 -5.016 483 HA3 GLY 60 HA1 GLY 60 -7.941 3.744 -6.177 484 H THR 61 HN THR 61 -6.785 1.811 -3.856 485 HA THR 61 HA THR 61 -9.404 1.754 -2.521 486 HB THR 61 HB THR 61 -9.048 -0.700 -2.293 487 HG1 THR 61 HG1 THR 61 -6.701 -0.516 -2.712 488 HG21 THR 61 HG21 THR 61 -9.089 0.373 -5.110 489 HG22 THR 61 HG22 THR 61 -10.483 0.197 -4.044 490 HG23 THR 61 HG23 THR 61 -9.623 -1.233 -4.614 491 H ASP 62 HN ASP 62 -9.242 2.400 -0.548 492 HA ASP 62 HA ASP 62 -8.240 1.070 1.565 493 HB2 ASP 62 HB2 ASP 62 -5.935 1.519 0.665 494 HB3 ASP 62 HB1 ASP 62 -6.234 3.241 0.886 495 HA PRO 63 HA PRO 63 -11.020 4.609 2.343 496 HB2 PRO 63 HB2 PRO 63 -12.313 3.417 4.440 497 HB3 PRO 63 HB1 PRO 63 -12.759 3.180 2.748 498 HG2 PRO 63 HG2 PRO 63 -11.126 1.430 4.539 499 HG3 PRO 63 HG1 PRO 63 -12.364 0.975 3.354 500 HD2 PRO 63 HD2 PRO 63 -9.723 0.759 2.840 501 HD3 PRO 63 HD1 PRO 63 -10.902 1.158 1.574 502 H PHE 64 HN PHE 64 -10.035 6.257 3.323 503 HA PHE 64 HA PHE 64 -8.531 5.810 5.771 504 HB2 PHE 64 HB2 PHE 64 -8.774 8.162 3.909 505 HB3 PHE 64 HB1 PHE 64 -7.983 8.296 5.479 506 HD1 PHE 64 HD1 PHE 64 -5.982 6.889 5.960 507 HD2 PHE 64 HD2 PHE 64 -7.690 7.182 2.077 508 HE1 PHE 64 HE1 PHE 64 -3.888 6.053 4.982 509 HE2 PHE 64 HE2 PHE 64 -5.601 6.345 1.090 510 HZ PHE 64 HZ PHE 64 -3.724 5.685 2.571 511 H ALA 65 HN ALA 65 -11.653 6.235 5.162 512 HA ALA 65 HA ALA 65 -12.456 8.134 7.080 513 HB1 ALA 65 HB1 ALA 65 -14.594 6.894 7.092 514 HB2 ALA 65 HB2 ALA 65 -13.840 5.627 6.127 515 HB3 ALA 65 HB3 ALA 65 -14.025 7.250 5.463 516 H ASP 66 HN ASP 66 -11.995 4.613 7.294 517 HA ASP 66 HA ASP 66 -12.020 4.781 10.206 518 HB2 ASP 66 HB2 ASP 66 -11.926 2.313 10.143 519 HB3 ASP 66 HB1 ASP 66 -13.278 2.944 9.210 520 H ALA 67 HN ALA 67 -9.820 4.331 7.538 521 HA ALA 67 HA ALA 67 -7.618 3.604 9.287 522 HB1 ALA 67 HB1 ALA 67 -7.772 2.529 7.114 523 HB2 ALA 67 HB2 ALA 67 -6.289 3.474 7.239 524 HB3 ALA 67 HB3 ALA 67 -7.655 4.095 6.314 525 H VAL 68 HN VAL 68 -8.912 6.202 9.593 526 HA VAL 68 HA VAL 68 -7.297 8.269 8.540 527 HB VAL 68 HB VAL 68 -9.590 8.600 9.463 528 HG11 VAL 68 HG11 VAL 68 -9.861 8.904 11.891 529 HG12 VAL 68 HG12 VAL 68 -8.221 8.300 12.131 530 HG13 VAL 68 HG13 VAL 68 -9.460 7.242 11.458 531 HG21 VAL 68 HG21 VAL 68 -7.437 10.329 10.672 532 HG22 VAL 68 HG22 VAL 68 -9.137 10.770 10.522 533 HG23 VAL 68 HG23 VAL 68 -8.160 10.517 9.075 534 H ALA 69 HN ALA 69 -6.750 6.003 11.013 535 HA ALA 69 HA ALA 69 -5.107 7.477 12.769 536 HB1 ALA 69 HB1 ALA 69 -4.374 5.308 13.602 537 HB2 ALA 69 HB2 ALA 69 -5.099 4.515 12.204 538 HB3 ALA 69 HB3 ALA 69 -6.122 5.340 13.380 539 H ILE 70 HN ILE 70 -3.225 8.385 12.328 540 HA ILE 70 HA ILE 70 -1.598 7.367 10.122 541 HB ILE 70 HB ILE 70 -2.136 9.800 10.228 542 HG12 ILE 70 HG12 ILE 70 0.192 10.614 9.849 543 HG13 ILE 70 HG11 ILE 70 0.793 9.084 10.475 544 HG21 ILE 70 HG21 ILE 70 -0.953 11.205 11.871 545 HG22 ILE 70 HG22 ILE 70 -0.418 9.744 12.700 546 HG23 ILE 70 HG23 ILE 70 -2.136 10.129 12.615 547 HD11 ILE 70 HD11 ILE 70 -0.927 9.420 8.030 548 HD12 ILE 70 HD12 ILE 70 -0.279 7.899 8.646 549 HD13 ILE 70 HD13 ILE 70 0.814 9.144 8.042 550 H THR 71 HN THR 71 -1.820 7.236 13.494 551 HA THR 71 HA THR 71 0.882 7.097 14.268 552 HB THR 71 HB THR 71 -0.097 5.710 16.207 553 HG1 THR 71 HG1 THR 71 -2.315 5.620 16.315 554 HG21 THR 71 HG21 THR 71 -1.168 8.476 15.635 555 HG22 THR 71 HG22 THR 71 0.381 8.096 16.387 556 HG23 THR 71 HG23 THR 71 -1.123 7.704 17.219 557 H SER 72 HN SER 72 -1.271 4.758 12.843 558 HA SER 72 HA SER 72 0.268 2.454 13.462 559 HB2 SER 72 HB2 SER 72 -1.720 2.843 11.214 560 HB3 SER 72 HB1 SER 72 -1.190 1.306 11.900 561 HG SER 72 HG SER 72 -3.272 2.276 12.663 562 H ILE 73 HN ILE 73 0.376 4.836 10.916 563 HA ILE 73 HA ILE 73 2.029 3.179 9.208 564 HB ILE 73 HB ILE 73 1.321 6.097 8.861 565 HG12 ILE 73 HG12 ILE 73 -0.692 4.653 8.922 566 HG13 ILE 73 HG11 ILE 73 -0.422 5.345 7.325 567 HG21 ILE 73 HG21 ILE 73 1.906 5.669 6.501 568 HG22 ILE 73 HG22 ILE 73 2.414 4.040 6.945 569 HG23 ILE 73 HG23 ILE 73 3.273 5.438 7.590 570 HD11 ILE 73 HD11 ILE 73 0.183 2.533 8.203 571 HD12 ILE 73 HD12 ILE 73 0.608 3.208 6.631 572 HD13 ILE 73 HD13 ILE 73 -1.088 3.056 7.097 573 H VAL 74 HN VAL 74 3.847 2.841 10.492 574 HA VAL 74 HA VAL 74 5.585 5.208 10.753 575 HB VAL 74 HB VAL 74 5.582 2.726 12.486 576 HG11 VAL 74 HG11 VAL 74 7.345 3.815 13.766 577 HG12 VAL 74 HG12 VAL 74 7.345 5.171 12.639 578 HG13 VAL 74 HG13 VAL 74 7.849 3.573 12.094 579 HG21 VAL 74 HG21 VAL 74 3.754 4.255 13.003 580 HG22 VAL 74 HG22 VAL 74 4.895 5.593 13.133 581 HG23 VAL 74 HG23 VAL 74 4.959 4.262 14.290 582 H THR 75 HN THR 75 5.599 1.680 10.298 583 HA THR 75 HA THR 75 8.210 1.807 9.047 584 HB THR 75 HB THR 75 7.825 -0.711 8.815 585 HG1 THR 75 HG1 THR 75 6.137 -1.152 10.691 586 HG21 THR 75 HG21 THR 75 8.331 -1.119 11.183 587 HG22 THR 75 HG22 THR 75 7.825 0.525 11.572 588 HG23 THR 75 HG23 THR 75 9.242 0.255 10.557 589 H VAL 76 HN VAL 76 8.629 1.066 6.917 590 HA VAL 76 HA VAL 76 6.813 1.929 4.953 591 HB VAL 76 HB VAL 76 9.151 0.029 4.641 592 HG11 VAL 76 HG11 VAL 76 7.652 -0.087 2.727 593 HG12 VAL 76 HG12 VAL 76 9.155 0.728 2.292 594 HG13 VAL 76 HG13 VAL 76 7.692 1.670 2.572 595 HG21 VAL 76 HG21 VAL 76 10.393 2.037 3.933 596 HG22 VAL 76 HG22 VAL 76 9.846 2.145 5.605 597 HG23 VAL 76 HG23 VAL 76 8.992 3.027 4.340 598 H ALA 77 HN ALA 77 7.446 -1.202 6.375 599 HA ALA 77 HA ALA 77 6.056 -2.847 4.608 600 HB1 ALA 77 HB1 ALA 77 6.375 -3.215 7.581 601 HB2 ALA 77 HB2 ALA 77 7.570 -3.657 6.364 602 HB3 ALA 77 HB3 ALA 77 6.008 -4.473 6.401 603 H ASP 78 HN ASP 78 4.864 -0.820 7.223 604 HA ASP 78 HA ASP 78 2.361 -2.124 7.513 605 HB2 ASP 78 HB2 ASP 78 3.466 -0.531 9.180 606 HB3 ASP 78 HB1 ASP 78 2.867 0.776 8.165 607 H LEU 79 HN LEU 79 3.310 0.850 5.819 608 HA LEU 79 HA LEU 79 0.729 1.398 4.794 609 HB2 LEU 79 HB2 LEU 79 2.489 3.101 4.991 610 HB3 LEU 79 HB1 LEU 79 3.431 2.268 3.771 611 HG LEU 79 HG LEU 79 1.607 2.709 2.129 612 HD11 LEU 79 HD11 LEU 79 -0.234 2.965 3.709 613 HD12 LEU 79 HD12 LEU 79 -0.083 4.376 2.663 614 HD13 LEU 79 HD13 LEU 79 0.497 4.447 4.327 615 HD21 LEU 79 HD21 LEU 79 2.133 5.082 1.833 616 HD22 LEU 79 HD22 LEU 79 3.572 4.141 2.227 617 HD23 LEU 79 HD23 LEU 79 2.803 5.134 3.463 618 H ALA 80 HN ALA 80 3.516 -0.346 3.525 619 HA ALA 80 HA ALA 80 2.533 -0.730 0.910 620 HB1 ALA 80 HB1 ALA 80 4.888 -1.023 1.496 621 HB2 ALA 80 HB2 ALA 80 4.235 -2.468 0.723 622 HB3 ALA 80 HB3 ALA 80 4.473 -2.434 2.470 623 H ARG 81 HN ARG 81 2.371 -2.756 3.828 624 HA ARG 81 HA ARG 81 0.994 -4.889 2.573 625 HB2 ARG 81 HB2 ARG 81 2.226 -5.219 4.656 626 HB3 ARG 81 HB1 ARG 81 1.126 -4.135 5.499 627 HG2 ARG 81 HG2 ARG 81 -0.712 -5.673 5.126 628 HG3 ARG 81 HG1 ARG 81 0.351 -6.746 4.217 629 HD2 ARG 81 HD2 ARG 81 1.677 -7.172 6.182 630 HD3 ARG 81 HD1 ARG 81 0.752 -5.985 7.106 631 HE ARG 81 HE ARG 81 -1.204 -7.567 6.512 632 HH11 ARG 81 HH11 ARG 81 2.062 -8.564 7.285 633 HH12 ARG 81 HH12 ARG 81 1.571 -10.100 7.924 634 HH21 ARG 81 HH21 ARG 81 -1.848 -9.582 7.349 635 HH22 ARG 81 HH22 ARG 81 -0.647 -10.686 7.937 636 H ALA 82 HN ALA 82 -0.056 -1.900 4.032 637 HA ALA 82 HA ALA 82 -2.735 -2.473 4.541 638 HB1 ALA 82 HB1 ALA 82 -1.577 0.138 3.571 639 HB2 ALA 82 HB2 ALA 82 -1.631 -0.402 5.248 640 HB3 ALA 82 HB3 ALA 82 -3.130 -0.078 4.378 641 H TYR 83 HN TYR 83 -1.229 -1.269 1.560 642 HA TYR 83 HA TYR 83 -3.727 -1.378 0.130 643 HB2 TYR 83 HB2 TYR 83 -0.908 -0.696 -0.672 644 HB3 TYR 83 HB1 TYR 83 -2.210 -0.817 -1.852 645 HD1 TYR 83 HD1 TYR 83 -0.941 1.056 1.035 646 HD2 TYR 83 HD2 TYR 83 -3.906 0.887 -2.005 647 HE1 TYR 83 HE1 TYR 83 -1.571 3.377 1.539 648 HE2 TYR 83 HE2 TYR 83 -4.549 3.208 -1.515 649 HH TYR 83 HH TYR 83 -2.702 5.306 0.190 650 H ALA 84 HN ALA 84 -1.089 -3.512 0.714 651 HA ALA 84 HA ALA 84 -1.534 -5.227 -1.527 652 HB1 ALA 84 HB1 ALA 84 0.597 -5.190 -0.283 653 HB2 ALA 84 HB2 ALA 84 -0.098 -6.808 -0.382 654 HB3 ALA 84 HB3 ALA 84 -0.227 -5.883 1.114 655 H GLN 85 HN GLN 85 -2.640 -5.135 1.821 656 HA GLN 85 HA GLN 85 -4.155 -7.536 1.726 657 HB2 GLN 85 HB2 GLN 85 -3.415 -6.426 3.825 658 HB3 GLN 85 HB1 GLN 85 -4.535 -5.112 3.499 659 HG2 GLN 85 HG2 GLN 85 -5.517 -6.572 5.109 660 HG3 GLN 85 HG1 GLN 85 -6.399 -6.740 3.592 661 HE21 GLN 85 HE21 GLN 85 -4.212 -8.243 5.816 662 HE22 GLN 85 HE22 GLN 85 -4.339 -9.850 5.183 663 H GLN 86 HN GLN 86 -4.907 -4.135 1.147 664 HA GLN 86 HA GLN 86 -7.692 -4.463 0.811 665 HB2 GLN 86 HB2 GLN 86 -6.494 -2.283 1.205 666 HB3 GLN 86 HB1 GLN 86 -5.947 -2.350 -0.463 667 HG2 GLN 86 HG2 GLN 86 -7.827 -0.910 -0.360 668 HG3 GLN 86 HG1 GLN 86 -8.307 -2.388 -1.188 669 HE21 GLN 86 HE21 GLN 86 -7.930 -2.135 2.283 670 HE22 GLN 86 HE22 GLN 86 -9.609 -2.296 2.666 671 H GLY 87 HN GLY 87 -8.910 -4.928 -0.953 672 HA2 GLY 87 HA2 GLY 87 -9.115 -5.043 -3.392 673 HA3 GLY 87 HA1 GLY 87 -7.450 -5.612 -3.427 674 H VAL 88 HN VAL 88 -8.393 -7.105 -0.832 675 HA VAL 88 HA VAL 88 -8.865 -9.598 -2.137 676 HB VAL 88 HB VAL 88 -7.603 -9.573 -0.078 677 HG11 VAL 88 HG11 VAL 88 -10.107 -8.558 1.256 678 HG12 VAL 88 HG12 VAL 88 -8.610 -7.657 1.019 679 HG13 VAL 88 HG13 VAL 88 -8.635 -9.058 2.089 680 HG21 VAL 88 HG21 VAL 88 -8.774 -11.617 -0.499 681 HG22 VAL 88 HG22 VAL 88 -10.244 -10.976 0.233 682 HG23 VAL 88 HG23 VAL 88 -8.824 -11.284 1.232 683 HA PRO 89 HA PRO 89 -13.266 -9.346 -2.554 684 HB2 PRO 89 HB2 PRO 89 -13.721 -12.070 -2.577 685 HB3 PRO 89 HB1 PRO 89 -13.247 -11.118 -3.985 686 HG2 PRO 89 HG2 PRO 89 -11.562 -12.800 -2.183 687 HG3 PRO 89 HG1 PRO 89 -11.477 -12.610 -3.944 688 HD2 PRO 89 HD2 PRO 89 -9.745 -11.365 -2.304 689 HD3 PRO 89 HD1 PRO 89 -10.333 -10.600 -3.796 690 H GLY 90 HN GLY 90 -14.241 -8.634 -0.750 691 HA2 GLY 90 HA2 GLY 90 -15.447 -10.423 1.040 692 HA3 GLY 90 HA1 GLY 90 -14.022 -9.748 1.815 693 HA PRO 91 HA PRO 91 -17.560 -6.497 1.414 694 HB2 PRO 91 HB2 PRO 91 -19.770 -7.415 2.649 695 HB3 PRO 91 HB1 PRO 91 -19.476 -7.690 0.929 696 HG2 PRO 91 HG2 PRO 91 -19.080 -9.546 3.239 697 HG3 PRO 91 HG1 PRO 91 -19.739 -9.885 1.629 698 HD2 PRO 91 HD2 PRO 91 -17.164 -10.451 2.380 699 HD3 PRO 91 HD1 PRO 91 -17.663 -10.146 0.705 700 H SER 92 HN SER 92 -17.512 -4.970 2.947 701 HA SER 92 HA SER 92 -16.348 -5.587 5.504 702 HB2 SER 92 HB2 SER 92 -17.494 -2.960 4.520 703 HB3 SER 92 HB1 SER 92 -16.344 -3.185 5.835 704 HG SER 92 HG SER 92 -15.945 -3.519 3.056 705 HA PRO 93 HA PRO 93 -19.966 -6.085 7.991 706 HB2 PRO 93 HB2 PRO 93 -19.254 -4.662 10.234 707 HB3 PRO 93 HB1 PRO 93 -18.694 -6.298 9.873 708 HG2 PRO 93 HG2 PRO 93 -17.313 -3.682 9.427 709 HG3 PRO 93 HG1 PRO 93 -16.649 -5.211 10.033 710 HD2 PRO 93 HD2 PRO 93 -16.266 -4.430 7.499 711 HD3 PRO 93 HD1 PRO 93 -16.516 -6.138 7.911 712 H ASP 94 HN ASP 94 -18.867 -2.963 7.084 713 HA ASP 94 HA ASP 94 -21.062 -1.468 8.170 714 HB2 ASP 94 HB2 ASP 94 -19.177 -0.722 5.918 715 HB3 ASP 94 HB1 ASP 94 -20.228 0.378 6.799 716 HA PRO 95 HA PRO 95 -24.046 -2.669 5.099 717 HB2 PRO 95 HB2 PRO 95 -25.782 -0.579 5.495 718 HB3 PRO 95 HB1 PRO 95 -25.723 -2.021 6.513 719 HG2 PRO 95 HG2 PRO 95 -24.518 0.675 6.970 720 HG3 PRO 95 HG1 PRO 95 -25.332 -0.400 8.124 721 HD2 PRO 95 HD2 PRO 95 -22.651 -0.183 8.025 722 HD3 PRO 95 HD1 PRO 95 -23.453 -1.721 8.407 723 H LEU 96 HN LEU 96 -22.471 0.392 5.251 724 HA LEU 96 HA LEU 96 -23.377 1.540 2.841 725 HB2 LEU 96 HB2 LEU 96 -20.651 1.891 4.085 726 HB3 LEU 96 HB1 LEU 96 -21.476 3.007 3.018 727 HG LEU 96 HG LEU 96 -22.423 2.326 5.804 728 HD11 LEU 96 HD11 LEU 96 -20.291 3.437 5.943 729 HD12 LEU 96 HD12 LEU 96 -21.571 4.561 6.400 730 HD13 LEU 96 HD13 LEU 96 -20.824 4.674 4.807 731 HD21 LEU 96 HD21 LEU 96 -23.709 4.464 5.480 732 HD22 LEU 96 HD22 LEU 96 -24.257 3.101 4.515 733 HD23 LEU 96 HD23 LEU 96 -23.288 4.373 3.771 734 H ASP 97 HN ASP 97 -20.880 -0.768 3.608 735 HA ASP 97 HA ASP 97 -19.877 -0.782 0.869 736 HB2 ASP 97 HB2 ASP 97 -18.264 -0.839 2.728 737 HB3 ASP 97 HB1 ASP 97 -18.997 -2.325 3.319 738 H ALA 98 HN ALA 98 -21.565 -2.818 3.175 739 HA ALA 98 HA ALA 98 -21.519 -5.224 1.750 740 HB1 ALA 98 HB1 ALA 98 -22.069 -5.042 4.133 741 HB2 ALA 98 HB2 ALA 98 -23.287 -5.950 3.238 742 HB3 ALA 98 HB3 ALA 98 -23.602 -4.280 3.710 743 H GLN 99 HN GLN 99 -23.628 -2.446 1.436 744 HA GLN 99 HA GLN 99 -25.638 -3.839 -0.059 745 HB2 GLN 99 HB2 GLN 99 -25.107 -0.920 0.435 746 HB3 GLN 99 HB1 GLN 99 -26.418 -1.477 -0.595 747 HG2 GLN 99 HG2 GLN 99 -27.370 -2.713 1.278 748 HG3 GLN 99 HG1 GLN 99 -26.051 -2.163 2.310 749 HE21 GLN 99 HE21 GLN 99 -28.933 -1.237 0.605 750 HE22 GLN 99 HE22 GLN 99 -29.167 0.270 1.417 751 H LEU 100 HN LEU 100 -22.563 -2.778 -0.841 752 HA LEU 100 HA LEU 100 -21.396 -2.691 -2.784 753 HB2 LEU 100 HB2 LEU 100 -23.544 -4.647 -3.584 754 HB3 LEU 100 HB1 LEU 100 -22.051 -4.393 -4.464 755 HG LEU 100 HG LEU 100 -22.246 -5.426 -1.632 756 HD11 LEU 100 HD11 LEU 100 -21.589 -6.859 -4.202 757 HD12 LEU 100 HD12 LEU 100 -23.074 -7.036 -3.268 758 HD13 LEU 100 HD13 LEU 100 -21.535 -7.556 -2.583 759 HD21 LEU 100 HD21 LEU 100 -19.855 -5.904 -1.893 760 HD22 LEU 100 HD22 LEU 100 -20.195 -4.177 -2.005 761 HD23 LEU 100 HD23 LEU 100 -19.875 -5.109 -3.468 762 H ARG 101 HN ARG 101 -22.391 -0.404 -2.903 763 HA ARG 101 HA ARG 101 -23.957 -0.073 -5.351 764 HB2 ARG 101 HB2 ARG 101 -24.095 2.260 -4.808 765 HB3 ARG 101 HB1 ARG 101 -24.413 1.365 -3.331 766 HG2 ARG 101 HG2 ARG 101 -22.219 1.829 -2.499 767 HG3 ARG 101 HG1 ARG 101 -21.738 2.544 -4.037 768 HD2 ARG 101 HD2 ARG 101 -23.457 4.294 -3.715 769 HD3 ARG 101 HD1 ARG 101 -23.818 3.605 -2.133 770 HE ARG 101 HE ARG 101 -21.281 4.057 -1.775 771 HH11 ARG 101 HH11 ARG 101 -23.561 6.105 -3.467 772 HH12 ARG 101 HH12 ARG 101 -22.687 7.568 -3.140 773 HH21 ARG 101 HH21 ARG 101 -20.131 5.990 -1.333 774 HH22 ARG 101 HH22 ARG 101 -20.727 7.500 -1.940 775 H ASP 102 HN ASP 102 -20.762 -0.120 -4.207 776 HA ASP 102 HA ASP 102 -19.696 1.412 -6.455 777 HB2 ASP 102 HB2 ASP 102 -18.205 0.151 -4.141 778 HB3 ASP 102 HB1 ASP 102 -17.560 1.307 -5.298 779 H LEU 103 HN LEU 103 -18.985 -1.656 -4.837 780 HA LEU 103 HA LEU 103 -17.794 -2.747 -7.226 781 HB2 LEU 103 HB2 LEU 103 -18.368 -3.982 -4.531 782 HB3 LEU 103 HB1 LEU 103 -17.512 -4.790 -5.830 783 HG LEU 103 HG LEU 103 -16.579 -2.285 -4.423 784 HD11 LEU 103 HD11 LEU 103 -14.850 -3.761 -3.479 785 HD12 LEU 103 HD12 LEU 103 -15.665 -5.149 -4.200 786 HD13 LEU 103 HD13 LEU 103 -16.474 -4.204 -2.952 787 HD21 LEU 103 HD21 LEU 103 -15.806 -2.347 -6.712 788 HD22 LEU 103 HD22 LEU 103 -15.273 -4.016 -6.518 789 HD23 LEU 103 HD23 LEU 103 -14.469 -2.726 -5.627 790 H ARG 104 HN ARG 104 -18.932 -3.674 -8.785 791 HA ARG 104 HA ARG 104 -21.677 -4.440 -8.373 792 HB2 ARG 104 HB2 ARG 104 -20.861 -3.397 -10.495 793 HB3 ARG 104 HB1 ARG 104 -19.940 -4.858 -10.815 794 HG2 ARG 104 HG2 ARG 104 -21.958 -4.931 -12.097 795 HG3 ARG 104 HG1 ARG 104 -22.068 -6.140 -10.818 796 HD2 ARG 104 HD2 ARG 104 -23.286 -3.385 -10.674 797 HD3 ARG 104 HD1 ARG 104 -24.159 -4.832 -11.167 798 HE ARG 104 HE ARG 104 -23.511 -5.693 -8.859 799 HH11 ARG 104 HH11 ARG 104 -24.130 -2.319 -9.574 800 HH12 ARG 104 HH12 ARG 104 -24.561 -1.924 -7.942 801 HH21 ARG 104 HH21 ARG 104 -24.052 -5.162 -6.708 802 HH22 ARG 104 HH22 ARG 104 -24.479 -3.529 -6.303 803 H GLN 105 HN GLN 105 -18.567 -5.972 -8.576 804 HA GLN 105 HA GLN 105 -19.845 -8.492 -7.802 805 HB2 GLN 105 HB2 GLN 105 -18.337 -9.804 -9.127 806 HB3 GLN 105 HB1 GLN 105 -19.098 -8.631 -10.183 807 HG2 GLN 105 HG2 GLN 105 -16.390 -8.174 -8.983 808 HG3 GLN 105 HG1 GLN 105 -16.614 -9.059 -10.488 809 HE21 GLN 105 HE21 GLN 105 -18.868 -7.371 -11.307 810 HE22 GLN 105 HE22 GLN 105 -18.163 -5.880 -11.827 811 H LEU 106 HN LEU 106 -18.422 -9.906 -6.568 812 HA LEU 106 HA LEU 106 -16.621 -8.317 -4.902 813 HB2 LEU 106 HB2 LEU 106 -18.498 -9.651 -3.888 814 HB3 LEU 106 HB1 LEU 106 -17.660 -11.103 -4.402 815 HG LEU 106 HG LEU 106 -15.709 -10.393 -3.003 816 HD11 LEU 106 HD11 LEU 106 -16.123 -8.698 -1.269 817 HD12 LEU 106 HD12 LEU 106 -17.663 -8.310 -2.037 818 HD13 LEU 106 HD13 LEU 106 -16.150 -8.017 -2.895 819 HD21 LEU 106 HD21 LEU 106 -16.718 -11.066 -0.900 820 HD22 LEU 106 HD22 LEU 106 -17.345 -12.041 -2.229 821 HD23 LEU 106 HD23 LEU 106 -18.326 -10.742 -1.548 Start of MODEL 20 1 H GLY -4 HT1 GLY -4 0.888 -25.491 -8.848 2 HA2 GLY -4 HA1 GLY -4 3.436 -25.906 -10.300 3 HA3 GLY -4 HA2 GLY -4 2.138 -24.826 -10.788 4 H ILE -3 HN ILE -3 2.010 -22.819 -9.908 5 HA ILE -3 HA ILE -3 4.309 -21.811 -8.577 6 HB ILE -3 HB ILE -3 3.029 -19.678 -8.414 7 HG12 ILE -3 HG12 ILE -3 0.873 -21.224 -9.876 8 HG13 ILE -3 HG11 ILE -3 0.772 -20.684 -8.203 9 HG21 ILE -3 HG21 ILE -3 3.124 -21.034 -11.103 10 HG22 ILE -3 HG22 ILE -3 4.410 -20.105 -10.335 11 HG23 ILE -3 HG23 ILE -3 2.932 -19.300 -10.858 12 HD11 ILE -3 HD11 ILE -3 0.988 -18.914 -10.625 13 HD12 ILE -3 HD12 ILE -3 0.904 -18.363 -8.952 14 HD13 ILE -3 HD13 ILE -3 -0.465 -19.211 -9.673 15 H ASP -2 HN ASP -2 4.712 -21.479 -6.492 16 HA ASP -2 HA ASP -2 2.966 -22.637 -4.534 17 HB2 ASP -2 HB2 ASP -2 5.558 -21.105 -4.222 18 HB3 ASP -2 HB1 ASP -2 4.734 -21.966 -2.933 19 HA PRO -1 HA PRO -1 0.671 -18.915 -3.592 20 HB2 PRO -1 HB2 PRO -1 0.354 -20.214 -0.946 21 HB3 PRO -1 HB1 PRO -1 -0.881 -19.630 -2.067 22 HG2 PRO -1 HG2 PRO -1 -0.430 -22.243 -1.742 23 HG3 PRO -1 HG1 PRO -1 -0.841 -21.566 -3.329 24 HD2 PRO -1 HD2 PRO -1 1.813 -22.441 -2.266 25 HD3 PRO -1 HD1 PRO -1 1.135 -22.616 -3.899 26 H PHE 0 HN PHE 0 3.233 -20.279 -1.693 27 HA PHE 0 HA PHE 0 3.574 -18.047 0.060 28 HB2 PHE 0 HB2 PHE 0 5.419 -20.347 -0.615 29 HB3 PHE 0 HB1 PHE 0 5.717 -19.164 0.655 30 HD1 PHE 0 HD1 PHE 0 4.537 -19.244 2.731 31 HD2 PHE 0 HD2 PHE 0 3.613 -21.983 -0.392 32 HE1 PHE 0 HE1 PHE 0 3.245 -20.611 4.316 33 HE2 PHE 0 HE2 PHE 0 2.319 -23.353 1.187 34 HZ PHE 0 HZ PHE 0 2.134 -22.669 3.545 35 H THR 1 HN THR 1 5.327 -19.240 -2.815 36 HA THR 1 HA THR 1 7.160 -17.093 -2.897 37 HB THR 1 HB THR 1 7.513 -17.773 -5.290 38 HG1 THR 1 HG1 THR 1 6.117 -19.070 -6.220 39 HG21 THR 1 HG21 THR 1 8.456 -19.971 -4.758 40 HG22 THR 1 HG22 THR 1 7.535 -20.001 -3.256 41 HG23 THR 1 HG23 THR 1 8.802 -18.797 -3.488 42 H LEU 2 HN LEU 2 4.068 -17.687 -4.489 43 HA LEU 2 HA LEU 2 3.921 -15.360 -6.026 44 HB2 LEU 2 HB2 LEU 2 2.401 -17.293 -6.229 45 HB3 LEU 2 HB1 LEU 2 1.677 -16.875 -4.688 46 HG LEU 2 HG LEU 2 0.896 -14.735 -5.666 47 HD11 LEU 2 HD11 LEU 2 1.971 -15.901 -8.229 48 HD12 LEU 2 HD12 LEU 2 2.574 -14.467 -7.397 49 HD13 LEU 2 HD13 LEU 2 0.957 -14.465 -8.100 50 HD21 LEU 2 HD21 LEU 2 0.049 -17.227 -7.134 51 HD22 LEU 2 HD22 LEU 2 -0.861 -15.719 -7.063 52 HD23 LEU 2 HD23 LEU 2 -0.588 -16.654 -5.593 53 H ASN 3 HN ASN 3 3.140 -15.949 -2.645 54 HA ASN 3 HA ASN 3 1.879 -13.472 -2.127 55 HB2 ASN 3 HB2 ASN 3 1.762 -15.510 -0.658 56 HB3 ASN 3 HB1 ASN 3 3.414 -15.173 -0.151 57 HD21 ASN 3 HD21 ASN 3 2.903 -14.817 1.975 58 HD22 ASN 3 HD22 ASN 3 2.005 -13.437 2.508 59 H HIS 4 HN HIS 4 5.231 -14.546 -2.028 60 HA HIS 4 HA HIS 4 6.254 -12.121 -0.918 61 HB2 HIS 4 HB2 HIS 4 7.517 -14.454 -2.333 62 HB3 HIS 4 HB1 HIS 4 8.457 -13.013 -1.965 63 HD1 HIS 4 HD1 HIS 4 9.737 -13.265 0.117 64 HD2 HIS 4 HD2 HIS 4 6.149 -15.358 0.263 65 HE1 HIS 4 HE1 HIS 4 9.707 -14.399 2.360 66 HE2 HIS 4 HE2 HIS 4 7.442 -15.492 2.495 67 H GLN 5 HN GLN 5 5.828 -13.379 -4.178 68 HA GLN 5 HA GLN 5 7.159 -11.372 -5.592 69 HB2 GLN 5 HB2 GLN 5 4.772 -13.033 -6.414 70 HB3 GLN 5 HB1 GLN 5 5.753 -12.071 -7.513 71 HG2 GLN 5 HG2 GLN 5 7.677 -13.433 -7.081 72 HG3 GLN 5 HG1 GLN 5 6.815 -14.321 -5.825 73 HE21 GLN 5 HE21 GLN 5 8.108 -15.282 -8.249 74 HE22 GLN 5 HE22 GLN 5 6.887 -16.122 -9.138 75 H VAL 6 HN VAL 6 3.721 -11.597 -4.666 76 HA VAL 6 HA VAL 6 3.020 -9.161 -5.944 77 HB VAL 6 HB VAL 6 1.359 -10.907 -5.451 78 HG11 VAL 6 HG11 VAL 6 1.678 -10.048 -2.583 79 HG12 VAL 6 HG12 VAL 6 2.092 -11.621 -3.264 80 HG13 VAL 6 HG13 VAL 6 0.406 -11.105 -3.196 81 HG21 VAL 6 HG21 VAL 6 0.592 -8.664 -5.919 82 HG22 VAL 6 HG22 VAL 6 0.764 -8.222 -4.220 83 HG23 VAL 6 HG23 VAL 6 -0.446 -9.410 -4.704 84 H MET 7 HN MET 7 3.985 -9.950 -2.627 85 HA MET 7 HA MET 7 3.524 -7.370 -1.552 86 HB2 MET 7 HB2 MET 7 3.866 -9.407 -0.177 87 HB3 MET 7 HB1 MET 7 5.548 -9.443 -0.678 88 HG2 MET 7 HG2 MET 7 5.342 -8.503 1.535 89 HG3 MET 7 HG1 MET 7 5.914 -7.280 0.403 90 HE1 MET 7 HE1 MET 7 3.718 -5.286 3.006 91 HE2 MET 7 HE2 MET 7 5.320 -5.453 2.289 92 HE3 MET 7 HE3 MET 7 4.691 -6.717 3.344 93 H ASP 8 HN ASP 8 6.270 -8.889 -3.132 94 HA ASP 8 HA ASP 8 8.139 -6.810 -2.884 95 HB2 ASP 8 HB2 ASP 8 8.829 -8.998 -3.629 96 HB3 ASP 8 HB1 ASP 8 7.763 -8.912 -5.025 97 H GLN 9 HN GLN 9 5.585 -7.414 -5.232 98 HA GLN 9 HA GLN 9 6.175 -5.315 -7.012 99 HB2 GLN 9 HB2 GLN 9 3.567 -6.689 -6.360 100 HB3 GLN 9 HB1 GLN 9 3.762 -5.540 -7.675 101 HG2 GLN 9 HG2 GLN 9 5.238 -6.971 -8.835 102 HG3 GLN 9 HG1 GLN 9 5.420 -8.028 -7.436 103 HE21 GLN 9 HE21 GLN 9 2.333 -6.726 -8.391 104 HE22 GLN 9 HE22 GLN 9 1.656 -8.220 -8.941 105 H VAL 10 HN VAL 10 4.124 -5.449 -4.121 106 HA VAL 10 HA VAL 10 3.155 -2.798 -4.308 107 HB VAL 10 HB VAL 10 3.542 -4.450 -1.800 108 HG11 VAL 10 HG11 VAL 10 1.745 -2.092 -2.360 109 HG12 VAL 10 HG12 VAL 10 3.176 -2.088 -1.330 110 HG13 VAL 10 HG13 VAL 10 1.764 -3.040 -0.872 111 HG21 VAL 10 HG21 VAL 10 1.143 -4.231 -3.620 112 HG22 VAL 10 HG22 VAL 10 1.202 -5.108 -2.091 113 HG23 VAL 10 HG23 VAL 10 2.191 -5.639 -3.451 114 H PHE 11 HN PHE 11 5.953 -4.224 -2.665 115 HA PHE 11 HA PHE 11 6.927 -1.859 -1.495 116 HB2 PHE 11 HB2 PHE 11 7.801 -3.991 -0.779 117 HB3 PHE 11 HB1 PHE 11 8.384 -4.350 -2.401 118 HD1 PHE 11 HD1 PHE 11 8.753 -1.733 0.232 119 HD2 PHE 11 HD2 PHE 11 10.612 -4.011 -2.846 120 HE1 PHE 11 HE1 PHE 11 10.917 -0.698 0.774 121 HE2 PHE 11 HE2 PHE 11 12.778 -2.981 -2.302 122 HZ PHE 11 HZ PHE 11 12.932 -1.322 -0.494 123 H ASP 12 HN ASP 12 7.609 -3.376 -4.629 124 HA ASP 12 HA ASP 12 9.464 -1.555 -5.612 125 HB2 ASP 12 HB2 ASP 12 9.034 -3.564 -6.841 126 HB3 ASP 12 HB1 ASP 12 7.332 -3.158 -7.031 127 H GLN 13 HN GLN 13 5.940 -1.430 -5.659 128 HA GLN 13 HA GLN 13 5.647 0.899 -7.192 129 HB2 GLN 13 HB2 GLN 13 3.795 -0.634 -6.680 130 HB3 GLN 13 HB1 GLN 13 3.864 -0.158 -4.990 131 HG2 GLN 13 HG2 GLN 13 2.036 0.951 -6.112 132 HG3 GLN 13 HG1 GLN 13 3.251 2.124 -5.608 133 HE21 GLN 13 HE21 GLN 13 1.787 0.496 -8.303 134 HE22 GLN 13 HE22 GLN 13 2.397 1.550 -9.531 135 H VAL 14 HN VAL 14 5.585 0.528 -3.634 136 HA VAL 14 HA VAL 14 5.394 3.301 -3.146 137 HB VAL 14 HB VAL 14 5.995 2.783 -0.803 138 HG11 VAL 14 HG11 VAL 14 3.973 0.912 -2.029 139 HG12 VAL 14 HG12 VAL 14 3.689 2.584 -1.545 140 HG13 VAL 14 HG13 VAL 14 4.058 1.364 -0.326 141 HG21 VAL 14 HG21 VAL 14 6.308 0.442 -0.123 142 HG22 VAL 14 HG22 VAL 14 7.618 1.020 -1.151 143 HG23 VAL 14 HG23 VAL 14 6.368 -0.027 -1.822 144 H GLU 15 HN GLU 15 8.172 1.141 -3.434 145 HA GLU 15 HA GLU 15 10.210 2.805 -2.550 146 HB2 GLU 15 HB2 GLU 15 10.693 0.529 -3.150 147 HB3 GLU 15 HB1 GLU 15 10.169 0.797 -4.807 148 HG2 GLU 15 HG2 GLU 15 12.059 2.463 -4.995 149 HG3 GLU 15 HG1 GLU 15 12.639 1.833 -3.456 150 H HIS 16 HN HIS 16 8.819 2.531 -5.791 151 HA HIS 16 HA HIS 16 10.436 4.474 -7.015 152 HB2 HIS 16 HB2 HIS 16 9.099 2.775 -8.236 153 HB3 HIS 16 HB1 HIS 16 7.633 3.634 -7.781 154 HD1 HIS 16 HD1 HIS 16 10.713 4.015 -9.925 155 HD2 HIS 16 HD2 HIS 16 6.990 5.784 -9.379 156 HE1 HIS 16 HE1 HIS 16 10.442 5.625 -11.832 157 HE2 HIS 16 HE2 HIS 16 8.120 6.560 -11.573 158 H GLN 17 HN GLN 17 7.297 4.694 -5.398 159 HA GLN 17 HA GLN 17 6.806 7.399 -6.065 160 HB2 GLN 17 HB2 GLN 17 5.787 5.854 -3.674 161 HB3 GLN 17 HB1 GLN 17 5.106 7.343 -4.313 162 HG2 GLN 17 HG2 GLN 17 5.166 4.657 -5.671 163 HG3 GLN 17 HG1 GLN 17 3.758 5.474 -4.997 164 HE21 GLN 17 HE21 GLN 17 2.829 7.176 -6.120 165 HE22 GLN 17 HE22 GLN 17 3.218 7.522 -7.769 166 H ILE 18 HN ILE 18 8.355 5.851 -3.279 167 HA ILE 18 HA ILE 18 8.819 8.162 -1.752 168 HB ILE 18 HB ILE 18 10.448 5.618 -1.917 169 HG12 ILE 18 HG12 ILE 18 8.397 6.515 0.119 170 HG13 ILE 18 HG11 ILE 18 8.078 5.377 -1.185 171 HG21 ILE 18 HG21 ILE 18 10.543 7.816 0.147 172 HG22 ILE 18 HG22 ILE 18 11.811 7.418 -1.013 173 HG23 ILE 18 HG23 ILE 18 11.386 6.270 0.256 174 HD11 ILE 18 HD11 ILE 18 9.720 3.839 -0.238 175 HD12 ILE 18 HD12 ILE 18 8.442 4.228 0.915 176 HD13 ILE 18 HD13 ILE 18 10.030 4.981 1.070 177 H ALA 19 HN ALA 19 10.770 6.594 -4.255 178 HA ALA 19 HA ALA 19 13.010 8.262 -4.148 179 HB1 ALA 19 HB1 ALA 19 12.945 6.147 -5.385 180 HB2 ALA 19 HB2 ALA 19 13.503 7.479 -6.399 181 HB3 ALA 19 HB3 ALA 19 11.854 6.874 -6.563 182 H GLN 20 HN GLN 20 9.926 8.654 -5.804 183 HA GLN 20 HA GLN 20 10.702 10.935 -7.316 184 HB2 GLN 20 HB2 GLN 20 7.930 10.042 -6.498 185 HB3 GLN 20 HB1 GLN 20 8.295 11.249 -7.722 186 HG2 GLN 20 HG2 GLN 20 8.910 8.308 -7.815 187 HG3 GLN 20 HG1 GLN 20 7.765 9.200 -8.816 188 HE21 GLN 20 HE21 GLN 20 8.539 10.507 -10.474 189 HE22 GLN 20 HE22 GLN 20 10.150 10.355 -11.084 190 H VAL 21 HN VAL 21 9.180 10.473 -4.169 191 HA VAL 21 HA VAL 21 8.636 13.217 -3.691 192 HB VAL 21 HB VAL 21 9.038 10.969 -1.703 193 HG11 VAL 21 HG11 VAL 21 9.348 13.140 -0.640 194 HG12 VAL 21 HG12 VAL 21 7.834 12.400 -0.118 195 HG13 VAL 21 HG13 VAL 21 7.815 13.700 -1.310 196 HG21 VAL 21 HG21 VAL 21 6.524 12.141 -2.892 197 HG22 VAL 21 HG22 VAL 21 6.584 10.914 -1.627 198 HG23 VAL 21 HG23 VAL 21 7.199 10.549 -3.239 199 H LEU 22 HN LEU 22 11.314 11.089 -2.689 200 HA LEU 22 HA LEU 22 12.787 12.978 -1.255 201 HB2 LEU 22 HB2 LEU 22 13.759 10.632 -2.886 202 HB3 LEU 22 HB1 LEU 22 14.764 11.548 -1.779 203 HG LEU 22 HG LEU 22 12.337 9.921 -1.012 204 HD11 LEU 22 HD11 LEU 22 14.230 8.538 -1.667 205 HD12 LEU 22 HD12 LEU 22 13.957 8.450 0.073 206 HD13 LEU 22 HD13 LEU 22 15.277 9.431 -0.564 207 HD21 LEU 22 HD21 LEU 22 12.582 11.829 0.456 208 HD22 LEU 22 HD22 LEU 22 14.297 11.480 0.671 209 HD23 LEU 22 HD23 LEU 22 13.084 10.365 1.299 210 H GLY 23 HN GLY 23 12.845 12.176 -4.697 211 HA2 GLY 23 HA2 GLY 23 14.913 13.959 -5.422 212 HA3 GLY 23 HA1 GLY 23 13.700 13.294 -6.506 213 H ALA 24 HN ALA 24 11.386 14.323 -5.394 214 HA ALA 24 HA ALA 24 11.326 16.909 -6.515 215 HB1 ALA 24 HB1 ALA 24 9.033 17.015 -5.712 216 HB2 ALA 24 HB2 ALA 24 9.318 15.619 -4.672 217 HB3 ALA 24 HB3 ALA 24 9.368 15.438 -6.425 218 H LYS 25 HN LYS 25 11.602 15.766 -3.202 219 HA LYS 25 HA LYS 25 11.375 18.333 -1.991 220 HB2 LYS 25 HB2 LYS 25 12.540 15.730 -1.006 221 HB3 LYS 25 HB1 LYS 25 12.446 17.175 -0.014 222 HG2 LYS 25 HG2 LYS 25 10.067 15.824 -1.264 223 HG3 LYS 25 HG1 LYS 25 10.625 15.537 0.384 224 HD2 LYS 25 HD2 LYS 25 9.708 18.185 -0.743 225 HD3 LYS 25 HD1 LYS 25 8.779 17.139 0.331 226 HE2 LYS 25 HE2 LYS 25 11.375 18.536 0.972 227 HE3 LYS 25 HE1 LYS 25 9.780 18.942 1.598 228 HZ1 LYS 25 HZ1 LYS 25 10.940 17.697 3.240 229 HZ2 LYS 25 HZ2 LYS 25 11.335 16.476 2.142 230 HZ3 LYS 25 HZ3 LYS 25 9.725 16.689 2.619 231 H GLY 26 HN GLY 26 13.990 16.496 -3.369 232 HA2 GLY 26 HA2 GLY 26 16.105 17.248 -3.982 233 HA3 GLY 26 HA1 GLY 26 15.773 18.770 -3.165 234 H GLY 27 HN GLY 27 15.095 15.956 -1.378 235 HA2 GLY 27 HA2 GLY 27 17.145 16.711 0.535 236 HA3 GLY 27 HA1 GLY 27 15.843 15.561 0.798 237 HA PRO 28 HA PRO 28 20.067 13.452 0.250 238 HB2 PRO 28 HB2 PRO 28 19.019 12.079 2.670 239 HB3 PRO 28 HB1 PRO 28 20.652 12.659 2.325 240 HG2 PRO 28 HG2 PRO 28 19.088 13.973 4.024 241 HG3 PRO 28 HG1 PRO 28 20.132 14.853 2.892 242 HD2 PRO 28 HD2 PRO 28 17.185 14.354 2.758 243 HD3 PRO 28 HD1 PRO 28 18.101 15.817 2.338 244 H LEU 29 HN LEU 29 19.911 11.985 -1.297 245 HA LEU 29 HA LEU 29 17.641 10.271 -1.601 246 HB2 LEU 29 HB2 LEU 29 20.322 10.236 -2.992 247 HB3 LEU 29 HB1 LEU 29 18.917 9.312 -3.483 248 HG LEU 29 HG LEU 29 19.105 12.324 -3.467 249 HD11 LEU 29 HD11 LEU 29 19.128 10.352 -5.746 250 HD12 LEU 29 HD12 LEU 29 20.492 11.326 -5.198 251 HD13 LEU 29 HD13 LEU 29 19.079 12.107 -5.906 252 HD21 LEU 29 HD21 LEU 29 16.967 12.204 -4.693 253 HD22 LEU 29 HD22 LEU 29 16.841 11.598 -3.043 254 HD23 LEU 29 HD23 LEU 29 16.920 10.467 -4.393 255 H VAL 30 HN VAL 30 17.333 8.642 -0.266 256 HA VAL 30 HA VAL 30 19.642 7.029 0.562 257 HB VAL 30 HB VAL 30 18.322 6.460 2.608 258 HG11 VAL 30 HG11 VAL 30 18.943 9.384 2.202 259 HG12 VAL 30 HG12 VAL 30 20.076 8.136 2.718 260 HG13 VAL 30 HG13 VAL 30 18.731 8.593 3.763 261 HG21 VAL 30 HG21 VAL 30 16.100 6.985 1.761 262 HG22 VAL 30 HG22 VAL 30 16.532 8.691 1.653 263 HG23 VAL 30 HG23 VAL 30 16.442 7.903 3.228 264 H ALA 31 HN ALA 31 19.365 4.789 0.663 265 HA ALA 31 HA ALA 31 17.449 3.756 -1.226 266 HB1 ALA 31 HB1 ALA 31 19.517 2.311 0.426 267 HB2 ALA 31 HB2 ALA 31 19.748 2.930 -1.209 268 HB3 ALA 31 HB3 ALA 31 18.596 1.628 -0.914 269 H VAL 32 HN VAL 32 15.591 2.761 -0.791 270 HA VAL 32 HA VAL 32 14.822 2.524 2.022 271 HB VAL 32 HB VAL 32 13.358 3.892 0.629 272 HG11 VAL 32 HG11 VAL 32 12.900 1.388 -0.984 273 HG12 VAL 32 HG12 VAL 32 13.748 2.837 -1.524 274 HG13 VAL 32 HG13 VAL 32 12.023 2.907 -1.168 275 HG21 VAL 32 HG21 VAL 32 12.360 2.686 2.486 276 HG22 VAL 32 HG22 VAL 32 12.068 1.294 1.444 277 HG23 VAL 32 HG23 VAL 32 11.222 2.812 1.145 278 H GLU 33 HN GLU 33 14.273 0.639 2.967 279 HA GLU 33 HA GLU 33 14.108 -1.760 1.265 280 HB2 GLU 33 HB2 GLU 33 15.044 -1.631 4.140 281 HB3 GLU 33 HB1 GLU 33 14.968 -3.066 3.131 282 HG2 GLU 33 HG2 GLU 33 16.619 -1.984 1.605 283 HG3 GLU 33 HG1 GLU 33 16.791 -0.703 2.805 284 H ILE 34 HN ILE 34 12.885 -3.569 2.796 285 HA ILE 34 HA ILE 34 10.252 -2.450 2.928 286 HB ILE 34 HB ILE 34 10.693 -4.755 2.098 287 HG12 ILE 34 HG12 ILE 34 8.744 -5.807 3.242 288 HG13 ILE 34 HG11 ILE 34 8.773 -4.500 4.419 289 HG21 ILE 34 HG21 ILE 34 12.346 -5.473 3.721 290 HG22 ILE 34 HG22 ILE 34 10.974 -6.578 3.709 291 HG23 ILE 34 HG23 ILE 34 11.143 -5.397 5.007 292 HD11 ILE 34 HD11 ILE 34 7.071 -4.162 2.701 293 HD12 ILE 34 HD12 ILE 34 8.325 -4.171 1.462 294 HD13 ILE 34 HD13 ILE 34 8.290 -2.890 2.673 295 H ASP 35 HN ASP 35 12.675 -3.370 5.279 296 HA ASP 35 HA ASP 35 10.810 -3.078 7.496 297 HB2 ASP 35 HB2 ASP 35 12.437 -4.927 7.507 298 HB3 ASP 35 HB1 ASP 35 13.759 -3.767 7.471 299 H SER 36 HN SER 36 12.485 -0.987 5.640 300 HA SER 36 HA SER 36 13.827 0.675 7.466 301 HB2 SER 36 HB2 SER 36 12.532 1.400 4.828 302 HB3 SER 36 HB1 SER 36 13.717 2.378 5.694 303 HG SER 36 HG SER 36 15.172 0.576 5.482 304 H ARG 37 HN ARG 37 13.176 2.234 8.803 305 HA ARG 37 HA ARG 37 10.324 2.801 9.045 306 HB2 ARG 37 HB2 ARG 37 12.641 3.733 10.756 307 HB3 ARG 37 HB1 ARG 37 10.933 3.917 11.134 308 HG2 ARG 37 HG2 ARG 37 10.685 1.513 11.319 309 HG3 ARG 37 HG1 ARG 37 12.374 1.288 10.861 310 HD2 ARG 37 HD2 ARG 37 11.329 2.650 13.338 311 HD3 ARG 37 HD1 ARG 37 12.158 1.096 13.255 312 HE ARG 37 HE ARG 37 13.626 3.404 12.252 313 HH11 ARG 37 HH11 ARG 37 13.046 1.211 14.920 314 HH12 ARG 37 HH12 ARG 37 14.524 1.613 15.729 315 HH21 ARG 37 HH21 ARG 37 15.557 3.929 13.302 316 HH22 ARG 37 HH22 ARG 37 15.963 3.156 14.805 317 H PHE 38 HN PHE 38 9.429 4.734 8.558 318 HA PHE 38 HA PHE 38 10.689 6.188 6.517 319 HB2 PHE 38 HB2 PHE 38 8.157 6.639 8.062 320 HB3 PHE 38 HB1 PHE 38 8.694 7.765 6.818 321 HD1 PHE 38 HD1 PHE 38 7.095 4.633 7.505 322 HD2 PHE 38 HD2 PHE 38 9.013 6.916 4.471 323 HE1 PHE 38 HE1 PHE 38 6.075 3.197 5.789 324 HE2 PHE 38 HE2 PHE 38 7.996 5.485 2.748 325 HZ PHE 38 HZ PHE 38 6.543 3.643 3.381 326 H SER 39 HN SER 39 10.522 6.799 9.957 327 HA SER 39 HA SER 39 11.321 9.497 9.895 328 HB2 SER 39 HB2 SER 39 11.934 7.420 12.010 329 HB3 SER 39 HB1 SER 39 12.006 9.168 12.224 330 HG SER 39 HG SER 39 9.721 9.175 11.675 331 H ASP 40 HN ASP 40 13.196 6.484 10.033 332 HA ASP 40 HA ASP 40 15.742 7.783 10.032 333 HB2 ASP 40 HB2 ASP 40 15.002 4.931 9.326 334 HB3 ASP 40 HB1 ASP 40 16.643 5.520 9.559 335 H LEU 41 HN LEU 41 13.535 6.596 7.619 336 HA LEU 41 HA LEU 41 15.301 6.669 5.410 337 HB2 LEU 41 HB2 LEU 41 13.084 5.455 5.661 338 HB3 LEU 41 HB1 LEU 41 12.310 6.999 5.368 339 HG LEU 41 HG LEU 41 13.383 7.090 3.142 340 HD11 LEU 41 HD11 LEU 41 14.312 4.303 3.833 341 HD12 LEU 41 HD12 LEU 41 15.343 5.717 3.608 342 HD13 LEU 41 HD13 LEU 41 14.432 5.066 2.248 343 HD21 LEU 41 HD21 LEU 41 11.992 5.325 2.147 344 HD22 LEU 41 HD22 LEU 41 11.135 6.229 3.396 345 HD23 LEU 41 HD23 LEU 41 11.768 4.622 3.749 346 H GLY 42 HN GLY 42 13.633 9.106 7.167 347 HA2 GLY 42 HA2 GLY 42 14.260 11.387 6.981 348 HA3 GLY 42 HA1 GLY 42 14.702 11.102 5.307 349 H LEU 43 HN LEU 43 11.715 9.781 6.326 350 HA LEU 43 HA LEU 43 10.297 11.889 4.845 351 HB2 LEU 43 HB2 LEU 43 9.659 8.992 5.362 352 HB3 LEU 43 HB1 LEU 43 8.421 10.116 4.850 353 HG LEU 43 HG LEU 43 9.214 8.844 2.957 354 HD11 LEU 43 HD11 LEU 43 9.888 10.658 1.460 355 HD12 LEU 43 HD12 LEU 43 10.185 11.692 2.857 356 HD13 LEU 43 HD13 LEU 43 8.552 11.121 2.513 357 HD21 LEU 43 HD21 LEU 43 11.442 8.283 3.790 358 HD22 LEU 43 HD22 LEU 43 11.950 9.955 3.550 359 HD23 LEU 43 HD23 LEU 43 11.504 8.960 2.163 360 H SER 44 HN SER 44 9.478 13.374 6.164 361 HA SER 44 HA SER 44 8.802 12.811 8.894 362 HB2 SER 44 HB2 SER 44 9.700 15.006 8.227 363 HB3 SER 44 HB1 SER 44 8.296 15.276 7.198 364 HG SER 44 HG SER 44 8.411 16.144 9.513 365 H SER 45 HN SER 45 6.519 13.696 9.642 366 HA SER 45 HA SER 45 4.570 11.959 8.610 367 HB2 SER 45 HB2 SER 45 4.185 14.478 10.249 368 HB3 SER 45 HB1 SER 45 2.978 13.212 10.019 369 HG SER 45 HG SER 45 5.539 12.608 11.051 370 H LEU 46 HN LEU 46 5.310 15.322 7.923 371 HA LEU 46 HA LEU 46 3.051 15.848 6.293 372 HB2 LEU 46 HB2 LEU 46 5.774 17.150 6.386 373 HB3 LEU 46 HB1 LEU 46 4.443 17.744 5.415 374 HG LEU 46 HG LEU 46 3.140 17.962 7.599 375 HD11 LEU 46 HD11 LEU 46 4.492 18.235 9.624 376 HD12 LEU 46 HD12 LEU 46 5.911 17.668 8.746 377 HD13 LEU 46 HD13 LEU 46 4.548 16.583 9.014 378 HD21 LEU 46 HD21 LEU 46 4.010 19.863 6.369 379 HD22 LEU 46 HD22 LEU 46 5.581 19.668 7.145 380 HD23 LEU 46 HD23 LEU 46 4.172 20.120 8.104 381 H ASP 47 HN ASP 47 6.290 14.633 5.670 382 HA ASP 47 HA ASP 47 6.067 14.567 2.842 383 HB2 ASP 47 HB2 ASP 47 7.841 12.958 4.690 384 HB3 ASP 47 HB1 ASP 47 7.996 13.004 2.938 385 H LEU 48 HN LEU 48 5.371 12.280 5.419 386 HA LEU 48 HA LEU 48 4.692 10.073 3.835 387 HB2 LEU 48 HB2 LEU 48 3.787 10.967 6.557 388 HB3 LEU 48 HB1 LEU 48 3.169 9.501 5.819 389 HG LEU 48 HG LEU 48 6.082 10.041 6.407 390 HD11 LEU 48 HD11 LEU 48 4.096 8.268 7.827 391 HD12 LEU 48 HD12 LEU 48 4.770 9.774 8.451 392 HD13 LEU 48 HD13 LEU 48 5.820 8.383 8.179 393 HD21 LEU 48 HD21 LEU 48 6.325 7.632 5.910 394 HD22 LEU 48 HD22 LEU 48 5.810 8.572 4.512 395 HD23 LEU 48 HD23 LEU 48 4.638 7.594 5.395 396 H ALA 49 HN ALA 49 2.697 12.760 5.016 397 HA ALA 49 HA ALA 49 0.239 11.955 4.000 398 HB1 ALA 49 HB1 ALA 49 0.560 13.894 5.480 399 HB2 ALA 49 HB2 ALA 49 -0.393 14.299 4.053 400 HB3 ALA 49 HB3 ALA 49 1.302 14.776 4.146 401 H THR 50 HN THR 50 2.782 13.867 2.433 402 HA THR 50 HA THR 50 1.491 14.120 -0.065 403 HB THR 50 HB THR 50 4.460 14.182 0.516 404 HG1 THR 50 HG1 THR 50 4.036 16.004 1.498 405 HG21 THR 50 HG21 THR 50 2.841 15.398 -1.729 406 HG22 THR 50 HG22 THR 50 3.952 14.036 -1.869 407 HG23 THR 50 HG23 THR 50 4.568 15.636 -1.463 408 H LEU 51 HN LEU 51 3.882 11.801 1.162 409 HA LEU 51 HA LEU 51 4.285 10.346 -1.196 410 HB2 LEU 51 HB2 LEU 51 5.736 10.092 0.715 411 HB3 LEU 51 HB1 LEU 51 4.413 9.491 1.693 412 HG LEU 51 HG LEU 51 4.290 7.482 0.245 413 HD11 LEU 51 HD11 LEU 51 6.144 7.018 -1.290 414 HD12 LEU 51 HD12 LEU 51 6.767 8.646 -1.019 415 HD13 LEU 51 HD13 LEU 51 5.202 8.419 -1.798 416 HD21 LEU 51 HD21 LEU 51 6.313 6.428 1.099 417 HD22 LEU 51 HD22 LEU 51 5.571 7.455 2.325 418 HD23 LEU 51 HD23 LEU 51 7.000 8.012 1.455 419 H ILE 52 HN ILE 52 1.995 9.795 1.464 420 HA ILE 52 HA ILE 52 0.834 7.477 0.348 421 HB ILE 52 HB ILE 52 -0.307 9.424 2.360 422 HG12 ILE 52 HG12 ILE 52 1.088 6.758 2.704 423 HG13 ILE 52 HG11 ILE 52 1.793 8.332 3.051 424 HG21 ILE 52 HG21 ILE 52 -1.211 6.637 1.649 425 HG22 ILE 52 HG22 ILE 52 -2.084 8.131 1.310 426 HG23 ILE 52 HG23 ILE 52 -1.835 7.613 2.978 427 HD11 ILE 52 HD11 ILE 52 1.078 7.208 5.077 428 HD12 ILE 52 HD12 ILE 52 -0.570 7.109 4.457 429 HD13 ILE 52 HD13 ILE 52 0.146 8.682 4.814 430 H SER 53 HN SER 53 0.108 10.913 -0.006 431 HA SER 53 HA SER 53 -2.299 10.641 -1.442 432 HB2 SER 53 HB2 SER 53 -1.523 12.798 -0.544 433 HB3 SER 53 HB1 SER 53 -0.177 12.793 -1.680 434 HG SER 53 HG SER 53 -2.653 13.680 -2.060 435 H ASN 54 HN ASN 54 1.076 10.547 -2.442 436 HA ASN 54 HA ASN 54 0.549 10.422 -5.241 437 HB2 ASN 54 HB2 ASN 54 2.954 9.957 -3.519 438 HB3 ASN 54 HB1 ASN 54 2.984 9.425 -5.197 439 HD21 ASN 54 HD21 ASN 54 2.695 12.201 -3.077 440 HD22 ASN 54 HD22 ASN 54 3.112 13.382 -4.272 441 H LEU 55 HN LEU 55 0.505 8.115 -2.691 442 HA LEU 55 HA LEU 55 0.562 5.845 -4.515 443 HB2 LEU 55 HB2 LEU 55 1.614 5.789 -2.230 444 HB3 LEU 55 HB1 LEU 55 0.003 5.884 -1.547 445 HG LEU 55 HG LEU 55 -0.547 3.738 -2.712 446 HD11 LEU 55 HD11 LEU 55 2.406 3.781 -3.313 447 HD12 LEU 55 HD12 LEU 55 1.083 3.772 -4.478 448 HD13 LEU 55 HD13 LEU 55 1.374 2.361 -3.463 449 HD21 LEU 55 HD21 LEU 55 0.692 2.329 -1.136 450 HD22 LEU 55 HD22 LEU 55 0.053 3.775 -0.355 451 HD23 LEU 55 HD23 LEU 55 1.764 3.682 -0.774 452 H GLU 56 HN GLU 56 -1.651 7.841 -2.764 453 HA GLU 56 HA GLU 56 -3.978 6.318 -2.799 454 HB2 GLU 56 HB2 GLU 56 -3.662 8.452 -1.578 455 HB3 GLU 56 HB1 GLU 56 -3.688 9.316 -3.104 456 HG2 GLU 56 HG2 GLU 56 -6.009 7.628 -2.273 457 HG3 GLU 56 HG1 GLU 56 -5.803 9.256 -1.634 458 H ALA 57 HN ALA 57 -2.622 8.475 -5.256 459 HA ALA 57 HA ALA 57 -4.790 8.258 -7.063 460 HB1 ALA 57 HB1 ALA 57 -3.300 9.286 -8.687 461 HB2 ALA 57 HB2 ALA 57 -1.927 8.996 -7.621 462 HB3 ALA 57 HB3 ALA 57 -3.204 10.106 -7.129 463 H VAL 58 HN VAL 58 -2.492 5.987 -6.179 464 HA VAL 58 HA VAL 58 -2.362 4.664 -8.760 465 HB VAL 58 HB VAL 58 -1.281 3.795 -6.071 466 HG11 VAL 58 HG11 VAL 58 -0.778 2.668 -8.823 467 HG12 VAL 58 HG12 VAL 58 -1.684 1.886 -7.528 468 HG13 VAL 58 HG13 VAL 58 0.045 2.175 -7.343 469 HG21 VAL 58 HG21 VAL 58 0.899 4.458 -6.964 470 HG22 VAL 58 HG22 VAL 58 -0.212 5.826 -6.898 471 HG23 VAL 58 HG23 VAL 58 0.120 5.033 -8.438 472 H TYR 59 HN TYR 59 -3.693 4.009 -5.522 473 HA TYR 59 HA TYR 59 -5.074 1.659 -6.580 474 HB2 TYR 59 HB2 TYR 59 -4.736 2.683 -3.760 475 HB3 TYR 59 HB1 TYR 59 -5.695 1.271 -4.178 476 HD1 TYR 59 HD1 TYR 59 -4.567 -0.751 -5.100 477 HD2 TYR 59 HD2 TYR 59 -2.374 2.571 -3.602 478 HE1 TYR 59 HE1 TYR 59 -2.550 -2.151 -4.964 479 HE2 TYR 59 HE2 TYR 59 -0.353 1.179 -3.459 480 HH TYR 59 HH TYR 59 -0.083 -1.829 -4.953 481 H GLY 60 HN GLY 60 -5.753 4.882 -5.412 482 HA2 GLY 60 HA2 GLY 60 -7.764 6.061 -5.594 483 HA3 GLY 60 HA1 GLY 60 -8.571 4.569 -6.063 484 H THR 61 HN THR 61 -6.663 4.019 -3.423 485 HA THR 61 HA THR 61 -8.946 3.643 -1.712 486 HB THR 61 HB THR 61 -7.179 2.760 -0.128 487 HG1 THR 61 HG1 THR 61 -5.479 4.060 -1.203 488 HG21 THR 61 HG21 THR 61 -8.412 1.257 -1.596 489 HG22 THR 61 HG22 THR 61 -6.730 0.741 -1.480 490 HG23 THR 61 HG23 THR 61 -7.293 1.597 -2.914 491 H ASP 62 HN ASP 62 -9.491 4.799 0.056 492 HA ASP 62 HA ASP 62 -8.538 7.468 0.295 493 HB2 ASP 62 HB2 ASP 62 -10.405 5.851 2.037 494 HB3 ASP 62 HB1 ASP 62 -10.082 7.564 2.271 495 HA PRO 63 HA PRO 63 -5.007 6.554 2.933 496 HB2 PRO 63 HB2 PRO 63 -5.240 9.495 3.318 497 HB3 PRO 63 HB1 PRO 63 -3.827 8.526 2.886 498 HG2 PRO 63 HG2 PRO 63 -5.075 10.006 1.058 499 HG3 PRO 63 HG1 PRO 63 -4.431 8.403 0.651 500 HD2 PRO 63 HD2 PRO 63 -7.250 9.243 1.148 501 HD3 PRO 63 HD1 PRO 63 -6.610 8.053 -0.002 502 H PHE 64 HN PHE 64 -5.438 5.697 4.851 503 HA PHE 64 HA PHE 64 -7.433 6.787 6.611 504 HB2 PHE 64 HB2 PHE 64 -6.770 4.920 8.112 505 HB3 PHE 64 HB1 PHE 64 -7.182 4.383 6.488 506 HD1 PHE 64 HD1 PHE 64 -4.507 4.804 8.936 507 HD2 PHE 64 HD2 PHE 64 -5.484 3.497 5.001 508 HE1 PHE 64 HE1 PHE 64 -2.340 3.654 8.778 509 HE2 PHE 64 HE2 PHE 64 -3.320 2.344 4.841 510 HZ PHE 64 HZ PHE 64 -1.747 2.418 6.718 511 H ALA 65 HN ALA 65 -4.322 7.627 5.984 512 HA ALA 65 HA ALA 65 -3.182 8.010 8.521 513 HB1 ALA 65 HB1 ALA 65 -1.665 9.562 7.393 514 HB2 ALA 65 HB2 ALA 65 -2.709 9.548 5.971 515 HB3 ALA 65 HB3 ALA 65 -1.876 8.076 6.468 516 H ASP 66 HN ASP 66 -5.144 10.148 6.481 517 HA ASP 66 HA ASP 66 -5.125 12.278 8.421 518 HB2 ASP 66 HB2 ASP 66 -6.629 11.860 5.838 519 HB3 ASP 66 HB1 ASP 66 -6.893 13.261 6.871 520 H ALA 67 HN ALA 67 -6.910 9.448 7.912 521 HA ALA 67 HA ALA 67 -9.356 10.427 9.104 522 HB1 ALA 67 HB1 ALA 67 -10.214 8.191 8.713 523 HB2 ALA 67 HB2 ALA 67 -8.603 7.629 8.271 524 HB3 ALA 67 HB3 ALA 67 -9.434 8.809 7.258 525 H VAL 68 HN VAL 68 -7.037 7.821 9.889 526 HA VAL 68 HA VAL 68 -8.089 7.845 12.624 527 HB VAL 68 HB VAL 68 -6.292 5.791 11.330 528 HG11 VAL 68 HG11 VAL 68 -6.959 4.380 13.234 529 HG12 VAL 68 HG12 VAL 68 -7.839 5.746 13.920 530 HG13 VAL 68 HG13 VAL 68 -6.086 5.825 13.747 531 HG21 VAL 68 HG21 VAL 68 -8.299 4.391 11.180 532 HG22 VAL 68 HG22 VAL 68 -8.458 5.860 10.219 533 HG23 VAL 68 HG23 VAL 68 -9.275 5.733 11.776 534 H ALA 69 HN ALA 69 -4.864 7.172 11.247 535 HA ALA 69 HA ALA 69 -3.642 9.208 12.893 536 HB1 ALA 69 HB1 ALA 69 -3.914 7.438 14.521 537 HB2 ALA 69 HB2 ALA 69 -2.206 7.605 14.109 538 HB3 ALA 69 HB3 ALA 69 -3.155 6.282 13.428 539 H ILE 70 HN ILE 70 -1.552 9.694 12.270 540 HA ILE 70 HA ILE 70 -0.705 8.556 9.716 541 HB ILE 70 HB ILE 70 -0.801 10.985 9.853 542 HG12 ILE 70 HG12 ILE 70 1.564 11.531 9.200 543 HG13 ILE 70 HG11 ILE 70 2.021 9.906 9.696 544 HG21 ILE 70 HG21 ILE 70 -0.441 11.297 12.221 545 HG22 ILE 70 HG22 ILE 70 0.733 12.246 11.310 546 HG23 ILE 70 HG23 ILE 70 1.223 10.734 12.074 547 HD11 ILE 70 HD11 ILE 70 0.519 8.981 8.002 548 HD12 ILE 70 HD12 ILE 70 1.746 10.035 7.301 549 HD13 ILE 70 HD13 ILE 70 0.093 10.618 7.499 550 H THR 71 HN THR 71 0.064 8.481 13.059 551 HA THR 71 HA THR 71 2.802 7.680 12.769 552 HB THR 71 HB THR 71 2.499 7.054 15.241 553 HG1 THR 71 HG1 THR 71 0.583 7.380 16.116 554 HG21 THR 71 HG21 THR 71 3.541 9.141 14.505 555 HG22 THR 71 HG22 THR 71 2.549 9.404 15.938 556 HG23 THR 71 HG23 THR 71 1.952 9.890 14.352 557 H SER 72 HN SER 72 0.003 6.129 12.057 558 HA SER 72 HA SER 72 0.635 3.494 12.977 559 HB2 SER 72 HB2 SER 72 -1.216 4.331 10.731 560 HB3 SER 72 HB1 SER 72 -1.224 2.784 11.582 561 HG SER 72 HG SER 72 -1.486 4.355 13.517 562 H ILE 73 HN ILE 73 1.764 5.506 10.504 563 HA ILE 73 HA ILE 73 2.771 3.251 8.925 564 HB ILE 73 HB ILE 73 2.887 6.210 8.295 565 HG12 ILE 73 HG12 ILE 73 0.574 5.397 8.298 566 HG13 ILE 73 HG11 ILE 73 1.110 5.740 6.656 567 HG21 ILE 73 HG21 ILE 73 3.470 5.464 6.026 568 HG22 ILE 73 HG22 ILE 73 3.508 3.796 6.598 569 HG23 ILE 73 HG23 ILE 73 4.669 4.968 7.220 570 HD11 ILE 73 HD11 ILE 73 0.858 3.034 7.944 571 HD12 ILE 73 HD12 ILE 73 1.525 3.326 6.337 572 HD13 ILE 73 HD13 ILE 73 -0.161 3.711 6.676 573 H VAL 74 HN VAL 74 4.376 2.539 10.309 574 HA VAL 74 HA VAL 74 6.478 4.436 11.060 575 HB VAL 74 HB VAL 74 6.072 1.569 11.938 576 HG11 VAL 74 HG11 VAL 74 7.980 3.673 12.950 577 HG12 VAL 74 HG12 VAL 74 8.412 2.236 12.026 578 HG13 VAL 74 HG13 VAL 74 7.747 2.072 13.650 579 HG21 VAL 74 HG21 VAL 74 5.478 4.164 13.358 580 HG22 VAL 74 HG22 VAL 74 5.389 2.561 14.089 581 HG23 VAL 74 HG23 VAL 74 4.297 2.992 12.773 582 H THR 75 HN THR 75 6.241 1.111 9.797 583 HA THR 75 HA THR 75 8.817 1.530 8.453 584 HB THR 75 HB THR 75 8.812 -0.943 8.129 585 HG1 THR 75 HG1 THR 75 6.402 -0.705 9.640 586 HG21 THR 75 HG21 THR 75 8.516 0.008 10.980 587 HG22 THR 75 HG22 THR 75 9.997 0.015 10.021 588 HG23 THR 75 HG23 THR 75 9.254 -1.516 10.485 589 H VAL 76 HN VAL 76 9.043 0.631 6.251 590 HA VAL 76 HA VAL 76 7.045 1.538 4.496 591 HB VAL 76 HB VAL 76 9.244 -0.471 3.947 592 HG11 VAL 76 HG11 VAL 76 7.621 1.220 2.041 593 HG12 VAL 76 HG12 VAL 76 7.515 -0.531 2.227 594 HG13 VAL 76 HG13 VAL 76 8.992 0.201 1.600 595 HG21 VAL 76 HG21 VAL 76 9.172 2.530 3.636 596 HG22 VAL 76 HG22 VAL 76 10.467 1.483 3.059 597 HG23 VAL 76 HG23 VAL 76 10.144 1.614 4.787 598 H ALA 77 HN ALA 77 7.724 -1.604 5.884 599 HA ALA 77 HA ALA 77 5.971 -3.205 4.444 600 HB1 ALA 77 HB1 ALA 77 6.010 -4.708 6.354 601 HB2 ALA 77 HB2 ALA 77 6.655 -3.420 7.373 602 HB3 ALA 77 HB3 ALA 77 7.621 -4.062 6.045 603 H ASP 78 HN ASP 78 5.327 -0.986 7.109 604 HA ASP 78 HA ASP 78 2.683 -1.861 7.641 605 HB2 ASP 78 HB2 ASP 78 3.972 0.830 8.132 606 HB3 ASP 78 HB1 ASP 78 2.390 0.360 8.741 607 H LEU 79 HN LEU 79 3.980 0.784 5.693 608 HA LEU 79 HA LEU 79 1.530 1.787 4.755 609 HB2 LEU 79 HB2 LEU 79 3.684 2.984 4.592 610 HB3 LEU 79 HB1 LEU 79 4.237 1.814 3.410 611 HG LEU 79 HG LEU 79 2.385 2.552 1.901 612 HD11 LEU 79 HD11 LEU 79 0.900 3.467 3.613 613 HD12 LEU 79 HD12 LEU 79 1.264 4.657 2.365 614 HD13 LEU 79 HD13 LEU 79 2.061 4.754 3.936 615 HD21 LEU 79 HD21 LEU 79 3.464 4.664 1.259 616 HD22 LEU 79 HD22 LEU 79 4.635 3.388 1.591 617 HD23 LEU 79 HD23 LEU 79 4.353 4.658 2.783 618 H ALA 80 HN ALA 80 3.768 -0.591 3.408 619 HA ALA 80 HA ALA 80 2.377 -1.072 1.015 620 HB1 ALA 80 HB1 ALA 80 4.711 -1.718 1.369 621 HB2 ALA 80 HB2 ALA 80 3.732 -3.090 0.844 622 HB3 ALA 80 HB3 ALA 80 4.195 -2.932 2.539 623 H ARG 81 HN ARG 81 2.379 -2.912 4.076 624 HA ARG 81 HA ARG 81 0.613 -4.918 3.248 625 HB2 ARG 81 HB2 ARG 81 2.022 -5.091 5.254 626 HB3 ARG 81 HB1 ARG 81 1.063 -3.843 6.037 627 HG2 ARG 81 HG2 ARG 81 0.397 -5.989 6.869 628 HG3 ARG 81 HG1 ARG 81 -0.912 -5.318 5.895 629 HD2 ARG 81 HD2 ARG 81 -0.592 -7.690 5.424 630 HD3 ARG 81 HD1 ARG 81 -0.224 -6.708 4.008 631 HE ARG 81 HE ARG 81 2.116 -7.211 5.531 632 HH11 ARG 81 HH11 ARG 81 -0.094 -8.756 3.293 633 HH12 ARG 81 HH12 ARG 81 1.103 -9.860 2.690 634 HH21 ARG 81 HH21 ARG 81 3.676 -8.653 4.741 635 HH22 ARG 81 HH22 ARG 81 3.244 -9.797 3.510 636 H ALA 82 HN ALA 82 -0.022 -1.803 4.795 637 HA ALA 82 HA ALA 82 -2.714 -2.228 5.429 638 HB1 ALA 82 HB1 ALA 82 -1.372 0.381 4.746 639 HB2 ALA 82 HB2 ALA 82 -1.369 -0.392 6.332 640 HB3 ALA 82 HB3 ALA 82 -2.883 0.183 5.633 641 H TYR 83 HN TYR 83 -1.247 -0.867 2.491 642 HA TYR 83 HA TYR 83 -3.893 -0.555 1.328 643 HB2 TYR 83 HB2 TYR 83 -1.157 0.273 0.370 644 HB3 TYR 83 HB1 TYR 83 -2.619 0.475 -0.594 645 HD1 TYR 83 HD1 TYR 83 -0.571 1.887 1.977 646 HD2 TYR 83 HD2 TYR 83 -4.530 1.834 0.425 647 HE1 TYR 83 HE1 TYR 83 -1.057 3.991 3.155 648 HE2 TYR 83 HE2 TYR 83 -5.026 3.940 1.594 649 HH TYR 83 HH TYR 83 -2.616 5.880 2.987 650 H ALA 84 HN ALA 84 -1.493 -2.923 1.420 651 HA ALA 84 HA ALA 84 -2.211 -4.144 -1.102 652 HB1 ALA 84 HB1 ALA 84 -0.656 -5.277 1.225 653 HB2 ALA 84 HB2 ALA 84 0.033 -4.475 -0.186 654 HB3 ALA 84 HB3 ALA 84 -0.812 -6.011 -0.370 655 H GLN 85 HN GLN 85 -3.110 -4.344 2.257 656 HA GLN 85 HA GLN 85 -4.785 -6.655 1.961 657 HB2 GLN 85 HB2 GLN 85 -3.750 -6.042 4.119 658 HB3 GLN 85 HB1 GLN 85 -4.694 -4.560 4.146 659 HG2 GLN 85 HG2 GLN 85 -5.661 -6.234 5.605 660 HG3 GLN 85 HG1 GLN 85 -6.750 -5.860 4.271 661 HE21 GLN 85 HE21 GLN 85 -7.114 -7.393 2.683 662 HE22 GLN 85 HE22 GLN 85 -6.691 -9.059 2.895 663 H GLN 86 HN GLN 86 -5.060 -3.335 1.281 664 HA GLN 86 HA GLN 86 -7.945 -3.238 1.407 665 HB2 GLN 86 HB2 GLN 86 -6.260 -1.283 1.728 666 HB3 GLN 86 HB1 GLN 86 -6.207 -1.247 -0.027 667 HG2 GLN 86 HG2 GLN 86 -7.771 0.390 0.743 668 HG3 GLN 86 HG1 GLN 86 -8.653 -0.909 -0.058 669 HE21 GLN 86 HE21 GLN 86 -10.035 -2.195 1.132 670 HE22 GLN 86 HE22 GLN 86 -10.477 -1.837 2.764 671 H GLY 87 HN GLY 87 -9.228 -2.758 -0.578 672 HA2 GLY 87 HA2 GLY 87 -9.584 -3.015 -2.913 673 HA3 GLY 87 HA1 GLY 87 -8.069 -3.909 -3.016 674 H VAL 88 HN VAL 88 -8.946 -5.323 -0.497 675 HA VAL 88 HA VAL 88 -11.048 -7.072 -1.574 676 HB VAL 88 HB VAL 88 -9.881 -9.019 -0.536 677 HG11 VAL 88 HG11 VAL 88 -8.271 -7.554 -2.621 678 HG12 VAL 88 HG12 VAL 88 -9.648 -8.614 -2.921 679 HG13 VAL 88 HG13 VAL 88 -8.154 -9.275 -2.255 680 HG21 VAL 88 HG21 VAL 88 -7.526 -8.834 0.082 681 HG22 VAL 88 HG22 VAL 88 -8.537 -7.808 1.101 682 HG23 VAL 88 HG23 VAL 88 -7.585 -7.093 -0.201 683 HA PRO 89 HA PRO 89 -13.138 -6.465 2.266 684 HB2 PRO 89 HB2 PRO 89 -13.816 -9.111 2.848 685 HB3 PRO 89 HB1 PRO 89 -14.765 -7.992 1.867 686 HG2 PRO 89 HG2 PRO 89 -12.865 -10.125 1.010 687 HG3 PRO 89 HG1 PRO 89 -14.387 -9.607 0.262 688 HD2 PRO 89 HD2 PRO 89 -12.027 -8.898 -0.768 689 HD3 PRO 89 HD1 PRO 89 -13.399 -7.775 -0.770 690 H GLY 90 HN GLY 90 -11.805 -5.885 3.864 691 HA2 GLY 90 HA2 GLY 90 -10.653 -7.978 5.533 692 HA3 GLY 90 HA1 GLY 90 -9.523 -6.825 4.836 693 HA PRO 91 HA PRO 91 -10.290 -3.884 8.072 694 HB2 PRO 91 HB2 PRO 91 -10.963 -1.823 6.052 695 HB3 PRO 91 HB1 PRO 91 -9.703 -1.812 7.289 696 HG2 PRO 91 HG2 PRO 91 -9.097 -2.152 4.711 697 HG3 PRO 91 HG1 PRO 91 -8.225 -3.028 5.984 698 HD2 PRO 91 HD2 PRO 91 -10.380 -3.997 4.144 699 HD3 PRO 91 HD1 PRO 91 -8.914 -4.829 4.702 700 H SER 92 HN SER 92 -12.068 -3.939 9.278 701 HA SER 92 HA SER 92 -14.667 -4.283 8.202 702 HB2 SER 92 HB2 SER 92 -15.376 -4.045 10.606 703 HB3 SER 92 HB1 SER 92 -14.130 -5.263 10.334 704 HG SER 92 HG SER 92 -13.519 -2.599 11.077 705 HA PRO 93 HA PRO 93 -15.544 0.061 7.440 706 HB2 PRO 93 HB2 PRO 93 -18.292 -0.961 7.111 707 HB3 PRO 93 HB1 PRO 93 -17.285 -0.063 5.973 708 HG2 PRO 93 HG2 PRO 93 -17.823 -2.677 5.647 709 HG3 PRO 93 HG1 PRO 93 -16.275 -1.965 5.160 710 HD2 PRO 93 HD2 PRO 93 -16.933 -3.628 7.546 711 HD3 PRO 93 HD1 PRO 93 -15.460 -3.598 6.558 712 H ASP 94 HN ASP 94 -17.375 -2.098 9.509 713 HA ASP 94 HA ASP 94 -17.695 0.062 11.449 714 HB2 ASP 94 HB2 ASP 94 -19.801 0.028 10.188 715 HB3 ASP 94 HB1 ASP 94 -19.975 -1.694 10.507 716 HA PRO 95 HA PRO 95 -16.367 -3.605 13.694 717 HB2 PRO 95 HB2 PRO 95 -15.085 -2.338 15.670 718 HB3 PRO 95 HB1 PRO 95 -14.411 -2.422 14.038 719 HG2 PRO 95 HG2 PRO 95 -15.808 -0.165 15.400 720 HG3 PRO 95 HG1 PRO 95 -14.423 -0.125 14.297 721 HD2 PRO 95 HD2 PRO 95 -17.064 0.394 13.591 722 HD3 PRO 95 HD1 PRO 95 -15.764 -0.030 12.461 723 H LEU 96 HN LEU 96 -18.700 -1.310 14.495 724 HA LEU 96 HA LEU 96 -19.018 -2.111 17.263 725 HB2 LEU 96 HB2 LEU 96 -19.378 0.234 16.431 726 HB3 LEU 96 HB1 LEU 96 -20.807 -0.339 15.596 727 HG LEU 96 HG LEU 96 -20.592 -0.782 18.545 728 HD11 LEU 96 HD11 LEU 96 -21.411 1.814 17.247 729 HD12 LEU 96 HD12 LEU 96 -19.977 1.560 18.242 730 HD13 LEU 96 HD13 LEU 96 -21.583 1.411 18.955 731 HD21 LEU 96 HD21 LEU 96 -22.461 -1.756 17.301 732 HD22 LEU 96 HD22 LEU 96 -22.897 -0.157 16.698 733 HD23 LEU 96 HD23 LEU 96 -23.015 -0.511 18.422 734 H ASP 97 HN ASP 97 -20.971 -2.290 14.279 735 HA ASP 97 HA ASP 97 -22.873 -4.093 15.444 736 HB2 ASP 97 HB2 ASP 97 -22.391 -2.978 12.729 737 HB3 ASP 97 HB1 ASP 97 -23.296 -4.483 12.829 738 H ALA 98 HN ALA 98 -19.754 -4.427 14.190 739 HA ALA 98 HA ALA 98 -19.870 -7.136 13.347 740 HB1 ALA 98 HB1 ALA 98 -17.429 -7.092 13.542 741 HB2 ALA 98 HB2 ALA 98 -17.524 -5.550 14.392 742 HB3 ALA 98 HB3 ALA 98 -18.028 -5.660 12.705 743 H GLN 99 HN GLN 99 -19.169 -5.528 16.397 744 HA GLN 99 HA GLN 99 -18.713 -7.940 17.862 745 HB2 GLN 99 HB2 GLN 99 -19.446 -5.171 18.830 746 HB3 GLN 99 HB1 GLN 99 -18.901 -6.491 19.855 747 HG2 GLN 99 HG2 GLN 99 -16.746 -6.497 18.735 748 HG3 GLN 99 HG1 GLN 99 -17.291 -5.211 17.658 749 HE21 GLN 99 HE21 GLN 99 -15.677 -3.810 18.333 750 HE22 GLN 99 HE22 GLN 99 -15.706 -3.049 19.887 751 H LEU 100 HN LEU 100 -21.451 -5.785 17.334 752 HA LEU 100 HA LEU 100 -23.205 -7.334 19.023 753 HB2 LEU 100 HB2 LEU 100 -23.780 -5.050 17.137 754 HB3 LEU 100 HB1 LEU 100 -24.959 -5.779 18.208 755 HG LEU 100 HG LEU 100 -22.483 -4.272 19.054 756 HD11 LEU 100 HD11 LEU 100 -24.252 -2.840 18.172 757 HD12 LEU 100 HD12 LEU 100 -24.068 -2.630 19.913 758 HD13 LEU 100 HD13 LEU 100 -25.409 -3.582 19.277 759 HD21 LEU 100 HD21 LEU 100 -23.351 -4.515 21.327 760 HD22 LEU 100 HD22 LEU 100 -22.979 -6.080 20.607 761 HD23 LEU 100 HD23 LEU 100 -24.653 -5.539 20.722 762 H ARG 101 HN ARG 101 -21.890 -8.257 16.350 763 HA ARG 101 HA ARG 101 -23.915 -8.976 14.555 764 HB2 ARG 101 HB2 ARG 101 -21.492 -9.213 14.103 765 HB3 ARG 101 HB1 ARG 101 -21.409 -10.506 15.288 766 HG2 ARG 101 HG2 ARG 101 -23.133 -11.710 13.847 767 HG3 ARG 101 HG1 ARG 101 -22.745 -10.516 12.607 768 HD2 ARG 101 HD2 ARG 101 -21.408 -12.498 12.262 769 HD3 ARG 101 HD1 ARG 101 -20.369 -11.168 12.771 770 HE ARG 101 HE ARG 101 -21.118 -12.562 15.066 771 HH11 ARG 101 HH11 ARG 101 -19.217 -13.103 12.173 772 HH12 ARG 101 HH12 ARG 101 -18.211 -14.307 12.910 773 HH21 ARG 101 HH21 ARG 101 -19.798 -14.113 16.042 774 HH22 ARG 101 HH22 ARG 101 -18.541 -14.886 15.126 775 H ASP 102 HN ASP 102 -22.864 -10.325 17.576 776 HA ASP 102 HA ASP 102 -24.691 -12.598 17.292 777 HB2 ASP 102 HB2 ASP 102 -22.384 -12.127 19.190 778 HB3 ASP 102 HB1 ASP 102 -23.436 -13.536 19.242 779 H LEU 103 HN LEU 103 -25.206 -9.671 18.110 780 HA LEU 103 HA LEU 103 -25.965 -9.615 20.816 781 HB2 LEU 103 HB2 LEU 103 -25.720 -7.595 19.449 782 HB3 LEU 103 HB1 LEU 103 -27.100 -8.072 18.481 783 HG LEU 103 HG LEU 103 -28.559 -7.840 20.459 784 HD11 LEU 103 HD11 LEU 103 -26.062 -6.825 21.811 785 HD12 LEU 103 HD12 LEU 103 -26.936 -8.305 22.205 786 HD13 LEU 103 HD13 LEU 103 -27.695 -6.735 22.470 787 HD21 LEU 103 HD21 LEU 103 -28.286 -5.971 18.920 788 HD22 LEU 103 HD22 LEU 103 -26.895 -5.402 19.842 789 HD23 LEU 103 HD23 LEU 103 -28.498 -5.400 20.575 790 H ARG 104 HN ARG 104 -27.587 -10.501 21.858 791 HA ARG 104 HA ARG 104 -29.630 -11.931 20.305 792 HB2 ARG 104 HB2 ARG 104 -28.608 -12.397 23.116 793 HB3 ARG 104 HB1 ARG 104 -29.825 -13.370 22.303 794 HG2 ARG 104 HG2 ARG 104 -28.296 -14.343 20.882 795 HG3 ARG 104 HG1 ARG 104 -27.136 -13.026 21.061 796 HD2 ARG 104 HD2 ARG 104 -27.859 -15.009 23.214 797 HD3 ARG 104 HD1 ARG 104 -26.420 -15.094 22.200 798 HE ARG 104 HE ARG 104 -26.964 -13.106 24.295 799 HH11 ARG 104 HH11 ARG 104 -24.774 -14.515 21.953 800 HH12 ARG 104 HH12 ARG 104 -23.373 -13.708 22.583 801 HH21 ARG 104 HH21 ARG 104 -25.122 -12.041 25.137 802 HH22 ARG 104 HH22 ARG 104 -23.569 -12.311 24.406 803 H GLN 105 HN GLN 105 -31.793 -12.020 21.218 804 HA GLN 105 HA GLN 105 -32.571 -9.524 22.464 805 HB2 GLN 105 HB2 GLN 105 -34.899 -10.436 22.206 806 HB3 GLN 105 HB1 GLN 105 -34.002 -10.262 20.705 807 HG2 GLN 105 HG2 GLN 105 -33.561 -12.640 20.657 808 HG3 GLN 105 HG1 GLN 105 -34.360 -12.844 22.214 809 HE21 GLN 105 HE21 GLN 105 -34.804 -12.234 18.818 810 HE22 GLN 105 HE22 GLN 105 -36.509 -12.523 18.785 811 H LEU 106 HN LEU 106 -30.973 -10.762 24.160 812 HA LEU 106 HA LEU 106 -32.735 -11.935 26.203 813 HB2 LEU 106 HB2 LEU 106 -29.787 -12.444 25.774 814 HB3 LEU 106 HB1 LEU 106 -30.762 -13.129 27.057 815 HG LEU 106 HG LEU 106 -31.164 -13.667 24.113 816 HD11 LEU 106 HD11 LEU 106 -29.962 -15.415 26.255 817 HD12 LEU 106 HD12 LEU 106 -29.069 -14.616 24.961 818 HD13 LEU 106 HD13 LEU 106 -30.249 -15.868 24.576 819 HD21 LEU 106 HD21 LEU 106 -32.431 -14.894 26.559 820 HD22 LEU 106 HD22 LEU 106 -32.664 -15.440 24.899 821 HD23 LEU 106 HD23 LEU 106 -33.228 -13.843 25.388
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