NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
477459 | 2l0c | 17038 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -2.988 -20.836 -11.823 2 H2 MET 1 2H MET 1 -1.804 -19.827 -12.503 3 H3 MET 1 3H MET 1 -3.117 -19.151 -11.671 4 HA MET 1 HA MET 1 -2.366 -20.145 -9.612 5 HB2 MET 1 1HB MET 1 0.011 -21.008 -11.280 6 HB3 MET 1 2HB MET 1 -0.093 -21.124 -9.530 7 HG2 MET 1 1HG MET 1 -2.000 -22.660 -9.773 8 HG3 MET 1 2HG MET 1 -1.808 -22.584 -11.523 9 HE1 MET 1 3HE MET 1 1.823 -24.132 -11.907 10 HE2 MET 1 1HE MET 1 1.437 -22.430 -11.651 11 HE3 MET 1 2HE MET 1 0.472 -23.395 -12.769 12 H ALA 2 H ALA 2 -1.302 -18.765 -8.257 13 HA ALA 2 HA ALA 2 0.558 -16.826 -9.390 14 HB1 ALA 2 3HB ALA 2 -0.670 -14.905 -8.521 15 HB2 ALA 2 1HB ALA 2 -1.971 -15.969 -7.984 16 HB3 ALA 2 2HB ALA 2 -1.634 -15.787 -9.705 17 HA PRO 3 HA PRO 3 2.154 -17.794 -5.267 18 HB2 PRO 3 1HB PRO 3 4.555 -16.454 -6.250 19 HB3 PRO 3 2HB PRO 3 4.351 -18.131 -5.736 20 HG2 PRO 3 1HG PRO 3 4.776 -17.436 -8.321 21 HG3 PRO 3 2HG PRO 3 3.819 -18.853 -7.852 22 HD2 PRO 3 1HD PRO 3 2.892 -16.145 -8.739 23 HD3 PRO 3 2HD PRO 3 2.253 -17.750 -9.158 24 H LEU 4 H LEU 4 2.879 -16.429 -3.523 25 HA LEU 4 HA LEU 4 1.780 -13.772 -3.701 26 HB2 LEU 4 1HB LEU 4 1.657 -15.306 -1.675 27 HB3 LEU 4 2HB LEU 4 3.346 -14.923 -1.403 28 HG LEU 4 HG LEU 4 2.774 -12.551 -1.147 29 HD11 LEU 4 1HD1 LEU 4 0.435 -11.870 -0.992 30 HD12 LEU 4 2HD1 LEU 4 -0.073 -13.497 -1.442 31 HD13 LEU 4 3HD1 LEU 4 0.811 -12.499 -2.596 32 HD21 LEU 4 3HD2 LEU 4 1.154 -14.404 0.596 33 HD22 LEU 4 1HD2 LEU 4 1.621 -12.752 1.000 34 HD23 LEU 4 2HD2 LEU 4 2.856 -13.997 0.815 35 H GLN 5 H GLN 5 2.943 -12.366 -4.859 36 HA GLN 5 HA GLN 5 5.824 -12.394 -4.818 37 HB2 GLN 5 1HB GLN 5 3.907 -10.400 -6.054 38 HB3 GLN 5 2HB GLN 5 5.636 -10.497 -6.366 39 HG2 GLN 5 1HG GLN 5 5.391 -12.630 -7.421 40 HG3 GLN 5 2HG GLN 5 3.693 -12.714 -6.960 41 HE21 GLN 5 2HE2 GLN 5 4.959 -12.851 -9.589 42 HE22 GLN 5 1HE2 GLN 5 4.226 -11.588 -10.526 43 H GLN 6 H GLN 6 6.882 -11.593 -3.160 44 HA GLN 6 HA GLN 6 5.730 -9.304 -1.723 45 HB2 GLN 6 1HB GLN 6 7.382 -11.610 -0.701 46 HB3 GLN 6 2HB GLN 6 7.093 -10.150 0.235 47 HG2 GLN 6 1HG GLN 6 4.691 -10.570 0.153 48 HG3 GLN 6 2HG GLN 6 4.979 -12.035 -0.785 49 HE21 GLN 6 2HE2 GLN 6 3.743 -11.610 1.865 50 HE22 GLN 6 1HE2 GLN 6 4.625 -12.637 2.946 51 H LYS 7 H LYS 7 6.815 -7.496 -1.885 52 HA LYS 7 HA LYS 7 9.733 -7.574 -1.857 53 HB2 LYS 7 1HB LYS 7 8.842 -7.344 -4.260 54 HB3 LYS 7 2HB LYS 7 8.284 -5.748 -3.770 55 HG2 LYS 7 1HG LYS 7 10.605 -5.173 -3.147 56 HG3 LYS 7 2HG LYS 7 11.125 -6.740 -3.770 57 HD2 LYS 7 1HD LYS 7 10.077 -6.066 -5.969 58 HD3 LYS 7 2HD LYS 7 9.918 -4.443 -5.293 59 HE2 LYS 7 1HE LYS 7 11.938 -4.543 -6.588 60 HE3 LYS 7 2HE LYS 7 12.360 -4.429 -4.879 61 HZ1 LYS 7 3HZ LYS 7 13.742 -6.066 -5.917 62 HZ2 LYS 7 1HZ LYS 7 12.396 -6.877 -6.557 63 HZ3 LYS 7 2HZ LYS 7 12.660 -6.868 -4.886 64 H GLN 8 H GLN 8 10.658 -5.664 -0.993 65 HA GLN 8 HA GLN 8 8.941 -4.354 0.893 66 HB2 GLN 8 1HB GLN 8 11.858 -3.844 0.279 67 HB3 GLN 8 2HB GLN 8 10.977 -3.245 1.678 68 HG2 GLN 8 1HG GLN 8 11.966 -5.039 2.632 69 HG3 GLN 8 2HG GLN 8 10.509 -5.823 2.030 70 HE21 GLN 8 2HE2 GLN 8 13.035 -7.028 2.625 71 HE22 GLN 8 1HE2 GLN 8 13.625 -7.731 1.160 72 H VAL 9 H VAL 9 8.019 -2.434 0.752 73 HA VAL 9 HA VAL 9 8.791 -0.645 -1.456 74 HB VAL 9 HB VAL 9 6.399 -0.071 -1.778 75 HG11 VAL 9 1HG1 VAL 9 7.460 -1.648 -3.290 76 HG12 VAL 9 2HG1 VAL 9 5.779 -2.102 -3.014 77 HG13 VAL 9 3HG1 VAL 9 7.073 -2.981 -2.201 78 HG21 VAL 9 3HG2 VAL 9 5.543 -0.741 0.396 79 HG22 VAL 9 1HG2 VAL 9 5.899 -2.430 0.034 80 HG23 VAL 9 2HG2 VAL 9 4.669 -1.570 -0.893 81 H VAL 10 H VAL 10 7.767 1.552 -1.155 82 HA VAL 10 HA VAL 10 7.848 2.314 1.690 83 HB VAL 10 HB VAL 10 8.320 4.034 -0.756 84 HG11 VAL 10 1HG1 VAL 10 8.557 4.719 2.173 85 HG12 VAL 10 2HG1 VAL 10 7.320 5.309 1.063 86 HG13 VAL 10 3HG1 VAL 10 9.007 5.770 0.830 87 HG21 VAL 10 3HG2 VAL 10 10.152 2.483 -0.367 88 HG22 VAL 10 1HG2 VAL 10 10.260 3.014 1.312 89 HG23 VAL 10 2HG2 VAL 10 10.642 4.136 0.006 90 H VAL 11 H VAL 11 5.920 2.793 2.568 91 HA VAL 11 HA VAL 11 3.644 3.568 1.001 92 HB VAL 11 HB VAL 11 4.043 3.891 3.985 93 HG11 VAL 11 1HG1 VAL 11 1.529 3.752 2.322 94 HG12 VAL 11 2HG1 VAL 11 2.190 5.198 3.086 95 HG13 VAL 11 3HG1 VAL 11 1.599 3.867 4.081 96 HG21 VAL 11 3HG2 VAL 11 4.394 1.572 3.353 97 HG22 VAL 11 1HG2 VAL 11 2.876 1.568 2.455 98 HG23 VAL 11 2HG2 VAL 11 2.863 1.750 4.210 99 H SER 12 H SER 12 4.031 5.392 -0.146 100 HA SER 12 HA SER 12 5.732 7.441 0.937 101 HB2 SER 12 1HB SER 12 5.301 8.466 -1.376 102 HB3 SER 12 2HB SER 12 6.142 6.915 -1.319 103 HG SER 12 HG SER 12 4.299 7.174 -2.860 104 H ASN 13 H ASN 13 2.401 7.456 -0.385 105 HA ASN 13 HA ASN 13 1.716 9.638 1.398 106 HB2 ASN 13 1HB ASN 13 2.885 10.727 -0.524 107 HB3 ASN 13 2HB ASN 13 1.663 10.061 -1.600 108 HD21 ASN 13 2HD2 ASN 13 0.842 11.967 -2.294 109 HD22 ASN 13 1HD2 ASN 13 -0.016 13.072 -1.266 110 H LYS 14 H LYS 14 -0.516 10.084 1.477 111 HA LYS 14 HA LYS 14 -2.245 7.975 0.498 112 HB2 LYS 14 1HB LYS 14 -4.015 9.169 1.742 113 HB3 LYS 14 2HB LYS 14 -2.618 8.834 2.756 114 HG2 LYS 14 1HG LYS 14 -1.865 11.122 2.536 115 HG3 LYS 14 2HG LYS 14 -3.195 11.477 1.432 116 HD2 LYS 14 1HD LYS 14 -4.806 11.040 3.200 117 HD3 LYS 14 2HD LYS 14 -3.501 10.599 4.304 118 HE2 LYS 14 1HE LYS 14 -2.593 12.871 4.121 119 HE3 LYS 14 2HE LYS 14 -3.915 13.307 3.039 120 HZ1 LYS 14 3HZ LYS 14 -4.298 12.348 5.821 121 HZ2 LYS 14 1HZ LYS 14 -5.483 12.981 4.784 122 HZ3 LYS 14 2HZ LYS 14 -4.250 13.985 5.384 123 H ARG 15 H ARG 15 -3.953 8.298 -0.970 124 HA ARG 15 HA ARG 15 -3.913 10.830 -2.454 125 HB2 ARG 15 1HB ARG 15 -2.477 8.781 -3.399 126 HB3 ARG 15 2HB ARG 15 -4.046 8.306 -4.034 127 HG2 ARG 15 1HG ARG 15 -4.237 10.365 -5.253 128 HG3 ARG 15 2HG ARG 15 -2.761 10.986 -4.511 129 HD2 ARG 15 1HD ARG 15 -3.016 8.672 -6.426 130 HD3 ARG 15 2HD ARG 15 -2.233 10.225 -6.720 131 HE ARG 15 HE ARG 15 -1.212 8.349 -4.689 132 HH11 ARG 15 1HH1 ARG 15 -0.715 10.351 -7.520 133 HH12 ARG 15 2HH1 ARG 15 1.007 10.098 -7.548 134 HH21 ARG 15 1HH2 ARG 15 1.024 8.007 -4.722 135 HH22 ARG 15 2HH2 ARG 15 2.009 8.743 -5.959 136 H GLU 16 H GLU 16 -5.823 11.062 -3.872 137 HA GLU 16 HA GLU 16 -8.025 9.232 -3.320 138 HB2 GLU 16 1HB GLU 16 -8.158 10.995 -1.572 139 HB3 GLU 16 2HB GLU 16 -8.269 12.209 -2.840 140 HG2 GLU 16 1HG GLU 16 -10.338 11.049 -3.645 141 HG3 GLU 16 2HG GLU 16 -10.255 10.043 -2.201 142 H LYS 17 H LYS 17 -8.188 8.623 -5.419 143 HA LYS 17 HA LYS 17 -8.770 10.733 -7.384 144 HB2 LYS 17 1HB LYS 17 -8.160 7.791 -7.742 145 HB3 LYS 17 2HB LYS 17 -8.579 8.881 -9.057 146 HG2 LYS 17 1HG LYS 17 -6.182 9.168 -7.255 147 HG3 LYS 17 2HG LYS 17 -6.165 8.505 -8.890 148 HD2 LYS 17 1HD LYS 17 -6.977 10.645 -9.764 149 HD3 LYS 17 2HD LYS 17 -6.992 11.305 -8.128 150 HE2 LYS 17 1HE LYS 17 -4.590 11.027 -7.964 151 HE3 LYS 17 2HE LYS 17 -4.547 10.268 -9.555 152 HZ1 LYS 17 3HZ LYS 17 -5.347 12.339 -10.520 153 HZ2 LYS 17 1HZ LYS 17 -3.893 12.577 -9.684 154 HZ3 LYS 17 2HZ LYS 17 -5.356 13.073 -8.989 155 HA PRO 18 HA PRO 18 -13.113 10.127 -6.852 156 HB2 PRO 18 1HB PRO 18 -13.189 10.810 -9.748 157 HB3 PRO 18 2HB PRO 18 -14.073 11.528 -8.397 158 HG2 PRO 18 1HG PRO 18 -12.018 12.807 -9.494 159 HG3 PRO 18 2HG PRO 18 -12.270 12.833 -7.738 160 HD2 PRO 18 1HD PRO 18 -10.302 11.265 -9.349 161 HD3 PRO 18 2HD PRO 18 -10.107 12.030 -7.759 162 H VAL 19 H VAL 19 -14.721 8.644 -7.356 163 HA VAL 19 HA VAL 19 -13.829 6.386 -9.032 164 HB VAL 19 HB VAL 19 -15.590 6.141 -6.590 165 HG11 VAL 19 1HG1 VAL 19 -15.745 4.298 -8.169 166 HG12 VAL 19 2HG1 VAL 19 -14.949 3.780 -6.682 167 HG13 VAL 19 3HG1 VAL 19 -13.992 4.099 -8.130 168 HG21 VAL 19 3HG2 VAL 19 -12.602 5.762 -6.740 169 HG22 VAL 19 1HG2 VAL 19 -13.622 5.365 -5.357 170 HG23 VAL 19 2HG2 VAL 19 -13.448 7.043 -5.872 171 H ASN 20 H ASN 20 -15.422 5.233 -10.168 172 HA ASN 20 HA ASN 20 -18.172 6.268 -10.106 173 HB2 ASN 20 1HB ASN 20 -16.859 7.087 -12.146 174 HB3 ASN 20 2HB ASN 20 -16.776 5.406 -12.655 175 HD21 ASN 20 2HD2 ASN 20 -17.982 7.599 -14.042 176 HD22 ASN 20 1HD2 ASN 20 -19.660 7.225 -14.218 177 H ASP 21 H ASP 21 -19.725 4.633 -10.189 178 HA ASP 21 HA ASP 21 -18.736 2.013 -9.540 179 HB2 ASP 21 1HB ASP 21 -20.782 3.087 -8.485 180 HB3 ASP 21 2HB ASP 21 -21.625 2.767 -9.997 181 H ARG 22 H ARG 22 -19.328 0.072 -10.627 182 HA ARG 22 HA ARG 22 -18.809 0.257 -13.420 183 HB2 ARG 22 1HB ARG 22 -19.573 -2.149 -11.760 184 HB3 ARG 22 2HB ARG 22 -18.860 -2.184 -13.368 185 HG2 ARG 22 1HG ARG 22 -16.806 -1.288 -12.560 186 HG3 ARG 22 2HG ARG 22 -17.511 -0.961 -10.976 187 HD2 ARG 22 1HD ARG 22 -17.095 -3.679 -12.212 188 HD3 ARG 22 2HD ARG 22 -16.125 -2.965 -10.924 189 HE ARG 22 HE ARG 22 -18.761 -2.949 -10.042 190 HH11 ARG 22 1HH1 ARG 22 -16.328 -5.302 -10.926 191 HH12 ARG 22 2HH1 ARG 22 -16.948 -6.542 -9.886 192 HH21 ARG 22 1HH2 ARG 22 -19.607 -4.582 -8.686 193 HH22 ARG 22 2HH2 ARG 22 -18.828 -6.136 -8.614 194 H ARG 23 H ARG 23 -21.695 0.032 -11.521 195 HA ARG 23 HA ARG 23 -23.368 -1.201 -13.465 196 HB2 ARG 23 1HB ARG 23 -24.150 0.666 -11.221 197 HB3 ARG 23 2HB ARG 23 -25.240 -0.383 -12.115 198 HG2 ARG 23 1HG ARG 23 -24.001 -2.339 -11.258 199 HG3 ARG 23 2HG ARG 23 -23.004 -1.247 -10.295 200 HD2 ARG 23 1HD ARG 23 -25.968 -1.730 -10.061 201 HD3 ARG 23 2HD ARG 23 -24.720 -2.107 -8.875 202 HE ARG 23 HE ARG 23 -25.663 0.602 -9.576 203 HH11 ARG 23 1HH1 ARG 23 -24.038 -1.594 -7.376 204 HH12 ARG 23 2HH1 ARG 23 -23.932 -0.434 -6.091 205 HH21 ARG 23 1HH2 ARG 23 -25.546 2.124 -7.882 206 HH22 ARG 23 2HH2 ARG 23 -24.802 1.679 -6.373 207 H SER 24 H SER 24 -22.093 1.958 -13.158 208 HA SER 24 HA SER 24 -24.092 3.434 -14.486 209 HB2 SER 24 1HB SER 24 -21.115 3.978 -14.424 210 HB3 SER 24 2HB SER 24 -22.391 5.149 -14.757 211 HG SER 24 HG SER 24 -21.382 4.742 -12.466 212 H ARG 25 H ARG 25 -21.439 1.455 -15.634 213 HA ARG 25 HA ARG 25 -20.727 0.816 -17.705 214 HB2 ARG 25 1HB ARG 25 -23.190 0.073 -17.665 215 HB3 ARG 25 2HB ARG 25 -23.503 1.466 -18.689 216 HG2 ARG 25 1HG ARG 25 -21.783 0.536 -20.281 217 HG3 ARG 25 2HG ARG 25 -21.803 -0.935 -19.305 218 HD2 ARG 25 1HD ARG 25 -24.091 0.296 -20.828 219 HD3 ARG 25 2HD ARG 25 -23.294 -1.243 -21.148 220 HE ARG 25 HE ARG 25 -24.674 -0.873 -18.586 221 HH11 ARG 25 1HH1 ARG 25 -24.509 -2.411 -21.736 222 HH12 ARG 25 2HH1 ARG 25 -25.744 -3.580 -21.359 223 HH21 ARG 25 1HH2 ARG 25 -26.274 -2.394 -18.094 224 HH22 ARG 25 2HH2 ARG 25 -26.744 -3.575 -19.281 225 H GLN 26 H GLN 26 -20.257 3.503 -17.022 226 HA GLN 26 HA GLN 26 -21.134 5.287 -19.045 227 HB2 GLN 26 1HB GLN 26 -19.113 5.475 -16.838 228 HB3 GLN 26 2HB GLN 26 -19.253 6.753 -18.039 229 HG2 GLN 26 1HG GLN 26 -21.465 5.769 -16.249 230 HG3 GLN 26 2HG GLN 26 -20.541 7.257 -16.036 231 HE21 GLN 26 2HE2 GLN 26 -23.416 6.824 -16.460 232 HE22 GLN 26 1HE2 GLN 26 -23.838 7.750 -17.860 233 H GLN 27 H GLN 27 -20.191 6.022 -20.821 234 HA GLN 27 HA GLN 27 -17.830 4.627 -21.825 235 HB2 GLN 27 1HB GLN 27 -19.678 6.598 -23.197 236 HB3 GLN 27 2HB GLN 27 -18.417 5.652 -23.976 237 HG2 GLN 27 1HG GLN 27 -19.591 3.612 -23.545 238 HG3 GLN 27 2HG GLN 27 -20.788 4.456 -22.565 239 HE21 GLN 27 2HE2 GLN 27 -21.146 2.801 -24.933 240 HE22 GLN 27 1HE2 GLN 27 -21.953 3.800 -26.098 241 H GLU 28 H GLU 28 -18.178 6.925 -19.789 242 HA GLU 28 HA GLU 28 -15.894 8.494 -20.681 243 HB2 GLU 28 1HB GLU 28 -17.972 9.724 -21.357 244 HB3 GLU 28 2HB GLU 28 -18.468 9.741 -19.672 245 HG2 GLU 28 1HG GLU 28 -16.502 11.076 -19.107 246 HG3 GLU 28 2HG GLU 28 -16.011 11.062 -20.800 247 H VAL 29 H VAL 29 -15.081 9.828 -18.748 248 HA VAL 29 HA VAL 29 -14.765 8.131 -16.519 249 HB VAL 29 HB VAL 29 -14.199 11.096 -16.644 250 HG11 VAL 29 1HG1 VAL 29 -14.168 10.214 -14.377 251 HG12 VAL 29 2HG1 VAL 29 -12.535 10.618 -14.909 252 HG13 VAL 29 3HG1 VAL 29 -13.059 8.935 -14.875 253 HG21 VAL 29 3HG2 VAL 29 -11.917 10.457 -17.283 254 HG22 VAL 29 1HG2 VAL 29 -13.102 9.949 -18.486 255 HG23 VAL 29 2HG2 VAL 29 -12.420 8.769 -17.367 256 H SER 30 H SER 30 -15.979 11.441 -16.312 257 HA SER 30 HA SER 30 -17.484 12.435 -14.949 258 HB2 SER 30 1HB SER 30 -19.071 9.991 -15.750 259 HB3 SER 30 2HB SER 30 -19.758 11.431 -14.996 260 HG SER 30 HG SER 30 -19.559 11.115 -17.500 261 HA PRO 31 HA PRO 31 -16.245 10.070 -11.190 262 HB2 PRO 31 1HB PRO 31 -15.811 12.385 -9.766 263 HB3 PRO 31 2HB PRO 31 -14.577 11.547 -10.712 264 HG2 PRO 31 1HG PRO 31 -16.231 13.930 -11.435 265 HG3 PRO 31 2HG PRO 31 -14.514 13.615 -11.754 266 HD2 PRO 31 1HD PRO 31 -16.385 13.319 -13.657 267 HD3 PRO 31 2HD PRO 31 -14.972 12.246 -13.562 268 H ALA 32 H ALA 32 -17.598 9.504 -9.578 269 HA ALA 32 HA ALA 32 -20.153 10.861 -9.365 270 HB1 ALA 32 3HB ALA 32 -20.072 8.413 -9.419 271 HB2 ALA 32 1HB ALA 32 -20.789 9.002 -7.919 272 HB3 ALA 32 2HB ALA 32 -19.127 8.411 -7.929 273 H GLY 33 H GLY 33 -18.542 12.718 -8.599 274 HA2 GLY 33 1HA GLY 33 -18.200 14.207 -6.872 275 HA3 GLY 33 2HA GLY 33 -19.095 13.120 -5.819 276 H THR 34 H THR 34 -18.004 11.973 -4.358 277 HA THR 34 HA THR 34 -15.171 11.437 -4.723 278 HB THR 34 HB THR 34 -15.255 13.646 -3.584 279 HG1 THR 34 HG1 THR 34 -13.453 12.757 -2.857 280 HG21 THR 34 3HG2 THR 34 -17.373 13.374 -2.396 281 HG22 THR 34 1HG2 THR 34 -16.074 13.784 -1.276 282 HG23 THR 34 2HG2 THR 34 -16.655 12.122 -1.382 283 H SER 35 H SER 35 -14.500 10.338 -2.387 284 HA SER 35 HA SER 35 -16.594 8.556 -1.476 285 HB2 SER 35 1HB SER 35 -15.572 7.604 -3.642 286 HB3 SER 35 2HB SER 35 -14.113 7.335 -2.689 287 HG SER 35 HG SER 35 -16.667 6.165 -2.437 288 H MET 36 H MET 36 -15.791 7.161 0.321 289 HA MET 36 HA MET 36 -13.724 8.576 1.831 290 HB2 MET 36 1HB MET 36 -15.684 6.452 2.718 291 HB3 MET 36 2HB MET 36 -14.507 7.230 3.764 292 HG2 MET 36 1HG MET 36 -15.612 9.415 3.196 293 HG3 MET 36 2HG MET 36 -16.887 8.474 2.422 294 HE1 MET 36 3HE MET 36 -18.171 6.459 3.816 295 HE2 MET 36 1HE MET 36 -18.023 6.273 5.564 296 HE3 MET 36 2HE MET 36 -16.652 5.902 4.518 297 H ARG 37 H ARG 37 -13.553 6.342 -0.388 298 HA ARG 37 HA ARG 37 -11.907 4.417 1.031 299 HB2 ARG 37 1HB ARG 37 -12.703 4.669 -1.868 300 HB3 ARG 37 2HB ARG 37 -11.507 3.505 -1.324 301 HG2 ARG 37 1HG ARG 37 -13.536 2.330 -1.486 302 HG3 ARG 37 2HG ARG 37 -13.274 2.600 0.236 303 HD2 ARG 37 1HD ARG 37 -14.849 4.421 0.239 304 HD3 ARG 37 2HD ARG 37 -15.022 4.324 -1.512 305 HE ARG 37 HE ARG 37 -15.914 2.204 0.345 306 HH11 ARG 37 1HH1 ARG 37 -16.346 4.150 -2.535 307 HH12 ARG 37 2HH1 ARG 37 -17.812 3.346 -3.013 308 HH21 ARG 37 1HH2 ARG 37 -17.843 1.157 -0.275 309 HH22 ARG 37 2HH2 ARG 37 -18.665 1.655 -1.723 310 H TYR 38 H TYR 38 -10.225 5.638 1.787 311 HA TYR 38 HA TYR 38 -8.720 7.418 0.139 312 HB2 TYR 38 1HB TYR 38 -8.022 6.190 2.818 313 HB3 TYR 38 2HB TYR 38 -7.170 7.527 2.053 314 HD1 TYR 38 HD1 TYR 38 -8.241 9.738 1.875 315 HD2 TYR 38 HD2 TYR 38 -10.113 6.525 3.939 316 HE1 TYR 38 HE1 TYR 38 -9.767 11.331 2.960 317 HE2 TYR 38 HE2 TYR 38 -11.649 8.107 5.027 318 HH TYR 38 HH TYR 38 -11.994 11.329 4.015 319 H GLU 39 H GLU 39 -6.765 7.090 -0.845 320 HA GLU 39 HA GLU 39 -6.076 4.276 -1.282 321 HB2 GLU 39 1HB GLU 39 -5.430 6.708 -2.959 322 HB3 GLU 39 2HB GLU 39 -5.039 5.045 -3.370 323 HG2 GLU 39 1HG GLU 39 -7.392 4.499 -3.510 324 HG3 GLU 39 2HG GLU 39 -7.817 6.141 -3.028 325 H ALA 40 H ALA 40 -3.948 3.595 -1.235 326 HA ALA 40 HA ALA 40 -2.052 5.456 0.046 327 HB1 ALA 40 3HB ALA 40 -2.245 2.464 0.407 328 HB2 ALA 40 1HB ALA 40 -2.745 3.683 1.579 329 HB3 ALA 40 2HB ALA 40 -1.043 3.519 1.151 330 H SER 41 H SER 41 -0.125 5.718 -0.909 331 HA SER 41 HA SER 41 0.286 4.350 -3.453 332 HB2 SER 41 1HB SER 41 1.874 6.656 -2.308 333 HB3 SER 41 2HB SER 41 1.815 6.121 -3.987 334 HG SER 41 HG SER 41 -0.206 7.398 -2.471 335 H PHE 42 H PHE 42 1.469 2.567 -3.436 336 HA PHE 42 HA PHE 42 3.671 2.327 -1.506 337 HB2 PHE 42 1HB PHE 42 2.352 0.222 -3.244 338 HB3 PHE 42 2HB PHE 42 3.666 -0.078 -2.112 339 HD1 PHE 42 HD1 PHE 42 3.275 0.092 0.310 340 HD2 PHE 42 HD2 PHE 42 0.106 0.475 -2.504 341 HE1 PHE 42 HE1 PHE 42 1.638 -0.287 2.107 342 HE2 PHE 42 HE2 PHE 42 -1.537 0.097 -0.713 343 HZ PHE 42 HZ PHE 42 -0.773 -0.285 1.597 344 H LYS 43 H LYS 43 5.543 3.041 -2.262 345 HA LYS 43 HA LYS 43 6.027 2.993 -5.144 346 HB2 LYS 43 1HB LYS 43 6.423 5.116 -4.011 347 HB3 LYS 43 2HB LYS 43 7.544 4.337 -2.898 348 HG2 LYS 43 1HG LYS 43 8.906 3.709 -4.943 349 HG3 LYS 43 2HG LYS 43 7.889 4.839 -5.836 350 HD2 LYS 43 1HD LYS 43 8.613 6.664 -4.450 351 HD3 LYS 43 2HD LYS 43 9.496 5.561 -3.390 352 HE2 LYS 43 1HE LYS 43 10.891 4.909 -5.349 353 HE3 LYS 43 2HE LYS 43 10.081 6.162 -6.285 354 HZ1 LYS 43 3HZ LYS 43 11.638 6.644 -3.804 355 HZ2 LYS 43 1HZ LYS 43 10.946 7.827 -4.805 356 HZ3 LYS 43 2HZ LYS 43 12.228 6.872 -5.376 357 HA PRO 44 HA PRO 44 8.761 -0.525 -4.694 358 HB2 PRO 44 1HB PRO 44 9.798 -0.384 -7.218 359 HB3 PRO 44 2HB PRO 44 8.236 -1.122 -6.846 360 HG2 PRO 44 1HG PRO 44 8.842 1.597 -7.927 361 HG3 PRO 44 2HG PRO 44 7.548 0.473 -8.380 362 HD2 PRO 44 1HD PRO 44 7.132 2.606 -6.764 363 HD3 PRO 44 2HD PRO 44 6.218 1.094 -6.603 364 H LEU 45 H LEU 45 10.754 -0.581 -3.887 365 HA LEU 45 HA LEU 45 12.269 1.742 -3.482 366 HB2 LEU 45 1HB LEU 45 13.017 -1.165 -3.215 367 HB3 LEU 45 2HB LEU 45 14.031 0.158 -2.671 368 HG LEU 45 HG LEU 45 11.246 -0.385 -1.642 369 HD11 LEU 45 1HD1 LEU 45 12.755 -2.181 -1.010 370 HD12 LEU 45 2HD1 LEU 45 12.361 -1.177 0.385 371 HD13 LEU 45 3HD1 LEU 45 13.926 -1.007 -0.410 372 HD21 LEU 45 3HD2 LEU 45 11.915 1.953 -1.491 373 HD22 LEU 45 1HD2 LEU 45 13.412 1.482 -0.685 374 HD23 LEU 45 2HD2 LEU 45 11.860 1.208 0.106 375 H ASN 46 H ASN 46 12.361 -0.636 -6.015 376 HA ASN 46 HA ASN 46 14.996 0.162 -6.906 377 HB2 ASN 46 1HB ASN 46 14.693 -1.579 -8.633 378 HB3 ASN 46 2HB ASN 46 14.396 -2.204 -7.013 379 HD21 ASN 46 2HD2 ASN 46 12.998 -1.402 -10.076 380 HD22 ASN 46 1HD2 ASN 46 11.452 -2.119 -9.789 381 H GLY 47 H GLY 47 12.524 1.875 -7.003 382 HA2 GLY 47 1HA GLY 47 11.992 3.692 -8.351 383 HA3 GLY 47 2HA GLY 47 13.060 3.047 -9.588 384 H GLY 48 H GLY 48 10.230 4.109 -9.603 385 HA2 GLY 48 1HA GLY 48 9.173 2.992 -11.763 386 HA3 GLY 48 2HA GLY 48 8.754 1.779 -10.561 387 H LEU 49 H LEU 49 6.639 2.723 -11.708 388 HA LEU 49 HA LEU 49 5.625 5.126 -10.536 389 HB2 LEU 49 1HB LEU 49 4.235 2.887 -12.005 390 HB3 LEU 49 2HB LEU 49 3.437 4.355 -11.474 391 HG LEU 49 HG LEU 49 5.691 4.199 -13.478 392 HD11 LEU 49 1HD1 LEU 49 3.578 3.349 -14.347 393 HD12 LEU 49 2HD1 LEU 49 3.999 4.891 -15.093 394 HD13 LEU 49 3HD1 LEU 49 2.765 4.829 -13.835 395 HD21 LEU 49 3HD2 LEU 49 5.273 6.583 -13.826 396 HD22 LEU 49 1HD2 LEU 49 5.790 6.256 -12.173 397 HD23 LEU 49 2HD2 LEU 49 4.089 6.569 -12.519 398 H GLU 50 H GLU 50 4.301 5.398 -8.826 399 HA GLU 50 HA GLU 50 4.439 3.534 -6.715 400 HB2 GLU 50 1HB GLU 50 2.582 5.900 -6.999 401 HB3 GLU 50 2HB GLU 50 3.020 5.092 -5.501 402 HG2 GLU 50 1HG GLU 50 5.308 5.836 -5.728 403 HG3 GLU 50 2HG GLU 50 4.937 6.569 -7.289 404 H LYS 51 H LYS 51 3.097 1.943 -6.100 405 HA LYS 51 HA LYS 51 0.775 1.359 -7.726 406 HB2 LYS 51 1HB LYS 51 2.101 -0.059 -5.424 407 HB3 LYS 51 2HB LYS 51 0.531 -0.564 -6.026 408 HG2 LYS 51 1HG LYS 51 2.067 -1.965 -7.084 409 HG3 LYS 51 2HG LYS 51 1.634 -0.767 -8.302 410 HD2 LYS 51 1HD LYS 51 3.694 0.476 -7.782 411 HD3 LYS 51 2HD LYS 51 4.130 -0.765 -6.604 412 HE2 LYS 51 1HE LYS 51 5.319 -1.236 -8.617 413 HE3 LYS 51 2HE LYS 51 4.039 -2.442 -8.458 414 HZ1 LYS 51 3HZ LYS 51 2.690 -1.037 -9.991 415 HZ2 LYS 51 1HZ LYS 51 4.085 -1.694 -10.701 416 HZ3 LYS 51 2HZ LYS 51 4.055 -0.066 -10.243 417 H THR 52 H THR 52 -0.855 2.734 -7.358 418 HA THR 52 HA THR 52 -1.474 3.556 -4.635 419 HB THR 52 HB THR 52 -2.916 4.373 -7.162 420 HG1 THR 52 HG1 THR 52 -0.410 4.811 -6.671 421 HG21 THR 52 3HG2 THR 52 -2.628 5.699 -4.460 422 HG22 THR 52 1HG2 THR 52 -4.073 4.889 -5.067 423 HG23 THR 52 2HG2 THR 52 -3.495 6.363 -5.845 424 H PHE 53 H PHE 53 -2.501 1.966 -3.554 425 HA PHE 53 HA PHE 53 -4.726 0.583 -4.878 426 HB2 PHE 53 1HB PHE 53 -3.197 -0.094 -2.357 427 HB3 PHE 53 2HB PHE 53 -4.594 -0.995 -2.938 428 HD1 PHE 53 HD1 PHE 53 -4.361 -1.698 -5.520 429 HD2 PHE 53 HD2 PHE 53 -1.137 -0.955 -2.849 430 HE1 PHE 53 HE1 PHE 53 -2.890 -3.095 -6.915 431 HE2 PHE 53 HE2 PHE 53 0.341 -2.347 -4.237 432 HZ PHE 53 HZ PHE 53 -0.534 -3.420 -6.273 433 H ARG 54 H ARG 54 -6.778 0.616 -4.048 434 HA ARG 54 HA ARG 54 -7.370 2.914 -2.388 435 HB2 ARG 54 1HB ARG 54 -9.257 0.973 -3.736 436 HB3 ARG 54 2HB ARG 54 -9.700 2.505 -2.993 437 HG2 ARG 54 1HG ARG 54 -8.189 3.630 -4.648 438 HG3 ARG 54 2HG ARG 54 -8.045 2.070 -5.461 439 HD2 ARG 54 1HD ARG 54 -10.466 2.014 -5.777 440 HD3 ARG 54 2HD ARG 54 -10.611 3.569 -4.958 441 HE ARG 54 HE ARG 54 -9.481 3.093 -7.621 442 HH11 ARG 54 1HH1 ARG 54 -10.327 5.347 -5.081 443 HH12 ARG 54 2HH1 ARG 54 -10.278 6.738 -6.116 444 HH21 ARG 54 1HH2 ARG 54 -9.424 4.911 -8.988 445 HH22 ARG 54 2HH2 ARG 54 -9.770 6.483 -8.344 446 H LEU 55 H LEU 55 -7.988 2.866 -0.341 447 HA LEU 55 HA LEU 55 -8.382 0.239 0.936 448 HB2 LEU 55 1HB LEU 55 -6.821 2.644 1.883 449 HB3 LEU 55 2HB LEU 55 -7.250 1.302 2.933 450 HG LEU 55 HG LEU 55 -5.491 1.131 0.483 451 HD11 LEU 55 1HD1 LEU 55 -4.817 0.933 3.415 452 HD12 LEU 55 2HD1 LEU 55 -4.436 2.292 2.358 453 HD13 LEU 55 3HD1 LEU 55 -3.694 0.718 2.073 454 HD21 LEU 55 3HD2 LEU 55 -5.061 -1.162 1.191 455 HD22 LEU 55 1HD2 LEU 55 -6.775 -0.921 0.849 456 HD23 LEU 55 2HD2 LEU 55 -6.209 -0.978 2.518 457 H GLN 56 H GLN 56 -9.596 0.321 2.950 458 HA GLN 56 HA GLN 56 -11.682 2.342 2.967 459 HB2 GLN 56 1HB GLN 56 -11.183 -0.013 4.805 460 HB3 GLN 56 2HB GLN 56 -12.599 1.026 4.860 461 HG2 GLN 56 1HG GLN 56 -11.797 -0.702 2.531 462 HG3 GLN 56 2HG GLN 56 -13.027 -1.104 3.726 463 HE21 GLN 56 2HE2 GLN 56 -13.265 -0.795 0.851 464 HE22 GLN 56 1HE2 GLN 56 -14.460 0.423 0.593 465 H ALA 57 H ALA 57 -12.234 3.350 5.155 466 HA ALA 57 HA ALA 57 -10.057 4.927 6.000 467 HB1 ALA 57 3HB ALA 57 -12.702 4.479 7.386 468 HB2 ALA 57 1HB ALA 57 -12.380 5.683 6.137 469 HB3 ALA 57 2HB ALA 57 -11.575 5.798 7.702 470 H GLN 58 H GLN 58 -11.610 2.095 7.400 471 HA GLN 58 HA GLN 58 -10.138 2.055 9.821 472 HB2 GLN 58 1HB GLN 58 -11.400 -0.294 8.394 473 HB3 GLN 58 2HB GLN 58 -11.005 -0.188 10.103 474 HG2 GLN 58 1HG GLN 58 -12.674 1.576 10.380 475 HG3 GLN 58 2HG GLN 58 -13.074 1.461 8.667 476 HE21 GLN 58 2HE2 GLN 58 -14.810 1.064 10.939 477 HE22 GLN 58 1HE2 GLN 58 -15.407 -0.556 10.825 478 H GLN 59 H GLN 59 -9.493 0.952 6.600 479 HA GLN 59 HA GLN 59 -7.367 -0.843 7.354 480 HB2 GLN 59 1HB GLN 59 -8.201 0.181 4.634 481 HB3 GLN 59 2HB GLN 59 -7.035 -1.102 4.927 482 HG2 GLN 59 1HG GLN 59 -8.760 -2.480 5.924 483 HG3 GLN 59 2HG GLN 59 -9.938 -1.185 5.716 484 HE21 GLN 59 2HE2 GLN 59 -9.975 -3.896 4.681 485 HE22 GLN 59 1HE2 GLN 59 -10.066 -3.750 2.956 486 H TYR 60 H TYR 60 -7.631 2.345 5.810 487 HA TYR 60 HA TYR 60 -4.880 2.773 5.432 488 HB2 TYR 60 1HB TYR 60 -6.477 4.189 4.316 489 HB3 TYR 60 2HB TYR 60 -7.153 4.726 5.850 490 HD1 TYR 60 HD1 TYR 60 -3.866 4.681 4.053 491 HD2 TYR 60 HD2 TYR 60 -6.502 6.785 6.648 492 HE1 TYR 60 HE1 TYR 60 -2.313 6.589 4.079 493 HE2 TYR 60 HE2 TYR 60 -4.960 8.696 6.679 494 HH TYR 60 HH TYR 60 -2.587 9.137 6.315 495 H HIS 61 H HIS 61 -6.927 3.099 8.219 496 HA HIS 61 HA HIS 61 -5.080 4.548 9.839 497 HB2 HIS 61 1HB HIS 61 -7.466 4.615 10.293 498 HB3 HIS 61 2HB HIS 61 -7.507 2.874 10.531 499 HD1 HIS 61 HD1 HIS 61 -7.082 2.022 12.834 500 HD2 HIS 61 HD2 HIS 61 -6.096 6.044 12.417 501 HE1 HIS 61 HE1 HIS 61 -6.616 2.852 15.163 502 HE2 HIS 61 HE2 HIS 61 -6.220 5.324 14.907 503 H ALA 62 H ALA 62 -4.948 1.422 8.678 504 HA ALA 62 HA ALA 62 -3.931 0.218 11.129 505 HB1 ALA 62 3HB ALA 62 -4.343 -1.020 8.414 506 HB2 ALA 62 1HB ALA 62 -5.493 -1.059 9.751 507 HB3 ALA 62 2HB ALA 62 -3.937 -1.876 9.902 508 H LEU 63 H LEU 63 -2.651 1.814 8.400 509 HA LEU 63 HA LEU 63 0.002 0.736 9.070 510 HB2 LEU 63 1HB LEU 63 0.731 0.900 6.778 511 HB3 LEU 63 2HB LEU 63 -0.673 -0.139 6.881 512 HG LEU 63 HG LEU 63 -0.951 2.747 6.085 513 HD11 LEU 63 1HD1 LEU 63 -0.778 2.063 3.755 514 HD12 LEU 63 2HD1 LEU 63 -0.380 0.419 4.255 515 HD13 LEU 63 3HD1 LEU 63 0.731 1.742 4.611 516 HD21 LEU 63 3HD2 LEU 63 -2.985 1.526 6.654 517 HD22 LEU 63 1HD2 LEU 63 -2.562 0.267 5.495 518 HD23 LEU 63 2HD2 LEU 63 -2.933 1.895 4.930 519 H THR 64 H THR 64 1.783 2.251 8.221 520 HA THR 64 HA THR 64 0.992 5.013 8.862 521 HB THR 64 HB THR 64 3.566 3.665 9.705 522 HG1 THR 64 HG1 THR 64 1.085 3.544 10.767 523 HG21 THR 64 3HG2 THR 64 3.742 6.101 9.444 524 HG22 THR 64 1HG2 THR 64 3.842 5.634 11.142 525 HG23 THR 64 2HG2 THR 64 2.348 6.318 10.502 526 H VAL 65 H VAL 65 1.787 6.594 7.581 527 HA VAL 65 HA VAL 65 3.085 5.948 5.139 528 HB VAL 65 HB VAL 65 2.493 8.594 6.470 529 HG11 VAL 65 1HG1 VAL 65 4.469 8.887 5.078 530 HG12 VAL 65 2HG1 VAL 65 3.071 9.661 4.333 531 HG13 VAL 65 3HG1 VAL 65 3.650 8.110 3.724 532 HG21 VAL 65 3HG2 VAL 65 1.296 7.204 4.079 533 HG22 VAL 65 1HG2 VAL 65 0.806 8.776 4.712 534 HG23 VAL 65 2HG2 VAL 65 0.567 7.321 5.681 535 H GLY 66 H GLY 66 5.178 5.906 4.624 536 HA2 GLY 66 1HA GLY 66 7.454 6.601 4.848 537 HA3 GLY 66 2HA GLY 66 7.135 6.990 6.534 538 H ASP 67 H ASP 67 5.579 4.334 6.611 539 HA ASP 67 HA ASP 67 7.779 2.840 7.664 540 HB2 ASP 67 1HB ASP 67 5.582 2.711 8.735 541 HB3 ASP 67 2HB ASP 67 4.896 2.009 7.273 542 H GLN 68 H GLN 68 9.173 2.345 6.066 543 HA GLN 68 HA GLN 68 8.498 0.997 3.665 544 HB2 GLN 68 1HB GLN 68 11.097 0.799 5.199 545 HB3 GLN 68 2HB GLN 68 10.854 0.477 3.490 546 HG2 GLN 68 1HG GLN 68 10.347 2.835 3.115 547 HG3 GLN 68 2HG GLN 68 10.587 3.157 4.833 548 HE21 GLN 68 2HE2 GLN 68 12.005 4.277 2.563 549 HE22 GLN 68 1HE2 GLN 68 13.674 3.875 2.791 550 H GLY 69 H GLY 69 7.930 -1.080 3.355 551 HA2 GLY 69 1HA GLY 69 8.777 -3.161 5.162 552 HA3 GLY 69 2HA GLY 69 7.075 -2.751 5.312 553 H THR 70 H THR 70 7.175 -5.161 4.681 554 HA THR 70 HA THR 70 7.764 -5.682 1.900 555 HB THR 70 HB THR 70 6.499 -7.582 3.879 556 HG1 THR 70 HG1 THR 70 8.357 -7.645 4.886 557 HG21 THR 70 3HG2 THR 70 7.602 -9.290 2.502 558 HG22 THR 70 1HG2 THR 70 8.231 -8.027 1.443 559 HG23 THR 70 2HG2 THR 70 6.493 -8.310 1.543 560 H LEU 71 H LEU 71 6.288 -6.043 0.293 561 HA LEU 71 HA LEU 71 3.453 -5.659 0.998 562 HB2 LEU 71 1HB LEU 71 4.454 -3.815 -0.324 563 HB3 LEU 71 2HB LEU 71 4.862 -4.964 -1.584 564 HG LEU 71 HG LEU 71 2.439 -5.421 -1.901 565 HD11 LEU 71 1HD1 LEU 71 2.096 -3.124 0.019 566 HD12 LEU 71 2HD1 LEU 71 1.667 -4.808 0.325 567 HD13 LEU 71 3HD1 LEU 71 0.814 -3.892 -0.918 568 HD21 LEU 71 3HD2 LEU 71 3.600 -3.827 -3.329 569 HD22 LEU 71 1HD2 LEU 71 3.270 -2.535 -2.175 570 HD23 LEU 71 2HD2 LEU 71 1.940 -3.312 -3.033 571 H SER 72 H SER 72 2.143 -7.288 0.564 572 HA SER 72 HA SER 72 3.139 -9.507 -1.091 573 HB2 SER 72 1HB SER 72 0.852 -9.465 0.898 574 HB3 SER 72 2HB SER 72 1.522 -10.886 0.095 575 HG SER 72 HG SER 72 3.203 -9.221 1.607 576 H TYR 73 H TYR 73 2.508 -9.232 -3.142 577 HA TYR 73 HA TYR 73 -0.345 -8.848 -3.644 578 HB2 TYR 73 1HB TYR 73 0.121 -7.224 -5.455 579 HB3 TYR 73 2HB TYR 73 0.580 -6.609 -3.873 580 HD1 TYR 73 HD2 TYR 73 3.097 -6.833 -3.239 581 HD2 TYR 73 HD1 TYR 73 1.634 -7.133 -7.223 582 HE1 TYR 73 HE2 TYR 73 5.341 -6.317 -4.097 583 HE2 TYR 73 HE1 TYR 73 3.873 -6.620 -8.089 584 HH TYR 73 HH TYR 73 6.652 -6.647 -6.135 585 H LYS 74 H LYS 74 -0.963 -9.475 -5.837 586 HA LYS 74 HA LYS 74 0.955 -11.352 -7.048 587 HB2 LYS 74 1HB LYS 74 -2.017 -11.739 -6.631 588 HB3 LYS 74 2HB LYS 74 -1.027 -12.775 -7.652 589 HG2 LYS 74 1HG LYS 74 0.271 -13.492 -5.774 590 HG3 LYS 74 2HG LYS 74 -0.529 -12.327 -4.719 591 HD2 LYS 74 1HD LYS 74 -2.633 -13.496 -4.968 592 HD3 LYS 74 2HD LYS 74 -1.906 -14.612 -6.127 593 HE2 LYS 74 1HE LYS 74 -0.447 -15.500 -4.431 594 HE3 LYS 74 2HE LYS 74 -0.998 -14.294 -3.270 595 HZ1 LYS 74 3HZ LYS 74 -3.136 -15.284 -3.206 596 HZ2 LYS 74 1HZ LYS 74 -2.007 -16.529 -2.997 597 HZ3 LYS 74 2HZ LYS 74 -2.782 -16.328 -4.494 598 H GLY 75 H GLY 75 1.604 -9.996 -8.663 599 HA2 GLY 75 1HA GLY 75 1.450 -8.997 -10.746 600 HA3 GLY 75 2HA GLY 75 -0.239 -9.493 -10.816 601 H THR 76 H THR 76 -1.663 -7.914 -10.769 602 HA THR 76 HA THR 76 -0.893 -5.339 -9.576 603 HB THR 76 HB THR 76 -2.957 -4.491 -10.797 604 HG1 THR 76 HG1 THR 76 -3.094 -7.155 -11.400 605 HG21 THR 76 3HG2 THR 76 -0.714 -5.658 -12.448 606 HG22 THR 76 1HG2 THR 76 -0.696 -4.095 -11.632 607 HG23 THR 76 2HG2 THR 76 -1.814 -4.380 -12.966 608 H ARG 77 H ARG 77 -2.326 -8.077 -8.638 609 HA ARG 77 HA ARG 77 -4.652 -6.882 -7.354 610 HB2 ARG 77 1HB ARG 77 -4.839 -9.072 -8.517 611 HB3 ARG 77 2HB ARG 77 -3.723 -9.757 -7.344 612 HG2 ARG 77 1HG ARG 77 -5.280 -9.430 -5.566 613 HG3 ARG 77 2HG ARG 77 -6.360 -8.507 -6.614 614 HD2 ARG 77 1HD ARG 77 -6.669 -10.516 -8.012 615 HD3 ARG 77 2HD ARG 77 -5.654 -11.425 -6.894 616 HE ARG 77 HE ARG 77 -7.363 -11.031 -5.191 617 HH11 ARG 77 1HH1 ARG 77 -8.259 -10.524 -8.535 618 HH12 ARG 77 2HH1 ARG 77 -9.951 -10.835 -8.264 619 HH21 ARG 77 1HH2 ARG 77 -9.587 -11.426 -4.822 620 HH22 ARG 77 2HH2 ARG 77 -10.712 -11.323 -6.140 621 H PHE 78 H PHE 78 -4.343 -5.907 -5.505 622 HA PHE 78 HA PHE 78 -2.135 -6.371 -3.779 623 HB2 PHE 78 1HB PHE 78 -3.144 -4.177 -3.895 624 HB3 PHE 78 2HB PHE 78 -4.707 -4.821 -3.413 625 HD1 PHE 78 HD2 PHE 78 -1.241 -4.249 -2.221 626 HD2 PHE 78 HD1 PHE 78 -5.305 -4.951 -1.161 627 HE1 PHE 78 HE2 PHE 78 -0.709 -3.769 0.133 628 HE2 PHE 78 HE1 PHE 78 -4.778 -4.470 1.193 629 HZ PHE 78 HZ PHE 78 -2.478 -3.879 1.842 630 H VAL 79 H VAL 79 -1.909 -7.830 -2.222 631 HA VAL 79 HA VAL 79 -4.274 -9.335 -1.352 632 HB VAL 79 HB VAL 79 -1.346 -10.034 -1.046 633 HG11 VAL 79 1HG1 VAL 79 -3.818 -11.652 -0.436 634 HG12 VAL 79 2HG1 VAL 79 -2.701 -10.972 0.747 635 HG13 VAL 79 3HG1 VAL 79 -2.157 -12.239 -0.352 636 HG21 VAL 79 3HG2 VAL 79 -2.061 -10.126 -3.369 637 HG22 VAL 79 1HG2 VAL 79 -3.439 -11.132 -2.920 638 HG23 VAL 79 2HG2 VAL 79 -1.798 -11.752 -2.737 639 H GLY 80 H GLY 80 -1.222 -8.085 0.044 640 HA2 GLY 80 1HA GLY 80 -2.594 -6.823 2.214 641 HA3 GLY 80 2HA GLY 80 -1.847 -8.333 2.713 642 H PHE 81 H PHE 81 -1.127 -5.899 3.811 643 HA PHE 81 HA PHE 81 1.555 -5.449 2.686 644 HB2 PHE 81 1HB PHE 81 0.220 -3.419 2.623 645 HB3 PHE 81 2HB PHE 81 -0.204 -3.602 4.321 646 HD1 PHE 81 HD1 PHE 81 2.829 -3.318 2.161 647 HD2 PHE 81 HD2 PHE 81 0.953 -2.352 5.856 648 HE1 PHE 81 HE1 PHE 81 4.774 -1.946 2.786 649 HE2 PHE 81 HE2 PHE 81 2.892 -0.978 6.489 650 HZ PHE 81 HZ PHE 81 4.809 -0.775 4.954 651 H VAL 82 H VAL 82 3.300 -5.788 3.971 652 HA VAL 82 HA VAL 82 2.737 -6.775 6.693 653 HB VAL 82 HB VAL 82 5.019 -7.587 4.882 654 HG11 VAL 82 1HG1 VAL 82 5.608 -7.704 7.237 655 HG12 VAL 82 2HG1 VAL 82 5.437 -9.325 6.563 656 HG13 VAL 82 3HG1 VAL 82 4.157 -8.649 7.570 657 HG21 VAL 82 3HG2 VAL 82 2.885 -8.438 4.054 658 HG22 VAL 82 1HG2 VAL 82 2.536 -9.123 5.641 659 HG23 VAL 82 2HG2 VAL 82 3.885 -9.744 4.690 660 H SER 83 H SER 83 3.100 -4.945 7.855 661 HA SER 83 HA SER 83 5.285 -3.183 7.471 662 HB2 SER 83 1HB SER 83 3.246 -2.510 8.672 663 HB3 SER 83 2HB SER 83 3.591 -3.689 9.936 664 HG SER 83 HG SER 83 5.076 -1.356 9.254 665 H ARG 84 H ARG 84 7.270 -3.083 8.529 666 HA ARG 84 HA ARG 84 8.420 -5.555 9.308 667 HB2 ARG 84 1HB ARG 84 9.453 -2.746 9.706 668 HB3 ARG 84 2HB ARG 84 10.394 -4.209 9.951 669 HG2 ARG 84 1HG ARG 84 9.971 -4.753 7.532 670 HG3 ARG 84 2HG ARG 84 9.311 -3.122 7.370 671 HD2 ARG 84 1HD ARG 84 11.428 -2.192 8.169 672 HD3 ARG 84 2HD ARG 84 12.083 -3.818 8.327 673 HE ARG 84 HE ARG 84 11.859 -2.268 5.936 674 HH11 ARG 84 1HH1 ARG 84 11.787 -5.570 7.111 675 HH12 ARG 84 2HH1 ARG 84 12.529 -6.225 5.682 676 HH21 ARG 84 1HH2 ARG 84 12.878 -3.122 4.076 677 HH22 ARG 84 2HH2 ARG 84 13.182 -4.836 3.983 678 H THR 85 H THR 85 7.507 -2.657 11.098 679 HA THR 85 HA THR 85 7.456 -4.286 13.552 680 HB THR 85 HB THR 85 7.890 -1.309 13.570 681 HG1 THR 85 HG1 THR 85 9.600 -2.062 12.355 682 HG21 THR 85 3HG2 THR 85 8.938 -1.792 15.732 683 HG22 THR 85 1HG2 THR 85 8.642 -3.514 15.494 684 HG23 THR 85 2HG2 THR 85 7.285 -2.404 15.678 685 HA PRO 86 HA PRO 86 3.086 -2.950 12.784 686 HB2 PRO 86 1HB PRO 86 2.726 -5.272 14.598 687 HB3 PRO 86 2HB PRO 86 1.896 -4.887 13.086 688 HG2 PRO 86 1HG PRO 86 3.718 -6.831 13.190 689 HG3 PRO 86 2HG PRO 86 3.595 -5.768 11.776 690 HD2 PRO 86 1HD PRO 86 5.576 -5.726 14.016 691 HD3 PRO 86 2HD PRO 86 5.829 -5.439 12.282 692 H ASP 87 H ASP 87 1.439 -2.361 14.389 693 HA ASP 87 HA ASP 87 2.466 -0.594 16.237 694 HB2 ASP 87 1HB ASP 87 0.199 -0.429 15.313 695 HB3 ASP 87 2HB ASP 87 -0.287 -1.834 16.257 696 H ASN 88 H ASN 88 1.278 -3.874 16.834 697 HA ASN 88 HA ASN 88 1.519 -3.598 19.675 698 HB2 ASN 88 1HB ASN 88 0.584 -5.690 17.836 699 HB3 ASN 88 2HB ASN 88 1.306 -6.284 19.328 700 HD21 ASN 88 2HD2 ASN 88 0.510 -3.944 20.866 701 HD22 ASN 88 1HD2 ASN 88 -1.196 -4.087 21.127 702 H GLU 89 H GLU 89 3.820 -4.219 17.273 703 HA GLU 89 HA GLU 89 5.550 -5.684 19.089 704 HB2 GLU 89 1HB GLU 89 5.951 -4.658 16.285 705 HB3 GLU 89 2HB GLU 89 7.277 -5.312 17.238 706 HG2 GLU 89 1HG GLU 89 5.752 -7.367 17.541 707 HG3 GLU 89 2HG GLU 89 4.857 -6.709 16.172 708 H LEU 90 H LEU 90 4.602 -2.557 18.645 709 HA LEU 90 HA LEU 90 6.990 -1.547 20.036 710 HB2 LEU 90 1HB LEU 90 6.340 -0.365 17.937 711 HB3 LEU 90 2HB LEU 90 4.797 0.024 18.673 712 HG LEU 90 HG LEU 90 5.970 1.341 20.403 713 HD11 LEU 90 1HD1 LEU 90 8.096 0.136 20.379 714 HD12 LEU 90 2HD1 LEU 90 8.335 1.866 20.127 715 HD13 LEU 90 3HD1 LEU 90 8.429 0.754 18.762 716 HD21 LEU 90 3HD2 LEU 90 6.631 3.197 18.941 717 HD22 LEU 90 1HD2 LEU 90 5.122 2.451 18.414 718 HD23 LEU 90 2HD2 LEU 90 6.624 2.101 17.559 719 H GLU 91 H GLU 91 3.468 -1.483 19.974 720 HA GLU 91 HA GLU 91 3.211 -0.539 22.681 721 HB2 GLU 91 1HB GLU 91 1.564 -0.402 20.583 722 HB3 GLU 91 2HB GLU 91 0.987 -1.926 21.236 723 HG2 GLU 91 1HG GLU 91 1.079 0.696 22.713 724 HG3 GLU 91 2HG GLU 91 -0.351 -0.030 21.985 725 H HIS 92 H HIS 92 4.328 -2.004 23.953 726 HA HIS 92 HA HIS 92 3.847 -4.847 23.626 727 HB2 HIS 92 1HB HIS 92 5.860 -3.211 25.101 728 HB3 HIS 92 2HB HIS 92 5.569 -4.868 25.622 729 HD1 HIS 92 HD1 HIS 92 7.620 -2.975 23.360 730 HD2 HIS 92 HD2 HIS 92 5.860 -6.744 23.310 731 HE1 HIS 92 HE1 HIS 92 8.891 -4.296 21.646 732 HE2 HIS 92 HE2 HIS 92 7.959 -6.630 21.801 733 H HIS 93 H HIS 93 3.803 -6.126 25.781 734 HA HIS 93 HA HIS 93 1.252 -5.359 26.914 735 HB2 HIS 93 1HB HIS 93 2.895 -7.880 27.202 736 HB3 HIS 93 2HB HIS 93 1.298 -7.646 27.907 737 HD1 HIS 93 HD1 HIS 93 2.614 -9.431 25.278 738 HD2 HIS 93 HD2 HIS 93 -0.427 -6.594 25.465 739 HE1 HIS 93 HE1 HIS 93 1.211 -9.801 23.224 740 HE2 HIS 93 HE2 HIS 93 -0.586 -8.034 23.319 741 H HIS 94 H HIS 94 4.550 -5.256 27.877 742 HA HIS 94 HA HIS 94 3.793 -4.972 30.689 743 HB2 HIS 94 1HB HIS 94 6.379 -5.457 29.284 744 HB3 HIS 94 2HB HIS 94 6.422 -4.629 30.838 745 HD1 HIS 94 HD1 HIS 94 7.568 -6.605 32.016 746 HD2 HIS 94 HD2 HIS 94 3.892 -7.556 30.314 747 HE1 HIS 94 HE1 HIS 94 6.951 -8.857 32.944 748 HE2 HIS 94 HE2 HIS 94 4.642 -9.322 32.053 749 H HIS 95 H HIS 95 3.381 -3.081 31.512 750 HA HIS 95 HA HIS 95 4.543 -0.673 30.262 751 HB2 HIS 95 1HB HIS 95 1.728 -1.285 31.042 752 HB3 HIS 95 2HB HIS 95 2.307 0.358 31.273 753 HD1 HIS 95 HD1 HIS 95 1.522 1.758 29.427 754 HD2 HIS 95 HD2 HIS 95 2.564 -2.061 28.131 755 HE1 HIS 95 HE1 HIS 95 1.153 1.755 26.936 756 HE2 HIS 95 HE2 HIS 95 1.612 -0.614 26.203 757 H HIS 96 H HIS 96 4.729 1.170 31.682 758 HA HIS 96 HA HIS 96 4.657 0.530 34.555 759 HB2 HIS 96 1HB HIS 96 6.111 2.654 32.982 760 HB3 HIS 96 2HB HIS 96 5.849 2.822 34.714 761 HD1 HIS 96 HD1 HIS 96 8.195 1.494 32.327 762 HD2 HIS 96 HD2 HIS 96 7.020 0.550 36.204 763 HE1 HIS 96 HE1 HIS 96 10.030 0.048 33.263 764 HE2 HIS 96 HE2 HIS 96 9.415 -0.281 35.686 765 H HIS 97 H HIS 97 3.455 2.525 31.994 766 HA HIS 97 HA HIS 97 1.167 3.217 33.683 767 HB2 HIS 97 1HB HIS 97 2.544 5.242 33.508 768 HB3 HIS 97 2HB HIS 97 2.558 5.095 31.754 769 HD1 HIS 97 HD1 HIS 97 -0.106 5.371 34.473 770 HD2 HIS 97 HD2 HIS 97 0.706 6.689 30.611 771 HE1 HIS 97 HE1 HIS 97 -2.022 6.876 33.851 772 HE2 HIS 97 HE2 HIS 97 -1.398 7.829 31.603 Start of MODEL 2 1 H1 MET 1 1H MET 1 9.227 -16.721 -8.127 2 H2 MET 1 2H MET 1 8.619 -18.297 -8.262 3 H3 MET 1 3H MET 1 10.143 -17.919 -8.903 4 HA MET 1 HA MET 1 10.347 -19.147 -6.850 5 HB2 MET 1 1HB MET 1 12.022 -17.409 -7.503 6 HB3 MET 1 2HB MET 1 11.149 -16.250 -6.509 7 HG2 MET 1 1HG MET 1 11.624 -17.545 -4.524 8 HG3 MET 1 2HG MET 1 12.418 -18.784 -5.494 9 HE1 MET 1 3HE MET 1 14.600 -18.716 -4.063 10 HE2 MET 1 1HE MET 1 13.851 -17.532 -2.990 11 HE3 MET 1 2HE MET 1 15.464 -17.239 -3.640 12 H ALA 2 H ALA 2 8.179 -16.432 -6.736 13 HA ALA 2 HA ALA 2 7.290 -17.340 -4.087 14 HB1 ALA 2 3HB ALA 2 6.941 -15.035 -3.377 15 HB2 ALA 2 1HB ALA 2 7.596 -14.456 -4.909 16 HB3 ALA 2 2HB ALA 2 8.636 -15.321 -3.777 17 HA PRO 3 HA PRO 3 3.444 -17.496 -6.451 18 HB2 PRO 3 1HB PRO 3 2.406 -18.247 -3.785 19 HB3 PRO 3 2HB PRO 3 2.267 -19.100 -5.324 20 HG2 PRO 3 1HG PRO 3 3.881 -19.994 -3.390 21 HG3 PRO 3 2HG PRO 3 4.335 -20.118 -5.102 22 HD2 PRO 3 1HD PRO 3 5.258 -18.165 -3.027 23 HD3 PRO 3 2HD PRO 3 6.188 -18.973 -4.307 24 H LEU 4 H LEU 4 3.647 -16.269 -3.130 25 HA LEU 4 HA LEU 4 1.816 -14.093 -3.758 26 HB2 LEU 4 1HB LEU 4 1.668 -15.243 -1.561 27 HB3 LEU 4 2HB LEU 4 3.306 -14.736 -1.206 28 HG LEU 4 HG LEU 4 2.612 -12.403 -1.171 29 HD11 LEU 4 1HD1 LEU 4 -0.156 -13.468 -1.711 30 HD12 LEU 4 2HD1 LEU 4 0.818 -12.494 -2.813 31 HD13 LEU 4 3HD1 LEU 4 0.245 -11.803 -1.295 32 HD21 LEU 4 3HD2 LEU 4 2.526 -13.674 0.893 33 HD22 LEU 4 1HD2 LEU 4 0.888 -14.209 0.518 34 HD23 LEU 4 2HD2 LEU 4 1.207 -12.507 0.841 35 H GLN 5 H GLN 5 2.603 -12.262 -4.593 36 HA GLN 5 HA GLN 5 5.460 -11.945 -4.783 37 HB2 GLN 5 1HB GLN 5 3.211 -10.188 -5.792 38 HB3 GLN 5 2HB GLN 5 4.914 -9.981 -6.181 39 HG2 GLN 5 1HG GLN 5 4.956 -12.117 -7.310 40 HG3 GLN 5 2HG GLN 5 3.284 -12.422 -6.850 41 HE21 GLN 5 2HE2 GLN 5 4.513 -12.293 -9.484 42 HE22 GLN 5 1HE2 GLN 5 3.656 -11.073 -10.361 43 H GLN 6 H GLN 6 6.562 -11.113 -3.195 44 HA GLN 6 HA GLN 6 5.375 -8.954 -1.590 45 HB2 GLN 6 1HB GLN 6 7.024 -11.308 -0.678 46 HB3 GLN 6 2HB GLN 6 6.779 -9.879 0.313 47 HG2 GLN 6 1HG GLN 6 4.369 -10.272 0.285 48 HG3 GLN 6 2HG GLN 6 4.618 -11.705 -0.713 49 HE21 GLN 6 2HE2 GLN 6 3.468 -11.370 1.994 50 HE22 GLN 6 1HE2 GLN 6 4.378 -12.440 3.005 51 H LYS 7 H LYS 7 6.576 -7.201 -1.313 52 HA LYS 7 HA LYS 7 9.465 -7.335 -1.411 53 HB2 LYS 7 1HB LYS 7 8.620 -6.944 -3.802 54 HB3 LYS 7 2HB LYS 7 8.061 -5.376 -3.229 55 HG2 LYS 7 1HG LYS 7 10.507 -5.120 -2.387 56 HG3 LYS 7 2HG LYS 7 10.842 -6.390 -3.564 57 HD2 LYS 7 1HD LYS 7 9.755 -4.985 -5.300 58 HD3 LYS 7 2HD LYS 7 9.599 -3.697 -4.101 59 HE2 LYS 7 1HE LYS 7 12.116 -4.890 -5.233 60 HE3 LYS 7 2HE LYS 7 11.558 -3.220 -5.341 61 HZ1 LYS 7 3HZ LYS 7 11.771 -3.190 -2.831 62 HZ2 LYS 7 1HZ LYS 7 13.224 -3.241 -3.709 63 HZ3 LYS 7 2HZ LYS 7 12.629 -4.646 -2.975 64 H GLN 8 H GLN 8 10.425 -5.547 -0.351 65 HA GLN 8 HA GLN 8 8.633 -4.067 1.360 66 HB2 GLN 8 1HB GLN 8 11.640 -3.997 1.075 67 HB3 GLN 8 2HB GLN 8 10.738 -3.047 2.248 68 HG2 GLN 8 1HG GLN 8 9.824 -5.194 3.150 69 HG3 GLN 8 2HG GLN 8 10.956 -6.040 2.097 70 HE21 GLN 8 2HE2 GLN 8 10.743 -5.981 5.009 71 HE22 GLN 8 1HE2 GLN 8 12.283 -5.445 5.593 72 H VAL 9 H VAL 9 7.829 -2.154 0.999 73 HA VAL 9 HA VAL 9 9.055 -0.418 -1.036 74 HB VAL 9 HB VAL 9 6.729 0.297 -1.673 75 HG11 VAL 9 1HG1 VAL 9 7.431 -2.594 -2.182 76 HG12 VAL 9 2HG1 VAL 9 8.014 -1.204 -3.098 77 HG13 VAL 9 3HG1 VAL 9 6.302 -1.628 -3.131 78 HG21 VAL 9 3HG2 VAL 9 5.945 -2.176 -0.132 79 HG22 VAL 9 1HG2 VAL 9 4.877 -1.232 -1.171 80 HG23 VAL 9 2HG2 VAL 9 5.545 -0.511 0.294 81 H VAL 10 H VAL 10 8.035 1.845 -0.877 82 HA VAL 10 HA VAL 10 7.871 2.570 1.972 83 HB VAL 10 HB VAL 10 8.604 4.367 -0.348 84 HG11 VAL 10 1HG1 VAL 10 8.803 4.783 2.632 85 HG12 VAL 10 2HG1 VAL 10 7.648 5.555 1.545 86 HG13 VAL 10 3HG1 VAL 10 9.371 5.907 1.396 87 HG21 VAL 10 3HG2 VAL 10 10.909 4.229 0.475 88 HG22 VAL 10 1HG2 VAL 10 10.308 2.662 -0.067 89 HG23 VAL 10 2HG2 VAL 10 10.407 3.019 1.656 90 H VAL 11 H VAL 11 5.922 3.186 2.673 91 HA VAL 11 HA VAL 11 3.802 3.894 0.879 92 HB VAL 11 HB VAL 11 3.895 4.309 3.875 93 HG11 VAL 11 1HG1 VAL 11 1.579 4.027 1.961 94 HG12 VAL 11 2HG1 VAL 11 2.091 5.510 2.765 95 HG13 VAL 11 3HG1 VAL 11 1.448 4.169 3.714 96 HG21 VAL 11 3HG2 VAL 11 4.400 1.984 3.356 97 HG22 VAL 11 1HG2 VAL 11 2.974 1.892 2.321 98 HG23 VAL 11 2HG2 VAL 11 2.788 2.126 4.059 99 H SER 12 H SER 12 4.215 5.706 -0.271 100 HA SER 12 HA SER 12 5.763 7.865 0.719 101 HB2 SER 12 1HB SER 12 3.964 7.823 -1.710 102 HB3 SER 12 2HB SER 12 5.321 8.910 -1.417 103 HG SER 12 HG SER 12 5.577 6.862 -2.786 104 H ASN 13 H ASN 13 2.311 7.548 -0.016 105 HA ASN 13 HA ASN 13 1.410 9.235 2.027 106 HB2 ASN 13 1HB ASN 13 2.548 10.990 0.640 107 HB3 ASN 13 2HB ASN 13 1.487 10.574 -0.699 108 HD21 ASN 13 2HD2 ASN 13 0.626 12.632 -0.793 109 HD22 ASN 13 1HD2 ASN 13 -0.482 13.228 0.391 110 H LYS 14 H LYS 14 -0.956 9.814 1.633 111 HA LYS 14 HA LYS 14 -2.286 7.566 0.437 112 HB2 LYS 14 1HB LYS 14 -4.346 8.602 1.191 113 HB3 LYS 14 2HB LYS 14 -3.157 8.663 2.485 114 HG2 LYS 14 1HG LYS 14 -2.794 10.969 2.186 115 HG3 LYS 14 2HG LYS 14 -3.626 10.975 0.629 116 HD2 LYS 14 1HD LYS 14 -5.733 10.440 1.771 117 HD3 LYS 14 2HD LYS 14 -4.892 10.476 3.323 118 HE2 LYS 14 1HE LYS 14 -4.369 12.813 3.029 119 HE3 LYS 14 2HE LYS 14 -5.057 12.797 1.405 120 HZ1 LYS 14 3HZ LYS 14 -7.221 12.394 2.316 121 HZ2 LYS 14 1HZ LYS 14 -6.554 13.752 3.085 122 HZ3 LYS 14 2HZ LYS 14 -6.593 12.255 3.889 123 H ARG 15 H ARG 15 -3.814 7.687 -1.266 124 HA ARG 15 HA ARG 15 -3.556 10.055 -3.002 125 HB2 ARG 15 1HB ARG 15 -3.926 7.169 -3.844 126 HB3 ARG 15 2HB ARG 15 -3.929 8.549 -4.933 127 HG2 ARG 15 1HG ARG 15 -1.575 7.907 -3.186 128 HG3 ARG 15 2HG ARG 15 -1.795 7.174 -4.774 129 HD2 ARG 15 1HD ARG 15 -0.346 9.078 -4.987 130 HD3 ARG 15 2HD ARG 15 -1.883 9.440 -5.764 131 HE ARG 15 HE ARG 15 -1.910 10.384 -3.098 132 HH11 ARG 15 1HH1 ARG 15 -0.462 11.063 -6.210 133 HH12 ARG 15 2HH1 ARG 15 -0.306 12.764 -5.913 134 HH21 ARG 15 1HH2 ARG 15 -1.732 12.654 -2.715 135 HH22 ARG 15 2HH2 ARG 15 -1.052 13.671 -3.954 136 H GLU 16 H GLU 16 -5.477 10.776 -3.976 137 HA GLU 16 HA GLU 16 -7.931 9.421 -3.104 138 HB2 GLU 16 1HB GLU 16 -7.485 12.406 -2.870 139 HB3 GLU 16 2HB GLU 16 -8.938 11.526 -2.418 140 HG2 GLU 16 1HG GLU 16 -7.759 10.404 -0.640 141 HG3 GLU 16 2HG GLU 16 -6.243 11.153 -1.133 142 H LYS 17 H LYS 17 -8.318 8.710 -5.190 143 HA LYS 17 HA LYS 17 -8.932 10.848 -7.121 144 HB2 LYS 17 1HB LYS 17 -8.282 7.944 -7.646 145 HB3 LYS 17 2HB LYS 17 -8.741 9.111 -8.876 146 HG2 LYS 17 1HG LYS 17 -6.739 10.437 -8.328 147 HG3 LYS 17 2HG LYS 17 -6.269 9.198 -7.161 148 HD2 LYS 17 1HD LYS 17 -6.601 8.830 -10.138 149 HD3 LYS 17 2HD LYS 17 -5.078 8.867 -9.248 150 HE2 LYS 17 1HE LYS 17 -7.272 6.823 -8.909 151 HE3 LYS 17 2HE LYS 17 -5.761 6.574 -9.783 152 HZ1 LYS 17 3HZ LYS 17 -5.924 7.266 -6.898 153 HZ2 LYS 17 1HZ LYS 17 -4.534 6.821 -7.769 154 HZ3 LYS 17 2HZ LYS 17 -5.770 5.688 -7.483 155 HA PRO 18 HA PRO 18 -13.126 9.499 -6.073 156 HB2 PRO 18 1HB PRO 18 -13.791 11.874 -7.688 157 HB3 PRO 18 2HB PRO 18 -14.252 11.482 -6.029 158 HG2 PRO 18 1HG PRO 18 -12.466 13.409 -6.574 159 HG3 PRO 18 2HG PRO 18 -12.318 12.376 -5.139 160 HD2 PRO 18 1HD PRO 18 -10.853 12.219 -7.748 161 HD3 PRO 18 2HD PRO 18 -10.240 12.001 -6.095 162 H VAL 19 H VAL 19 -13.799 7.845 -7.263 163 HA VAL 19 HA VAL 19 -13.360 7.371 -9.953 164 HB VAL 19 HB VAL 19 -15.742 6.408 -8.356 165 HG11 VAL 19 1HG1 VAL 19 -14.391 5.250 -10.794 166 HG12 VAL 19 2HG1 VAL 19 -15.981 6.012 -10.743 167 HG13 VAL 19 3HG1 VAL 19 -15.704 4.492 -9.892 168 HG21 VAL 19 3HG2 VAL 19 -13.650 5.945 -7.185 169 HG22 VAL 19 1HG2 VAL 19 -13.000 5.179 -8.634 170 HG23 VAL 19 2HG2 VAL 19 -14.376 4.460 -7.797 171 H ASN 20 H ASN 20 -14.134 8.272 -11.748 172 HA ASN 20 HA ASN 20 -16.005 10.420 -11.573 173 HB2 ASN 20 1HB ASN 20 -14.065 10.247 -13.204 174 HB3 ASN 20 2HB ASN 20 -15.051 9.110 -14.121 175 HD21 ASN 20 2HD2 ASN 20 -15.247 10.407 -15.919 176 HD22 ASN 20 1HD2 ASN 20 -16.167 11.879 -15.920 177 H ASP 21 H ASP 21 -16.139 7.215 -13.112 178 HA ASP 21 HA ASP 21 -19.008 7.554 -13.539 179 HB2 ASP 21 1HB ASP 21 -17.587 6.657 -15.380 180 HB3 ASP 21 2HB ASP 21 -17.210 5.264 -14.370 181 H ARG 22 H ARG 22 -19.932 7.335 -11.542 182 HA ARG 22 HA ARG 22 -19.132 5.069 -9.883 183 HB2 ARG 22 1HB ARG 22 -21.001 7.360 -9.256 184 HB3 ARG 22 2HB ARG 22 -20.474 6.126 -8.119 185 HG2 ARG 22 1HG ARG 22 -18.149 6.896 -8.417 186 HG3 ARG 22 2HG ARG 22 -18.741 8.186 -9.466 187 HD2 ARG 22 1HD ARG 22 -20.156 8.979 -7.580 188 HD3 ARG 22 2HD ARG 22 -19.393 7.767 -6.552 189 HE ARG 22 HE ARG 22 -17.622 9.634 -7.912 190 HH11 ARG 22 1HH1 ARG 22 -19.320 8.807 -4.961 191 HH12 ARG 22 2HH1 ARG 22 -18.288 9.763 -3.945 192 HH21 ARG 22 1HH2 ARG 22 -16.288 10.912 -6.607 193 HH22 ARG 22 2HH2 ARG 22 -16.543 10.968 -4.883 194 H ARG 23 H ARG 23 -20.059 3.379 -11.031 195 HA ARG 23 HA ARG 23 -22.922 3.303 -11.392 196 HB2 ARG 23 1HB ARG 23 -20.886 1.076 -11.630 197 HB3 ARG 23 2HB ARG 23 -22.564 1.003 -12.156 198 HG2 ARG 23 1HG ARG 23 -22.121 2.803 -13.766 199 HG3 ARG 23 2HG ARG 23 -20.429 2.814 -13.264 200 HD2 ARG 23 1HD ARG 23 -20.276 0.429 -13.929 201 HD3 ARG 23 2HD ARG 23 -21.925 0.535 -14.547 202 HE ARG 23 HE ARG 23 -20.125 2.514 -15.627 203 HH11 ARG 23 1HH1 ARG 23 -21.495 -0.692 -15.978 204 HH12 ARG 23 2HH1 ARG 23 -21.064 -0.839 -17.652 205 HH21 ARG 23 1HH2 ARG 23 -19.590 2.351 -17.846 206 HH22 ARG 23 2HH2 ARG 23 -19.978 0.898 -18.720 207 H SER 24 H SER 24 -23.853 3.526 -9.443 208 HA SER 24 HA SER 24 -22.914 2.487 -7.035 209 HB2 SER 24 1HB SER 24 -25.749 3.258 -7.742 210 HB3 SER 24 2HB SER 24 -25.059 3.173 -6.121 211 HG SER 24 HG SER 24 -23.914 4.961 -6.475 212 H ARG 25 H ARG 25 -23.014 0.575 -6.127 213 HA ARG 25 HA ARG 25 -24.906 -1.427 -7.165 214 HB2 ARG 25 1HB ARG 25 -22.471 -1.799 -5.399 215 HB3 ARG 25 2HB ARG 25 -23.486 -3.085 -6.036 216 HG2 ARG 25 1HG ARG 25 -22.814 -2.525 -8.300 217 HG3 ARG 25 2HG ARG 25 -21.837 -1.187 -7.693 218 HD2 ARG 25 1HD ARG 25 -20.498 -2.813 -6.394 219 HD3 ARG 25 2HD ARG 25 -21.431 -4.121 -7.122 220 HE ARG 25 HE ARG 25 -20.468 -2.693 -9.241 221 HH11 ARG 25 1HH1 ARG 25 -19.057 -4.383 -6.518 222 HH12 ARG 25 2HH1 ARG 25 -17.557 -4.702 -7.332 223 HH21 ARG 25 1HH2 ARG 25 -18.483 -3.105 -10.311 224 HH22 ARG 25 2HH2 ARG 25 -17.213 -3.944 -9.478 225 H GLN 26 H GLN 26 -25.430 -3.046 -5.167 226 HA GLN 26 HA GLN 26 -26.765 -1.383 -3.202 227 HB2 GLN 26 1HB GLN 26 -27.889 -3.372 -4.177 228 HB3 GLN 26 2HB GLN 26 -26.677 -4.398 -3.421 229 HG2 GLN 26 1HG GLN 26 -27.394 -3.601 -1.216 230 HG3 GLN 26 2HG GLN 26 -28.634 -2.615 -1.990 231 HE21 GLN 26 2HE2 GLN 26 -28.904 -4.764 -0.057 232 HE22 GLN 26 1HE2 GLN 26 -29.934 -5.944 -0.799 233 H GLN 27 H GLN 27 -24.141 -3.704 -3.377 234 HA GLN 27 HA GLN 27 -23.284 -2.861 -0.690 235 HB2 GLN 27 1HB GLN 27 -22.853 -5.556 -1.996 236 HB3 GLN 27 2HB GLN 27 -22.241 -5.074 -0.422 237 HG2 GLN 27 1HG GLN 27 -24.551 -4.837 0.380 238 HG3 GLN 27 2HG GLN 27 -25.134 -5.388 -1.192 239 HE21 GLN 27 2HE2 GLN 27 -25.486 -6.548 1.457 240 HE22 GLN 27 1HE2 GLN 27 -24.857 -8.159 1.372 241 H GLU 28 H GLU 28 -21.083 -2.464 -0.421 242 HA GLU 28 HA GLU 28 -19.333 -2.774 -2.729 243 HB2 GLU 28 1HB GLU 28 -20.437 -0.434 -2.668 244 HB3 GLU 28 2HB GLU 28 -19.412 -0.138 -1.270 245 HG2 GLU 28 1HG GLU 28 -17.442 -0.705 -2.692 246 HG3 GLU 28 2HG GLU 28 -18.534 -0.772 -4.074 247 H VAL 29 H VAL 29 -17.032 -1.900 -1.950 248 HA VAL 29 HA VAL 29 -16.434 -3.496 0.394 249 HB VAL 29 HB VAL 29 -14.432 -1.958 -1.261 250 HG11 VAL 29 1HG1 VAL 29 -13.610 -2.951 0.817 251 HG12 VAL 29 2HG1 VAL 29 -12.907 -3.744 -0.592 252 HG13 VAL 29 3HG1 VAL 29 -14.208 -4.529 0.304 253 HG21 VAL 29 3HG2 VAL 29 -15.814 -3.228 -2.814 254 HG22 VAL 29 1HG2 VAL 29 -15.561 -4.691 -1.862 255 HG23 VAL 29 2HG2 VAL 29 -14.202 -3.934 -2.694 256 H SER 30 H SER 30 -17.477 -0.452 0.039 257 HA SER 30 HA SER 30 -15.673 0.762 1.991 258 HB2 SER 30 1HB SER 30 -17.979 2.016 0.479 259 HB3 SER 30 2HB SER 30 -16.765 2.863 1.440 260 HG SER 30 HG SER 30 -16.646 2.030 -1.138 261 HA PRO 31 HA PRO 31 -18.852 -0.354 4.993 262 HB2 PRO 31 1HB PRO 31 -16.909 0.100 7.054 263 HB3 PRO 31 2HB PRO 31 -17.512 -1.442 6.450 264 HG2 PRO 31 1HG PRO 31 -14.931 -0.531 6.122 265 HG3 PRO 31 2HG PRO 31 -15.709 -1.747 5.094 266 HD2 PRO 31 1HD PRO 31 -15.298 1.175 4.599 267 HD3 PRO 31 2HD PRO 31 -15.190 -0.188 3.465 268 H ALA 32 H ALA 32 -19.265 0.676 7.315 269 HA ALA 32 HA ALA 32 -20.027 3.387 6.808 270 HB1 ALA 32 3HB ALA 32 -21.071 3.288 9.002 271 HB2 ALA 32 1HB ALA 32 -20.228 1.779 9.349 272 HB3 ALA 32 2HB ALA 32 -21.438 1.839 8.068 273 H GLY 33 H GLY 33 -17.062 2.609 7.196 274 HA2 GLY 33 1HA GLY 33 -16.289 4.240 9.462 275 HA3 GLY 33 2HA GLY 33 -15.205 3.464 8.313 276 H THR 34 H THR 34 -16.634 4.581 6.009 277 HA THR 34 HA THR 34 -16.650 7.399 6.131 278 HB THR 34 HB THR 34 -14.220 7.159 6.351 279 HG1 THR 34 HG1 THR 34 -14.358 8.932 5.214 280 HG21 THR 34 3HG2 THR 34 -13.920 4.995 5.264 281 HG22 THR 34 1HG2 THR 34 -12.874 6.211 4.529 282 HG23 THR 34 2HG2 THR 34 -14.350 5.703 3.707 283 H SER 35 H SER 35 -17.483 8.286 4.269 284 HA SER 35 HA SER 35 -18.390 6.384 2.246 285 HB2 SER 35 1HB SER 35 -19.754 8.375 1.470 286 HB3 SER 35 2HB SER 35 -20.110 7.822 3.107 287 HG SER 35 HG SER 35 -19.859 10.130 2.913 288 H MET 36 H MET 36 -15.724 8.127 2.743 289 HA MET 36 HA MET 36 -15.398 9.023 -0.027 290 HB2 MET 36 1HB MET 36 -13.761 9.560 2.457 291 HB3 MET 36 2HB MET 36 -13.343 10.141 0.850 292 HG2 MET 36 1HG MET 36 -15.271 11.519 0.750 293 HG3 MET 36 2HG MET 36 -15.949 10.781 2.200 294 HE1 MET 36 3HE MET 36 -13.637 12.135 5.016 295 HE2 MET 36 1HE MET 36 -13.524 10.597 4.162 296 HE3 MET 36 2HE MET 36 -15.102 11.227 4.638 297 H ARG 37 H ARG 37 -13.033 8.700 -0.827 298 HA ARG 37 HA ARG 37 -12.356 5.887 -0.315 299 HB2 ARG 37 1HB ARG 37 -12.150 7.466 -2.885 300 HB3 ARG 37 2HB ARG 37 -11.480 5.857 -2.663 301 HG2 ARG 37 1HG ARG 37 -14.402 6.512 -2.339 302 HG3 ARG 37 2HG ARG 37 -13.680 5.921 -3.835 303 HD2 ARG 37 1HD ARG 37 -14.694 4.085 -2.612 304 HD3 ARG 37 2HD ARG 37 -12.944 3.889 -2.663 305 HE ARG 37 HE ARG 37 -14.263 5.042 -0.294 306 HH11 ARG 37 1HH1 ARG 37 -12.350 2.503 -1.757 307 HH12 ARG 37 2HH1 ARG 37 -11.739 1.913 -0.245 308 HH21 ARG 37 1HH2 ARG 37 -13.482 4.262 1.698 309 HH22 ARG 37 2HH2 ARG 37 -12.393 2.909 1.722 310 H TYR 38 H TYR 38 -10.325 5.365 0.163 311 HA TYR 38 HA TYR 38 -8.257 7.443 -0.036 312 HB2 TYR 38 1HB TYR 38 -8.712 5.485 2.227 313 HB3 TYR 38 2HB TYR 38 -7.258 6.461 2.050 314 HD1 TYR 38 HD1 TYR 38 -7.456 8.966 2.167 315 HD2 TYR 38 HD2 TYR 38 -10.668 6.376 3.211 316 HE1 TYR 38 HE1 TYR 38 -8.530 10.801 3.395 317 HE2 TYR 38 HE2 TYR 38 -11.752 8.211 4.438 318 HH TYR 38 HH TYR 38 -10.772 11.448 4.129 319 H GLU 39 H GLU 39 -6.336 6.797 -0.821 320 HA GLU 39 HA GLU 39 -5.982 3.943 -1.442 321 HB2 GLU 39 1HB GLU 39 -5.157 6.264 -3.198 322 HB3 GLU 39 2HB GLU 39 -4.999 4.555 -3.574 323 HG2 GLU 39 1HG GLU 39 -7.382 4.311 -3.719 324 HG3 GLU 39 2HG GLU 39 -7.621 5.972 -3.177 325 H ALA 40 H ALA 40 -3.700 3.344 -1.742 326 HA ALA 40 HA ALA 40 -1.905 5.109 -0.206 327 HB1 ALA 40 3HB ALA 40 -1.870 2.094 -0.306 328 HB2 ALA 40 1HB ALA 40 -2.452 3.078 1.037 329 HB3 ALA 40 2HB ALA 40 -0.747 3.115 0.590 330 H SER 41 H SER 41 -0.059 5.709 -1.136 331 HA SER 41 HA SER 41 0.582 4.608 -3.778 332 HB2 SER 41 1HB SER 41 0.281 7.089 -3.515 333 HB3 SER 41 2HB SER 41 1.682 7.101 -2.444 334 HG SER 41 HG SER 41 2.937 6.337 -4.194 335 H PHE 42 H PHE 42 2.051 3.053 -3.816 336 HA PHE 42 HA PHE 42 4.072 2.942 -1.682 337 HB2 PHE 42 1HB PHE 42 3.184 0.795 -3.626 338 HB3 PHE 42 2HB PHE 42 4.375 0.586 -2.347 339 HD1 PHE 42 HD2 PHE 42 3.623 0.887 0.049 340 HD2 PHE 42 HD1 PHE 42 0.907 0.514 -3.205 341 HE1 PHE 42 HE2 PHE 42 1.834 0.272 1.621 342 HE2 PHE 42 HE1 PHE 42 -0.890 -0.101 -1.638 343 HZ PHE 42 HZ PHE 42 -0.426 -0.223 0.777 344 H LYS 43 H LYS 43 6.094 3.457 -2.117 345 HA LYS 43 HA LYS 43 6.849 3.982 -4.892 346 HB2 LYS 43 1HB LYS 43 7.199 5.784 -3.310 347 HB3 LYS 43 2HB LYS 43 8.139 4.733 -2.262 348 HG2 LYS 43 1HG LYS 43 9.832 4.530 -4.052 349 HG3 LYS 43 2HG LYS 43 8.909 5.681 -5.016 350 HD2 LYS 43 1HD LYS 43 9.746 6.404 -2.240 351 HD3 LYS 43 2HD LYS 43 10.914 6.494 -3.555 352 HE2 LYS 43 1HE LYS 43 9.898 8.655 -3.232 353 HE3 LYS 43 2HE LYS 43 9.390 7.986 -4.779 354 HZ1 LYS 43 3HZ LYS 43 7.258 7.505 -3.935 355 HZ2 LYS 43 1HZ LYS 43 7.613 9.078 -3.418 356 HZ3 LYS 43 2HZ LYS 43 7.728 7.783 -2.334 357 HA PRO 44 HA PRO 44 9.377 0.266 -4.860 358 HB2 PRO 44 1HB PRO 44 10.182 1.066 -7.541 359 HB3 PRO 44 2HB PRO 44 9.209 -0.319 -7.042 360 HG2 PRO 44 1HG PRO 44 8.185 1.783 -8.420 361 HG3 PRO 44 2HG PRO 44 7.233 0.817 -7.279 362 HD2 PRO 44 1HD PRO 44 8.522 3.493 -6.876 363 HD3 PRO 44 2HD PRO 44 6.919 2.922 -6.359 364 H LEU 45 H LEU 45 11.180 0.440 -3.705 365 HA LEU 45 HA LEU 45 12.987 2.589 -3.740 366 HB2 LEU 45 1HB LEU 45 13.249 -0.239 -2.737 367 HB3 LEU 45 2HB LEU 45 14.480 0.984 -2.480 368 HG LEU 45 HG LEU 45 11.637 1.327 -1.547 369 HD11 LEU 45 1HD1 LEU 45 13.994 0.253 -0.004 370 HD12 LEU 45 2HD1 LEU 45 12.576 -0.671 -0.503 371 HD13 LEU 45 3HD1 LEU 45 12.409 0.644 0.663 372 HD21 LEU 45 3HD2 LEU 45 12.963 3.366 -1.780 373 HD22 LEU 45 1HD2 LEU 45 14.232 2.662 -0.776 374 HD23 LEU 45 2HD2 LEU 45 12.646 3.005 -0.083 375 H ASN 46 H ASN 46 12.724 -0.112 -5.826 376 HA ASN 46 HA ASN 46 15.517 0.147 -6.681 377 HB2 ASN 46 1HB ASN 46 13.528 -2.096 -7.098 378 HB3 ASN 46 2HB ASN 46 15.147 -2.070 -7.789 379 HD21 ASN 46 2HD2 ASN 46 16.882 -2.533 -6.516 380 HD22 ASN 46 1HD2 ASN 46 16.746 -3.078 -4.873 381 H GLY 47 H GLY 47 13.212 1.868 -7.385 382 HA2 GLY 47 1HA GLY 47 12.828 3.143 -9.294 383 HA3 GLY 47 2HA GLY 47 13.744 1.968 -10.227 384 H GLY 48 H GLY 48 10.982 3.301 -10.417 385 HA2 GLY 48 1HA GLY 48 9.637 1.706 -12.036 386 HA3 GLY 48 2HA GLY 48 9.262 0.949 -10.494 387 H LEU 49 H LEU 49 7.192 1.846 -11.921 388 HA LEU 49 HA LEU 49 6.442 4.505 -11.099 389 HB2 LEU 49 1HB LEU 49 5.640 3.557 -13.221 390 HB3 LEU 49 2HB LEU 49 4.817 2.280 -12.344 391 HG LEU 49 HG LEU 49 3.367 3.994 -11.282 392 HD11 LEU 49 1HD1 LEU 49 4.869 5.906 -11.455 393 HD12 LEU 49 2HD1 LEU 49 3.313 6.249 -12.210 394 HD13 LEU 49 3HD1 LEU 49 4.716 5.875 -13.213 395 HD21 LEU 49 3HD2 LEU 49 3.369 3.996 -14.298 396 HD22 LEU 49 1HD2 LEU 49 2.007 4.422 -13.262 397 HD23 LEU 49 2HD2 LEU 49 2.630 2.772 -13.263 398 H GLU 50 H GLU 50 5.397 5.050 -9.286 399 HA GLU 50 HA GLU 50 5.144 3.277 -7.139 400 HB2 GLU 50 1HB GLU 50 3.826 5.963 -7.565 401 HB3 GLU 50 2HB GLU 50 3.860 5.095 -6.036 402 HG2 GLU 50 1HG GLU 50 6.333 5.187 -6.096 403 HG3 GLU 50 2HG GLU 50 6.222 6.181 -7.548 404 H LYS 51 H LYS 51 3.465 2.172 -6.271 405 HA LYS 51 HA LYS 51 1.264 1.643 -8.120 406 HB2 LYS 51 1HB LYS 51 2.157 0.129 -5.659 407 HB3 LYS 51 2HB LYS 51 0.898 -0.383 -6.775 408 HG2 LYS 51 1HG LYS 51 2.569 -0.471 -8.579 409 HG3 LYS 51 2HG LYS 51 3.818 -0.044 -7.413 410 HD2 LYS 51 1HD LYS 51 3.371 -2.080 -6.158 411 HD3 LYS 51 2HD LYS 51 2.068 -2.495 -7.275 412 HE2 LYS 51 1HE LYS 51 4.988 -2.221 -7.972 413 HE3 LYS 51 2HE LYS 51 4.097 -3.733 -7.810 414 HZ1 LYS 51 3HZ LYS 51 2.707 -3.089 -9.666 415 HZ2 LYS 51 1HZ LYS 51 4.339 -3.059 -10.128 416 HZ3 LYS 51 2HZ LYS 51 3.524 -1.609 -9.814 417 H THR 52 H THR 52 -0.859 1.913 -7.600 418 HA THR 52 HA THR 52 -1.417 3.176 -4.996 419 HB THR 52 HB THR 52 -2.808 3.857 -7.593 420 HG1 THR 52 HG1 THR 52 -0.384 4.563 -6.855 421 HG21 THR 52 3HG2 THR 52 -2.823 5.177 -4.875 422 HG22 THR 52 1HG2 THR 52 -4.142 4.247 -5.585 423 HG23 THR 52 2HG2 THR 52 -3.652 5.777 -6.312 424 H PHE 53 H PHE 53 -2.706 1.936 -3.825 425 HA PHE 53 HA PHE 53 -4.778 0.355 -5.206 426 HB2 PHE 53 1HB PHE 53 -3.289 -0.343 -2.662 427 HB3 PHE 53 2HB PHE 53 -4.605 -1.281 -3.359 428 HD1 PHE 53 HD1 PHE 53 -4.274 -2.307 -5.641 429 HD2 PHE 53 HD2 PHE 53 -1.080 -0.652 -3.366 430 HE1 PHE 53 HE1 PHE 53 -2.658 -3.572 -6.995 431 HE2 PHE 53 HE2 PHE 53 0.542 -1.910 -4.722 432 HZ PHE 53 HZ PHE 53 -0.247 -3.373 -6.538 433 H ARG 54 H ARG 54 -6.831 0.536 -4.479 434 HA ARG 54 HA ARG 54 -7.426 2.678 -2.650 435 HB2 ARG 54 1HB ARG 54 -9.260 0.752 -4.097 436 HB3 ARG 54 2HB ARG 54 -9.795 2.142 -3.163 437 HG2 ARG 54 1HG ARG 54 -8.496 3.597 -4.709 438 HG3 ARG 54 2HG ARG 54 -8.162 2.169 -5.690 439 HD2 ARG 54 1HD ARG 54 -10.924 3.167 -5.006 440 HD3 ARG 54 2HD ARG 54 -10.075 3.540 -6.504 441 HE ARG 54 HE ARG 54 -10.014 0.930 -6.661 442 HH11 ARG 54 1HH1 ARG 54 -12.645 2.928 -5.500 443 HH12 ARG 54 2HH1 ARG 54 -13.891 1.826 -6.001 444 HH21 ARG 54 1HH2 ARG 54 -11.641 -0.518 -7.353 445 HH22 ARG 54 2HH2 ARG 54 -13.309 -0.136 -7.066 446 H LEU 55 H LEU 55 -8.153 2.528 -0.589 447 HA LEU 55 HA LEU 55 -8.229 -0.179 0.574 448 HB2 LEU 55 1HB LEU 55 -6.894 2.295 1.668 449 HB3 LEU 55 2HB LEU 55 -7.095 0.800 2.566 450 HG LEU 55 HG LEU 55 -5.462 1.137 0.046 451 HD11 LEU 55 1HD1 LEU 55 -4.628 0.723 2.915 452 HD12 LEU 55 2HD1 LEU 55 -4.448 2.210 1.984 453 HD13 LEU 55 3HD1 LEU 55 -3.547 0.765 1.521 454 HD21 LEU 55 3HD2 LEU 55 -6.443 -1.089 0.194 455 HD22 LEU 55 1HD2 LEU 55 -5.835 -1.261 1.840 456 HD23 LEU 55 2HD2 LEU 55 -4.706 -1.149 0.490 457 H GLN 56 H GLN 56 -9.203 -0.241 2.746 458 HA GLN 56 HA GLN 56 -11.526 1.504 3.014 459 HB2 GLN 56 1HB GLN 56 -10.600 -0.834 4.702 460 HB3 GLN 56 2HB GLN 56 -12.108 0.037 4.922 461 HG2 GLN 56 1HG GLN 56 -12.905 -0.729 2.775 462 HG3 GLN 56 2HG GLN 56 -11.363 -1.528 2.464 463 HE21 GLN 56 2HE2 GLN 56 -14.102 -2.614 2.669 464 HE22 GLN 56 1HE2 GLN 56 -14.012 -3.855 3.881 465 H ALA 57 H ALA 57 -11.969 2.203 5.394 466 HA ALA 57 HA ALA 57 -9.908 3.926 6.264 467 HB1 ALA 57 3HB ALA 57 -11.342 4.376 8.187 468 HB2 ALA 57 1HB ALA 57 -12.348 2.988 7.774 469 HB3 ALA 57 2HB ALA 57 -12.275 4.378 6.690 470 H GLN 58 H GLN 58 -11.090 0.823 7.472 471 HA GLN 58 HA GLN 58 -9.321 0.672 9.680 472 HB2 GLN 58 1HB GLN 58 -10.818 -1.523 8.234 473 HB3 GLN 58 2HB GLN 58 -10.058 -1.676 9.814 474 HG2 GLN 58 1HG GLN 58 -11.568 -0.015 10.731 475 HG3 GLN 58 2HG GLN 58 -12.297 0.224 9.146 476 HE21 GLN 58 2HE2 GLN 58 -13.525 -0.588 11.649 477 HE22 GLN 58 1HE2 GLN 58 -14.262 -2.127 11.358 478 H GLN 59 H GLN 59 -8.983 -0.019 6.320 479 HA GLN 59 HA GLN 59 -6.600 -1.628 6.659 480 HB2 GLN 59 1HB GLN 59 -7.756 -0.372 4.163 481 HB3 GLN 59 2HB GLN 59 -6.451 -1.549 4.211 482 HG2 GLN 59 1HG GLN 59 -7.979 -3.213 5.135 483 HG3 GLN 59 2HG GLN 59 -9.288 -2.030 5.102 484 HE21 GLN 59 2HE2 GLN 59 -9.147 -4.586 3.769 485 HE22 GLN 59 1HE2 GLN 59 -9.280 -4.263 2.071 486 H TYR 60 H TYR 60 -7.500 1.668 6.012 487 HA TYR 60 HA TYR 60 -4.945 2.674 5.323 488 HB2 TYR 60 1HB TYR 60 -7.180 3.790 4.932 489 HB3 TYR 60 2HB TYR 60 -7.218 4.169 6.648 490 HD1 TYR 60 HD1 TYR 60 -5.191 4.685 3.571 491 HD2 TYR 60 HD2 TYR 60 -6.239 6.140 7.430 492 HE1 TYR 60 HE1 TYR 60 -3.961 6.764 3.114 493 HE2 TYR 60 HE2 TYR 60 -5.009 8.221 6.983 494 HH TYR 60 HH TYR 60 -3.221 9.035 5.540 495 H HIS 61 H HIS 61 -6.467 1.825 8.299 496 HA HIS 61 HA HIS 61 -4.596 3.215 9.996 497 HB2 HIS 61 1HB HIS 61 -6.873 1.339 10.417 498 HB3 HIS 61 2HB HIS 61 -5.672 1.469 11.695 499 HD1 HIS 61 HD1 HIS 61 -6.161 3.187 13.378 500 HD2 HIS 61 HD2 HIS 61 -7.927 4.076 9.714 501 HE1 HIS 61 HE1 HIS 61 -7.505 5.277 13.761 502 HE2 HIS 61 HE2 HIS 61 -8.672 5.723 11.574 503 H ALA 62 H ALA 62 -4.360 0.475 8.100 504 HA ALA 62 HA ALA 62 -2.825 -1.094 10.017 505 HB1 ALA 62 3HB ALA 62 -4.518 -2.230 8.674 506 HB2 ALA 62 1HB ALA 62 -2.906 -2.871 8.360 507 HB3 ALA 62 2HB ALA 62 -3.659 -1.774 7.202 508 H LEU 63 H LEU 63 -2.162 1.270 7.737 509 HA LEU 63 HA LEU 63 0.641 0.475 7.751 510 HB2 LEU 63 1HB LEU 63 0.711 1.356 5.293 511 HB3 LEU 63 2HB LEU 63 0.284 -0.306 5.641 512 HG LEU 63 HG LEU 63 -2.162 0.519 5.520 513 HD11 LEU 63 1HD1 LEU 63 -2.524 2.421 4.040 514 HD12 LEU 63 2HD1 LEU 63 -0.792 2.748 4.036 515 HD13 LEU 63 3HD1 LEU 63 -1.715 2.906 5.530 516 HD21 LEU 63 3HD2 LEU 63 -0.435 0.399 3.058 517 HD22 LEU 63 1HD2 LEU 63 -2.186 0.201 3.095 518 HD23 LEU 63 2HD2 LEU 63 -1.148 -0.976 3.901 519 H THR 64 H THR 64 2.104 2.118 7.782 520 HA THR 64 HA THR 64 0.935 4.780 8.272 521 HB THR 64 HB THR 64 3.548 3.669 9.323 522 HG1 THR 64 HG1 THR 64 1.277 2.845 10.043 523 HG21 THR 64 3HG2 THR 64 3.457 5.555 10.880 524 HG22 THR 64 1HG2 THR 64 1.966 6.118 10.124 525 HG23 THR 64 2HG2 THR 64 3.475 6.121 9.210 526 H VAL 65 H VAL 65 1.718 6.542 7.231 527 HA VAL 65 HA VAL 65 3.234 6.256 4.861 528 HB VAL 65 HB VAL 65 2.506 8.708 6.472 529 HG11 VAL 65 1HG1 VAL 65 4.516 9.190 5.176 530 HG12 VAL 65 2HG1 VAL 65 3.119 10.023 4.494 531 HG13 VAL 65 3HG1 VAL 65 3.740 8.564 3.720 532 HG21 VAL 65 3HG2 VAL 65 1.413 7.560 3.909 533 HG22 VAL 65 1HG2 VAL 65 0.871 9.049 4.684 534 HG23 VAL 65 2HG2 VAL 65 0.634 7.498 5.491 535 H GLY 66 H GLY 66 5.349 6.298 4.497 536 HA2 GLY 66 1HA GLY 66 7.594 6.911 4.885 537 HA3 GLY 66 2HA GLY 66 7.167 7.353 6.532 538 H ASP 67 H ASP 67 5.656 4.742 6.759 539 HA ASP 67 HA ASP 67 7.885 3.304 7.865 540 HB2 ASP 67 1HB ASP 67 5.718 3.347 9.029 541 HB3 ASP 67 2HB ASP 67 4.976 2.495 7.679 542 H GLN 68 H GLN 68 9.183 2.649 6.247 543 HA GLN 68 HA GLN 68 8.460 1.263 3.924 544 HB2 GLN 68 1HB GLN 68 10.966 0.784 5.542 545 HB3 GLN 68 2HB GLN 68 10.746 0.512 3.822 546 HG2 GLN 68 1HG GLN 68 10.535 2.907 3.458 547 HG3 GLN 68 2HG GLN 68 10.722 3.192 5.188 548 HE21 GLN 68 2HE2 GLN 68 12.360 4.140 2.982 549 HE22 GLN 68 1HE2 GLN 68 13.959 3.555 3.287 550 H GLY 69 H GLY 69 7.740 -0.770 3.578 551 HA2 GLY 69 1HA GLY 69 8.292 -2.898 5.447 552 HA3 GLY 69 2HA GLY 69 6.625 -2.340 5.489 553 H THR 70 H THR 70 6.888 -4.871 4.877 554 HA THR 70 HA THR 70 7.361 -5.301 2.065 555 HB THR 70 HB THR 70 6.325 -7.261 4.124 556 HG1 THR 70 HG1 THR 70 8.847 -7.750 3.693 557 HG21 THR 70 3HG2 THR 70 7.753 -7.687 1.495 558 HG22 THR 70 1HG2 THR 70 6.039 -7.975 1.794 559 HG23 THR 70 2HG2 THR 70 7.255 -8.952 2.618 560 H LEU 71 H LEU 71 5.848 -5.736 0.518 561 HA LEU 71 HA LEU 71 3.026 -5.484 1.324 562 HB2 LEU 71 1HB LEU 71 3.815 -3.584 -0.005 563 HB3 LEU 71 2HB LEU 71 4.357 -4.677 -1.264 564 HG LEU 71 HG LEU 71 2.013 -5.351 -1.667 565 HD11 LEU 71 1HD1 LEU 71 0.203 -4.060 -0.658 566 HD12 LEU 71 2HD1 LEU 71 1.372 -3.206 0.348 567 HD13 LEU 71 3HD1 LEU 71 1.127 -4.939 0.561 568 HD21 LEU 71 3HD2 LEU 71 3.001 -3.575 -3.000 569 HD22 LEU 71 1HD2 LEU 71 2.523 -2.382 -1.792 570 HD23 LEU 71 2HD2 LEU 71 1.292 -3.253 -2.707 571 H SER 72 H SER 72 1.747 -7.144 0.898 572 HA SER 72 HA SER 72 2.756 -9.325 -0.807 573 HB2 SER 72 1HB SER 72 0.524 -9.360 1.240 574 HB3 SER 72 2HB SER 72 1.222 -10.752 0.414 575 HG SER 72 HG SER 72 2.784 -9.011 1.998 576 H TYR 73 H TYR 73 1.963 -9.311 -2.805 577 HA TYR 73 HA TYR 73 -0.901 -8.899 -3.156 578 HB2 TYR 73 1HB TYR 73 -0.580 -7.371 -5.054 579 HB3 TYR 73 2HB TYR 73 0.039 -6.683 -3.559 580 HD1 TYR 73 HD2 TYR 73 2.482 -6.455 -3.219 581 HD2 TYR 73 HD1 TYR 73 0.873 -7.873 -6.893 582 HE1 TYR 73 HE2 TYR 73 4.636 -6.022 -4.325 583 HE2 TYR 73 HE1 TYR 73 3.020 -7.442 -8.006 584 HH TYR 73 HH TYR 73 4.994 -6.123 -7.750 585 H LYS 74 H LYS 74 -1.612 -9.530 -5.353 586 HA LYS 74 HA LYS 74 0.189 -11.473 -6.631 587 HB2 LYS 74 1HB LYS 74 -2.746 -11.909 -6.022 588 HB3 LYS 74 2HB LYS 74 -1.737 -12.991 -6.969 589 HG2 LYS 74 1HG LYS 74 -0.424 -13.558 -5.064 590 HG3 LYS 74 2HG LYS 74 -1.193 -12.300 -4.093 591 HD2 LYS 74 1HD LYS 74 -3.359 -13.490 -4.375 592 HD3 LYS 74 2HD LYS 74 -2.494 -14.786 -5.203 593 HE2 LYS 74 1HE LYS 74 -1.196 -15.242 -3.226 594 HE3 LYS 74 2HE LYS 74 -1.906 -13.856 -2.397 595 HZ1 LYS 74 3HZ LYS 74 -3.297 -16.340 -3.237 596 HZ2 LYS 74 1HZ LYS 74 -4.087 -14.970 -2.622 597 HZ3 LYS 74 2HZ LYS 74 -2.992 -15.822 -1.650 598 H GLY 75 H GLY 75 0.526 -10.724 -8.624 599 HA2 GLY 75 1HA GLY 75 0.094 -9.819 -10.700 600 HA3 GLY 75 2HA GLY 75 -1.624 -9.998 -10.359 601 H THR 76 H THR 76 -2.728 -8.157 -10.218 602 HA THR 76 HA THR 76 -1.280 -5.766 -9.298 603 HB THR 76 HB THR 76 -3.003 -4.451 -10.567 604 HG1 THR 76 HG1 THR 76 -4.661 -5.758 -11.031 605 HG21 THR 76 3HG2 THR 76 -1.979 -4.832 -12.770 606 HG22 THR 76 1HG2 THR 76 -1.287 -6.343 -12.180 607 HG23 THR 76 2HG2 THR 76 -0.771 -4.806 -11.486 608 H ARG 77 H ARG 77 -3.051 -7.958 -7.943 609 HA ARG 77 HA ARG 77 -5.057 -6.147 -6.800 610 HB2 ARG 77 1HB ARG 77 -5.940 -8.249 -7.698 611 HB3 ARG 77 2HB ARG 77 -4.890 -9.159 -6.618 612 HG2 ARG 77 1HG ARG 77 -6.065 -8.385 -4.696 613 HG3 ARG 77 2HG ARG 77 -6.981 -7.221 -5.653 614 HD2 ARG 77 1HD ARG 77 -8.357 -9.139 -5.108 615 HD3 ARG 77 2HD ARG 77 -8.068 -9.064 -6.842 616 HE ARG 77 HE ARG 77 -6.174 -10.755 -6.184 617 HH11 ARG 77 1HH1 ARG 77 -9.436 -10.595 -4.909 618 HH12 ARG 77 2HH1 ARG 77 -9.554 -12.305 -4.645 619 HH21 ARG 77 1HH2 ARG 77 -6.331 -12.999 -5.845 620 HH22 ARG 77 2HH2 ARG 77 -7.790 -13.674 -5.179 621 H PHE 78 H PHE 78 -4.855 -5.370 -4.863 622 HA PHE 78 HA PHE 78 -2.623 -5.843 -3.184 623 HB2 PHE 78 1HB PHE 78 -3.923 -3.707 -3.349 624 HB3 PHE 78 2HB PHE 78 -5.260 -4.499 -2.532 625 HD1 PHE 78 HD2 PHE 78 -5.102 -5.052 -0.145 626 HD2 PHE 78 HD1 PHE 78 -2.001 -2.943 -2.158 627 HE1 PHE 78 HE2 PHE 78 -4.200 -4.313 2.023 628 HE2 PHE 78 HE1 PHE 78 -1.100 -2.198 0.005 629 HZ PHE 78 HZ PHE 78 -2.199 -2.874 2.100 630 H VAL 79 H VAL 79 -2.336 -7.578 -1.909 631 HA VAL 79 HA VAL 79 -4.686 -9.073 -1.011 632 HB VAL 79 HB VAL 79 -1.757 -9.820 -0.845 633 HG11 VAL 79 1HG1 VAL 79 -3.056 -10.860 0.938 634 HG12 VAL 79 2HG1 VAL 79 -2.569 -12.060 -0.261 635 HG13 VAL 79 3HG1 VAL 79 -4.224 -11.451 -0.244 636 HG21 VAL 79 3HG2 VAL 79 -2.569 -9.760 -3.140 637 HG22 VAL 79 1HG2 VAL 79 -3.930 -10.791 -2.697 638 HG23 VAL 79 2HG2 VAL 79 -2.285 -11.421 -2.621 639 H GLY 80 H GLY 80 -1.712 -7.612 0.292 640 HA2 GLY 80 1HA GLY 80 -2.979 -6.464 2.503 641 HA3 GLY 80 2HA GLY 80 -2.351 -8.026 3.007 642 H PHE 81 H PHE 81 -1.594 -5.265 3.778 643 HA PHE 81 HA PHE 81 1.178 -5.165 2.854 644 HB2 PHE 81 1HB PHE 81 -0.155 -3.059 2.936 645 HB3 PHE 81 2HB PHE 81 -0.313 -3.257 4.677 646 HD1 PHE 81 HD1 PHE 81 2.122 -2.709 1.949 647 HD2 PHE 81 HD2 PHE 81 1.389 -2.535 6.138 648 HE1 PHE 81 HE1 PHE 81 4.232 -1.482 2.264 649 HE2 PHE 81 HE2 PHE 81 3.498 -1.310 6.459 650 HZ PHE 81 HZ PHE 81 4.922 -0.782 4.521 651 H VAL 82 H VAL 82 2.845 -5.827 4.105 652 HA VAL 82 HA VAL 82 2.196 -6.639 6.861 653 HB VAL 82 HB VAL 82 4.044 -8.121 4.977 654 HG11 VAL 82 1HG1 VAL 82 4.733 -8.282 7.306 655 HG12 VAL 82 2HG1 VAL 82 4.101 -9.825 6.733 656 HG13 VAL 82 3HG1 VAL 82 3.109 -8.796 7.765 657 HG21 VAL 82 3HG2 VAL 82 2.364 -9.888 4.976 658 HG22 VAL 82 1HG2 VAL 82 1.701 -8.388 4.329 659 HG23 VAL 82 2HG2 VAL 82 1.301 -8.893 5.971 660 H SER 83 H SER 83 3.090 -4.847 7.806 661 HA SER 83 HA SER 83 5.886 -4.231 7.310 662 HB2 SER 83 1HB SER 83 4.360 -2.347 7.684 663 HB3 SER 83 2HB SER 83 3.896 -3.016 9.250 664 HG SER 83 HG SER 83 5.767 -1.306 8.879 665 H ARG 84 H ARG 84 7.455 -4.296 9.044 666 HA ARG 84 HA ARG 84 6.832 -6.413 10.975 667 HB2 ARG 84 1HB ARG 84 8.830 -6.549 9.292 668 HB3 ARG 84 2HB ARG 84 9.626 -5.461 10.424 669 HG2 ARG 84 1HG ARG 84 9.671 -7.037 12.114 670 HG3 ARG 84 2HG ARG 84 8.360 -7.983 11.409 671 HD2 ARG 84 1HD ARG 84 10.325 -9.236 11.061 672 HD3 ARG 84 2HD ARG 84 9.933 -8.510 9.506 673 HE ARG 84 HE ARG 84 11.841 -7.059 11.153 674 HH11 ARG 84 1HH1 ARG 84 11.293 -9.295 8.513 675 HH12 ARG 84 2HH1 ARG 84 12.914 -9.170 7.899 676 HH21 ARG 84 1HH2 ARG 84 13.998 -6.911 10.363 677 HH22 ARG 84 2HH2 ARG 84 14.454 -7.812 8.950 678 H THR 85 H THR 85 6.631 -3.252 10.825 679 HA THR 85 HA THR 85 7.744 -2.571 13.408 680 HB THR 85 HB THR 85 5.823 -1.035 11.636 681 HG1 THR 85 HG1 THR 85 7.577 -0.129 10.741 682 HG21 THR 85 3HG2 THR 85 6.485 0.918 12.972 683 HG22 THR 85 1HG2 THR 85 7.458 -0.123 14.010 684 HG23 THR 85 2HG2 THR 85 5.705 -0.309 13.970 685 HA PRO 86 HA PRO 86 4.073 -4.515 15.101 686 HB2 PRO 86 1HB PRO 86 5.273 -4.479 17.696 687 HB3 PRO 86 2HB PRO 86 5.127 -5.839 16.583 688 HG2 PRO 86 1HG PRO 86 7.507 -4.632 17.300 689 HG3 PRO 86 2HG PRO 86 7.261 -5.604 15.840 690 HD2 PRO 86 1HD PRO 86 7.312 -2.633 16.156 691 HD3 PRO 86 2HD PRO 86 7.931 -3.644 14.832 692 H ASP 87 H ASP 87 2.257 -3.696 15.893 693 HA ASP 87 HA ASP 87 2.287 -1.908 18.144 694 HB2 ASP 87 1HB ASP 87 2.494 -0.334 16.209 695 HB3 ASP 87 2HB ASP 87 0.958 -0.949 15.599 696 H ASN 88 H ASN 88 0.601 -2.318 19.410 697 HA ASN 88 HA ASN 88 -1.473 -4.110 18.342 698 HB2 ASN 88 1HB ASN 88 -0.021 -4.781 20.338 699 HB3 ASN 88 2HB ASN 88 -0.875 -3.547 21.252 700 HD21 ASN 88 2HD2 ASN 88 -0.737 -6.437 21.603 701 HD22 ASN 88 1HD2 ASN 88 -2.375 -7.008 21.582 702 H GLU 89 H GLU 89 -0.907 -1.001 19.757 703 HA GLU 89 HA GLU 89 -2.233 0.729 20.394 704 HB2 GLU 89 1HB GLU 89 -3.010 0.385 18.001 705 HB3 GLU 89 2HB GLU 89 -4.360 -0.533 18.654 706 HG2 GLU 89 1HG GLU 89 -5.151 1.413 19.845 707 HG3 GLU 89 2HG GLU 89 -3.753 2.343 19.307 708 H LEU 90 H LEU 90 -2.111 -1.541 22.018 709 HA LEU 90 HA LEU 90 -4.781 -2.196 22.909 710 HB2 LEU 90 1HB LEU 90 -3.025 -3.923 22.848 711 HB3 LEU 90 2HB LEU 90 -2.086 -3.005 24.009 712 HG LEU 90 HG LEU 90 -3.886 -3.326 25.680 713 HD11 LEU 90 1HD1 LEU 90 -5.098 -5.117 23.580 714 HD12 LEU 90 2HD1 LEU 90 -5.765 -3.586 24.146 715 HD13 LEU 90 3HD1 LEU 90 -5.649 -4.960 25.248 716 HD21 LEU 90 3HD2 LEU 90 -1.977 -4.838 25.617 717 HD22 LEU 90 1HD2 LEU 90 -2.819 -5.866 24.458 718 HD23 LEU 90 2HD2 LEU 90 -3.443 -5.691 26.098 719 H GLU 91 H GLU 91 -5.517 -0.189 23.607 720 HA GLU 91 HA GLU 91 -4.205 1.174 25.775 721 HB2 GLU 91 1HB GLU 91 -5.735 2.256 24.044 722 HB3 GLU 91 2HB GLU 91 -7.078 1.491 24.880 723 HG2 GLU 91 1HG GLU 91 -6.548 2.712 26.906 724 HG3 GLU 91 2HG GLU 91 -5.147 3.439 26.120 725 H HIS 92 H HIS 92 -5.137 1.329 27.946 726 HA HIS 92 HA HIS 92 -6.016 -1.255 28.848 727 HB2 HIS 92 1HB HIS 92 -5.366 1.314 30.272 728 HB3 HIS 92 2HB HIS 92 -6.064 -0.061 31.128 729 HD1 HIS 92 HD1 HIS 92 -4.287 -1.343 32.276 730 HD2 HIS 92 HD2 HIS 92 -2.979 0.173 28.629 731 HE1 HIS 92 HE1 HIS 92 -1.916 -2.146 32.014 732 HE2 HIS 92 HE2 HIS 92 -1.184 -1.322 29.742 733 H HIS 93 H HIS 93 -7.645 1.049 27.364 734 HA HIS 93 HA HIS 93 -10.124 -0.126 28.377 735 HB2 HIS 93 1HB HIS 93 -9.691 2.787 27.692 736 HB3 HIS 93 2HB HIS 93 -11.289 2.050 27.744 737 HD1 HIS 93 HD1 HIS 93 -12.098 1.179 30.119 738 HD2 HIS 93 HD2 HIS 93 -8.646 3.504 30.124 739 HE1 HIS 93 HE1 HIS 93 -11.743 1.863 32.513 740 HE2 HIS 93 HE2 HIS 93 -9.530 3.077 32.517 741 H HIS 94 H HIS 94 -10.884 -1.346 26.800 742 HA HIS 94 HA HIS 94 -9.719 -1.389 24.238 743 HB2 HIS 94 1HB HIS 94 -10.986 -3.233 25.590 744 HB3 HIS 94 2HB HIS 94 -12.406 -2.606 24.762 745 HD1 HIS 94 HD1 HIS 94 -12.885 -3.676 22.563 746 HD2 HIS 94 HD2 HIS 94 -8.880 -4.003 23.637 747 HE1 HIS 94 HE1 HIS 94 -11.821 -5.115 20.796 748 HE2 HIS 94 HE2 HIS 94 -9.468 -5.504 21.618 749 H HIS 95 H HIS 95 -12.432 0.324 25.491 750 HA HIS 95 HA HIS 95 -12.624 1.738 22.951 751 HB2 HIS 95 1HB HIS 95 -14.772 0.142 24.135 752 HB3 HIS 95 2HB HIS 95 -15.242 1.812 23.826 753 HD1 HIS 95 HD1 HIS 95 -14.366 -1.373 22.106 754 HD2 HIS 95 HD2 HIS 95 -15.277 2.559 21.109 755 HE1 HIS 95 HE1 HIS 95 -14.764 -1.378 19.627 756 HE2 HIS 95 HE2 HIS 95 -15.473 0.975 19.070 757 H HIS 96 H HIS 96 -13.044 3.911 23.161 758 HA HIS 96 HA HIS 96 -12.245 4.970 25.696 759 HB2 HIS 96 1HB HIS 96 -12.995 6.319 23.099 760 HB3 HIS 96 2HB HIS 96 -12.436 7.188 24.526 761 HD1 HIS 96 HD1 HIS 96 -11.258 4.956 21.780 762 HD2 HIS 96 HD2 HIS 96 -9.704 6.908 25.099 763 HE1 HIS 96 HE1 HIS 96 -8.759 4.808 21.541 764 HE2 HIS 96 HE2 HIS 96 -7.875 5.691 23.732 765 H HIS 97 H HIS 97 -13.877 4.472 27.114 766 HA HIS 97 HA HIS 97 -16.084 6.396 27.044 767 HB2 HIS 97 1HB HIS 97 -16.314 3.440 27.609 768 HB3 HIS 97 2HB HIS 97 -17.492 4.594 28.224 769 HD1 HIS 97 HD1 HIS 97 -17.748 2.233 25.934 770 HD2 HIS 97 HD2 HIS 97 -17.852 6.366 25.460 771 HE1 HIS 97 HE1 HIS 97 -18.964 2.639 23.772 772 HE2 HIS 97 HE2 HIS 97 -19.188 5.142 23.608 Start of MODEL 3 1 H1 MET 1 1H MET 1 3.321 -23.703 -5.786 2 H2 MET 1 2H MET 1 1.983 -22.718 -6.124 3 H3 MET 1 3H MET 1 2.730 -22.636 -4.603 4 HA MET 1 HA MET 1 4.762 -21.818 -5.642 5 HB2 MET 1 1HB MET 1 3.018 -21.766 -8.116 6 HB3 MET 1 2HB MET 1 4.576 -20.965 -7.980 7 HG2 MET 1 1HG MET 1 5.628 -23.158 -7.574 8 HG3 MET 1 2HG MET 1 4.061 -23.923 -7.827 9 HE1 MET 1 3HE MET 1 2.736 -23.827 -10.151 10 HE2 MET 1 1HE MET 1 3.351 -23.008 -11.586 11 HE3 MET 1 2HE MET 1 2.878 -22.070 -10.169 12 H ALA 2 H ALA 2 5.077 -19.534 -5.842 13 HA ALA 2 HA ALA 2 2.673 -18.011 -5.070 14 HB1 ALA 2 3HB ALA 2 5.559 -17.420 -4.419 15 HB2 ALA 2 1HB ALA 2 4.391 -18.160 -3.324 16 HB3 ALA 2 2HB ALA 2 4.156 -16.500 -3.874 17 HA PRO 3 HA PRO 3 3.738 -15.964 -8.969 18 HB2 PRO 3 1HB PRO 3 1.020 -15.515 -9.533 19 HB3 PRO 3 2HB PRO 3 2.019 -16.829 -10.155 20 HG2 PRO 3 1HG PRO 3 -0.166 -17.068 -8.398 21 HG3 PRO 3 2HG PRO 3 1.003 -18.332 -8.809 22 HD2 PRO 3 1HD PRO 3 0.875 -16.576 -6.410 23 HD3 PRO 3 2HD PRO 3 1.480 -18.239 -6.566 24 H LEU 4 H LEU 4 2.716 -14.842 -6.088 25 HA LEU 4 HA LEU 4 1.896 -12.200 -7.042 26 HB2 LEU 4 1HB LEU 4 0.978 -11.780 -4.968 27 HB3 LEU 4 2HB LEU 4 0.680 -13.491 -5.171 28 HG LEU 4 HG LEU 4 2.872 -12.285 -3.477 29 HD11 LEU 4 1HD1 LEU 4 0.662 -11.886 -2.557 30 HD12 LEU 4 2HD1 LEU 4 1.528 -13.084 -1.597 31 HD13 LEU 4 3HD1 LEU 4 0.269 -13.597 -2.719 32 HD21 LEU 4 3HD2 LEU 4 3.209 -14.531 -2.634 33 HD22 LEU 4 1HD2 LEU 4 3.480 -14.483 -4.376 34 HD23 LEU 4 2HD2 LEU 4 1.978 -15.152 -3.736 35 H GLN 5 H GLN 5 2.901 -10.285 -6.059 36 HA GLN 5 HA GLN 5 5.782 -10.760 -5.799 37 HB2 GLN 5 1HB GLN 5 4.279 -8.237 -6.510 38 HB3 GLN 5 2HB GLN 5 6.025 -8.339 -6.318 39 HG2 GLN 5 1HG GLN 5 5.931 -10.157 -8.109 40 HG3 GLN 5 2HG GLN 5 4.297 -9.577 -8.428 41 HE21 GLN 5 2HE2 GLN 5 6.666 -9.563 -10.114 42 HE22 GLN 5 1HE2 GLN 5 6.925 -7.911 -10.564 43 H GLN 6 H GLN 6 6.702 -10.606 -3.916 44 HA GLN 6 HA GLN 6 5.487 -8.851 -1.887 45 HB2 GLN 6 1HB GLN 6 6.897 -11.492 -1.462 46 HB3 GLN 6 2HB GLN 6 6.393 -10.407 -0.173 47 HG2 GLN 6 1HG GLN 6 4.054 -10.666 -0.925 48 HG3 GLN 6 2HG GLN 6 4.602 -11.836 -2.125 49 HE21 GLN 6 2HE2 GLN 6 2.761 -12.155 0.116 50 HE22 GLN 6 1HE2 GLN 6 3.414 -13.436 1.093 51 H LYS 7 H LYS 7 6.724 -7.123 -1.770 52 HA LYS 7 HA LYS 7 9.547 -7.461 -1.169 53 HB2 LYS 7 1HB LYS 7 10.315 -5.853 -2.807 54 HB3 LYS 7 2HB LYS 7 9.468 -7.150 -3.639 55 HG2 LYS 7 1HG LYS 7 7.531 -5.773 -3.943 56 HG3 LYS 7 2HG LYS 7 8.227 -4.500 -2.939 57 HD2 LYS 7 1HD LYS 7 8.465 -3.914 -5.273 58 HD3 LYS 7 2HD LYS 7 10.055 -4.248 -4.578 59 HE2 LYS 7 1HE LYS 7 10.053 -6.461 -5.564 60 HE3 LYS 7 2HE LYS 7 8.419 -6.217 -6.177 61 HZ1 LYS 7 3HZ LYS 7 10.084 -5.874 -7.900 62 HZ2 LYS 7 1HZ LYS 7 10.811 -4.647 -6.984 63 HZ3 LYS 7 2HZ LYS 7 9.238 -4.441 -7.586 64 H GLN 8 H GLN 8 10.482 -5.350 -0.418 65 HA GLN 8 HA GLN 8 8.506 -4.089 1.279 66 HB2 GLN 8 1HB GLN 8 11.496 -3.670 1.172 67 HB3 GLN 8 2HB GLN 8 10.409 -3.132 2.447 68 HG2 GLN 8 1HG GLN 8 9.874 -5.447 2.986 69 HG3 GLN 8 2HG GLN 8 10.940 -5.997 1.696 70 HE21 GLN 8 2HE2 GLN 8 11.026 -6.579 4.520 71 HE22 GLN 8 1HE2 GLN 8 12.580 -6.060 5.086 72 H VAL 9 H VAL 9 7.791 -2.054 1.133 73 HA VAL 9 HA VAL 9 8.858 -0.350 -1.019 74 HB VAL 9 HB VAL 9 6.535 0.340 -1.572 75 HG11 VAL 9 1HG1 VAL 9 5.931 -1.669 -2.844 76 HG12 VAL 9 2HG1 VAL 9 7.086 -2.608 -1.898 77 HG13 VAL 9 3HG1 VAL 9 7.655 -1.319 -2.958 78 HG21 VAL 9 3HG2 VAL 9 4.657 -1.040 -0.831 79 HG22 VAL 9 1HG2 VAL 9 5.467 -0.268 0.533 80 HG23 VAL 9 2HG2 VAL 9 5.749 -1.976 0.192 81 H VAL 10 H VAL 10 7.998 1.908 -0.846 82 HA VAL 10 HA VAL 10 7.876 2.738 1.971 83 HB VAL 10 HB VAL 10 8.352 4.478 -0.453 84 HG11 VAL 10 1HG1 VAL 10 9.214 6.090 1.184 85 HG12 VAL 10 2HG1 VAL 10 8.798 4.978 2.489 86 HG13 VAL 10 3HG1 VAL 10 7.525 5.681 1.490 87 HG21 VAL 10 3HG2 VAL 10 10.138 2.823 -0.261 88 HG22 VAL 10 1HG2 VAL 10 10.401 3.297 1.418 89 HG23 VAL 10 2HG2 VAL 10 10.719 4.445 0.114 90 H VAL 11 H VAL 11 5.856 3.084 2.709 91 HA VAL 11 HA VAL 11 3.645 3.808 1.071 92 HB VAL 11 HB VAL 11 3.964 4.287 4.038 93 HG11 VAL 11 1HG1 VAL 11 1.510 4.017 2.307 94 HG12 VAL 11 2HG1 VAL 11 2.099 5.499 3.061 95 HG13 VAL 11 3HG1 VAL 11 1.511 4.172 4.064 96 HG21 VAL 11 3HG2 VAL 11 4.395 1.952 3.516 97 HG22 VAL 11 1HG2 VAL 11 2.895 1.867 2.592 98 HG23 VAL 11 2HG2 VAL 11 2.844 2.126 4.336 99 H SER 12 H SER 12 3.820 5.610 -0.120 100 HA SER 12 HA SER 12 5.490 7.775 0.739 101 HB2 SER 12 1HB SER 12 3.728 7.555 -1.707 102 HB3 SER 12 2HB SER 12 5.022 8.727 -1.455 103 HG SER 12 HG SER 12 5.660 6.023 -1.186 104 H ASN 13 H ASN 13 2.023 7.555 -0.096 105 HA ASN 13 HA ASN 13 1.198 9.314 1.948 106 HB2 ASN 13 1HB ASN 13 2.405 10.941 0.445 107 HB3 ASN 13 2HB ASN 13 1.243 10.556 -0.817 108 HD21 ASN 13 2HD2 ASN 13 0.579 12.708 -0.900 109 HD22 ASN 13 1HD2 ASN 13 -0.443 13.396 0.325 110 H LYS 14 H LYS 14 -1.128 9.884 1.701 111 HA LYS 14 HA LYS 14 -2.528 7.803 0.194 112 HB2 LYS 14 1HB LYS 14 -4.450 8.292 1.569 113 HB3 LYS 14 2HB LYS 14 -3.051 8.126 2.621 114 HG2 LYS 14 1HG LYS 14 -2.863 10.557 2.757 115 HG3 LYS 14 2HG LYS 14 -4.267 10.721 1.703 116 HD2 LYS 14 1HD LYS 14 -5.612 9.501 3.387 117 HD3 LYS 14 2HD LYS 14 -4.204 9.486 4.452 118 HE2 LYS 14 1HE LYS 14 -5.730 11.880 3.448 119 HE3 LYS 14 2HE LYS 14 -5.599 11.311 5.111 120 HZ1 LYS 14 3HZ LYS 14 -4.128 13.103 4.946 121 HZ2 LYS 14 1HZ LYS 14 -3.514 12.595 3.446 122 HZ3 LYS 14 2HZ LYS 14 -3.130 11.734 4.855 123 H ARG 15 H ARG 15 -3.991 8.264 -1.399 124 HA ARG 15 HA ARG 15 -4.591 11.046 -2.012 125 HB2 ARG 15 1HB ARG 15 -2.948 9.249 -3.748 126 HB3 ARG 15 2HB ARG 15 -4.064 10.372 -4.513 127 HG2 ARG 15 1HG ARG 15 -2.976 12.236 -3.373 128 HG3 ARG 15 2HG ARG 15 -1.854 11.112 -2.608 129 HD2 ARG 15 1HD ARG 15 -0.856 10.551 -4.679 130 HD3 ARG 15 2HD ARG 15 -2.151 11.324 -5.592 131 HE ARG 15 HE ARG 15 -1.162 13.395 -4.217 132 HH11 ARG 15 1HH1 ARG 15 0.499 10.878 -6.010 133 HH12 ARG 15 2HH1 ARG 15 1.787 11.921 -6.524 134 HH21 ARG 15 1HH2 ARG 15 0.526 14.759 -4.882 135 HH22 ARG 15 2HH2 ARG 15 1.791 14.141 -5.902 136 H GLU 16 H GLU 16 -6.378 11.322 -3.354 137 HA GLU 16 HA GLU 16 -8.045 8.919 -3.710 138 HB2 GLU 16 1HB GLU 16 -8.955 11.801 -3.545 139 HB3 GLU 16 2HB GLU 16 -9.967 10.363 -3.497 140 HG2 GLU 16 1HG GLU 16 -9.448 9.891 -1.326 141 HG3 GLU 16 2HG GLU 16 -7.873 10.679 -1.417 142 H LYS 17 H LYS 17 -7.733 8.260 -5.781 143 HA LYS 17 HA LYS 17 -7.139 10.264 -7.814 144 HB2 LYS 17 1HB LYS 17 -6.956 7.262 -7.776 145 HB3 LYS 17 2HB LYS 17 -6.748 8.193 -9.253 146 HG2 LYS 17 1HG LYS 17 -4.886 9.407 -8.196 147 HG3 LYS 17 2HG LYS 17 -5.070 8.394 -6.761 148 HD2 LYS 17 1HD LYS 17 -4.528 6.419 -8.020 149 HD3 LYS 17 2HD LYS 17 -4.526 7.330 -9.530 150 HE2 LYS 17 1HE LYS 17 -2.631 7.775 -7.227 151 HE3 LYS 17 2HE LYS 17 -2.255 6.862 -8.689 152 HZ1 LYS 17 3HZ LYS 17 -1.405 9.091 -8.865 153 HZ2 LYS 17 1HZ LYS 17 -2.938 9.754 -8.548 154 HZ3 LYS 17 2HZ LYS 17 -2.669 8.888 -9.980 155 HA PRO 18 HA PRO 18 -11.190 9.949 -9.569 156 HB2 PRO 18 1HB PRO 18 -10.766 11.408 -11.793 157 HB3 PRO 18 2HB PRO 18 -10.859 12.146 -10.189 158 HG2 PRO 18 1HG PRO 18 -8.477 11.559 -11.874 159 HG3 PRO 18 2HG PRO 18 -8.768 12.912 -10.770 160 HD2 PRO 18 1HD PRO 18 -7.243 10.648 -10.203 161 HD3 PRO 18 2HD PRO 18 -7.897 11.780 -9.005 162 H VAL 19 H VAL 19 -11.517 7.868 -10.163 163 HA VAL 19 HA VAL 19 -10.606 7.104 -12.859 164 HB VAL 19 HB VAL 19 -11.206 5.193 -10.586 165 HG11 VAL 19 1HG1 VAL 19 -11.679 4.270 -12.790 166 HG12 VAL 19 2HG1 VAL 19 -10.263 3.496 -12.081 167 HG13 VAL 19 3HG1 VAL 19 -10.063 4.717 -13.338 168 HG21 VAL 19 3HG2 VAL 19 -8.801 4.748 -10.530 169 HG22 VAL 19 1HG2 VAL 19 -9.151 6.432 -10.140 170 HG23 VAL 19 2HG2 VAL 19 -8.537 6.005 -11.738 171 H ASN 20 H ASN 20 -12.392 7.797 -13.951 172 HA ASN 20 HA ASN 20 -15.006 6.967 -12.894 173 HB2 ASN 20 1HB ASN 20 -14.268 9.316 -14.642 174 HB3 ASN 20 2HB ASN 20 -15.928 8.834 -14.311 175 HD21 ASN 20 2HD2 ASN 20 -16.779 9.145 -12.254 176 HD22 ASN 20 1HD2 ASN 20 -16.011 10.158 -11.077 177 H ASP 21 H ASP 21 -14.897 4.915 -13.853 178 HA ASP 21 HA ASP 21 -16.047 5.064 -16.522 179 HB2 ASP 21 1HB ASP 21 -14.791 3.273 -17.443 180 HB3 ASP 21 2HB ASP 21 -13.612 4.366 -16.736 181 H ARG 22 H ARG 22 -16.958 2.696 -17.003 182 HA ARG 22 HA ARG 22 -19.049 2.560 -15.108 183 HB2 ARG 22 1HB ARG 22 -18.408 0.736 -17.425 184 HB3 ARG 22 2HB ARG 22 -19.922 0.738 -16.527 185 HG2 ARG 22 1HG ARG 22 -20.368 3.018 -17.233 186 HG3 ARG 22 2HG ARG 22 -18.823 3.069 -18.086 187 HD2 ARG 22 1HD ARG 22 -21.173 1.283 -18.703 188 HD3 ARG 22 2HD ARG 22 -20.607 2.654 -19.658 189 HE ARG 22 HE ARG 22 -18.870 0.317 -19.211 190 HH11 ARG 22 1HH1 ARG 22 -20.517 2.511 -21.384 191 HH12 ARG 22 2HH1 ARG 22 -19.798 1.834 -22.815 192 HH21 ARG 22 1HH2 ARG 22 -17.918 -0.559 -21.055 193 HH22 ARG 22 2HH2 ARG 22 -18.315 0.073 -22.628 194 H ARG 23 H ARG 23 -16.438 0.264 -15.891 195 HA ARG 23 HA ARG 23 -16.834 -0.898 -13.236 196 HB2 ARG 23 1HB ARG 23 -16.737 -2.426 -15.825 197 HB3 ARG 23 2HB ARG 23 -16.305 -3.176 -14.294 198 HG2 ARG 23 1HG ARG 23 -18.581 -2.437 -13.457 199 HG3 ARG 23 2HG ARG 23 -18.964 -2.078 -15.142 200 HD2 ARG 23 1HD ARG 23 -19.702 -4.333 -14.396 201 HD3 ARG 23 2HD ARG 23 -18.604 -4.356 -15.776 202 HE ARG 23 HE ARG 23 -16.842 -5.068 -14.289 203 HH11 ARG 23 1HH1 ARG 23 -20.055 -5.116 -12.886 204 HH12 ARG 23 2HH1 ARG 23 -19.648 -6.310 -11.690 205 HH21 ARG 23 1HH2 ARG 23 -16.314 -6.643 -12.736 206 HH22 ARG 23 2HH2 ARG 23 -17.532 -7.204 -11.631 207 H SER 24 H SER 24 -15.019 -0.089 -12.370 208 HA SER 24 HA SER 24 -12.487 -0.364 -13.760 209 HB2 SER 24 1HB SER 24 -13.061 1.710 -12.474 210 HB3 SER 24 2HB SER 24 -13.034 0.750 -10.995 211 HG SER 24 HG SER 24 -10.889 1.329 -12.762 212 H ARG 25 H ARG 25 -10.607 -1.112 -12.274 213 HA ARG 25 HA ARG 25 -11.272 -3.802 -11.422 214 HB2 ARG 25 1HB ARG 25 -8.705 -2.348 -11.970 215 HB3 ARG 25 2HB ARG 25 -8.698 -3.888 -11.118 216 HG2 ARG 25 1HG ARG 25 -9.785 -4.964 -12.997 217 HG3 ARG 25 2HG ARG 25 -9.886 -3.421 -13.847 218 HD2 ARG 25 1HD ARG 25 -7.260 -4.544 -12.935 219 HD3 ARG 25 2HD ARG 25 -7.985 -5.032 -14.465 220 HE ARG 25 HE ARG 25 -8.014 -2.442 -14.821 221 HH11 ARG 25 1HH1 ARG 25 -5.521 -4.327 -13.275 222 HH12 ARG 25 2HH1 ARG 25 -4.219 -3.301 -13.801 223 HH21 ARG 25 1HH2 ARG 25 -6.327 -1.083 -15.542 224 HH22 ARG 25 2HH2 ARG 25 -4.687 -1.443 -15.090 225 H GLN 26 H GLN 26 -11.598 -1.051 -9.920 226 HA GLN 26 HA GLN 26 -10.716 -2.100 -7.305 227 HB2 GLN 26 1HB GLN 26 -11.426 0.744 -8.054 228 HB3 GLN 26 2HB GLN 26 -10.891 0.202 -6.475 229 HG2 GLN 26 1HG GLN 26 -8.706 -0.354 -7.389 230 HG3 GLN 26 2HG GLN 26 -9.244 0.154 -8.993 231 HE21 GLN 26 2HE2 GLN 26 -7.081 1.235 -7.321 232 HE22 GLN 26 1HE2 GLN 26 -7.450 2.914 -7.078 233 H GLN 27 H GLN 27 -13.167 -2.742 -8.908 234 HA GLN 27 HA GLN 27 -15.230 -1.389 -7.303 235 HB2 GLN 27 1HB GLN 27 -15.257 -0.811 -9.691 236 HB3 GLN 27 2HB GLN 27 -15.437 -2.510 -10.098 237 HG2 GLN 27 1HG GLN 27 -17.589 -2.528 -8.876 238 HG3 GLN 27 2HG GLN 27 -17.412 -0.793 -8.616 239 HE21 GLN 27 2HE2 GLN 27 -17.611 0.607 -10.374 240 HE22 GLN 27 1HE2 GLN 27 -18.331 0.113 -11.869 241 H GLU 28 H GLU 28 -16.320 -2.598 -5.945 242 HA GLU 28 HA GLU 28 -17.061 -5.325 -6.751 243 HB2 GLU 28 1HB GLU 28 -16.235 -4.419 -3.986 244 HB3 GLU 28 2HB GLU 28 -17.064 -5.933 -4.304 245 HG2 GLU 28 1HG GLU 28 -15.113 -6.465 -5.862 246 HG3 GLU 28 2HG GLU 28 -14.287 -5.121 -5.070 247 H VAL 29 H VAL 29 -18.958 -6.046 -5.215 248 HA VAL 29 HA VAL 29 -20.886 -3.826 -5.088 249 HB VAL 29 HB VAL 29 -21.473 -6.784 -4.837 250 HG11 VAL 29 1HG1 VAL 29 -23.204 -5.317 -3.953 251 HG12 VAL 29 2HG1 VAL 29 -23.757 -6.129 -5.419 252 HG13 VAL 29 3HG1 VAL 29 -23.256 -4.439 -5.482 253 HG21 VAL 29 3HG2 VAL 29 -22.166 -6.722 -7.194 254 HG22 VAL 29 1HG2 VAL 29 -20.444 -6.390 -7.003 255 HG23 VAL 29 2HG2 VAL 29 -21.568 -5.068 -7.316 256 H SER 30 H SER 30 -18.759 -5.509 -3.238 257 HA SER 30 HA SER 30 -20.161 -6.075 -0.865 258 HB2 SER 30 1HB SER 30 -17.251 -5.326 -0.914 259 HB3 SER 30 2HB SER 30 -18.061 -6.571 0.039 260 HG SER 30 HG SER 30 -16.770 -6.899 -2.213 261 HA PRO 31 HA PRO 31 -20.470 -1.921 0.879 262 HB2 PRO 31 1HB PRO 31 -20.831 -3.372 3.419 263 HB3 PRO 31 2HB PRO 31 -21.917 -2.233 2.615 264 HG2 PRO 31 1HG PRO 31 -22.456 -4.864 2.724 265 HG3 PRO 31 2HG PRO 31 -22.896 -3.872 1.322 266 HD2 PRO 31 1HD PRO 31 -20.600 -5.762 1.666 267 HD3 PRO 31 2HD PRO 31 -21.644 -5.503 0.251 268 H ALA 32 H ALA 32 -18.461 -1.077 0.897 269 HA ALA 32 HA ALA 32 -16.262 -2.405 2.174 270 HB1 ALA 32 3HB ALA 32 -16.380 0.344 0.944 271 HB2 ALA 32 1HB ALA 32 -15.990 -1.145 0.085 272 HB3 ALA 32 2HB ALA 32 -14.920 -0.556 1.358 273 H GLY 33 H GLY 33 -18.587 -0.104 3.165 274 HA2 GLY 33 1HA GLY 33 -18.902 0.794 5.287 275 HA3 GLY 33 2HA GLY 33 -17.344 0.132 5.767 276 H THR 34 H THR 34 -15.544 1.205 4.204 277 HA THR 34 HA THR 34 -15.437 3.961 4.936 278 HB THR 34 HB THR 34 -13.636 2.636 2.913 279 HG1 THR 34 HG1 THR 34 -14.021 1.960 5.550 280 HG21 THR 34 3HG2 THR 34 -11.951 4.120 3.917 281 HG22 THR 34 1HG2 THR 34 -13.177 4.763 5.008 282 HG23 THR 34 2HG2 THR 34 -13.317 5.028 3.269 283 H SER 35 H SER 35 -17.040 5.128 3.952 284 HA SER 35 HA SER 35 -17.995 4.729 1.361 285 HB2 SER 35 1HB SER 35 -18.106 7.315 2.914 286 HB3 SER 35 2HB SER 35 -19.239 6.755 1.683 287 HG SER 35 HG SER 35 -20.294 5.964 3.327 288 H MET 36 H MET 36 -15.652 7.077 2.591 289 HA MET 36 HA MET 36 -15.101 7.957 -0.128 290 HB2 MET 36 1HB MET 36 -14.110 8.950 2.543 291 HB3 MET 36 2HB MET 36 -13.537 9.579 1.002 292 HG2 MET 36 1HG MET 36 -15.869 10.193 0.442 293 HG3 MET 36 2HG MET 36 -16.357 9.669 2.051 294 HE1 MET 36 3HE MET 36 -13.510 13.212 1.241 295 HE2 MET 36 1HE MET 36 -14.239 12.225 -0.026 296 HE3 MET 36 2HE MET 36 -13.024 11.527 1.047 297 H ARG 37 H ARG 37 -13.671 7.019 -1.308 298 HA ARG 37 HA ARG 37 -12.033 4.910 -0.423 299 HB2 ARG 37 1HB ARG 37 -11.009 5.122 -2.743 300 HB3 ARG 37 2HB ARG 37 -12.745 4.848 -2.675 301 HG2 ARG 37 1HG ARG 37 -13.074 7.300 -2.979 302 HG3 ARG 37 2HG ARG 37 -11.334 7.451 -3.225 303 HD2 ARG 37 1HD ARG 37 -13.016 5.580 -4.864 304 HD3 ARG 37 2HD ARG 37 -12.835 7.280 -5.292 305 HE ARG 37 HE ARG 37 -10.270 6.300 -4.966 306 HH11 ARG 37 1HH1 ARG 37 -13.022 5.616 -7.026 307 HH12 ARG 37 2HH1 ARG 37 -12.054 5.102 -8.364 308 HH21 ARG 37 1HH2 ARG 37 -8.988 5.652 -6.729 309 HH22 ARG 37 2HH2 ARG 37 -9.755 5.097 -8.187 310 H TYR 38 H TYR 38 -10.190 4.961 0.638 311 HA TYR 38 HA TYR 38 -8.352 7.220 0.217 312 HB2 TYR 38 1HB TYR 38 -8.384 5.181 2.456 313 HB3 TYR 38 2HB TYR 38 -7.235 6.501 2.291 314 HD1 TYR 38 HD2 TYR 38 -8.942 8.791 1.637 315 HD2 TYR 38 HD1 TYR 38 -9.600 5.578 4.352 316 HE1 TYR 38 HE2 TYR 38 -10.414 10.233 2.988 317 HE2 TYR 38 HE1 TYR 38 -11.068 7.008 5.703 318 HH TYR 38 HH TYR 38 -12.298 9.944 4.633 319 H GLU 39 H GLU 39 -6.903 6.739 -1.304 320 HA GLU 39 HA GLU 39 -5.977 3.968 -1.549 321 HB2 GLU 39 1HB GLU 39 -5.765 6.264 -3.505 322 HB3 GLU 39 2HB GLU 39 -5.218 4.618 -3.795 323 HG2 GLU 39 1HG GLU 39 -7.456 3.791 -3.719 324 HG3 GLU 39 2HG GLU 39 -8.069 5.363 -3.208 325 H ALA 40 H ALA 40 -3.767 3.518 -1.601 326 HA ALA 40 HA ALA 40 -2.079 5.709 -0.580 327 HB1 ALA 40 3HB ALA 40 -1.840 2.779 0.084 328 HB2 ALA 40 1HB ALA 40 -2.544 4.010 1.133 329 HB3 ALA 40 2HB ALA 40 -0.834 4.083 0.712 330 H SER 41 H SER 41 -0.143 6.036 -1.493 331 HA SER 41 HA SER 41 0.446 4.506 -3.907 332 HB2 SER 41 1HB SER 41 1.727 7.045 -2.868 333 HB3 SER 41 2HB SER 41 1.941 6.340 -4.471 334 HG SER 41 HG SER 41 -0.684 6.696 -3.859 335 H PHE 42 H PHE 42 1.806 2.870 -3.788 336 HA PHE 42 HA PHE 42 3.768 2.804 -1.604 337 HB2 PHE 42 1HB PHE 42 2.752 0.575 -3.384 338 HB3 PHE 42 2HB PHE 42 3.915 0.382 -2.078 339 HD1 PHE 42 HD2 PHE 42 3.188 0.799 0.275 340 HD2 PHE 42 HD1 PHE 42 0.437 0.629 -2.966 341 HE1 PHE 42 HE2 PHE 42 1.343 0.450 1.864 342 HE2 PHE 42 HE1 PHE 42 -1.413 0.277 -1.382 343 HZ PHE 42 HZ PHE 42 -0.961 0.187 1.036 344 H LYS 43 H LYS 43 5.761 3.265 -2.044 345 HA LYS 43 HA LYS 43 6.655 3.322 -4.841 346 HB2 LYS 43 1HB LYS 43 6.661 5.426 -3.508 347 HB3 LYS 43 2HB LYS 43 7.792 4.685 -2.390 348 HG2 LYS 43 1HG LYS 43 9.480 4.573 -4.111 349 HG3 LYS 43 2HG LYS 43 8.336 5.193 -5.308 350 HD2 LYS 43 1HD LYS 43 8.112 7.261 -3.992 351 HD3 LYS 43 2HD LYS 43 9.294 6.642 -2.839 352 HE2 LYS 43 1HE LYS 43 9.831 7.112 -5.764 353 HE3 LYS 43 2HE LYS 43 10.230 8.247 -4.478 354 HZ1 LYS 43 3HZ LYS 43 11.331 5.514 -4.829 355 HZ2 LYS 43 1HZ LYS 43 11.641 6.509 -3.492 356 HZ3 LYS 43 2HZ LYS 43 12.151 6.977 -5.039 357 HA PRO 44 HA PRO 44 8.901 -0.427 -3.613 358 HB2 PRO 44 1HB PRO 44 9.906 -0.072 -6.388 359 HB3 PRO 44 2HB PRO 44 9.213 -1.502 -5.615 360 HG2 PRO 44 1HG PRO 44 7.797 -0.096 -7.379 361 HG3 PRO 44 2HG PRO 44 7.029 -0.778 -5.932 362 HD2 PRO 44 1HD PRO 44 7.870 2.041 -6.484 363 HD3 PRO 44 2HD PRO 44 6.418 1.440 -5.659 364 H LEU 45 H LEU 45 10.826 -0.550 -2.677 365 HA LEU 45 HA LEU 45 12.476 1.661 -2.351 366 HB2 LEU 45 1HB LEU 45 13.002 -1.267 -1.893 367 HB3 LEU 45 2HB LEU 45 14.101 0.002 -1.385 368 HG LEU 45 HG LEU 45 11.237 -0.111 -0.462 369 HD11 LEU 45 1HD1 LEU 45 12.079 -1.135 1.589 370 HD12 LEU 45 2HD1 LEU 45 13.681 -1.273 0.861 371 HD13 LEU 45 3HD1 LEU 45 12.323 -2.179 0.187 372 HD21 LEU 45 3HD2 LEU 45 12.079 1.314 1.335 373 HD22 LEU 45 1HD2 LEU 45 12.370 2.041 -0.244 374 HD23 LEU 45 2HD2 LEU 45 13.693 1.263 0.625 375 H ASN 46 H ASN 46 13.167 -1.282 -4.257 376 HA ASN 46 HA ASN 46 15.463 0.128 -5.405 377 HB2 ASN 46 1HB ASN 46 15.912 -2.046 -4.325 378 HB3 ASN 46 2HB ASN 46 14.813 -2.827 -5.457 379 HD21 ASN 46 2HD2 ASN 46 17.876 -1.212 -5.080 380 HD22 ASN 46 1HD2 ASN 46 18.574 -1.767 -6.569 381 H GLY 47 H GLY 47 14.429 1.372 -6.950 382 HA2 GLY 47 1HA GLY 47 13.829 1.819 -9.113 383 HA3 GLY 47 2HA GLY 47 14.289 0.169 -9.494 384 H GLY 48 H GLY 48 11.641 2.194 -8.326 385 HA2 GLY 48 1HA GLY 48 9.782 0.587 -9.826 386 HA3 GLY 48 2HA GLY 48 9.583 0.453 -8.086 387 H LEU 49 H LEU 49 7.908 1.615 -10.289 388 HA LEU 49 HA LEU 49 7.728 4.413 -9.482 389 HB2 LEU 49 1HB LEU 49 7.438 3.571 -11.876 390 HB3 LEU 49 2HB LEU 49 5.896 2.918 -11.355 391 HG LEU 49 HG LEU 49 5.181 5.219 -10.730 392 HD11 LEU 49 1HD1 LEU 49 7.756 6.016 -12.080 393 HD12 LEU 49 2HD1 LEU 49 7.379 6.197 -10.367 394 HD13 LEU 49 3HD1 LEU 49 6.474 7.116 -11.570 395 HD21 LEU 49 3HD2 LEU 49 4.543 4.271 -12.873 396 HD22 LEU 49 1HD2 LEU 49 6.054 4.833 -13.590 397 HD23 LEU 49 2HD2 LEU 49 4.856 6.000 -13.031 398 H GLU 50 H GLU 50 5.660 5.288 -8.715 399 HA GLU 50 HA GLU 50 4.726 3.901 -6.463 400 HB2 GLU 50 1HB GLU 50 3.529 6.255 -7.926 401 HB3 GLU 50 2HB GLU 50 2.983 5.684 -6.357 402 HG2 GLU 50 1HG GLU 50 5.109 6.214 -5.371 403 HG3 GLU 50 2HG GLU 50 5.767 6.655 -6.947 404 H LYS 51 H LYS 51 3.419 2.204 -6.375 405 HA LYS 51 HA LYS 51 1.253 1.985 -8.345 406 HB2 LYS 51 1HB LYS 51 2.506 -0.006 -6.466 407 HB3 LYS 51 2HB LYS 51 0.917 -0.297 -7.161 408 HG2 LYS 51 1HG LYS 51 1.938 -0.028 -9.423 409 HG3 LYS 51 2HG LYS 51 3.515 0.050 -8.639 410 HD2 LYS 51 1HD LYS 51 3.283 -2.175 -7.792 411 HD3 LYS 51 2HD LYS 51 1.597 -2.252 -8.305 412 HE2 LYS 51 1HE LYS 51 2.921 -3.506 -9.863 413 HE3 LYS 51 2HE LYS 51 2.363 -2.037 -10.662 414 HZ1 LYS 51 3HZ LYS 51 4.574 -1.054 -10.135 415 HZ2 LYS 51 1HZ LYS 51 4.639 -2.364 -11.211 416 HZ3 LYS 51 2HZ LYS 51 5.074 -2.581 -9.591 417 H THR 52 H THR 52 -0.819 2.332 -7.779 418 HA THR 52 HA THR 52 -1.274 3.169 -4.996 419 HB THR 52 HB THR 52 -2.920 3.924 -7.414 420 HG1 THR 52 HG1 THR 52 -0.449 4.672 -6.861 421 HG21 THR 52 3HG2 THR 52 -2.681 5.146 -4.660 422 HG22 THR 52 1HG2 THR 52 -4.044 4.198 -5.256 423 HG23 THR 52 2HG2 THR 52 -3.677 5.766 -5.978 424 H PHE 53 H PHE 53 -2.664 2.062 -3.776 425 HA PHE 53 HA PHE 53 -4.583 0.269 -5.116 426 HB2 PHE 53 1HB PHE 53 -3.001 -0.222 -2.584 427 HB3 PHE 53 2HB PHE 53 -4.364 -1.214 -3.088 428 HD1 PHE 53 HD2 PHE 53 -4.187 -2.676 -5.030 429 HD2 PHE 53 HD1 PHE 53 -0.874 -0.368 -3.687 430 HE1 PHE 53 HE2 PHE 53 -2.674 -4.064 -6.384 431 HE2 PHE 53 HE1 PHE 53 0.644 -1.752 -5.038 432 HZ PHE 53 HZ PHE 53 -0.256 -3.603 -6.389 433 H ARG 54 H ARG 54 -6.652 0.362 -4.450 434 HA ARG 54 HA ARG 54 -7.487 2.507 -2.754 435 HB2 ARG 54 1HB ARG 54 -8.806 1.766 -4.711 436 HB3 ARG 54 2HB ARG 54 -9.086 0.219 -3.929 437 HG2 ARG 54 1HG ARG 54 -10.309 1.360 -2.134 438 HG3 ARG 54 2HG ARG 54 -10.052 2.902 -2.954 439 HD2 ARG 54 1HD ARG 54 -11.259 2.042 -4.912 440 HD3 ARG 54 2HD ARG 54 -11.539 0.524 -4.063 441 HE ARG 54 HE ARG 54 -12.552 2.535 -2.446 442 HH11 ARG 54 1HH1 ARG 54 -13.171 1.216 -5.627 443 HH12 ARG 54 2HH1 ARG 54 -14.853 1.660 -5.628 444 HH21 ARG 54 1HH2 ARG 54 -14.786 3.112 -2.432 445 HH22 ARG 54 2HH2 ARG 54 -15.764 2.717 -3.818 446 H LEU 55 H LEU 55 -7.586 2.450 -0.614 447 HA LEU 55 HA LEU 55 -7.589 -0.182 0.705 448 HB2 LEU 55 1HB LEU 55 -6.482 2.470 1.628 449 HB3 LEU 55 2HB LEU 55 -6.487 1.003 2.593 450 HG LEU 55 HG LEU 55 -4.950 1.478 0.037 451 HD11 LEU 55 1HD1 LEU 55 -2.999 1.211 1.487 452 HD12 LEU 55 2HD1 LEU 55 -4.062 1.056 2.885 453 HD13 LEU 55 3HD1 LEU 55 -4.003 2.571 1.987 454 HD21 LEU 55 3HD2 LEU 55 -5.093 -0.995 1.757 455 HD22 LEU 55 1HD2 LEU 55 -3.993 -0.743 0.402 456 HD23 LEU 55 2HD2 LEU 55 -5.732 -0.827 0.122 457 H GLN 56 H GLN 56 -8.848 -0.491 2.561 458 HA GLN 56 HA GLN 56 -11.044 1.384 2.954 459 HB2 GLN 56 1HB GLN 56 -10.540 -1.266 4.329 460 HB3 GLN 56 2HB GLN 56 -12.014 -0.314 4.405 461 HG2 GLN 56 1HG GLN 56 -12.256 -0.647 1.941 462 HG3 GLN 56 2HG GLN 56 -10.901 -1.772 2.024 463 HE21 GLN 56 2HE2 GLN 56 -11.792 -2.660 4.730 464 HE22 GLN 56 1HE2 GLN 56 -13.120 -3.723 4.434 465 H ALA 57 H ALA 57 -11.641 1.753 5.342 466 HA ALA 57 HA ALA 57 -9.675 3.344 6.487 467 HB1 ALA 57 3HB ALA 57 -12.073 3.585 6.926 468 HB2 ALA 57 1HB ALA 57 -11.132 3.522 8.415 469 HB3 ALA 57 2HB ALA 57 -12.039 2.106 7.885 470 H GLN 58 H GLN 58 -10.582 0.007 7.315 471 HA GLN 58 HA GLN 58 -9.014 -0.216 9.635 472 HB2 GLN 58 1HB GLN 58 -9.669 -2.451 7.707 473 HB3 GLN 58 2HB GLN 58 -9.224 -2.619 9.398 474 HG2 GLN 58 1HG GLN 58 -11.458 -2.843 9.612 475 HG3 GLN 58 2HG GLN 58 -11.364 -1.086 9.714 476 HE21 GLN 58 2HE2 GLN 58 -13.559 -2.789 8.864 477 HE22 GLN 58 1HE2 GLN 58 -13.956 -2.303 7.245 478 H GLN 59 H GLN 59 -8.238 -0.725 6.244 479 HA GLN 59 HA GLN 59 -5.682 -1.896 6.776 480 HB2 GLN 59 1HB GLN 59 -6.804 -0.752 4.211 481 HB3 GLN 59 2HB GLN 59 -5.338 -1.713 4.341 482 HG2 GLN 59 1HG GLN 59 -6.676 -3.597 5.189 483 HG3 GLN 59 2HG GLN 59 -8.133 -2.630 4.976 484 HE21 GLN 59 2HE2 GLN 59 -7.050 -1.420 2.505 485 HE22 GLN 59 1HE2 GLN 59 -7.234 -2.635 1.289 486 H TYR 60 H TYR 60 -6.900 1.323 6.233 487 HA TYR 60 HA TYR 60 -4.284 2.476 5.878 488 HB2 TYR 60 1HB TYR 60 -6.156 3.570 4.802 489 HB3 TYR 60 2HB TYR 60 -6.990 3.749 6.343 490 HD1 TYR 60 HD2 TYR 60 -3.832 4.745 4.614 491 HD2 TYR 60 HD1 TYR 60 -6.766 5.735 7.534 492 HE1 TYR 60 HE2 TYR 60 -2.765 6.937 4.937 493 HE2 TYR 60 HE1 TYR 60 -5.705 7.929 7.864 494 HH TYR 60 HH TYR 60 -3.583 9.020 7.544 495 H HIS 61 H HIS 61 -6.541 1.979 8.513 496 HA HIS 61 HA HIS 61 -5.305 3.686 10.391 497 HB2 HIS 61 1HB HIS 61 -7.136 1.324 10.631 498 HB3 HIS 61 2HB HIS 61 -6.404 2.020 12.072 499 HD1 HIS 61 HD1 HIS 61 -8.623 2.882 13.006 500 HD2 HIS 61 HD2 HIS 61 -7.707 4.371 9.230 501 HE1 HIS 61 HE1 HIS 61 -10.274 4.737 12.585 502 HE2 HIS 61 HE2 HIS 61 -9.575 5.744 10.380 503 H ALA 62 H ALA 62 -4.668 0.389 9.411 504 HA ALA 62 HA ALA 62 -2.651 0.024 11.465 505 HB1 ALA 62 3HB ALA 62 -4.032 -1.875 10.782 506 HB2 ALA 62 1HB ALA 62 -2.326 -2.179 10.453 507 HB3 ALA 62 2HB ALA 62 -3.414 -1.739 9.136 508 H LEU 63 H LEU 63 -2.763 1.697 8.652 509 HA LEU 63 HA LEU 63 -0.042 0.994 7.808 510 HB2 LEU 63 1HB LEU 63 -1.893 0.956 6.124 511 HB3 LEU 63 2HB LEU 63 -2.095 2.680 6.371 512 HG LEU 63 HG LEU 63 0.236 3.026 5.579 513 HD11 LEU 63 1HD1 LEU 63 1.380 1.203 4.440 514 HD12 LEU 63 2HD1 LEU 63 0.092 0.093 4.906 515 HD13 LEU 63 3HD1 LEU 63 1.118 0.821 6.142 516 HD21 LEU 63 3HD2 LEU 63 -0.248 2.595 3.213 517 HD22 LEU 63 1HD2 LEU 63 -1.635 3.291 4.049 518 HD23 LEU 63 2HD2 LEU 63 -1.600 1.566 3.683 519 H THR 64 H THR 64 1.570 2.504 7.755 520 HA THR 64 HA THR 64 0.925 5.183 8.790 521 HB THR 64 HB THR 64 3.415 3.552 9.353 522 HG1 THR 64 HG1 THR 64 1.009 3.656 10.541 523 HG21 THR 64 3HG2 THR 64 2.604 6.280 10.373 524 HG22 THR 64 1HG2 THR 64 3.894 5.959 9.215 525 HG23 THR 64 2HG2 THR 64 4.031 5.371 10.873 526 H VAL 65 H VAL 65 1.701 6.883 7.618 527 HA VAL 65 HA VAL 65 2.927 6.353 5.080 528 HB VAL 65 HB VAL 65 2.204 8.910 6.505 529 HG11 VAL 65 1HG1 VAL 65 2.837 10.128 4.473 530 HG12 VAL 65 2HG1 VAL 65 3.499 8.642 3.790 531 HG13 VAL 65 3HG1 VAL 65 4.235 9.357 5.224 532 HG21 VAL 65 3HG2 VAL 65 0.367 7.633 5.565 533 HG22 VAL 65 1HG2 VAL 65 1.188 7.560 4.005 534 HG23 VAL 65 2HG2 VAL 65 0.618 9.109 4.633 535 H GLY 66 H GLY 66 5.000 6.208 4.626 536 HA2 GLY 66 1HA GLY 66 7.302 6.779 4.850 537 HA3 GLY 66 2HA GLY 66 6.981 7.310 6.497 538 H ASP 67 H ASP 67 5.270 4.602 6.310 539 HA ASP 67 HA ASP 67 7.214 3.070 7.756 540 HB2 ASP 67 1HB ASP 67 4.780 3.053 8.299 541 HB3 ASP 67 2HB ASP 67 4.479 2.217 6.780 542 H GLN 68 H GLN 68 8.863 2.642 6.347 543 HA GLN 68 HA GLN 68 8.511 1.267 3.884 544 HB2 GLN 68 1HB GLN 68 10.915 1.393 5.719 545 HB3 GLN 68 2HB GLN 68 10.932 0.772 4.074 546 HG2 GLN 68 1HG GLN 68 10.352 2.955 3.208 547 HG3 GLN 68 2HG GLN 68 10.225 3.593 4.847 548 HE21 GLN 68 2HE2 GLN 68 11.949 4.430 2.645 549 HE22 GLN 68 1HE2 GLN 68 13.566 4.317 3.243 550 H GLY 69 H GLY 69 7.751 -0.725 3.663 551 HA2 GLY 69 1HA GLY 69 8.639 -2.871 5.376 552 HA3 GLY 69 2HA GLY 69 6.959 -2.418 5.627 553 H THR 70 H THR 70 7.135 -4.878 4.913 554 HA THR 70 HA THR 70 7.551 -5.304 2.104 555 HB THR 70 HB THR 70 6.413 -7.248 4.115 556 HG1 THR 70 HG1 THR 70 8.418 -7.608 4.823 557 HG21 THR 70 3HG2 THR 70 7.408 -8.933 2.631 558 HG22 THR 70 1HG2 THR 70 7.955 -7.654 1.547 559 HG23 THR 70 2HG2 THR 70 6.230 -7.940 1.774 560 H LEU 71 H LEU 71 6.072 -5.521 0.545 561 HA LEU 71 HA LEU 71 3.226 -5.319 1.281 562 HB2 LEU 71 1HB LEU 71 4.039 -3.311 0.148 563 HB3 LEU 71 2HB LEU 71 4.666 -4.285 -1.168 564 HG LEU 71 HG LEU 71 2.319 -4.986 -1.682 565 HD11 LEU 71 1HD1 LEU 71 0.488 -3.670 -0.758 566 HD12 LEU 71 2HD1 LEU 71 1.621 -2.826 0.298 567 HD13 LEU 71 3HD1 LEU 71 1.340 -4.554 0.508 568 HD21 LEU 71 3HD2 LEU 71 1.704 -2.875 -2.754 569 HD22 LEU 71 1HD2 LEU 71 3.421 -3.226 -2.950 570 HD23 LEU 71 2HD2 LEU 71 2.895 -2.028 -1.768 571 H SER 72 H SER 72 1.879 -6.821 0.485 572 HA SER 72 HA SER 72 2.965 -8.770 -1.437 573 HB2 SER 72 1HB SER 72 2.847 -9.778 0.783 574 HB3 SER 72 2HB SER 72 1.175 -9.254 0.964 575 HG SER 72 HG SER 72 0.566 -10.948 -0.102 576 H TYR 73 H TYR 73 1.831 -8.846 -3.291 577 HA TYR 73 HA TYR 73 -1.050 -8.559 -3.196 578 HB2 TYR 73 1HB TYR 73 -1.205 -6.794 -4.839 579 HB3 TYR 73 2HB TYR 73 -0.258 -6.229 -3.473 580 HD1 TYR 73 HD1 TYR 73 2.308 -6.251 -3.733 581 HD2 TYR 73 HD2 TYR 73 -0.386 -6.619 -7.003 582 HE1 TYR 73 HE1 TYR 73 4.084 -5.526 -5.273 583 HE2 TYR 73 HE2 TYR 73 1.383 -5.903 -8.551 584 HH TYR 73 HH TYR 73 4.580 -5.859 -7.809 585 H LYS 74 H LYS 74 -2.108 -9.469 -4.934 586 HA LYS 74 HA LYS 74 -0.386 -11.096 -6.686 587 HB2 LYS 74 1HB LYS 74 -1.467 -12.329 -4.754 588 HB3 LYS 74 2HB LYS 74 -3.020 -11.968 -5.492 589 HG2 LYS 74 1HG LYS 74 -2.418 -13.245 -7.457 590 HG3 LYS 74 2HG LYS 74 -0.811 -13.548 -6.790 591 HD2 LYS 74 1HD LYS 74 -1.870 -14.703 -4.877 592 HD3 LYS 74 2HD LYS 74 -3.443 -14.477 -5.645 593 HE2 LYS 74 1HE LYS 74 -1.111 -16.028 -6.763 594 HE3 LYS 74 2HE LYS 74 -2.580 -16.712 -6.069 595 HZ1 LYS 74 3HZ LYS 74 -2.357 -15.106 -8.559 596 HZ2 LYS 74 1HZ LYS 74 -3.834 -15.559 -7.852 597 HZ3 LYS 74 2HZ LYS 74 -2.772 -16.748 -8.430 598 H GLY 75 H GLY 75 -0.833 -10.912 -8.803 599 HA2 GLY 75 1HA GLY 75 -1.865 -10.204 -10.727 600 HA3 GLY 75 2HA GLY 75 -3.397 -10.400 -9.882 601 H THR 76 H THR 76 -4.537 -8.619 -9.642 602 HA THR 76 HA THR 76 -3.101 -6.066 -9.379 603 HB THR 76 HB THR 76 -5.224 -5.032 -10.305 604 HG1 THR 76 HG1 THR 76 -6.817 -6.379 -10.595 605 HG21 THR 76 3HG2 THR 76 -3.640 -6.877 -12.095 606 HG22 THR 76 1HG2 THR 76 -3.216 -5.221 -11.661 607 HG23 THR 76 2HG2 THR 76 -4.645 -5.537 -12.646 608 H ARG 77 H ARG 77 -4.310 -8.193 -7.456 609 HA ARG 77 HA ARG 77 -6.148 -6.401 -6.018 610 HB2 ARG 77 1HB ARG 77 -7.005 -8.661 -6.745 611 HB3 ARG 77 2HB ARG 77 -5.850 -9.380 -5.631 612 HG2 ARG 77 1HG ARG 77 -6.926 -8.206 -3.768 613 HG3 ARG 77 2HG ARG 77 -8.097 -7.515 -4.893 614 HD2 ARG 77 1HD ARG 77 -8.789 -9.820 -5.501 615 HD3 ARG 77 2HD ARG 77 -7.699 -10.435 -4.259 616 HE ARG 77 HE ARG 77 -10.040 -8.715 -3.708 617 HH11 ARG 77 1HH1 ARG 77 -7.804 -11.257 -2.797 618 HH12 ARG 77 2HH1 ARG 77 -8.664 -11.659 -1.339 619 HH21 ARG 77 1HH2 ARG 77 -11.190 -9.273 -1.810 620 HH22 ARG 77 2HH2 ARG 77 -10.601 -10.558 -0.795 621 H PHE 78 H PHE 78 -5.757 -5.824 -3.965 622 HA PHE 78 HA PHE 78 -3.110 -6.070 -2.929 623 HB2 PHE 78 1HB PHE 78 -4.424 -4.031 -2.611 624 HB3 PHE 78 2HB PHE 78 -5.643 -4.931 -1.720 625 HD1 PHE 78 HD1 PHE 78 -2.151 -3.735 -1.625 626 HD2 PHE 78 HD2 PHE 78 -5.412 -5.336 0.591 627 HE1 PHE 78 HE1 PHE 78 -0.967 -3.234 0.471 628 HE2 PHE 78 HE2 PHE 78 -4.232 -4.841 2.693 629 HZ PHE 78 HZ PHE 78 -2.008 -3.787 2.634 630 H VAL 79 H VAL 79 -2.340 -7.692 -1.737 631 HA VAL 79 HA VAL 79 -4.200 -9.616 -0.585 632 HB VAL 79 HB VAL 79 -1.190 -9.704 -0.863 633 HG11 VAL 79 1HG1 VAL 79 -3.074 -11.824 0.166 634 HG12 VAL 79 2HG1 VAL 79 -1.890 -10.933 1.123 635 HG13 VAL 79 3HG1 VAL 79 -1.350 -12.037 -0.142 636 HG21 VAL 79 3HG2 VAL 79 -2.355 -9.929 -2.977 637 HG22 VAL 79 1HG2 VAL 79 -3.386 -11.190 -2.299 638 HG23 VAL 79 2HG2 VAL 79 -1.658 -11.479 -2.500 639 H GLY 80 H GLY 80 -1.279 -7.856 0.517 640 HA2 GLY 80 1HA GLY 80 -2.475 -6.971 2.914 641 HA3 GLY 80 2HA GLY 80 -1.590 -8.455 3.232 642 H PHE 81 H PHE 81 -0.811 -6.289 4.562 643 HA PHE 81 HA PHE 81 1.747 -5.604 3.286 644 HB2 PHE 81 1HB PHE 81 0.162 -3.665 3.190 645 HB3 PHE 81 2HB PHE 81 0.075 -3.699 4.947 646 HD1 PHE 81 HD1 PHE 81 2.242 -3.013 2.062 647 HD2 PHE 81 HD2 PHE 81 1.829 -2.796 6.292 648 HE1 PHE 81 HE1 PHE 81 4.202 -1.531 2.174 649 HE2 PHE 81 HE2 PHE 81 3.791 -1.316 6.411 650 HZ PHE 81 HZ PHE 81 4.980 -0.681 4.350 651 H VAL 82 H VAL 82 3.485 -5.880 4.578 652 HA VAL 82 HA VAL 82 3.006 -6.379 7.442 653 HB VAL 82 HB VAL 82 4.905 -7.972 5.708 654 HG11 VAL 82 1HG1 VAL 82 5.682 -7.708 8.004 655 HG12 VAL 82 2HG1 VAL 82 5.198 -9.374 7.686 656 HG13 VAL 82 3HG1 VAL 82 4.135 -8.308 8.605 657 HG21 VAL 82 3HG2 VAL 82 3.396 -9.865 6.073 658 HG22 VAL 82 1HG2 VAL 82 2.591 -8.556 5.208 659 HG23 VAL 82 2HG2 VAL 82 2.272 -8.806 6.925 660 H SER 83 H SER 83 3.874 -4.564 8.276 661 HA SER 83 HA SER 83 6.094 -3.158 7.328 662 HB2 SER 83 1HB SER 83 5.058 -3.389 10.164 663 HB3 SER 83 2HB SER 83 6.161 -2.144 9.579 664 HG SER 83 HG SER 83 4.574 -1.295 8.311 665 H ARG 84 H ARG 84 8.222 -3.554 7.379 666 HA ARG 84 HA ARG 84 9.151 -6.052 8.370 667 HB2 ARG 84 1HB ARG 84 11.351 -5.382 7.568 668 HB3 ARG 84 2HB ARG 84 10.125 -5.046 6.357 669 HG2 ARG 84 1HG ARG 84 10.166 -2.687 6.943 670 HG3 ARG 84 2HG ARG 84 11.355 -3.010 8.205 671 HD2 ARG 84 1HD ARG 84 12.886 -3.889 6.452 672 HD3 ARG 84 2HD ARG 84 11.714 -3.386 5.236 673 HE ARG 84 HE ARG 84 12.415 -1.220 6.942 674 HH11 ARG 84 1HH1 ARG 84 13.556 -3.111 4.204 675 HH12 ARG 84 2HH1 ARG 84 14.616 -1.862 3.630 676 HH21 ARG 84 1HH2 ARG 84 13.828 0.420 6.168 677 HH22 ARG 84 2HH2 ARG 84 14.764 0.133 4.728 678 H THR 85 H THR 85 9.692 -6.528 10.355 679 HA THR 85 HA THR 85 10.293 -4.360 12.230 680 HB THR 85 HB THR 85 9.668 -7.245 12.880 681 HG1 THR 85 HG1 THR 85 8.048 -5.491 11.799 682 HG21 THR 85 3HG2 THR 85 9.090 -6.334 15.086 683 HG22 THR 85 1HG2 THR 85 9.541 -4.720 14.540 684 HG23 THR 85 2HG2 THR 85 10.768 -5.979 14.672 685 HA PRO 86 HA PRO 86 14.475 -6.054 11.891 686 HB2 PRO 86 1HB PRO 86 15.786 -3.754 12.247 687 HB3 PRO 86 2HB PRO 86 14.963 -4.111 10.723 688 HG2 PRO 86 1HG PRO 86 14.133 -2.312 12.947 689 HG3 PRO 86 2HG PRO 86 13.894 -2.128 11.201 690 HD2 PRO 86 1HD PRO 86 12.001 -3.076 13.046 691 HD3 PRO 86 2HD PRO 86 11.902 -3.210 11.280 692 H ASP 87 H ASP 87 16.368 -5.982 13.378 693 HA ASP 87 HA ASP 87 15.463 -5.811 16.160 694 HB2 ASP 87 1HB ASP 87 17.756 -7.299 14.878 695 HB3 ASP 87 2HB ASP 87 17.566 -7.150 16.622 696 H ASN 88 H ASN 88 16.750 -4.823 17.738 697 HA ASN 88 HA ASN 88 17.750 -2.305 16.935 698 HB2 ASN 88 1HB ASN 88 16.626 -2.763 19.104 699 HB3 ASN 88 2HB ASN 88 18.025 -3.697 19.610 700 HD21 ASN 88 2HD2 ASN 88 16.727 -1.249 20.669 701 HD22 ASN 88 1HD2 ASN 88 18.003 -0.078 20.792 702 H GLU 89 H GLU 89 19.345 -5.206 18.170 703 HA GLU 89 HA GLU 89 21.961 -3.985 17.672 704 HB2 GLU 89 1HB GLU 89 22.852 -5.809 19.040 705 HB3 GLU 89 2HB GLU 89 21.572 -4.953 19.890 706 HG2 GLU 89 1HG GLU 89 19.997 -6.745 19.163 707 HG3 GLU 89 2HG GLU 89 21.386 -7.625 18.526 708 H LEU 90 H LEU 90 19.993 -5.293 15.687 709 HA LEU 90 HA LEU 90 21.082 -7.721 14.779 710 HB2 LEU 90 1HB LEU 90 18.845 -6.878 14.164 711 HB3 LEU 90 2HB LEU 90 19.595 -5.623 13.198 712 HG LEU 90 HG LEU 90 20.576 -7.373 11.735 713 HD11 LEU 90 1HD1 LEU 90 19.746 -9.667 11.907 714 HD12 LEU 90 2HD1 LEU 90 18.892 -9.246 13.393 715 HD13 LEU 90 3HD1 LEU 90 20.654 -9.198 13.344 716 HD21 LEU 90 3HD2 LEU 90 17.580 -7.493 12.058 717 HD22 LEU 90 1HD2 LEU 90 18.483 -7.983 10.624 718 HD23 LEU 90 2HD2 LEU 90 18.479 -6.293 11.129 719 H GLU 91 H GLU 91 21.830 -4.379 14.002 720 HA GLU 91 HA GLU 91 23.955 -5.311 12.208 721 HB2 GLU 91 1HB GLU 91 22.323 -3.712 11.246 722 HB3 GLU 91 2HB GLU 91 22.785 -2.534 12.467 723 HG2 GLU 91 1HG GLU 91 25.022 -2.428 11.581 724 HG3 GLU 91 2HG GLU 91 24.656 -3.706 10.422 725 H HIS 92 H HIS 92 25.778 -5.600 13.272 726 HA HIS 92 HA HIS 92 26.523 -3.748 15.423 727 HB2 HIS 92 1HB HIS 92 26.641 -6.249 15.778 728 HB3 HIS 92 2HB HIS 92 27.921 -6.298 14.571 729 HD1 HIS 92 HD1 HIS 92 27.259 -5.566 18.125 730 HD2 HIS 92 HD2 HIS 92 30.364 -5.037 15.405 731 HE1 HIS 92 HE1 HIS 92 29.292 -5.015 19.507 732 HE2 HIS 92 HE2 HIS 92 31.149 -4.640 17.839 733 H HIS 93 H HIS 93 28.315 -2.421 15.266 734 HA HIS 93 HA HIS 93 29.415 -2.236 12.539 735 HB2 HIS 93 1HB HIS 93 28.726 -0.147 14.569 736 HB3 HIS 93 2HB HIS 93 29.928 0.192 13.327 737 HD1 HIS 93 HD1 HIS 93 29.111 0.658 11.001 738 HD2 HIS 93 HD2 HIS 93 26.080 -0.600 13.552 739 HE1 HIS 93 HE1 HIS 93 26.970 1.003 9.727 740 HE2 HIS 93 HE2 HIS 93 25.180 0.011 11.196 741 H HIS 94 H HIS 94 31.461 -2.588 12.214 742 HA HIS 94 HA HIS 94 33.343 -2.529 14.466 743 HB2 HIS 94 1HB HIS 94 33.512 -3.770 11.714 744 HB3 HIS 94 2HB HIS 94 34.898 -3.647 12.789 745 HD1 HIS 94 HD1 HIS 94 31.687 -5.490 12.295 746 HD2 HIS 94 HD2 HIS 94 34.903 -5.443 14.934 747 HE1 HIS 94 HE1 HIS 94 31.496 -7.609 13.641 748 HE2 HIS 94 HE2 HIS 94 33.504 -7.606 15.170 749 H HIS 95 H HIS 95 34.754 -0.914 14.640 750 HA HIS 95 HA HIS 95 35.363 0.664 12.223 751 HB2 HIS 95 1HB HIS 95 35.236 1.657 15.084 752 HB3 HIS 95 2HB HIS 95 35.726 2.618 13.695 753 HD1 HIS 95 HD1 HIS 95 33.060 2.598 15.786 754 HD2 HIS 95 HD2 HIS 95 33.293 2.121 11.663 755 HE1 HIS 95 HE1 HIS 95 30.788 3.204 14.905 756 HE2 HIS 95 HE2 HIS 95 31.005 3.084 12.397 757 H HIS 96 H HIS 96 37.263 -0.247 11.634 758 HA HIS 96 HA HIS 96 39.168 -1.190 13.537 759 HB2 HIS 96 1HB HIS 96 38.978 -2.190 11.289 760 HB3 HIS 96 2HB HIS 96 39.520 -0.674 10.574 761 HD1 HIS 96 HD1 HIS 96 42.029 -0.125 10.694 762 HD2 HIS 96 HD2 HIS 96 40.998 -3.712 12.540 763 HE1 HIS 96 HE1 HIS 96 44.203 -1.297 11.169 764 HE2 HIS 96 HE2 HIS 96 43.552 -3.515 12.179 765 H HIS 97 H HIS 97 40.130 0.241 14.821 766 HA HIS 97 HA HIS 97 41.099 2.759 13.725 767 HB2 HIS 97 1HB HIS 97 39.969 2.786 15.920 768 HB3 HIS 97 2HB HIS 97 41.193 1.697 16.561 769 HD1 HIS 97 HD1 HIS 97 40.625 5.261 15.573 770 HD2 HIS 97 HD2 HIS 97 43.654 2.893 17.174 771 HE1 HIS 97 HE1 HIS 97 42.389 6.861 16.385 772 HE2 HIS 97 HE2 HIS 97 44.171 5.417 17.433 Start of MODEL 4 1 H1 MET 1 1H MET 1 -6.812 -18.764 -7.547 2 H2 MET 1 2H MET 1 -6.572 -17.536 -6.402 3 H3 MET 1 3H MET 1 -7.374 -18.962 -5.958 4 HA MET 1 HA MET 1 -5.133 -18.973 -5.117 5 HB2 MET 1 1HB MET 1 -5.623 -20.878 -7.411 6 HB3 MET 1 2HB MET 1 -4.310 -21.060 -6.257 7 HG2 MET 1 1HG MET 1 -6.005 -21.182 -4.445 8 HG3 MET 1 2HG MET 1 -7.259 -21.168 -5.684 9 HE1 MET 1 3HE MET 1 -3.741 -22.886 -5.904 10 HE2 MET 1 1HE MET 1 -4.095 -24.509 -5.309 11 HE3 MET 1 2HE MET 1 -4.182 -23.129 -4.214 12 H ALA 2 H ALA 2 -3.442 -17.691 -5.327 13 HA ALA 2 HA ALA 2 -1.844 -17.848 -7.751 14 HB1 ALA 2 3HB ALA 2 -3.329 -15.953 -8.204 15 HB2 ALA 2 1HB ALA 2 -1.663 -15.416 -7.990 16 HB3 ALA 2 2HB ALA 2 -2.835 -15.198 -6.689 17 HA PRO 3 HA PRO 3 1.386 -17.724 -4.684 18 HB2 PRO 3 1HB PRO 3 3.089 -16.550 -6.778 19 HB3 PRO 3 2HB PRO 3 3.291 -18.055 -5.879 20 HG2 PRO 3 1HG PRO 3 2.585 -18.052 -8.469 21 HG3 PRO 3 2HG PRO 3 1.955 -19.260 -7.333 22 HD2 PRO 3 1HD PRO 3 0.626 -16.804 -8.421 23 HD3 PRO 3 2HD PRO 3 -0.053 -18.420 -8.132 24 H LEU 4 H LEU 4 2.730 -16.204 -3.589 25 HA LEU 4 HA LEU 4 1.596 -13.510 -3.753 26 HB2 LEU 4 1HB LEU 4 1.427 -14.922 -1.660 27 HB3 LEU 4 2HB LEU 4 3.161 -14.742 -1.497 28 HG LEU 4 HG LEU 4 2.867 -12.295 -1.327 29 HD11 LEU 4 1HD1 LEU 4 0.624 -11.396 -0.966 30 HD12 LEU 4 2HD1 LEU 4 -0.073 -12.981 -1.297 31 HD13 LEU 4 3HD1 LEU 4 0.774 -12.103 -2.572 32 HD21 LEU 4 3HD2 LEU 4 1.265 -13.936 0.627 33 HD22 LEU 4 1HD2 LEU 4 1.958 -12.344 0.934 34 HD23 LEU 4 2HD2 LEU 4 3.015 -13.728 0.648 35 H GLN 5 H GLN 5 2.810 -11.899 -4.501 36 HA GLN 5 HA GLN 5 5.717 -12.252 -4.551 37 HB2 GLN 5 1HB GLN 5 3.882 -10.347 -5.999 38 HB3 GLN 5 2HB GLN 5 5.630 -10.150 -5.989 39 HG2 GLN 5 1HG GLN 5 5.881 -12.361 -7.002 40 HG3 GLN 5 2HG GLN 5 4.128 -12.546 -7.025 41 HE21 GLN 5 2HE2 GLN 5 6.097 -12.522 -9.208 42 HE22 GLN 5 1HE2 GLN 5 5.567 -11.278 -10.290 43 H GLN 6 H GLN 6 6.881 -11.376 -3.012 44 HA GLN 6 HA GLN 6 5.735 -9.122 -1.508 45 HB2 GLN 6 1HB GLN 6 7.482 -11.388 -0.557 46 HB3 GLN 6 2HB GLN 6 7.192 -9.937 0.391 47 HG2 GLN 6 1HG GLN 6 4.781 -10.431 0.355 48 HG3 GLN 6 2HG GLN 6 5.123 -11.922 -0.523 49 HE21 GLN 6 2HE2 GLN 6 3.916 -11.455 2.122 50 HE22 GLN 6 1HE2 GLN 6 4.874 -12.376 3.231 51 H LYS 7 H LYS 7 6.787 -7.307 -1.565 52 HA LYS 7 HA LYS 7 9.704 -7.299 -1.693 53 HB2 LYS 7 1HB LYS 7 8.855 -6.967 -4.028 54 HB3 LYS 7 2HB LYS 7 7.984 -5.547 -3.470 55 HG2 LYS 7 1HG LYS 7 9.997 -4.834 -4.534 56 HG3 LYS 7 2HG LYS 7 10.157 -4.544 -2.801 57 HD2 LYS 7 1HD LYS 7 11.476 -6.580 -2.571 58 HD3 LYS 7 2HD LYS 7 11.283 -6.913 -4.293 59 HE2 LYS 7 1HE LYS 7 13.452 -5.940 -3.918 60 HE3 LYS 7 2HE LYS 7 12.446 -4.786 -4.791 61 HZ1 LYS 7 3HZ LYS 7 12.054 -3.603 -2.737 62 HZ2 LYS 7 1HZ LYS 7 13.724 -3.747 -3.001 63 HZ3 LYS 7 2HZ LYS 7 12.951 -4.742 -1.864 64 H GLN 8 H GLN 8 10.577 -5.646 -0.441 65 HA GLN 8 HA GLN 8 8.740 -4.260 1.274 66 HB2 GLN 8 1HB GLN 8 11.742 -3.986 1.038 67 HB3 GLN 8 2HB GLN 8 10.748 -3.299 2.318 68 HG2 GLN 8 1HG GLN 8 10.023 -5.641 2.868 69 HG3 GLN 8 2HG GLN 8 11.263 -6.204 1.749 70 HE21 GLN 8 2HE2 GLN 8 11.008 -6.657 4.596 71 HE22 GLN 8 1HE2 GLN 8 12.451 -6.040 5.333 72 H VAL 9 H VAL 9 8.016 -2.265 1.119 73 HA VAL 9 HA VAL 9 9.053 -0.522 -1.008 74 HB VAL 9 HB VAL 9 6.680 0.112 -1.534 75 HG11 VAL 9 1HG1 VAL 9 7.922 -1.367 -3.019 76 HG12 VAL 9 2HG1 VAL 9 6.227 -1.850 -2.949 77 HG13 VAL 9 3HG1 VAL 9 7.443 -2.764 -2.056 78 HG21 VAL 9 3HG2 VAL 9 5.623 -0.688 0.500 79 HG22 VAL 9 1HG2 VAL 9 6.043 -2.352 0.088 80 HG23 VAL 9 2HG2 VAL 9 4.896 -1.458 -0.911 81 H VAL 10 H VAL 10 7.832 1.669 -0.819 82 HA VAL 10 HA VAL 10 7.625 2.403 2.033 83 HB VAL 10 HB VAL 10 8.354 4.237 -0.256 84 HG11 VAL 10 1HG1 VAL 10 9.076 5.770 1.516 85 HG12 VAL 10 2HG1 VAL 10 8.528 4.619 2.733 86 HG13 VAL 10 3HG1 VAL 10 7.361 5.377 1.648 87 HG21 VAL 10 3HG2 VAL 10 10.106 2.573 0.003 88 HG22 VAL 10 1HG2 VAL 10 10.188 2.903 1.733 89 HG23 VAL 10 2HG2 VAL 10 10.664 4.145 0.576 90 H VAL 11 H VAL 11 5.691 3.243 2.661 91 HA VAL 11 HA VAL 11 3.600 3.642 0.722 92 HB VAL 11 HB VAL 11 3.549 4.367 3.657 93 HG11 VAL 11 1HG1 VAL 11 1.340 3.771 1.694 94 HG12 VAL 11 2HG1 VAL 11 1.750 5.357 2.350 95 HG13 VAL 11 3HG1 VAL 11 1.125 4.097 3.414 96 HG21 VAL 11 3HG2 VAL 11 4.177 2.030 3.405 97 HG22 VAL 11 1HG2 VAL 11 2.811 1.765 2.324 98 HG23 VAL 11 2HG2 VAL 11 2.527 2.163 4.020 99 H SER 12 H SER 12 3.823 5.365 -0.573 100 HA SER 12 HA SER 12 5.472 7.565 0.156 101 HB2 SER 12 1HB SER 12 3.668 7.378 -2.257 102 HB3 SER 12 2HB SER 12 5.136 8.337 -2.084 103 HG SER 12 HG SER 12 5.404 6.364 -3.279 104 H ASN 13 H ASN 13 2.057 7.547 -0.908 105 HA ASN 13 HA ASN 13 1.561 9.854 0.802 106 HB2 ASN 13 1HB ASN 13 2.467 10.504 -1.565 107 HB3 ASN 13 2HB ASN 13 0.854 10.067 -2.110 108 HD21 ASN 13 2HD2 ASN 13 2.088 12.619 -2.264 109 HD22 ASN 13 1HD2 ASN 13 1.127 13.724 -1.323 110 H LYS 14 H LYS 14 -0.639 10.331 1.068 111 HA LYS 14 HA LYS 14 -2.475 8.159 0.306 112 HB2 LYS 14 1HB LYS 14 -2.324 8.138 2.658 113 HB3 LYS 14 2HB LYS 14 -2.278 9.893 2.760 114 HG2 LYS 14 1HG LYS 14 -4.639 9.970 2.060 115 HG3 LYS 14 2HG LYS 14 -4.669 8.206 2.037 116 HD2 LYS 14 1HD LYS 14 -5.620 9.116 4.108 117 HD3 LYS 14 2HD LYS 14 -4.187 8.137 4.412 118 HE2 LYS 14 1HE LYS 14 -4.164 10.155 5.781 119 HE3 LYS 14 2HE LYS 14 -2.838 10.172 4.620 120 HZ1 LYS 14 3HZ LYS 14 -3.790 11.854 3.417 121 HZ2 LYS 14 1HZ LYS 14 -4.303 12.277 4.975 122 HZ3 LYS 14 2HZ LYS 14 -5.369 11.495 3.914 123 H ARG 15 H ARG 15 -4.017 8.722 -1.112 124 HA ARG 15 HA ARG 15 -5.103 11.446 -0.982 125 HB2 ARG 15 1HB ARG 15 -4.248 10.077 -3.545 126 HB3 ARG 15 2HB ARG 15 -5.206 11.547 -3.471 127 HG2 ARG 15 1HG ARG 15 -3.182 12.487 -3.787 128 HG3 ARG 15 2HG ARG 15 -3.113 12.351 -2.029 129 HD2 ARG 15 1HD ARG 15 -1.053 11.542 -3.006 130 HD3 ARG 15 2HD ARG 15 -1.933 10.208 -2.262 131 HE ARG 15 HE ARG 15 -2.760 9.929 -4.735 132 HH11 ARG 15 1HH1 ARG 15 0.447 10.718 -3.627 133 HH12 ARG 15 2HH1 ARG 15 1.250 9.927 -4.947 134 HH21 ARG 15 1HH2 ARG 15 -1.731 8.913 -6.511 135 HH22 ARG 15 2HH2 ARG 15 0.008 8.907 -6.596 136 H GLU 16 H GLU 16 -7.052 11.535 -2.551 137 HA GLU 16 HA GLU 16 -8.402 8.936 -2.752 138 HB2 GLU 16 1HB GLU 16 -9.360 10.314 -0.874 139 HB3 GLU 16 2HB GLU 16 -9.775 11.546 -2.057 140 HG2 GLU 16 1HG GLU 16 -11.234 9.950 -3.202 141 HG3 GLU 16 2HG GLU 16 -10.818 8.725 -2.004 142 H LYS 17 H LYS 17 -8.327 8.574 -4.894 143 HA LYS 17 HA LYS 17 -8.372 10.858 -6.699 144 HB2 LYS 17 1HB LYS 17 -7.632 7.971 -6.996 145 HB3 LYS 17 2HB LYS 17 -7.998 8.931 -8.424 146 HG2 LYS 17 1HG LYS 17 -5.889 9.614 -6.375 147 HG3 LYS 17 2HG LYS 17 -5.589 8.847 -7.939 148 HD2 LYS 17 1HD LYS 17 -6.518 10.790 -9.082 149 HD3 LYS 17 2HD LYS 17 -6.858 11.555 -7.531 150 HE2 LYS 17 1HE LYS 17 -4.461 11.585 -7.030 151 HE3 LYS 17 2HE LYS 17 -4.130 10.821 -8.585 152 HZ1 LYS 17 3HZ LYS 17 -3.799 13.211 -8.699 153 HZ2 LYS 17 1HZ LYS 17 -5.396 13.484 -8.196 154 HZ3 LYS 17 2HZ LYS 17 -5.094 12.747 -9.692 155 HA PRO 18 HA PRO 18 -12.729 10.670 -7.170 156 HB2 PRO 18 1HB PRO 18 -12.071 11.996 -9.751 157 HB3 PRO 18 2HB PRO 18 -13.190 12.500 -8.481 158 HG2 PRO 18 1HG PRO 18 -10.832 13.706 -8.784 159 HG3 PRO 18 2HG PRO 18 -11.506 13.402 -7.172 160 HD2 PRO 18 1HD PRO 18 -9.314 11.981 -8.611 161 HD3 PRO 18 2HD PRO 18 -9.489 12.334 -6.880 162 H VAL 19 H VAL 19 -13.620 8.791 -7.685 163 HA VAL 19 HA VAL 19 -12.840 7.303 -10.025 164 HB VAL 19 HB VAL 19 -15.214 6.833 -8.206 165 HG11 VAL 19 1HG1 VAL 19 -15.161 4.555 -9.089 166 HG12 VAL 19 2HG1 VAL 19 -13.825 4.994 -10.154 167 HG13 VAL 19 3HG1 VAL 19 -15.412 5.731 -10.380 168 HG21 VAL 19 3HG2 VAL 19 -12.450 5.633 -8.112 169 HG22 VAL 19 1HG2 VAL 19 -13.813 5.159 -7.099 170 HG23 VAL 19 2HG2 VAL 19 -13.124 6.777 -6.952 171 H ASN 20 H ASN 20 -13.253 8.600 -11.770 172 HA ASN 20 HA ASN 20 -15.825 9.844 -12.110 173 HB2 ASN 20 1HB ASN 20 -13.739 10.891 -12.960 174 HB3 ASN 20 2HB ASN 20 -13.563 9.564 -14.103 175 HD21 ASN 20 2HD2 ASN 20 -15.380 12.391 -13.250 176 HD22 ASN 20 1HD2 ASN 20 -16.200 12.577 -14.765 177 H ASP 21 H ASP 21 -17.402 8.341 -12.269 178 HA ASP 21 HA ASP 21 -17.122 6.073 -14.024 179 HB2 ASP 21 1HB ASP 21 -18.450 5.949 -11.919 180 HB3 ASP 21 2HB ASP 21 -19.605 7.083 -12.617 181 H ARG 22 H ARG 22 -18.577 5.674 -15.830 182 HA ARG 22 HA ARG 22 -18.847 8.172 -17.346 183 HB2 ARG 22 1HB ARG 22 -18.520 5.331 -18.320 184 HB3 ARG 22 2HB ARG 22 -18.624 6.756 -19.347 185 HG2 ARG 22 1HG ARG 22 -16.458 7.155 -19.122 186 HG3 ARG 22 2HG ARG 22 -16.572 7.092 -17.363 187 HD2 ARG 22 1HD ARG 22 -16.247 4.742 -19.227 188 HD3 ARG 22 2HD ARG 22 -15.007 5.419 -18.172 189 HE ARG 22 HE ARG 22 -17.471 4.122 -17.175 190 HH11 ARG 22 1HH1 ARG 22 -14.040 4.789 -16.939 191 HH12 ARG 22 2HH1 ARG 22 -13.823 3.822 -15.518 192 HH21 ARG 22 1HH2 ARG 22 -17.194 2.865 -15.312 193 HH22 ARG 22 2HH2 ARG 22 -15.616 2.717 -14.588 194 H ARG 23 H ARG 23 -20.809 6.224 -15.638 195 HA ARG 23 HA ARG 23 -23.057 6.787 -17.442 196 HB2 ARG 23 1HB ARG 23 -22.459 4.410 -17.675 197 HB3 ARG 23 2HB ARG 23 -22.649 4.196 -15.941 198 HG2 ARG 23 1HG ARG 23 -24.574 3.360 -17.170 199 HG3 ARG 23 2HG ARG 23 -25.016 4.704 -16.118 200 HD2 ARG 23 1HD ARG 23 -25.043 6.221 -17.994 201 HD3 ARG 23 2HD ARG 23 -24.444 4.956 -19.068 202 HE ARG 23 HE ARG 23 -26.556 3.849 -18.868 203 HH11 ARG 23 1HH1 ARG 23 -26.456 7.102 -17.564 204 HH12 ARG 23 2HH1 ARG 23 -28.184 7.269 -17.521 205 HH21 ARG 23 1HH2 ARG 23 -28.825 4.073 -18.815 206 HH22 ARG 23 2HH2 ARG 23 -29.531 5.547 -18.229 207 H SER 24 H SER 24 -23.139 5.024 -14.405 208 HA SER 24 HA SER 24 -23.707 7.063 -12.626 209 HB2 SER 24 1HB SER 24 -26.189 6.899 -12.453 210 HB3 SER 24 2HB SER 24 -25.662 7.605 -13.980 211 HG SER 24 HG SER 24 -27.229 6.087 -14.429 212 H ARG 25 H ARG 25 -24.829 6.211 -10.629 213 HA ARG 25 HA ARG 25 -23.831 3.541 -10.101 214 HB2 ARG 25 1HB ARG 25 -25.357 5.357 -8.232 215 HB3 ARG 25 2HB ARG 25 -24.326 4.002 -7.795 216 HG2 ARG 25 1HG ARG 25 -22.370 5.196 -8.536 217 HG3 ARG 25 2HG ARG 25 -23.369 6.526 -9.123 218 HD2 ARG 25 1HD ARG 25 -24.210 6.749 -6.740 219 HD3 ARG 25 2HD ARG 25 -22.896 5.665 -6.281 220 HE ARG 25 HE ARG 25 -21.870 7.779 -7.837 221 HH11 ARG 25 1HH1 ARG 25 -23.185 7.163 -4.635 222 HH12 ARG 25 2HH1 ARG 25 -22.359 8.517 -3.919 223 HH21 ARG 25 1HH2 ARG 25 -20.793 9.541 -6.874 224 HH22 ARG 25 2HH2 ARG 25 -21.004 9.858 -5.178 225 H GLN 26 H GLN 26 -26.513 4.611 -11.527 226 HA GLN 26 HA GLN 26 -28.588 3.245 -10.109 227 HB2 GLN 26 1HB GLN 26 -28.559 4.305 -12.940 228 HB3 GLN 26 2HB GLN 26 -29.986 3.853 -12.019 229 HG2 GLN 26 1HG GLN 26 -29.647 5.663 -10.489 230 HG3 GLN 26 2HG GLN 26 -28.094 6.053 -11.230 231 HE21 GLN 26 2HE2 GLN 26 -30.469 7.710 -10.874 232 HE22 GLN 26 1HE2 GLN 26 -30.934 8.231 -12.461 233 H GLN 27 H GLN 27 -26.207 2.314 -12.356 234 HA GLN 27 HA GLN 27 -27.681 0.193 -13.604 235 HB2 GLN 27 1HB GLN 27 -25.832 1.364 -14.739 236 HB3 GLN 27 2HB GLN 27 -24.705 0.723 -13.551 237 HG2 GLN 27 1HG GLN 27 -25.121 -1.525 -14.301 238 HG3 GLN 27 2HG GLN 27 -26.369 -0.957 -15.410 239 HE21 GLN 27 2HE2 GLN 27 -23.911 -2.445 -15.933 240 HE22 GLN 27 1HE2 GLN 27 -23.016 -1.492 -17.083 241 H GLU 28 H GLU 28 -25.074 0.327 -11.189 242 HA GLU 28 HA GLU 28 -25.384 -2.527 -10.677 243 HB2 GLU 28 1HB GLU 28 -23.358 -0.486 -9.767 244 HB3 GLU 28 2HB GLU 28 -23.401 -2.125 -9.135 245 HG2 GLU 28 1HG GLU 28 -23.112 -1.466 -12.056 246 HG3 GLU 28 2HG GLU 28 -21.752 -1.734 -10.967 247 H VAL 29 H VAL 29 -24.855 -2.886 -8.099 248 HA VAL 29 HA VAL 29 -27.261 -2.172 -6.777 249 HB VAL 29 HB VAL 29 -24.727 -3.219 -5.504 250 HG11 VAL 29 1HG1 VAL 29 -26.375 -2.373 -3.915 251 HG12 VAL 29 2HG1 VAL 29 -26.223 -4.127 -3.801 252 HG13 VAL 29 3HG1 VAL 29 -27.607 -3.413 -4.630 253 HG21 VAL 29 3HG2 VAL 29 -27.010 -4.759 -6.732 254 HG22 VAL 29 1HG2 VAL 29 -25.685 -5.461 -5.805 255 HG23 VAL 29 2HG2 VAL 29 -25.360 -4.667 -7.344 256 H SER 30 H SER 30 -23.916 -1.125 -6.477 257 HA SER 30 HA SER 30 -22.931 0.728 -5.652 258 HB2 SER 30 1HB SER 30 -24.607 1.944 -7.028 259 HB3 SER 30 2HB SER 30 -25.702 1.956 -5.645 260 HG SER 30 HG SER 30 -24.697 3.685 -5.034 261 HA PRO 31 HA PRO 31 -24.058 -0.042 -1.310 262 HB2 PRO 31 1HB PRO 31 -21.972 -1.564 -0.624 263 HB3 PRO 31 2HB PRO 31 -23.338 -2.244 -1.514 264 HG2 PRO 31 1HG PRO 31 -20.609 -1.595 -2.455 265 HG3 PRO 31 2HG PRO 31 -21.752 -2.803 -3.063 266 HD2 PRO 31 1HD PRO 31 -21.239 -0.185 -4.107 267 HD3 PRO 31 2HD PRO 31 -22.418 -1.375 -4.687 268 H ALA 32 H ALA 32 -22.281 1.980 -2.867 269 HA ALA 32 HA ALA 32 -21.070 3.822 -2.369 270 HB1 ALA 32 3HB ALA 32 -22.425 3.971 -0.327 271 HB2 ALA 32 1HB ALA 32 -20.778 4.559 -0.090 272 HB3 ALA 32 2HB ALA 32 -21.243 2.968 0.514 273 H GLY 33 H GLY 33 -19.973 0.972 -0.548 274 HA2 GLY 33 1HA GLY 33 -17.900 -0.091 -0.726 275 HA3 GLY 33 2HA GLY 33 -17.336 1.232 -1.743 276 H THR 34 H THR 34 -17.168 3.370 -0.552 277 HA THR 34 HA THR 34 -16.719 3.250 2.294 278 HB THR 34 HB THR 34 -14.376 3.974 0.508 279 HG1 THR 34 HG1 THR 34 -15.214 1.555 1.364 280 HG21 THR 34 3HG2 THR 34 -13.113 4.011 2.615 281 HG22 THR 34 1HG2 THR 34 -14.596 3.662 3.505 282 HG23 THR 34 2HG2 THR 34 -14.430 5.184 2.630 283 H SER 35 H SER 35 -17.311 5.175 3.137 284 HA SER 35 HA SER 35 -18.407 7.213 1.598 285 HB2 SER 35 1HB SER 35 -17.269 7.505 4.384 286 HB3 SER 35 2HB SER 35 -18.535 8.490 3.651 287 HG SER 35 HG SER 35 -19.932 6.783 3.738 288 H MET 36 H MET 36 -15.368 7.362 3.420 289 HA MET 36 HA MET 36 -14.256 9.046 1.277 290 HB2 MET 36 1HB MET 36 -13.735 9.226 4.252 291 HB3 MET 36 2HB MET 36 -12.780 10.063 3.035 292 HG2 MET 36 1HG MET 36 -14.802 11.263 2.312 293 HG3 MET 36 2HG MET 36 -15.711 10.461 3.591 294 HE1 MET 36 3HE MET 36 -12.781 12.931 2.764 295 HE2 MET 36 1HE MET 36 -12.000 11.716 3.776 296 HE3 MET 36 2HE MET 36 -12.212 13.362 4.377 297 H ARG 37 H ARG 37 -12.676 8.046 0.236 298 HA ARG 37 HA ARG 37 -11.621 5.580 1.404 299 HB2 ARG 37 1HB ARG 37 -11.290 6.688 -1.388 300 HB3 ARG 37 2HB ARG 37 -10.790 5.093 -0.844 301 HG2 ARG 37 1HG ARG 37 -13.136 4.519 -0.422 302 HG3 ARG 37 2HG ARG 37 -13.617 6.112 -1.018 303 HD2 ARG 37 1HD ARG 37 -12.288 3.888 -2.553 304 HD3 ARG 37 2HD ARG 37 -13.891 4.573 -2.816 305 HE ARG 37 HE ARG 37 -11.346 5.661 -3.691 306 HH11 ARG 37 1HH1 ARG 37 -14.750 6.261 -3.134 307 HH12 ARG 37 2HH1 ARG 37 -14.812 7.660 -4.159 308 HH21 ARG 37 1HH2 ARG 37 -11.417 7.486 -5.055 309 HH22 ARG 37 2HH2 ARG 37 -12.908 8.361 -5.253 310 H TYR 38 H TYR 38 -9.466 5.157 1.654 311 HA TYR 38 HA TYR 38 -7.645 7.431 1.282 312 HB2 TYR 38 1HB TYR 38 -7.594 5.227 3.346 313 HB3 TYR 38 2HB TYR 38 -6.225 6.291 3.040 314 HD1 TYR 38 HD2 TYR 38 -8.052 8.762 2.485 315 HD2 TYR 38 HD1 TYR 38 -7.847 5.924 5.651 316 HE1 TYR 38 HE2 TYR 38 -8.966 10.433 4.034 317 HE2 TYR 38 HE1 TYR 38 -8.765 7.592 7.207 318 HH TYR 38 HH TYR 38 -8.814 10.135 7.338 319 H GLU 39 H GLU 39 -6.741 7.089 -0.607 320 HA GLU 39 HA GLU 39 -5.971 4.357 -1.340 321 HB2 GLU 39 1HB GLU 39 -6.205 6.790 -3.123 322 HB3 GLU 39 2HB GLU 39 -6.047 5.109 -3.631 323 HG2 GLU 39 1HG GLU 39 -8.225 4.587 -2.741 324 HG3 GLU 39 2HG GLU 39 -8.381 6.209 -2.075 325 H ALA 40 H ALA 40 -3.878 3.835 -1.411 326 HA ALA 40 HA ALA 40 -1.979 6.033 -0.912 327 HB1 ALA 40 3HB ALA 40 -1.903 3.258 0.268 328 HB2 ALA 40 1HB ALA 40 -2.462 4.708 1.105 329 HB3 ALA 40 2HB ALA 40 -0.776 4.573 0.602 330 H SER 41 H SER 41 -0.137 6.071 -2.008 331 HA SER 41 HA SER 41 0.274 4.058 -4.081 332 HB2 SER 41 1HB SER 41 1.715 6.689 -3.663 333 HB3 SER 41 2HB SER 41 1.763 5.675 -5.105 334 HG SER 41 HG SER 41 -0.391 6.154 -5.491 335 H PHE 42 H PHE 42 1.893 2.631 -4.015 336 HA PHE 42 HA PHE 42 3.776 2.795 -1.768 337 HB2 PHE 42 1HB PHE 42 2.979 0.461 -3.522 338 HB3 PHE 42 2HB PHE 42 4.194 0.382 -2.251 339 HD1 PHE 42 HD2 PHE 42 3.563 0.444 0.083 340 HD2 PHE 42 HD1 PHE 42 0.623 0.611 -2.990 341 HE1 PHE 42 HE2 PHE 42 1.811 -0.065 1.734 342 HE2 PHE 42 HE1 PHE 42 -1.133 0.104 -1.344 343 HZ PHE 42 HZ PHE 42 -0.539 -0.238 1.023 344 H LYS 43 H LYS 43 5.870 3.017 -2.060 345 HA LYS 43 HA LYS 43 6.813 3.603 -4.761 346 HB2 LYS 43 1HB LYS 43 7.080 5.215 -2.850 347 HB3 LYS 43 2HB LYS 43 8.159 4.055 -2.091 348 HG2 LYS 43 1HG LYS 43 9.703 4.257 -3.973 349 HG3 LYS 43 2HG LYS 43 8.616 5.421 -4.736 350 HD2 LYS 43 1HD LYS 43 8.842 6.858 -2.712 351 HD3 LYS 43 2HD LYS 43 10.056 5.731 -2.103 352 HE2 LYS 43 1HE LYS 43 11.113 7.643 -3.171 353 HE3 LYS 43 2HE LYS 43 11.441 6.163 -4.073 354 HZ1 LYS 43 3HZ LYS 43 10.848 8.077 -5.492 355 HZ2 LYS 43 1HZ LYS 43 9.312 8.113 -4.771 356 HZ3 LYS 43 2HZ LYS 43 9.797 6.760 -5.680 357 HA PRO 44 HA PRO 44 8.680 -0.489 -4.649 358 HB2 PRO 44 1HB PRO 44 9.578 0.230 -7.350 359 HB3 PRO 44 2HB PRO 44 8.527 -1.093 -6.838 360 HG2 PRO 44 1HG PRO 44 7.577 1.023 -8.197 361 HG3 PRO 44 2HG PRO 44 6.618 0.202 -6.950 362 HD2 PRO 44 1HD PRO 44 8.177 2.759 -6.766 363 HD3 PRO 44 2HD PRO 44 6.559 2.379 -6.133 364 H LEU 45 H LEU 45 10.581 -0.846 -3.720 365 HA LEU 45 HA LEU 45 12.725 1.058 -3.900 366 HB2 LEU 45 1HB LEU 45 12.558 -1.645 -2.571 367 HB3 LEU 45 2HB LEU 45 13.942 -0.576 -2.451 368 HG LEU 45 HG LEU 45 11.158 -0.005 -1.426 369 HD11 LEU 45 1HD1 LEU 45 12.350 -1.630 -0.078 370 HD12 LEU 45 2HD1 LEU 45 12.240 -0.089 0.773 371 HD13 LEU 45 3HD1 LEU 45 13.753 -0.564 0.001 372 HD21 LEU 45 3HD2 LEU 45 13.670 1.663 -1.284 373 HD22 LEU 45 1HD2 LEU 45 12.151 2.019 -0.460 374 HD23 LEU 45 2HD2 LEU 45 12.223 2.035 -2.221 375 H ASN 46 H ASN 46 11.738 -1.590 -5.722 376 HA ASN 46 HA ASN 46 14.351 -1.612 -7.083 377 HB2 ASN 46 1HB ASN 46 13.900 -3.775 -5.931 378 HB3 ASN 46 2HB ASN 46 12.422 -3.941 -6.872 379 HD21 ASN 46 2HD2 ASN 46 12.564 -4.389 -9.083 380 HD22 ASN 46 1HD2 ASN 46 14.021 -4.993 -9.800 381 H GLY 47 H GLY 47 13.857 -0.141 -8.634 382 HA2 GLY 47 1HA GLY 47 13.126 -0.058 -10.950 383 HA3 GLY 47 2HA GLY 47 11.653 -0.880 -10.453 384 H GLY 48 H GLY 48 10.142 0.603 -11.027 385 HA2 GLY 48 1HA GLY 48 9.995 2.996 -9.399 386 HA3 GLY 48 2HA GLY 48 10.156 3.281 -11.126 387 H LEU 49 H LEU 49 8.096 4.335 -10.951 388 HA LEU 49 HA LEU 49 5.871 4.496 -11.250 389 HB2 LEU 49 1HB LEU 49 6.212 2.821 -13.006 390 HB3 LEU 49 2HB LEU 49 5.997 1.539 -11.830 391 HG LEU 49 HG LEU 49 3.673 2.287 -11.459 392 HD11 LEU 49 1HD1 LEU 49 4.265 4.218 -13.697 393 HD12 LEU 49 2HD1 LEU 49 3.907 4.631 -12.020 394 HD13 LEU 49 3HD1 LEU 49 2.667 3.884 -13.028 395 HD21 LEU 49 3HD2 LEU 49 4.151 0.521 -13.067 396 HD22 LEU 49 1HD2 LEU 49 4.361 1.724 -14.339 397 HD23 LEU 49 2HD2 LEU 49 2.781 1.500 -13.590 398 H GLU 50 H GLU 50 5.159 5.077 -9.314 399 HA GLU 50 HA GLU 50 4.940 3.342 -7.075 400 HB2 GLU 50 1HB GLU 50 3.650 6.012 -7.655 401 HB3 GLU 50 2HB GLU 50 3.577 5.191 -6.100 402 HG2 GLU 50 1HG GLU 50 5.943 5.386 -5.815 403 HG3 GLU 50 2HG GLU 50 6.135 6.011 -7.453 404 H LYS 51 H LYS 51 3.390 1.976 -6.525 405 HA LYS 51 HA LYS 51 1.105 1.676 -8.304 406 HB2 LYS 51 1HB LYS 51 2.184 -0.044 -6.068 407 HB3 LYS 51 2HB LYS 51 0.737 -0.430 -6.986 408 HG2 LYS 51 1HG LYS 51 1.990 -0.693 -8.996 409 HG3 LYS 51 2HG LYS 51 3.450 -0.065 -8.228 410 HD2 LYS 51 1HD LYS 51 3.565 -1.973 -6.769 411 HD3 LYS 51 2HD LYS 51 2.014 -2.566 -7.358 412 HE2 LYS 51 1HE LYS 51 3.963 -3.753 -8.323 413 HE3 LYS 51 2HE LYS 51 2.931 -2.990 -9.530 414 HZ1 LYS 51 3HZ LYS 51 5.301 -1.582 -8.498 415 HZ2 LYS 51 1HZ LYS 51 4.498 -1.374 -9.974 416 HZ3 LYS 51 2HZ LYS 51 5.468 -2.743 -9.716 417 H THR 52 H THR 52 -0.719 2.713 -7.837 418 HA THR 52 HA THR 52 -1.247 3.466 -5.058 419 HB THR 52 HB THR 52 -2.746 4.282 -7.558 420 HG1 THR 52 HG1 THR 52 -0.646 5.141 -7.593 421 HG21 THR 52 3HG2 THR 52 -2.809 5.380 -4.744 422 HG22 THR 52 1HG2 THR 52 -4.086 4.441 -5.517 423 HG23 THR 52 2HG2 THR 52 -3.678 6.045 -6.126 424 H PHE 53 H PHE 53 -2.409 2.113 -3.880 425 HA PHE 53 HA PHE 53 -4.515 0.551 -5.222 426 HB2 PHE 53 1HB PHE 53 -2.949 -0.096 -2.714 427 HB3 PHE 53 2HB PHE 53 -4.310 -1.039 -3.308 428 HD1 PHE 53 HD1 PHE 53 -4.092 -1.873 -5.779 429 HD2 PHE 53 HD2 PHE 53 -0.816 -0.703 -3.330 430 HE1 PHE 53 HE1 PHE 53 -2.571 -3.197 -7.188 431 HE2 PHE 53 HE2 PHE 53 0.712 -2.023 -4.736 432 HZ PHE 53 HZ PHE 53 -0.166 -3.273 -6.669 433 H ARG 54 H ARG 54 -6.564 0.665 -4.459 434 HA ARG 54 HA ARG 54 -7.174 2.876 -2.720 435 HB2 ARG 54 1HB ARG 54 -9.106 0.834 -3.815 436 HB3 ARG 54 2HB ARG 54 -9.474 2.450 -3.230 437 HG2 ARG 54 1HG ARG 54 -8.029 3.305 -5.133 438 HG3 ARG 54 2HG ARG 54 -8.089 1.659 -5.771 439 HD2 ARG 54 1HD ARG 54 -10.611 1.841 -5.576 440 HD3 ARG 54 2HD ARG 54 -10.363 3.566 -5.307 441 HE ARG 54 HE ARG 54 -9.818 2.094 -7.790 442 HH11 ARG 54 1HH1 ARG 54 -9.933 5.152 -6.070 443 HH12 ARG 54 2HH1 ARG 54 -10.021 6.096 -7.527 444 HH21 ARG 54 1HH2 ARG 54 -9.969 3.325 -9.693 445 HH22 ARG 54 2HH2 ARG 54 -10.047 5.063 -9.590 446 H LEU 55 H LEU 55 -7.622 2.793 -0.610 447 HA LEU 55 HA LEU 55 -7.947 0.130 0.603 448 HB2 LEU 55 1HB LEU 55 -6.467 2.509 1.730 449 HB3 LEU 55 2HB LEU 55 -6.773 1.019 2.598 450 HG LEU 55 HG LEU 55 -5.114 1.237 0.085 451 HD11 LEU 55 1HD1 LEU 55 -4.279 0.931 2.968 452 HD12 LEU 55 2HD1 LEU 55 -4.034 2.355 1.957 453 HD13 LEU 55 3HD1 LEU 55 -3.204 0.848 1.573 454 HD21 LEU 55 3HD2 LEU 55 -4.447 -1.050 0.603 455 HD22 LEU 55 1HD2 LEU 55 -6.189 -0.943 0.359 456 HD23 LEU 55 2HD2 LEU 55 -5.535 -1.064 1.992 457 H GLN 56 H GLN 56 -9.475 -0.116 2.134 458 HA GLN 56 HA GLN 56 -11.437 1.981 2.431 459 HB2 GLN 56 1HB GLN 56 -11.291 -0.764 3.704 460 HB3 GLN 56 2HB GLN 56 -12.672 0.322 3.775 461 HG2 GLN 56 1HG GLN 56 -12.888 0.192 1.334 462 HG3 GLN 56 2HG GLN 56 -11.530 -0.931 1.286 463 HE21 GLN 56 2HE2 GLN 56 -14.285 -1.299 0.416 464 HE22 GLN 56 1HE2 GLN 56 -14.887 -2.660 1.298 465 H ALA 57 H ALA 57 -12.278 2.256 4.815 466 HA ALA 57 HA ALA 57 -10.403 3.869 6.062 467 HB1 ALA 57 3HB ALA 57 -12.829 2.624 7.343 468 HB2 ALA 57 1HB ALA 57 -12.837 4.076 6.342 469 HB3 ALA 57 2HB ALA 57 -11.978 4.072 7.882 470 H GLN 58 H GLN 58 -11.634 0.761 7.343 471 HA GLN 58 HA GLN 58 -9.852 0.654 9.501 472 HB2 GLN 58 1HB GLN 58 -11.368 -1.529 8.084 473 HB3 GLN 58 2HB GLN 58 -10.410 -1.814 9.531 474 HG2 GLN 58 1HG GLN 58 -12.740 0.077 9.313 475 HG3 GLN 58 2HG GLN 58 -12.777 -1.529 10.037 476 HE21 GLN 58 2HE2 GLN 58 -13.328 1.119 11.175 477 HE22 GLN 58 1HE2 GLN 58 -12.295 1.245 12.561 478 H GLN 59 H GLN 59 -9.344 -0.121 6.176 479 HA GLN 59 HA GLN 59 -7.094 -1.835 6.573 480 HB2 GLN 59 1HB GLN 59 -8.156 -0.338 4.191 481 HB3 GLN 59 2HB GLN 59 -6.634 -1.217 4.122 482 HG2 GLN 59 1HG GLN 59 -7.774 -3.282 4.685 483 HG3 GLN 59 2HG GLN 59 -9.302 -2.414 4.831 484 HE21 GLN 59 2HE2 GLN 59 -8.434 -4.620 3.058 485 HE22 GLN 59 1HE2 GLN 59 -8.773 -4.061 1.454 486 H TYR 60 H TYR 60 -7.459 1.612 5.734 487 HA TYR 60 HA TYR 60 -4.691 2.145 5.587 488 HB2 TYR 60 1HB TYR 60 -6.312 3.684 4.613 489 HB3 TYR 60 2HB TYR 60 -6.953 4.057 6.213 490 HD1 TYR 60 HD2 TYR 60 -3.845 4.228 4.175 491 HD2 TYR 60 HD1 TYR 60 -6.011 5.792 7.489 492 HE1 TYR 60 HE2 TYR 60 -2.151 5.990 4.446 493 HE2 TYR 60 HE1 TYR 60 -4.321 7.552 7.772 494 HH TYR 60 HH TYR 60 -1.981 7.963 7.218 495 H HIS 61 H HIS 61 -6.868 1.881 8.288 496 HA HIS 61 HA HIS 61 -5.506 3.284 10.255 497 HB2 HIS 61 1HB HIS 61 -7.200 0.817 10.331 498 HB3 HIS 61 2HB HIS 61 -6.354 1.327 11.786 499 HD1 HIS 61 HD1 HIS 61 -7.895 2.545 13.260 500 HD2 HIS 61 HD2 HIS 61 -8.639 3.362 9.252 501 HE1 HIS 61 HE1 HIS 61 -9.810 4.173 13.243 502 HE2 HIS 61 HE2 HIS 61 -10.387 4.461 10.810 503 H ALA 62 H ALA 62 -4.647 0.248 8.751 504 HA ALA 62 HA ALA 62 -2.534 -0.214 10.724 505 HB1 ALA 62 3HB ALA 62 -3.980 -2.096 10.098 506 HB2 ALA 62 1HB ALA 62 -2.289 -2.398 9.697 507 HB3 ALA 62 2HB ALA 62 -3.431 -1.950 8.429 508 H LEU 63 H LEU 63 -2.814 1.645 8.115 509 HA LEU 63 HA LEU 63 -0.172 0.988 7.002 510 HB2 LEU 63 1HB LEU 63 -2.638 2.177 5.869 511 HB3 LEU 63 2HB LEU 63 -1.119 2.833 5.293 512 HG LEU 63 HG LEU 63 -1.948 1.102 3.799 513 HD11 LEU 63 1HD1 LEU 63 0.451 1.403 3.985 514 HD12 LEU 63 2HD1 LEU 63 0.060 -0.294 3.709 515 HD13 LEU 63 3HD1 LEU 63 0.509 0.255 5.323 516 HD21 LEU 63 3HD2 LEU 63 -2.049 -1.239 4.512 517 HD22 LEU 63 1HD2 LEU 63 -3.213 -0.238 5.382 518 HD23 LEU 63 2HD2 LEU 63 -1.718 -0.744 6.172 519 H THR 64 H THR 64 1.468 2.384 7.139 520 HA THR 64 HA THR 64 0.923 5.048 8.265 521 HB THR 64 HB THR 64 3.413 3.403 8.766 522 HG1 THR 64 HG1 THR 64 1.120 3.824 10.424 523 HG21 THR 64 3HG2 THR 64 3.720 5.832 8.935 524 HG22 THR 64 1HG2 THR 64 3.851 5.059 10.516 525 HG23 THR 64 2HG2 THR 64 2.377 5.923 10.076 526 H VAL 65 H VAL 65 1.474 6.631 6.893 527 HA VAL 65 HA VAL 65 2.919 6.163 4.501 528 HB VAL 65 HB VAL 65 2.060 8.722 5.857 529 HG11 VAL 65 1HG1 VAL 65 3.377 8.395 3.161 530 HG12 VAL 65 2HG1 VAL 65 4.073 9.199 4.568 531 HG13 VAL 65 3HG1 VAL 65 2.654 9.882 3.775 532 HG21 VAL 65 3HG2 VAL 65 0.442 8.811 4.043 533 HG22 VAL 65 1HG2 VAL 65 0.297 7.291 4.928 534 HG23 VAL 65 2HG2 VAL 65 1.108 7.326 3.360 535 H GLY 66 H GLY 66 5.021 6.173 4.110 536 HA2 GLY 66 1HA GLY 66 7.261 6.905 4.373 537 HA3 GLY 66 2HA GLY 66 6.859 7.488 5.982 538 H ASP 67 H ASP 67 5.398 4.789 6.301 539 HA ASP 67 HA ASP 67 7.606 3.574 7.674 540 HB2 ASP 67 1HB ASP 67 5.252 3.599 8.553 541 HB3 ASP 67 2HB ASP 67 4.828 2.445 7.293 542 H GLN 68 H GLN 68 9.077 2.860 6.206 543 HA GLN 68 HA GLN 68 8.676 1.249 3.986 544 HB2 GLN 68 1HB GLN 68 10.903 1.055 6.026 545 HB3 GLN 68 2HB GLN 68 10.925 0.293 4.445 546 HG2 GLN 68 1HG GLN 68 10.802 2.532 3.406 547 HG3 GLN 68 2HG GLN 68 10.895 3.247 5.016 548 HE21 GLN 68 2HE2 GLN 68 12.740 3.506 2.757 549 HE22 GLN 68 1HE2 GLN 68 14.278 2.953 3.341 550 H GLY 69 H GLY 69 7.922 -0.748 3.680 551 HA2 GLY 69 1HA GLY 69 8.188 -2.805 5.683 552 HA3 GLY 69 2HA GLY 69 6.539 -2.225 5.487 553 H THR 70 H THR 70 6.694 -4.759 4.947 554 HA THR 70 HA THR 70 7.550 -5.204 2.202 555 HB THR 70 HB THR 70 6.334 -7.211 4.106 556 HG1 THR 70 HG1 THR 70 8.593 -5.925 4.414 557 HG21 THR 70 3HG2 THR 70 8.106 -7.528 1.677 558 HG22 THR 70 1HG2 THR 70 6.387 -7.917 1.764 559 HG23 THR 70 2HG2 THR 70 7.550 -8.840 2.716 560 H LEU 71 H LEU 71 6.178 -5.807 0.540 561 HA LEU 71 HA LEU 71 3.317 -5.342 1.056 562 HB2 LEU 71 1HB LEU 71 4.450 -3.596 -0.304 563 HB3 LEU 71 2HB LEU 71 4.876 -4.825 -1.478 564 HG LEU 71 HG LEU 71 2.461 -5.221 -1.892 565 HD11 LEU 71 1HD1 LEU 71 0.843 -3.587 -1.054 566 HD12 LEU 71 2HD1 LEU 71 2.111 -2.834 -0.085 567 HD13 LEU 71 3HD1 LEU 71 1.600 -4.487 0.260 568 HD21 LEU 71 3HD2 LEU 71 2.085 -3.177 -3.162 569 HD22 LEU 71 1HD2 LEU 71 3.759 -3.709 -3.317 570 HD23 LEU 71 2HD2 LEU 71 3.358 -2.362 -2.251 571 H SER 72 H SER 72 2.137 -7.083 0.845 572 HA SER 72 HA SER 72 3.087 -9.306 -0.823 573 HB2 SER 72 1HB SER 72 0.940 -9.223 1.316 574 HB3 SER 72 2HB SER 72 1.480 -10.663 0.455 575 HG SER 72 HG SER 72 3.328 -9.061 1.845 576 H TYR 73 H TYR 73 2.346 -9.153 -2.840 577 HA TYR 73 HA TYR 73 -0.512 -8.610 -3.200 578 HB2 TYR 73 1HB TYR 73 0.016 -7.292 -5.235 579 HB3 TYR 73 2HB TYR 73 0.608 -6.544 -3.759 580 HD1 TYR 73 HD2 TYR 73 3.024 -6.475 -3.285 581 HD2 TYR 73 HD1 TYR 73 1.530 -8.067 -6.936 582 HE1 TYR 73 HE2 TYR 73 5.269 -6.299 -4.270 583 HE2 TYR 73 HE1 TYR 73 3.770 -7.895 -7.932 584 HH TYR 73 HH TYR 73 6.568 -7.329 -6.094 585 H LYS 74 H LYS 74 -1.390 -9.437 -5.184 586 HA LYS 74 HA LYS 74 0.198 -11.615 -6.362 587 HB2 LYS 74 1HB LYS 74 -2.728 -11.642 -5.595 588 HB3 LYS 74 2HB LYS 74 -1.968 -12.872 -6.598 589 HG2 LYS 74 1HG LYS 74 -0.500 -13.499 -4.797 590 HG3 LYS 74 2HG LYS 74 -1.118 -12.188 -3.794 591 HD2 LYS 74 1HD LYS 74 -3.312 -13.225 -3.748 592 HD3 LYS 74 2HD LYS 74 -2.744 -14.510 -4.819 593 HE2 LYS 74 1HE LYS 74 -1.153 -15.243 -3.143 594 HE3 LYS 74 2HE LYS 74 -1.623 -13.918 -2.081 595 HZ1 LYS 74 3HZ LYS 74 -3.448 -16.082 -2.978 596 HZ2 LYS 74 1HZ LYS 74 -3.792 -14.867 -1.843 597 HZ3 LYS 74 2HZ LYS 74 -2.639 -16.061 -1.489 598 H GLY 75 H GLY 75 0.638 -11.061 -8.371 599 HA2 GLY 75 1HA GLY 75 0.411 -10.216 -10.493 600 HA3 GLY 75 2HA GLY 75 -1.331 -10.332 -10.267 601 H THR 76 H THR 76 -2.405 -8.494 -10.298 602 HA THR 76 HA THR 76 -0.927 -6.001 -9.759 603 HB THR 76 HB THR 76 -2.817 -4.913 -11.044 604 HG1 THR 76 HG1 THR 76 -3.390 -7.654 -11.638 605 HG21 THR 76 3HG2 THR 76 -1.928 -5.534 -13.235 606 HG22 THR 76 1HG2 THR 76 -1.158 -6.954 -12.527 607 HG23 THR 76 2HG2 THR 76 -0.627 -5.339 -12.060 608 H ARG 77 H ARG 77 -2.666 -8.006 -8.037 609 HA ARG 77 HA ARG 77 -4.554 -6.016 -6.974 610 HB2 ARG 77 1HB ARG 77 -5.497 -8.150 -7.862 611 HB3 ARG 77 2HB ARG 77 -4.617 -9.013 -6.607 612 HG2 ARG 77 1HG ARG 77 -5.890 -7.927 -4.887 613 HG3 ARG 77 2HG ARG 77 -6.675 -6.881 -6.071 614 HD2 ARG 77 1HD ARG 77 -6.964 -9.869 -5.797 615 HD3 ARG 77 2HD ARG 77 -8.195 -8.644 -5.489 616 HE ARG 77 HE ARG 77 -7.055 -8.953 -8.184 617 HH11 ARG 77 1HH1 ARG 77 -9.842 -9.022 -6.041 618 HH12 ARG 77 2HH1 ARG 77 -10.982 -9.151 -7.347 619 HH21 ARG 77 1HH2 ARG 77 -8.530 -9.112 -9.869 620 HH22 ARG 77 2HH2 ARG 77 -10.233 -9.212 -9.536 621 H PHE 78 H PHE 78 -4.132 -5.139 -5.115 622 HA PHE 78 HA PHE 78 -2.022 -5.871 -3.395 623 HB2 PHE 78 1HB PHE 78 -2.792 -3.594 -3.425 624 HB3 PHE 78 2HB PHE 78 -4.432 -4.082 -3.024 625 HD1 PHE 78 HD1 PHE 78 -1.004 -3.748 -1.699 626 HD2 PHE 78 HD2 PHE 78 -5.110 -4.382 -0.782 627 HE1 PHE 78 HE1 PHE 78 -0.525 -3.396 0.688 628 HE2 PHE 78 HE2 PHE 78 -4.636 -4.032 1.605 629 HZ PHE 78 HZ PHE 78 -2.339 -3.537 2.342 630 H VAL 79 H VAL 79 -1.937 -7.457 -1.934 631 HA VAL 79 HA VAL 79 -4.446 -8.701 -1.070 632 HB VAL 79 HB VAL 79 -1.605 -9.696 -0.748 633 HG11 VAL 79 1HG1 VAL 79 -3.057 -10.523 1.022 634 HG12 VAL 79 2HG1 VAL 79 -2.650 -11.824 -0.099 635 HG13 VAL 79 3HG1 VAL 79 -4.236 -11.056 -0.173 636 HG21 VAL 79 3HG2 VAL 79 -2.195 -11.325 -2.473 637 HG22 VAL 79 1HG2 VAL 79 -2.326 -9.675 -3.080 638 HG23 VAL 79 2HG2 VAL 79 -3.781 -10.574 -2.644 639 H GLY 80 H GLY 80 -1.287 -7.892 0.409 640 HA2 GLY 80 1HA GLY 80 -2.606 -6.548 2.598 641 HA3 GLY 80 2HA GLY 80 -1.899 -8.094 3.039 642 H PHE 81 H PHE 81 -1.207 -5.483 4.010 643 HA PHE 81 HA PHE 81 1.521 -5.153 2.968 644 HB2 PHE 81 1HB PHE 81 0.112 -3.112 3.119 645 HB3 PHE 81 2HB PHE 81 -0.051 -3.374 4.852 646 HD1 PHE 81 HD2 PHE 81 2.351 -2.566 2.163 647 HD2 PHE 81 HD1 PHE 81 1.634 -2.678 6.358 648 HE1 PHE 81 HE2 PHE 81 4.397 -1.255 2.544 649 HE2 PHE 81 HE1 PHE 81 3.679 -1.364 6.745 650 HZ PHE 81 HZ PHE 81 5.063 -0.652 4.839 651 H VAL 82 H VAL 82 3.010 -6.295 4.006 652 HA VAL 82 HA VAL 82 2.471 -7.084 6.782 653 HB VAL 82 HB VAL 82 4.392 -8.343 4.812 654 HG11 VAL 82 1HG1 VAL 82 5.082 -8.616 7.142 655 HG12 VAL 82 2HG1 VAL 82 4.554 -10.150 6.449 656 HG13 VAL 82 3HG1 VAL 82 3.491 -9.263 7.541 657 HG21 VAL 82 3HG2 VAL 82 1.686 -9.288 5.754 658 HG22 VAL 82 1HG2 VAL 82 2.786 -10.185 4.709 659 HG23 VAL 82 2HG2 VAL 82 2.067 -8.677 4.144 660 H SER 83 H SER 83 3.351 -5.568 8.062 661 HA SER 83 HA SER 83 5.903 -4.382 7.518 662 HB2 SER 83 1HB SER 83 5.497 -3.647 10.033 663 HB3 SER 83 2HB SER 83 4.568 -2.922 8.719 664 HG SER 83 HG SER 83 2.992 -3.539 10.036 665 H ARG 84 H ARG 84 7.760 -5.438 7.787 666 HA ARG 84 HA ARG 84 7.833 -7.849 9.390 667 HB2 ARG 84 1HB ARG 84 9.129 -7.033 7.075 668 HB3 ARG 84 2HB ARG 84 10.391 -6.984 8.300 669 HG2 ARG 84 1HG ARG 84 9.661 -9.335 8.928 670 HG3 ARG 84 2HG ARG 84 8.729 -9.326 7.430 671 HD2 ARG 84 1HD ARG 84 10.843 -8.776 6.214 672 HD3 ARG 84 2HD ARG 84 11.713 -9.014 7.728 673 HE ARG 84 HE ARG 84 10.748 -11.032 5.963 674 HH11 ARG 84 1HH1 ARG 84 11.417 -10.354 9.342 675 HH12 ARG 84 2HH1 ARG 84 11.579 -12.033 9.765 676 HH21 ARG 84 1HH2 ARG 84 11.014 -13.214 6.505 677 HH22 ARG 84 2HH2 ARG 84 11.382 -13.662 8.149 678 H THR 85 H THR 85 8.130 -4.703 10.088 679 HA THR 85 HA THR 85 10.452 -4.597 11.701 680 HB THR 85 HB THR 85 7.961 -2.884 11.837 681 HG1 THR 85 HG1 THR 85 9.083 -1.559 10.351 682 HG21 THR 85 3HG2 THR 85 9.465 -2.650 13.782 683 HG22 THR 85 1HG2 THR 85 9.430 -1.190 12.792 684 HG23 THR 85 2HG2 THR 85 10.801 -2.294 12.688 685 HA PRO 86 HA PRO 86 8.648 -7.024 14.989 686 HB2 PRO 86 1HB PRO 86 10.889 -7.272 16.462 687 HB3 PRO 86 2HB PRO 86 10.645 -8.172 14.960 688 HG2 PRO 86 1HG PRO 86 12.270 -5.715 15.456 689 HG3 PRO 86 2HG PRO 86 12.634 -7.113 14.430 690 HD2 PRO 86 1HD PRO 86 11.664 -4.710 13.499 691 HD3 PRO 86 2HD PRO 86 11.473 -6.261 12.660 692 H ASP 87 H ASP 87 7.987 -6.710 17.107 693 HA ASP 87 HA ASP 87 7.711 -4.087 18.072 694 HB2 ASP 87 1HB ASP 87 6.249 -6.010 18.711 695 HB3 ASP 87 2HB ASP 87 7.570 -6.643 19.688 696 H ASN 88 H ASN 88 10.023 -6.625 18.790 697 HA ASN 88 HA ASN 88 11.660 -4.634 20.218 698 HB2 ASN 88 1HB ASN 88 11.717 -7.651 20.487 699 HB3 ASN 88 2HB ASN 88 12.800 -6.537 21.311 700 HD21 ASN 88 2HD2 ASN 88 9.655 -7.919 21.207 701 HD22 ASN 88 1HD2 ASN 88 9.078 -7.254 22.695 702 H GLU 89 H GLU 89 12.857 -3.811 18.551 703 HA GLU 89 HA GLU 89 14.022 -5.446 16.526 704 HB2 GLU 89 1HB GLU 89 14.702 -2.643 17.424 705 HB3 GLU 89 2HB GLU 89 15.406 -3.429 16.018 706 HG2 GLU 89 1HG GLU 89 13.101 -3.668 15.096 707 HG3 GLU 89 2HG GLU 89 12.524 -2.685 16.443 708 H LEU 90 H LEU 90 14.780 -4.816 19.763 709 HA LEU 90 HA LEU 90 17.566 -5.296 19.727 710 HB2 LEU 90 1HB LEU 90 15.533 -5.793 21.904 711 HB3 LEU 90 2HB LEU 90 17.271 -5.884 22.123 712 HG LEU 90 HG LEU 90 15.737 -3.400 21.351 713 HD11 LEU 90 1HD1 LEU 90 15.335 -4.090 23.661 714 HD12 LEU 90 2HD1 LEU 90 16.293 -2.610 23.580 715 HD13 LEU 90 3HD1 LEU 90 17.075 -4.148 23.945 716 HD21 LEU 90 3HD2 LEU 90 17.864 -2.246 21.699 717 HD22 LEU 90 1HD2 LEU 90 17.979 -3.434 20.401 718 HD23 LEU 90 2HD2 LEU 90 18.657 -3.795 21.989 719 H GLU 91 H GLU 91 14.781 -7.344 19.460 720 HA GLU 91 HA GLU 91 16.207 -9.806 19.854 721 HB2 GLU 91 1HB GLU 91 13.559 -9.245 18.498 722 HB3 GLU 91 2HB GLU 91 14.207 -10.853 18.780 723 HG2 GLU 91 1HG GLU 91 14.152 -10.407 21.207 724 HG3 GLU 91 2HG GLU 91 13.402 -8.846 20.872 725 H HIS 92 H HIS 92 18.006 -9.751 18.542 726 HA HIS 92 HA HIS 92 17.812 -9.056 15.767 727 HB2 HIS 92 1HB HIS 92 19.882 -8.634 16.974 728 HB3 HIS 92 2HB HIS 92 20.046 -10.346 17.345 729 HD1 HIS 92 HD1 HIS 92 20.200 -7.962 14.400 730 HD2 HIS 92 HD2 HIS 92 21.338 -11.826 15.447 731 HE1 HIS 92 HE1 HIS 92 21.645 -8.781 12.515 732 HE2 HIS 92 HE2 HIS 92 22.520 -11.011 13.299 733 H HIS 93 H HIS 93 16.676 -10.327 14.495 734 HA HIS 93 HA HIS 93 16.328 -13.115 14.936 735 HB2 HIS 93 1HB HIS 93 15.675 -11.384 12.539 736 HB3 HIS 93 2HB HIS 93 15.191 -13.069 12.706 737 HD1 HIS 93 HD1 HIS 93 14.508 -9.650 14.102 738 HD2 HIS 93 HD2 HIS 93 13.001 -13.518 14.350 739 HE1 HIS 93 HE1 HIS 93 12.325 -9.448 15.326 740 HE2 HIS 93 HE2 HIS 93 11.329 -11.759 15.252 741 H HIS 94 H HIS 94 17.450 -14.789 14.214 742 HA HIS 94 HA HIS 94 20.005 -14.416 13.034 743 HB2 HIS 94 1HB HIS 94 19.362 -16.267 14.610 744 HB3 HIS 94 2HB HIS 94 18.452 -17.002 13.295 745 HD1 HIS 94 HD1 HIS 94 21.968 -16.263 14.398 746 HD2 HIS 94 HD2 HIS 94 19.967 -18.401 11.447 747 HE1 HIS 94 HE1 HIS 94 23.720 -17.677 13.278 748 HE2 HIS 94 HE2 HIS 94 22.445 -19.119 11.645 749 H HIS 95 H HIS 95 16.904 -15.599 11.821 750 HA HIS 95 HA HIS 95 17.964 -15.864 9.126 751 HB2 HIS 95 1HB HIS 95 16.335 -17.520 9.849 752 HB3 HIS 95 2HB HIS 95 15.177 -16.257 10.248 753 HD1 HIS 95 HD1 HIS 95 16.441 -18.304 7.427 754 HD2 HIS 95 HD2 HIS 95 13.936 -15.035 8.004 755 HE1 HIS 95 HE1 HIS 95 15.187 -18.012 5.264 756 HE2 HIS 95 HE2 HIS 95 13.834 -15.900 5.571 757 H HIS 96 H HIS 96 18.399 -13.955 8.204 758 HA HIS 96 HA HIS 96 16.347 -11.851 8.369 759 HB2 HIS 96 1HB HIS 96 18.616 -11.202 9.132 760 HB3 HIS 96 2HB HIS 96 19.246 -11.589 7.535 761 HD1 HIS 96 HD1 HIS 96 16.863 -9.164 9.218 762 HD2 HIS 96 HD2 HIS 96 19.081 -9.553 5.713 763 HE1 HIS 96 HE1 HIS 96 16.647 -6.960 8.024 764 HE2 HIS 96 HE2 HIS 96 18.075 -7.177 5.960 765 H HIS 97 H HIS 97 15.029 -12.868 6.829 766 HA HIS 97 HA HIS 97 15.313 -11.951 4.204 767 HB2 HIS 97 1HB HIS 97 17.022 -13.807 4.120 768 HB3 HIS 97 2HB HIS 97 15.720 -14.945 4.445 769 HD1 HIS 97 HD1 HIS 97 14.789 -15.992 2.403 770 HD2 HIS 97 HD2 HIS 97 16.380 -12.221 1.638 771 HE1 HIS 97 HE1 HIS 97 14.553 -15.642 -0.079 772 HE2 HIS 97 HE2 HIS 97 15.646 -13.417 -0.538 Start of MODEL 5 1 H1 MET 1 1H MET 1 0.599 -20.769 -13.364 2 H2 MET 1 2H MET 1 2.039 -20.120 -12.750 3 H3 MET 1 3H MET 1 1.317 -19.427 -14.118 4 HA MET 1 HA MET 1 -0.593 -18.765 -12.808 5 HB2 MET 1 1HB MET 1 1.053 -19.777 -10.477 6 HB3 MET 1 2HB MET 1 -0.473 -18.915 -10.357 7 HG2 MET 1 1HG MET 1 -1.600 -20.764 -11.494 8 HG3 MET 1 2HG MET 1 -0.067 -21.629 -11.588 9 HE1 MET 1 3HE MET 1 1.156 -20.728 -8.697 10 HE2 MET 1 1HE MET 1 1.325 -22.352 -9.362 11 HE3 MET 1 2HE MET 1 0.703 -22.129 -7.727 12 H ALA 2 H ALA 2 -0.605 -16.651 -12.005 13 HA ALA 2 HA ALA 2 1.940 -15.258 -12.147 14 HB1 ALA 2 3HB ALA 2 0.606 -13.222 -11.957 15 HB2 ALA 2 1HB ALA 2 -0.840 -14.186 -11.656 16 HB3 ALA 2 2HB ALA 2 -0.030 -14.273 -13.221 17 HA PRO 3 HA PRO 3 2.233 -15.884 -7.713 18 HB2 PRO 3 1HB PRO 3 4.773 -15.013 -7.442 19 HB3 PRO 3 2HB PRO 3 4.386 -16.599 -8.120 20 HG2 PRO 3 1HG PRO 3 5.109 -14.061 -9.527 21 HG3 PRO 3 2HG PRO 3 5.640 -15.719 -9.864 22 HD2 PRO 3 1HD PRO 3 3.671 -14.455 -11.270 23 HD3 PRO 3 2HD PRO 3 3.743 -16.215 -11.054 24 H LEU 4 H LEU 4 2.549 -14.523 -5.832 25 HA LEU 4 HA LEU 4 1.829 -11.767 -6.388 26 HB2 LEU 4 1HB LEU 4 1.065 -11.582 -4.224 27 HB3 LEU 4 2HB LEU 4 0.772 -13.273 -4.555 28 HG LEU 4 HG LEU 4 3.133 -12.220 -2.989 29 HD11 LEU 4 1HD1 LEU 4 1.959 -13.087 -1.027 30 HD12 LEU 4 2HD1 LEU 4 0.568 -13.485 -2.037 31 HD13 LEU 4 3HD1 LEU 4 1.045 -11.802 -1.816 32 HD21 LEU 4 3HD2 LEU 4 3.579 -14.360 -4.060 33 HD22 LEU 4 1HD2 LEU 4 2.095 -15.025 -3.375 34 HD23 LEU 4 2HD2 LEU 4 3.421 -14.550 -2.315 35 H GLN 5 H GLN 5 3.152 -10.063 -6.203 36 HA GLN 5 HA GLN 5 5.943 -10.625 -5.711 37 HB2 GLN 5 1HB GLN 5 4.513 -8.081 -6.484 38 HB3 GLN 5 2HB GLN 5 6.247 -8.178 -6.215 39 HG2 GLN 5 1HG GLN 5 6.313 -9.947 -8.002 40 HG3 GLN 5 2HG GLN 5 4.636 -9.535 -8.355 41 HE21 GLN 5 2HE2 GLN 5 7.026 -9.298 -10.023 42 HE22 GLN 5 1HE2 GLN 5 7.102 -7.627 -10.487 43 H GLN 6 H GLN 6 6.686 -10.701 -3.737 44 HA GLN 6 HA GLN 6 5.546 -8.917 -1.712 45 HB2 GLN 6 1HB GLN 6 7.461 -11.233 -1.345 46 HB3 GLN 6 2HB GLN 6 6.681 -10.315 -0.064 47 HG2 GLN 6 1HG GLN 6 4.481 -11.101 -0.965 48 HG3 GLN 6 2HG GLN 6 5.381 -12.167 -2.044 49 HE21 GLN 6 2HE2 GLN 6 4.394 -11.548 1.208 50 HE22 GLN 6 1HE2 GLN 6 4.930 -13.053 1.886 51 H LYS 7 H LYS 7 6.507 -7.038 -1.621 52 HA LYS 7 HA LYS 7 9.431 -6.887 -1.898 53 HB2 LYS 7 1HB LYS 7 8.546 -6.278 -4.060 54 HB3 LYS 7 2HB LYS 7 7.357 -5.211 -3.330 55 HG2 LYS 7 1HG LYS 7 9.017 -3.816 -4.224 56 HG3 LYS 7 2HG LYS 7 9.297 -3.835 -2.484 57 HD2 LYS 7 1HD LYS 7 11.412 -4.018 -3.597 58 HD3 LYS 7 2HD LYS 7 11.043 -5.569 -2.844 59 HE2 LYS 7 1HE LYS 7 10.391 -6.510 -4.942 60 HE3 LYS 7 2HE LYS 7 10.485 -4.939 -5.737 61 HZ1 LYS 7 3HZ LYS 7 12.416 -6.377 -6.184 62 HZ2 LYS 7 1HZ LYS 7 12.799 -6.359 -4.531 63 HZ3 LYS 7 2HZ LYS 7 12.848 -4.919 -5.429 64 H GLN 8 H GLN 8 10.386 -5.533 -0.451 65 HA GLN 8 HA GLN 8 8.773 -4.207 1.514 66 HB2 GLN 8 1HB GLN 8 11.755 -3.997 1.029 67 HB3 GLN 8 2HB GLN 8 10.899 -3.454 2.466 68 HG2 GLN 8 1HG GLN 8 10.196 -5.818 2.848 69 HG3 GLN 8 2HG GLN 8 11.255 -6.287 1.519 70 HE21 GLN 8 2HE2 GLN 8 11.383 -7.081 4.291 71 HE22 GLN 8 1HE2 GLN 8 12.933 -6.577 4.881 72 H VAL 9 H VAL 9 7.700 -2.437 0.994 73 HA VAL 9 HA VAL 9 8.920 -0.567 -0.932 74 HB VAL 9 HB VAL 9 6.600 0.133 -1.497 75 HG11 VAL 9 1HG1 VAL 9 7.779 -1.444 -2.922 76 HG12 VAL 9 2HG1 VAL 9 6.059 -1.833 -2.863 77 HG13 VAL 9 3HG1 VAL 9 7.214 -2.789 -1.930 78 HG21 VAL 9 3HG2 VAL 9 5.821 -2.256 0.171 79 HG22 VAL 9 1HG2 VAL 9 4.733 -1.321 -0.856 80 HG23 VAL 9 2HG2 VAL 9 5.488 -0.565 0.548 81 H VAL 10 H VAL 10 8.175 1.672 -0.737 82 HA VAL 10 HA VAL 10 7.924 2.471 2.076 83 HB VAL 10 HB VAL 10 8.517 4.232 -0.308 84 HG11 VAL 10 1HG1 VAL 10 9.366 5.795 1.382 85 HG12 VAL 10 2HG1 VAL 10 8.878 4.674 2.653 86 HG13 VAL 10 3HG1 VAL 10 7.659 5.424 1.622 87 HG21 VAL 10 3HG2 VAL 10 10.269 2.562 -0.125 88 HG22 VAL 10 1HG2 VAL 10 10.470 2.937 1.588 89 HG23 VAL 10 2HG2 VAL 10 10.869 4.146 0.366 90 H VAL 11 H VAL 11 5.882 2.875 2.733 91 HA VAL 11 HA VAL 11 3.750 3.564 0.999 92 HB VAL 11 HB VAL 11 3.959 4.198 3.953 93 HG11 VAL 11 1HG1 VAL 11 1.511 4.115 3.891 94 HG12 VAL 11 2HG1 VAL 11 1.568 3.827 2.151 95 HG13 VAL 11 3HG1 VAL 11 2.144 5.358 2.811 96 HG21 VAL 11 3HG2 VAL 11 2.940 1.704 2.594 97 HG22 VAL 11 1HG2 VAL 11 2.807 2.058 4.317 98 HG23 VAL 11 2HG2 VAL 11 4.395 1.835 3.582 99 H SER 12 H SER 12 3.917 5.301 -0.246 100 HA SER 12 HA SER 12 5.652 7.465 0.577 101 HB2 SER 12 1HB SER 12 5.936 6.447 -1.629 102 HB3 SER 12 2HB SER 12 4.286 6.887 -2.059 103 HG SER 12 HG SER 12 5.496 8.470 -2.911 104 H ASN 13 H ASN 13 2.416 7.342 -0.941 105 HA ASN 13 HA ASN 13 1.606 9.651 0.623 106 HB2 ASN 13 1HB ASN 13 2.813 10.578 -1.347 107 HB3 ASN 13 2HB ASN 13 1.686 9.739 -2.404 108 HD21 ASN 13 2HD2 ASN 13 0.967 11.615 -3.344 109 HD22 ASN 13 1HD2 ASN 13 -0.037 12.762 -2.514 110 H LYS 14 H LYS 14 -0.697 10.161 0.295 111 HA LYS 14 HA LYS 14 -2.210 7.738 -0.332 112 HB2 LYS 14 1HB LYS 14 -2.651 8.721 1.845 113 HB3 LYS 14 2HB LYS 14 -2.994 10.280 1.108 114 HG2 LYS 14 1HG LYS 14 -4.940 9.298 -0.021 115 HG3 LYS 14 2HG LYS 14 -4.601 7.761 0.771 116 HD2 LYS 14 1HD LYS 14 -6.360 8.949 1.946 117 HD3 LYS 14 2HD LYS 14 -4.923 8.822 2.957 118 HE2 LYS 14 1HE LYS 14 -5.427 11.263 1.290 119 HE3 LYS 14 2HE LYS 14 -6.201 11.066 2.860 120 HZ1 LYS 14 3HZ LYS 14 -4.260 12.267 3.283 121 HZ2 LYS 14 1HZ LYS 14 -3.308 11.303 2.259 122 HZ3 LYS 14 2HZ LYS 14 -3.863 10.681 3.734 123 H ARG 15 H ARG 15 -3.705 7.642 -1.927 124 HA ARG 15 HA ARG 15 -4.049 10.053 -3.592 125 HB2 ARG 15 1HB ARG 15 -3.827 7.175 -4.499 126 HB3 ARG 15 2HB ARG 15 -4.225 8.527 -5.546 127 HG2 ARG 15 1HG ARG 15 -1.668 8.428 -3.980 128 HG3 ARG 15 2HG ARG 15 -1.827 7.684 -5.569 129 HD2 ARG 15 1HD ARG 15 -0.873 9.879 -5.812 130 HD3 ARG 15 2HD ARG 15 -2.498 9.877 -6.488 131 HE ARG 15 HE ARG 15 -2.292 10.793 -3.744 132 HH11 ARG 15 1HH1 ARG 15 -2.258 11.679 -7.132 133 HH12 ARG 15 2HH1 ARG 15 -2.758 13.322 -6.846 134 HH21 ARG 15 1HH2 ARG 15 -2.923 12.961 -3.356 135 HH22 ARG 15 2HH2 ARG 15 -3.145 14.049 -4.693 136 H GLU 16 H GLU 16 -6.048 10.714 -3.019 137 HA GLU 16 HA GLU 16 -8.166 8.766 -2.621 138 HB2 GLU 16 1HB GLU 16 -8.267 11.785 -2.485 139 HB3 GLU 16 2HB GLU 16 -9.546 10.688 -1.990 140 HG2 GLU 16 1HG GLU 16 -8.102 9.798 -0.232 141 HG3 GLU 16 2HG GLU 16 -6.823 10.906 -0.727 142 H LYS 17 H LYS 17 -8.682 7.916 -4.613 143 HA LYS 17 HA LYS 17 -9.413 9.756 -6.754 144 HB2 LYS 17 1HB LYS 17 -9.401 6.745 -6.592 145 HB3 LYS 17 2HB LYS 17 -10.012 7.628 -7.980 146 HG2 LYS 17 1HG LYS 17 -7.771 8.652 -8.245 147 HG3 LYS 17 2HG LYS 17 -7.191 7.612 -6.939 148 HD2 LYS 17 1HD LYS 17 -7.967 5.643 -8.262 149 HD3 LYS 17 2HD LYS 17 -8.339 6.743 -9.590 150 HE2 LYS 17 1HE LYS 17 -6.155 5.649 -9.861 151 HE3 LYS 17 2HE LYS 17 -6.015 7.402 -9.735 152 HZ1 LYS 17 3HZ LYS 17 -4.392 6.019 -8.404 153 HZ2 LYS 17 1HZ LYS 17 -5.698 5.630 -7.384 154 HZ3 LYS 17 2HZ LYS 17 -5.205 7.247 -7.566 155 HA PRO 18 HA PRO 18 -13.753 9.337 -5.524 156 HB2 PRO 18 1HB PRO 18 -14.222 11.847 -6.823 157 HB3 PRO 18 2HB PRO 18 -14.246 11.513 -5.091 158 HG2 PRO 18 1HG PRO 18 -12.378 13.105 -6.367 159 HG3 PRO 18 2HG PRO 18 -12.148 12.334 -4.789 160 HD2 PRO 18 1HD PRO 18 -11.159 11.482 -7.479 161 HD3 PRO 18 2HD PRO 18 -10.357 11.380 -5.895 162 H VAL 19 H VAL 19 -14.488 7.830 -6.957 163 HA VAL 19 HA VAL 19 -14.148 8.417 -9.816 164 HB VAL 19 HB VAL 19 -14.577 5.726 -8.512 165 HG11 VAL 19 1HG1 VAL 19 -13.894 6.460 -11.359 166 HG12 VAL 19 2HG1 VAL 19 -15.426 5.798 -10.790 167 HG13 VAL 19 3HG1 VAL 19 -13.960 4.821 -10.712 168 HG21 VAL 19 3HG2 VAL 19 -12.058 6.953 -9.634 169 HG22 VAL 19 1HG2 VAL 19 -12.224 5.303 -9.032 170 HG23 VAL 19 2HG2 VAL 19 -12.401 6.668 -7.928 171 H ASN 20 H ASN 20 -15.979 9.516 -10.319 172 HA ASN 20 HA ASN 20 -18.573 8.320 -9.810 173 HB2 ASN 20 1HB ASN 20 -18.178 10.837 -9.973 174 HB3 ASN 20 2HB ASN 20 -17.936 10.602 -11.700 175 HD21 ASN 20 2HD2 ASN 20 -19.931 12.217 -10.488 176 HD22 ASN 20 1HD2 ASN 20 -21.469 11.574 -10.944 177 H ASP 21 H ASP 21 -19.343 6.725 -11.043 178 HA ASP 21 HA ASP 21 -17.886 5.718 -13.254 179 HB2 ASP 21 1HB ASP 21 -19.268 4.304 -11.763 180 HB3 ASP 21 2HB ASP 21 -20.718 5.068 -12.408 181 H ARG 22 H ARG 22 -20.368 8.046 -12.939 182 HA ARG 22 HA ARG 22 -20.544 8.279 -15.873 183 HB2 ARG 22 1HB ARG 22 -22.610 9.238 -13.877 184 HB3 ARG 22 2HB ARG 22 -22.760 9.205 -15.627 185 HG2 ARG 22 1HG ARG 22 -22.672 6.727 -15.536 186 HG3 ARG 22 2HG ARG 22 -22.679 6.836 -13.773 187 HD2 ARG 22 1HD ARG 22 -24.811 8.160 -13.978 188 HD3 ARG 22 2HD ARG 22 -24.827 7.727 -15.687 189 HE ARG 22 HE ARG 22 -24.977 5.774 -13.476 190 HH11 ARG 22 1HH1 ARG 22 -25.769 6.781 -16.733 191 HH12 ARG 22 2HH1 ARG 22 -26.828 5.438 -17.028 192 HH21 ARG 22 1HH2 ARG 22 -26.356 4.015 -13.849 193 HH22 ARG 22 2HH2 ARG 22 -27.156 3.849 -15.390 194 H ARG 23 H ARG 23 -21.676 10.839 -15.924 195 HA ARG 23 HA ARG 23 -19.535 12.505 -14.869 196 HB2 ARG 23 1HB ARG 23 -22.026 13.313 -16.385 197 HB3 ARG 23 2HB ARG 23 -20.635 14.334 -16.051 198 HG2 ARG 23 1HG ARG 23 -19.246 12.835 -17.429 199 HG3 ARG 23 2HG ARG 23 -20.694 11.902 -17.821 200 HD2 ARG 23 1HD ARG 23 -21.712 13.976 -18.733 201 HD3 ARG 23 2HD ARG 23 -20.178 14.802 -18.457 202 HE ARG 23 HE ARG 23 -20.608 12.589 -20.364 203 HH11 ARG 23 1HH1 ARG 23 -18.755 15.337 -19.223 204 HH12 ARG 23 2HH1 ARG 23 -17.755 15.415 -20.645 205 HH21 ARG 23 1HH2 ARG 23 -19.310 12.700 -22.242 206 HH22 ARG 23 2HH2 ARG 23 -18.110 13.951 -22.384 207 H SER 24 H SER 24 -20.199 14.567 -13.694 208 HA SER 24 HA SER 24 -21.952 13.972 -11.516 209 HB2 SER 24 1HB SER 24 -20.730 16.612 -12.374 210 HB3 SER 24 2HB SER 24 -21.524 16.306 -10.828 211 HG SER 24 HG SER 24 -19.629 15.688 -10.186 212 H ARG 25 H ARG 25 -23.991 13.594 -12.168 213 HA ARG 25 HA ARG 25 -25.237 14.947 -14.326 214 HB2 ARG 25 1HB ARG 25 -26.478 13.229 -12.171 215 HB3 ARG 25 2HB ARG 25 -27.241 13.686 -13.691 216 HG2 ARG 25 1HG ARG 25 -25.579 12.451 -14.939 217 HG3 ARG 25 2HG ARG 25 -24.713 12.065 -13.452 218 HD2 ARG 25 1HD ARG 25 -26.004 10.156 -14.075 219 HD3 ARG 25 2HD ARG 25 -26.754 10.883 -12.655 220 HE ARG 25 HE ARG 25 -27.797 11.537 -15.323 221 HH11 ARG 25 1HH1 ARG 25 -28.220 10.093 -12.160 222 HH12 ARG 25 2HH1 ARG 25 -29.905 9.749 -12.402 223 HH21 ARG 25 1HH2 ARG 25 -30.013 11.069 -15.651 224 HH22 ARG 25 2HH2 ARG 25 -30.931 10.307 -14.382 225 H GLN 26 H GLN 26 -26.661 16.579 -14.388 226 HA GLN 26 HA GLN 26 -26.462 18.441 -12.210 227 HB2 GLN 26 1HB GLN 26 -27.911 18.636 -14.853 228 HB3 GLN 26 2HB GLN 26 -27.655 19.970 -13.734 229 HG2 GLN 26 1HG GLN 26 -25.273 19.834 -14.040 230 HG3 GLN 26 2HG GLN 26 -25.450 18.394 -15.041 231 HE21 GLN 26 2HE2 GLN 26 -24.238 20.987 -15.628 232 HE22 GLN 26 1HE2 GLN 26 -25.049 21.566 -17.048 233 H GLN 27 H GLN 27 -28.664 16.011 -12.976 234 HA GLN 27 HA GLN 27 -31.074 17.232 -12.089 235 HB2 GLN 27 1HB GLN 27 -30.377 14.294 -12.023 236 HB3 GLN 27 2HB GLN 27 -31.988 14.995 -11.996 237 HG2 GLN 27 1HG GLN 27 -31.569 15.899 -14.268 238 HG3 GLN 27 2HG GLN 27 -30.035 15.027 -14.282 239 HE21 GLN 27 2HE2 GLN 27 -32.284 14.705 -16.051 240 HE22 GLN 27 1HE2 GLN 27 -32.817 13.061 -15.885 241 H GLU 28 H GLU 28 -28.864 14.938 -10.524 242 HA GLU 28 HA GLU 28 -30.029 15.646 -7.930 243 HB2 GLU 28 1HB GLU 28 -28.282 13.297 -8.691 244 HB3 GLU 28 2HB GLU 28 -29.013 13.568 -7.114 245 HG2 GLU 28 1HG GLU 28 -31.212 13.293 -8.016 246 HG3 GLU 28 2HG GLU 28 -30.578 13.224 -9.660 247 H VAL 29 H VAL 29 -28.960 17.162 -6.879 248 HA VAL 29 HA VAL 29 -26.085 17.472 -7.397 249 HB VAL 29 HB VAL 29 -27.933 19.547 -6.208 250 HG11 VAL 29 1HG1 VAL 29 -26.142 21.111 -6.828 251 HG12 VAL 29 2HG1 VAL 29 -25.167 19.756 -7.395 252 HG13 VAL 29 3HG1 VAL 29 -25.587 19.887 -5.687 253 HG21 VAL 29 3HG2 VAL 29 -27.950 20.616 -8.412 254 HG22 VAL 29 1HG2 VAL 29 -28.693 19.018 -8.456 255 HG23 VAL 29 2HG2 VAL 29 -27.060 19.247 -9.079 256 H SER 30 H SER 30 -25.881 15.666 -5.876 257 HA SER 30 HA SER 30 -26.043 16.513 -3.075 258 HB2 SER 30 1HB SER 30 -25.409 13.771 -4.191 259 HB3 SER 30 2HB SER 30 -25.732 14.171 -2.504 260 HG SER 30 HG SER 30 -27.834 14.439 -2.943 261 HA PRO 31 HA PRO 31 -21.614 17.342 -3.843 262 HB2 PRO 31 1HB PRO 31 -21.871 18.983 -1.428 263 HB3 PRO 31 2HB PRO 31 -21.393 19.462 -3.058 264 HG2 PRO 31 1HG PRO 31 -23.753 20.198 -1.987 265 HG3 PRO 31 2HG PRO 31 -23.563 19.867 -3.720 266 HD2 PRO 31 1HD PRO 31 -24.698 18.111 -1.569 267 HD3 PRO 31 2HD PRO 31 -25.297 18.401 -3.218 268 H ALA 32 H ALA 32 -23.339 16.075 -1.150 269 HA ALA 32 HA ALA 32 -20.882 15.322 0.244 270 HB1 ALA 32 3HB ALA 32 -22.333 14.550 2.034 271 HB2 ALA 32 1HB ALA 32 -23.755 14.871 1.042 272 HB3 ALA 32 2HB ALA 32 -22.736 16.206 1.580 273 H GLY 33 H GLY 33 -22.440 14.191 -2.325 274 HA2 GLY 33 1HA GLY 33 -22.551 11.381 -1.738 275 HA3 GLY 33 2HA GLY 33 -22.600 12.118 -3.338 276 H THR 34 H THR 34 -20.469 11.210 -0.698 277 HA THR 34 HA THR 34 -18.098 11.851 -2.172 278 HB THR 34 HB THR 34 -16.984 10.739 -0.142 279 HG1 THR 34 HG1 THR 34 -18.257 10.159 1.518 280 HG21 THR 34 3HG2 THR 34 -17.415 12.704 1.270 281 HG22 THR 34 1HG2 THR 34 -18.793 13.126 0.252 282 HG23 THR 34 2HG2 THR 34 -17.159 13.159 -0.415 283 H SER 35 H SER 35 -16.631 10.536 -3.058 284 HA SER 35 HA SER 35 -17.188 7.641 -3.115 285 HB2 SER 35 1HB SER 35 -17.713 8.849 -5.287 286 HB3 SER 35 2HB SER 35 -16.003 9.261 -5.390 287 HG SER 35 HG SER 35 -16.996 6.608 -5.199 288 H MET 36 H MET 36 -15.542 9.414 -1.434 289 HA MET 36 HA MET 36 -12.828 9.331 -2.201 290 HB2 MET 36 1HB MET 36 -13.980 9.574 0.583 291 HB3 MET 36 2HB MET 36 -12.339 9.981 0.103 292 HG2 MET 36 1HG MET 36 -13.181 11.764 -1.317 293 HG3 MET 36 2HG MET 36 -14.835 11.342 -0.882 294 HE1 MET 36 3HE MET 36 -15.728 11.461 1.689 295 HE2 MET 36 1HE MET 36 -14.749 12.095 3.013 296 HE3 MET 36 2HE MET 36 -14.304 10.575 2.238 297 H ARG 37 H ARG 37 -12.134 7.317 -2.734 298 HA ARG 37 HA ARG 37 -12.045 5.361 -0.551 299 HB2 ARG 37 1HB ARG 37 -11.716 5.076 -3.532 300 HB3 ARG 37 2HB ARG 37 -11.174 3.824 -2.419 301 HG2 ARG 37 1HG ARG 37 -13.436 3.610 -1.539 302 HG3 ARG 37 2HG ARG 37 -13.987 4.880 -2.630 303 HD2 ARG 37 1HD ARG 37 -12.705 2.333 -3.586 304 HD3 ARG 37 2HD ARG 37 -14.444 2.504 -3.356 305 HE ARG 37 HE ARG 37 -12.811 3.884 -5.366 306 HH11 ARG 37 1HH1 ARG 37 -15.954 3.142 -4.003 307 HH12 ARG 37 2HH1 ARG 37 -16.821 3.648 -5.424 308 HH21 ARG 37 1HH2 ARG 37 -13.973 4.538 -7.238 309 HH22 ARG 37 2HH2 ARG 37 -15.709 4.449 -7.242 310 H TYR 38 H TYR 38 -10.252 5.180 0.553 311 HA TYR 38 HA TYR 38 -8.068 6.928 -0.073 312 HB2 TYR 38 1HB TYR 38 -8.394 4.958 2.203 313 HB3 TYR 38 2HB TYR 38 -7.174 6.225 2.101 314 HD1 TYR 38 HD1 TYR 38 -7.771 8.553 2.449 315 HD2 TYR 38 HD2 TYR 38 -10.712 5.493 2.713 316 HE1 TYR 38 HE1 TYR 38 -9.311 10.134 3.527 317 HE2 TYR 38 HE2 TYR 38 -12.263 7.068 3.794 318 HH TYR 38 HH TYR 38 -11.729 10.425 3.820 319 H GLU 39 H GLU 39 -6.736 6.274 -1.660 320 HA GLU 39 HA GLU 39 -5.731 3.522 -1.572 321 HB2 GLU 39 1HB GLU 39 -5.457 5.634 -3.717 322 HB3 GLU 39 2HB GLU 39 -4.755 4.028 -3.794 323 HG2 GLU 39 1HG GLU 39 -7.089 3.117 -3.637 324 HG3 GLU 39 2HG GLU 39 -7.659 4.774 -3.858 325 H ALA 40 H ALA 40 -3.462 3.158 -1.691 326 HA ALA 40 HA ALA 40 -1.867 5.426 -0.694 327 HB1 ALA 40 3HB ALA 40 -0.516 3.833 0.558 328 HB2 ALA 40 1HB ALA 40 -1.511 2.503 -0.040 329 HB3 ALA 40 2HB ALA 40 -2.213 3.719 1.026 330 H SER 41 H SER 41 0.096 5.801 -1.604 331 HA SER 41 HA SER 41 0.738 4.302 -4.027 332 HB2 SER 41 1HB SER 41 2.007 6.819 -2.914 333 HB3 SER 41 2HB SER 41 2.293 6.125 -4.510 334 HG SER 41 HG SER 41 -0.339 6.469 -4.114 335 H PHE 42 H PHE 42 2.141 2.709 -3.948 336 HA PHE 42 HA PHE 42 3.992 2.579 -1.678 337 HB2 PHE 42 1HB PHE 42 3.082 0.414 -3.588 338 HB3 PHE 42 2HB PHE 42 4.205 0.178 -2.251 339 HD1 PHE 42 HD2 PHE 42 3.400 0.495 0.092 340 HD2 PHE 42 HD1 PHE 42 0.754 0.431 -3.240 341 HE1 PHE 42 HE2 PHE 42 1.509 0.069 1.606 342 HE2 PHE 42 HE1 PHE 42 -1.142 0.007 -1.731 343 HZ PHE 42 HZ PHE 42 -0.766 -0.174 0.696 344 H LYS 43 H LYS 43 5.924 3.287 -2.038 345 HA LYS 43 HA LYS 43 6.940 3.473 -4.770 346 HB2 LYS 43 1HB LYS 43 6.868 5.467 -3.269 347 HB3 LYS 43 2HB LYS 43 8.004 4.663 -2.201 348 HG2 LYS 43 1HG LYS 43 9.704 4.706 -3.919 349 HG3 LYS 43 2HG LYS 43 8.558 5.415 -5.062 350 HD2 LYS 43 1HD LYS 43 8.319 7.370 -3.615 351 HD3 LYS 43 2HD LYS 43 9.456 6.663 -2.466 352 HE2 LYS 43 1HE LYS 43 11.212 6.730 -4.163 353 HE3 LYS 43 2HE LYS 43 10.073 7.423 -5.319 354 HZ1 LYS 43 3HZ LYS 43 11.491 9.103 -4.265 355 HZ2 LYS 43 1HZ LYS 43 10.860 8.687 -2.748 356 HZ3 LYS 43 2HZ LYS 43 9.849 9.362 -3.927 357 HA PRO 44 HA PRO 44 9.341 -0.198 -3.849 358 HB2 PRO 44 1HB PRO 44 10.496 0.298 -6.510 359 HB3 PRO 44 2HB PRO 44 9.592 -1.100 -5.921 360 HG2 PRO 44 1HG PRO 44 8.529 0.635 -7.679 361 HG3 PRO 44 2HG PRO 44 7.547 -0.165 -6.438 362 HD2 PRO 44 1HD PRO 44 8.651 2.619 -6.481 363 HD3 PRO 44 2HD PRO 44 7.053 2.049 -5.952 364 H LEU 45 H LEU 45 11.276 -0.413 -2.910 365 HA LEU 45 HA LEU 45 13.047 1.766 -2.613 366 HB2 LEU 45 1HB LEU 45 13.311 -1.162 -1.964 367 HB3 LEU 45 2HB LEU 45 14.572 0.001 -1.600 368 HG LEU 45 HG LEU 45 11.754 0.128 -0.515 369 HD11 LEU 45 1HD1 LEU 45 14.317 -0.765 0.800 370 HD12 LEU 45 2HD1 LEU 45 12.953 -1.797 0.370 371 HD13 LEU 45 3HD1 LEU 45 12.762 -0.555 1.607 372 HD21 LEU 45 3HD2 LEU 45 14.236 1.702 0.171 373 HD22 LEU 45 1HD2 LEU 45 12.673 1.828 0.980 374 HD23 LEU 45 2HD2 LEU 45 12.833 2.311 -0.709 375 H ASN 46 H ASN 46 12.700 -0.461 -5.127 376 HA ASN 46 HA ASN 46 15.487 -0.293 -5.944 377 HB2 ASN 46 1HB ASN 46 13.161 -1.767 -7.199 378 HB3 ASN 46 2HB ASN 46 14.821 -1.833 -7.778 379 HD21 ASN 46 2HD2 ASN 46 16.389 -2.888 -6.507 380 HD22 ASN 46 1HD2 ASN 46 15.936 -4.048 -5.299 381 H GLY 47 H GLY 47 13.513 1.946 -5.921 382 HA2 GLY 47 1HA GLY 47 13.066 3.818 -7.180 383 HA3 GLY 47 2HA GLY 47 14.379 3.300 -8.227 384 H GLY 48 H GLY 48 10.929 3.195 -7.679 385 HA2 GLY 48 1HA GLY 48 10.528 2.567 -10.492 386 HA3 GLY 48 2HA GLY 48 9.884 1.405 -9.342 387 H LEU 49 H LEU 49 8.042 2.341 -10.864 388 HA LEU 49 HA LEU 49 6.945 4.862 -10.132 389 HB2 LEU 49 1HB LEU 49 5.727 2.511 -11.578 390 HB3 LEU 49 2HB LEU 49 4.921 4.049 -11.364 391 HG LEU 49 HG LEU 49 6.870 5.096 -12.624 392 HD11 LEU 49 1HD1 LEU 49 8.456 3.255 -12.415 393 HD12 LEU 49 2HD1 LEU 49 8.128 3.623 -14.109 394 HD13 LEU 49 3HD1 LEU 49 7.383 2.216 -13.351 395 HD21 LEU 49 3HD2 LEU 49 5.100 3.121 -14.051 396 HD22 LEU 49 1HD2 LEU 49 5.938 4.482 -14.796 397 HD23 LEU 49 2HD2 LEU 49 4.670 4.773 -13.605 398 H GLU 50 H GLU 50 5.298 5.355 -8.757 399 HA GLU 50 HA GLU 50 4.894 3.630 -6.526 400 HB2 GLU 50 1HB GLU 50 3.393 6.154 -7.252 401 HB3 GLU 50 2HB GLU 50 3.457 5.393 -5.668 402 HG2 GLU 50 1HG GLU 50 5.795 5.916 -5.459 403 HG3 GLU 50 2HG GLU 50 5.833 6.554 -7.104 404 H LYS 51 H LYS 51 3.580 1.924 -6.564 405 HA LYS 51 HA LYS 51 1.320 1.827 -8.367 406 HB2 LYS 51 1HB LYS 51 2.374 -0.120 -6.316 407 HB3 LYS 51 2HB LYS 51 0.886 -0.397 -7.211 408 HG2 LYS 51 1HG LYS 51 2.242 -0.172 -9.319 409 HG3 LYS 51 2HG LYS 51 3.681 -0.197 -8.298 410 HD2 LYS 51 1HD LYS 51 3.083 -2.385 -7.449 411 HD3 LYS 51 2HD LYS 51 1.571 -2.353 -8.356 412 HE2 LYS 51 1HE LYS 51 3.130 -3.716 -9.555 413 HE3 LYS 51 2HE LYS 51 2.908 -2.216 -10.454 414 HZ1 LYS 51 3HZ LYS 51 4.981 -1.391 -9.503 415 HZ2 LYS 51 1HZ LYS 51 5.232 -2.828 -10.364 416 HZ3 LYS 51 2HZ LYS 51 5.197 -2.854 -8.673 417 H THR 52 H THR 52 -0.822 1.919 -7.811 418 HA THR 52 HA THR 52 -1.328 3.065 -5.140 419 HB THR 52 HB THR 52 -2.949 3.570 -7.640 420 HG1 THR 52 HG1 THR 52 -0.492 4.361 -7.206 421 HG21 THR 52 3HG2 THR 52 -2.746 5.025 -4.999 422 HG22 THR 52 1HG2 THR 52 -4.112 4.065 -5.561 423 HG23 THR 52 2HG2 THR 52 -3.694 5.566 -6.384 424 H PHE 53 H PHE 53 -2.378 1.686 -3.868 425 HA PHE 53 HA PHE 53 -4.360 -0.112 -5.093 426 HB2 PHE 53 1HB PHE 53 -2.565 -0.568 -2.708 427 HB3 PHE 53 2HB PHE 53 -3.933 -1.605 -3.101 428 HD1 PHE 53 HD2 PHE 53 -3.938 -2.848 -5.267 429 HD2 PHE 53 HD1 PHE 53 -0.503 -0.795 -3.822 430 HE1 PHE 53 HE2 PHE 53 -2.521 -4.152 -6.798 431 HE2 PHE 53 HE1 PHE 53 0.919 -2.093 -5.352 432 HZ PHE 53 HZ PHE 53 -0.088 -3.775 -6.841 433 H ARG 54 H ARG 54 -6.333 -0.302 -4.192 434 HA ARG 54 HA ARG 54 -7.279 1.920 -2.678 435 HB2 ARG 54 1HB ARG 54 -8.612 -0.606 -3.657 436 HB3 ARG 54 2HB ARG 54 -9.468 0.661 -2.790 437 HG2 ARG 54 1HG ARG 54 -9.162 2.207 -4.532 438 HG3 ARG 54 2HG ARG 54 -7.941 1.201 -5.314 439 HD2 ARG 54 1HD ARG 54 -9.600 -0.455 -5.867 440 HD3 ARG 54 2HD ARG 54 -10.830 0.432 -4.969 441 HE ARG 54 HE ARG 54 -11.119 1.795 -6.776 442 HH11 ARG 54 1HH1 ARG 54 -8.029 0.169 -7.161 443 HH12 ARG 54 2HH1 ARG 54 -7.819 0.708 -8.794 444 HH21 ARG 54 1HH2 ARG 54 -10.829 2.497 -8.910 445 HH22 ARG 54 2HH2 ARG 54 -9.397 2.055 -9.786 446 H LEU 55 H LEU 55 -7.996 2.024 -0.632 447 HA LEU 55 HA LEU 55 -7.848 -0.335 1.086 448 HB2 LEU 55 1HB LEU 55 -6.404 2.272 1.581 449 HB3 LEU 55 2HB LEU 55 -6.644 1.040 2.805 450 HG LEU 55 HG LEU 55 -5.088 0.632 0.249 451 HD11 LEU 55 1HD1 LEU 55 -3.105 0.710 1.668 452 HD12 LEU 55 2HD1 LEU 55 -4.111 1.094 3.064 453 HD13 LEU 55 3HD1 LEU 55 -3.987 2.237 1.726 454 HD21 LEU 55 3HD2 LEU 55 -6.060 -1.424 1.125 455 HD22 LEU 55 1HD2 LEU 55 -5.378 -1.083 2.714 456 HD23 LEU 55 2HD2 LEU 55 -4.311 -1.415 1.350 457 H GLN 56 H GLN 56 -8.821 0.101 3.224 458 HA GLN 56 HA GLN 56 -10.995 2.067 3.038 459 HB2 GLN 56 1HB GLN 56 -10.641 -0.263 4.940 460 HB3 GLN 56 2HB GLN 56 -12.041 0.799 4.869 461 HG2 GLN 56 1HG GLN 56 -12.488 0.032 2.582 462 HG3 GLN 56 2HG GLN 56 -11.107 -1.060 2.693 463 HE21 GLN 56 2HE2 GLN 56 -13.919 -1.666 2.252 464 HE22 GLN 56 1HE2 GLN 56 -14.390 -2.731 3.527 465 H ALA 57 H ALA 57 -11.581 3.118 5.171 466 HA ALA 57 HA ALA 57 -9.486 4.705 6.093 467 HB1 ALA 57 3HB ALA 57 -11.850 5.319 6.292 468 HB2 ALA 57 1HB ALA 57 -11.009 5.458 7.835 469 HB3 ALA 57 2HB ALA 57 -12.065 4.080 7.527 470 H GLN 58 H GLN 58 -10.852 1.762 7.484 471 HA GLN 58 HA GLN 58 -9.365 1.697 9.860 472 HB2 GLN 58 1HB GLN 58 -10.461 -0.569 8.185 473 HB3 GLN 58 2HB GLN 58 -9.818 -0.759 9.810 474 HG2 GLN 58 1HG GLN 58 -11.558 0.614 10.721 475 HG3 GLN 58 2HG GLN 58 -12.151 1.003 9.108 476 HE21 GLN 58 2HE2 GLN 58 -13.483 -0.260 11.393 477 HE22 GLN 58 1HE2 GLN 58 -14.072 -1.780 10.812 478 H GLN 59 H GLN 59 -8.718 0.232 6.698 479 HA GLN 59 HA GLN 59 -6.258 -0.961 7.400 480 HB2 GLN 59 1HB GLN 59 -7.392 -0.135 4.726 481 HB3 GLN 59 2HB GLN 59 -5.906 -1.054 4.912 482 HG2 GLN 59 1HG GLN 59 -7.055 -2.917 5.800 483 HG3 GLN 59 2HG GLN 59 -8.538 -1.987 6.015 484 HE21 GLN 59 2HE2 GLN 59 -8.015 -4.477 4.513 485 HE22 GLN 59 1HE2 GLN 59 -8.540 -4.151 2.900 486 H TYR 60 H TYR 60 -7.103 2.185 6.072 487 HA TYR 60 HA TYR 60 -4.484 3.010 5.410 488 HB2 TYR 60 1HB TYR 60 -6.425 4.100 4.449 489 HB3 TYR 60 2HB TYR 60 -6.975 4.611 6.038 490 HD1 TYR 60 HD2 TYR 60 -3.989 4.963 3.808 491 HD2 TYR 60 HD1 TYR 60 -6.540 6.777 6.690 492 HE1 TYR 60 HE2 TYR 60 -2.779 7.087 3.537 493 HE2 TYR 60 HE1 TYR 60 -5.339 8.906 6.424 494 HH TYR 60 HH TYR 60 -3.159 9.721 5.674 495 H HIS 61 H HIS 61 -6.306 3.162 8.428 496 HA HIS 61 HA HIS 61 -4.140 4.716 9.624 497 HB2 HIS 61 1HB HIS 61 -6.901 4.022 10.560 498 HB3 HIS 61 2HB HIS 61 -5.680 4.584 11.700 499 HD1 HIS 61 HD1 HIS 61 -4.586 6.993 11.074 500 HD2 HIS 61 HD2 HIS 61 -8.170 6.018 9.197 501 HE1 HIS 61 HE1 HIS 61 -5.504 9.160 10.191 502 HE2 HIS 61 HE2 HIS 61 -7.554 8.511 8.879 503 H ALA 62 H ALA 62 -4.995 1.505 9.199 504 HA ALA 62 HA ALA 62 -3.382 0.564 11.428 505 HB1 ALA 62 3HB ALA 62 -5.244 -0.825 10.657 506 HB2 ALA 62 1HB ALA 62 -3.708 -1.663 10.438 507 HB3 ALA 62 2HB ALA 62 -4.517 -0.926 9.054 508 H LEU 63 H LEU 63 -2.968 1.955 8.489 509 HA LEU 63 HA LEU 63 -0.287 0.841 8.052 510 HB2 LEU 63 1HB LEU 63 -1.857 0.673 6.153 511 HB3 LEU 63 2HB LEU 63 -2.105 2.407 6.205 512 HG LEU 63 HG LEU 63 0.308 2.713 5.642 513 HD11 LEU 63 1HD1 LEU 63 1.542 0.804 4.768 514 HD12 LEU 63 2HD1 LEU 63 0.209 -0.265 5.208 515 HD13 LEU 63 3HD1 LEU 63 1.122 0.570 6.464 516 HD21 LEU 63 3HD2 LEU 63 0.057 2.105 3.286 517 HD22 LEU 63 1HD2 LEU 63 -1.415 2.836 3.924 518 HD23 LEU 63 2HD2 LEU 63 -1.326 1.090 3.695 519 H THR 64 H THR 64 1.451 2.327 7.829 520 HA THR 64 HA THR 64 0.813 5.084 8.638 521 HB THR 64 HB THR 64 3.340 3.593 9.362 522 HG1 THR 64 HG1 THR 64 1.857 2.625 10.622 523 HG21 THR 64 3HG2 THR 64 3.674 5.440 10.935 524 HG22 THR 64 1HG2 THR 64 2.183 6.196 10.373 525 HG23 THR 64 2HG2 THR 64 3.558 6.038 9.280 526 H VAL 65 H VAL 65 1.429 6.590 7.200 527 HA VAL 65 HA VAL 65 2.899 5.946 4.867 528 HB VAL 65 HB VAL 65 2.155 8.611 6.078 529 HG11 VAL 65 1HG1 VAL 65 2.861 9.647 3.973 530 HG12 VAL 65 2HG1 VAL 65 3.490 8.095 3.419 531 HG13 VAL 65 3HG1 VAL 65 4.224 8.900 4.807 532 HG21 VAL 65 3HG2 VAL 65 0.589 8.700 4.196 533 HG22 VAL 65 1HG2 VAL 65 0.316 7.266 5.189 534 HG23 VAL 65 2HG2 VAL 65 1.162 7.124 3.647 535 H GLY 66 H GLY 66 4.978 5.600 4.686 536 HA2 GLY 66 1HA GLY 66 7.271 6.304 5.022 537 HA3 GLY 66 2HA GLY 66 6.811 6.841 6.634 538 H ASP 67 H ASP 67 5.117 4.228 6.654 539 HA ASP 67 HA ASP 67 7.116 2.665 7.996 540 HB2 ASP 67 1HB ASP 67 4.801 2.690 8.811 541 HB3 ASP 67 2HB ASP 67 4.254 1.958 7.307 542 H GLN 68 H GLN 68 8.626 2.115 6.547 543 HA GLN 68 HA GLN 68 8.026 0.823 4.061 544 HB2 GLN 68 1HB GLN 68 10.636 1.018 5.576 545 HB3 GLN 68 2HB GLN 68 10.452 0.539 3.894 546 HG2 GLN 68 1HG GLN 68 9.773 2.713 3.253 547 HG3 GLN 68 2HG GLN 68 9.580 3.221 4.930 548 HE21 GLN 68 2HE2 GLN 68 11.197 4.376 2.793 549 HE22 GLN 68 1HE2 GLN 68 12.821 4.404 3.392 550 H GLY 69 H GLY 69 7.478 -1.235 3.835 551 HA2 GLY 69 1HA GLY 69 8.682 -3.308 5.434 552 HA3 GLY 69 2HA GLY 69 6.990 -3.021 5.817 553 H THR 70 H THR 70 6.955 -5.343 5.103 554 HA THR 70 HA THR 70 7.392 -5.915 2.331 555 HB THR 70 HB THR 70 5.942 -7.607 4.373 556 HG1 THR 70 HG1 THR 70 8.062 -7.075 5.082 557 HG21 THR 70 3HG2 THR 70 7.379 -8.340 1.817 558 HG22 THR 70 1HG2 THR 70 5.630 -8.328 2.051 559 HG23 THR 70 2HG2 THR 70 6.632 -9.474 2.943 560 H LEU 71 H LEU 71 6.015 -5.712 0.712 561 HA LEU 71 HA LEU 71 3.134 -5.548 1.310 562 HB2 LEU 71 1HB LEU 71 3.941 -3.471 0.350 563 HB3 LEU 71 2HB LEU 71 4.732 -4.338 -0.953 564 HG LEU 71 HG LEU 71 2.472 -5.088 -1.735 565 HD11 LEU 71 1HD1 LEU 71 0.511 -3.899 -0.926 566 HD12 LEU 71 2HD1 LEU 71 1.497 -3.066 0.274 567 HD13 LEU 71 3HD1 LEU 71 1.276 -4.813 0.374 568 HD21 LEU 71 3HD2 LEU 71 1.884 -2.938 -2.746 569 HD22 LEU 71 1HD2 LEU 71 3.624 -3.228 -2.795 570 HD23 LEU 71 2HD2 LEU 71 2.948 -2.114 -1.605 571 H SER 72 H SER 72 1.924 -7.135 0.523 572 HA SER 72 HA SER 72 3.109 -8.872 -1.536 573 HB2 SER 72 1HB SER 72 1.187 -9.657 0.670 574 HB3 SER 72 2HB SER 72 1.920 -10.742 -0.512 575 HG SER 72 HG SER 72 3.626 -9.152 1.016 576 H TYR 73 H TYR 73 2.102 -8.721 -3.415 577 HA TYR 73 HA TYR 73 -0.807 -8.604 -3.444 578 HB2 TYR 73 1HB TYR 73 -0.904 -6.760 -5.032 579 HB3 TYR 73 2HB TYR 73 -0.120 -6.247 -3.546 580 HD1 TYR 73 HD2 TYR 73 2.461 -6.151 -3.554 581 HD2 TYR 73 HD1 TYR 73 0.112 -6.426 -7.091 582 HE1 TYR 73 HE2 TYR 73 4.346 -5.275 -4.870 583 HE2 TYR 73 HE1 TYR 73 1.987 -5.550 -8.412 584 HH TYR 73 HH TYR 73 5.064 -5.487 -7.435 585 H LYS 74 H LYS 74 -1.713 -9.669 -5.106 586 HA LYS 74 HA LYS 74 0.173 -11.221 -6.730 587 HB2 LYS 74 1HB LYS 74 -1.453 -12.318 -5.078 588 HB3 LYS 74 2HB LYS 74 -2.718 -11.886 -6.218 589 HG2 LYS 74 1HG LYS 74 -1.781 -13.285 -7.903 590 HG3 LYS 74 2HG LYS 74 -0.329 -13.566 -6.936 591 HD2 LYS 74 1HD LYS 74 -1.773 -14.624 -5.201 592 HD3 LYS 74 2HD LYS 74 -3.138 -14.469 -6.306 593 HE2 LYS 74 1HE LYS 74 -0.598 -15.979 -6.898 594 HE3 LYS 74 2HE LYS 74 -2.098 -16.715 -6.333 595 HZ1 LYS 74 3HZ LYS 74 -1.977 -16.930 -8.691 596 HZ2 LYS 74 1HZ LYS 74 -1.674 -15.278 -8.897 597 HZ3 LYS 74 2HZ LYS 74 -3.186 -15.801 -8.339 598 H GLY 75 H GLY 75 0.425 -10.387 -8.688 599 HA2 GLY 75 1HA GLY 75 -0.127 -9.582 -10.783 600 HA3 GLY 75 2HA GLY 75 -1.822 -9.865 -10.396 601 H THR 76 H THR 76 -3.032 -8.109 -10.267 602 HA THR 76 HA THR 76 -1.757 -5.608 -9.360 603 HB THR 76 HB THR 76 -4.289 -5.690 -10.993 604 HG1 THR 76 HG1 THR 76 -2.450 -5.099 -12.682 605 HG21 THR 76 3HG2 THR 76 -3.684 -3.577 -9.904 606 HG22 THR 76 1HG2 THR 76 -3.555 -3.444 -11.657 607 HG23 THR 76 2HG2 THR 76 -2.100 -3.627 -10.677 608 H ARG 77 H ARG 77 -3.230 -7.953 -8.000 609 HA ARG 77 HA ARG 77 -5.397 -6.418 -6.740 610 HB2 ARG 77 1HB ARG 77 -6.007 -8.601 -7.758 611 HB3 ARG 77 2HB ARG 77 -4.901 -9.399 -6.648 612 HG2 ARG 77 1HG ARG 77 -6.236 -8.560 -4.755 613 HG3 ARG 77 2HG ARG 77 -7.370 -7.842 -5.901 614 HD2 ARG 77 1HD ARG 77 -7.776 -10.088 -6.846 615 HD3 ARG 77 2HD ARG 77 -6.713 -10.771 -5.617 616 HE ARG 77 HE ARG 77 -9.017 -9.212 -4.719 617 HH11 ARG 77 1HH1 ARG 77 -7.451 -12.318 -5.100 618 HH12 ARG 77 2HH1 ARG 77 -8.586 -13.163 -4.091 619 HH21 ARG 77 1HH2 ARG 77 -10.501 -10.314 -3.367 620 HH22 ARG 77 2HH2 ARG 77 -10.309 -12.020 -3.087 621 H PHE 78 H PHE 78 -5.146 -5.696 -4.751 622 HA PHE 78 HA PHE 78 -2.744 -6.075 -3.287 623 HB2 PHE 78 1HB PHE 78 -4.032 -3.994 -3.171 624 HB3 PHE 78 2HB PHE 78 -5.393 -4.857 -2.465 625 HD1 PHE 78 HD1 PHE 78 -1.939 -3.714 -1.866 626 HD2 PHE 78 HD2 PHE 78 -5.488 -5.314 -0.148 627 HE1 PHE 78 HE1 PHE 78 -1.059 -3.247 0.384 628 HE2 PHE 78 HE2 PHE 78 -4.613 -4.851 2.103 629 HZ PHE 78 HZ PHE 78 -2.395 -3.816 2.371 630 H VAL 79 H VAL 79 -2.221 -7.702 -1.962 631 HA VAL 79 HA VAL 79 -4.336 -9.491 -1.020 632 HB VAL 79 HB VAL 79 -1.330 -9.826 -0.918 633 HG11 VAL 79 1HG1 VAL 79 -2.411 -11.012 0.909 634 HG12 VAL 79 2HG1 VAL 79 -1.804 -12.150 -0.294 635 HG13 VAL 79 3HG1 VAL 79 -3.526 -11.774 -0.225 636 HG21 VAL 79 3HG2 VAL 79 -3.391 -11.107 -2.710 637 HG22 VAL 79 1HG2 VAL 79 -1.677 -11.522 -2.659 638 HG23 VAL 79 2HG2 VAL 79 -2.182 -9.918 -3.193 639 H GLY 80 H GLY 80 -1.384 -7.984 0.336 640 HA2 GLY 80 1HA GLY 80 -2.739 -6.842 2.533 641 HA3 GLY 80 2HA GLY 80 -2.043 -8.381 3.018 642 H PHE 81 H PHE 81 -1.338 -5.882 4.102 643 HA PHE 81 HA PHE 81 1.426 -5.581 3.122 644 HB2 PHE 81 1HB PHE 81 -0.035 -3.519 3.135 645 HB3 PHE 81 2HB PHE 81 -0.106 -3.657 4.888 646 HD1 PHE 81 HD1 PHE 81 1.840 -3.156 6.256 647 HD2 PHE 81 HD2 PHE 81 1.985 -2.810 2.018 648 HE1 PHE 81 HE1 PHE 81 3.925 -1.861 6.435 649 HE2 PHE 81 HE2 PHE 81 4.068 -1.516 2.190 650 HZ PHE 81 HZ PHE 81 5.042 -1.041 4.401 651 H VAL 82 H VAL 82 3.070 -6.100 4.452 652 HA VAL 82 HA VAL 82 2.350 -6.977 7.173 653 HB VAL 82 HB VAL 82 4.503 -8.168 5.412 654 HG11 VAL 82 1HG1 VAL 82 5.011 -8.330 7.785 655 HG12 VAL 82 2HG1 VAL 82 4.609 -9.917 7.127 656 HG13 VAL 82 3HG1 VAL 82 3.424 -9.036 8.092 657 HG21 VAL 82 3HG2 VAL 82 3.037 -10.133 5.257 658 HG22 VAL 82 1HG2 VAL 82 2.305 -8.705 4.527 659 HG23 VAL 82 2HG2 VAL 82 1.777 -9.249 6.118 660 H SER 83 H SER 83 2.974 -5.193 8.288 661 HA SER 83 HA SER 83 5.422 -3.815 7.842 662 HB2 SER 83 1HB SER 83 3.624 -3.818 10.280 663 HB3 SER 83 2HB SER 83 4.876 -2.631 9.920 664 HG SER 83 HG SER 83 3.600 -1.675 8.543 665 H ARG 84 H ARG 84 6.979 -3.522 9.755 666 HA ARG 84 HA ARG 84 8.331 -5.876 10.355 667 HB2 ARG 84 1HB ARG 84 9.352 -3.658 10.522 668 HB3 ARG 84 2HB ARG 84 8.306 -3.265 11.879 669 HG2 ARG 84 1HG ARG 84 9.368 -4.990 13.220 670 HG3 ARG 84 2HG ARG 84 10.398 -5.428 11.854 671 HD2 ARG 84 1HD ARG 84 11.360 -3.181 11.863 672 HD3 ARG 84 2HD ARG 84 10.332 -2.747 13.228 673 HE ARG 84 HE ARG 84 11.688 -4.935 14.108 674 HH11 ARG 84 1HH1 ARG 84 12.661 -1.883 12.685 675 HH12 ARG 84 2HH1 ARG 84 14.148 -1.794 13.579 676 HH21 ARG 84 1HH2 ARG 84 13.667 -4.822 15.278 677 HH22 ARG 84 2HH2 ARG 84 14.727 -3.468 15.026 678 H THR 85 H THR 85 6.121 -4.007 12.384 679 HA THR 85 HA THR 85 5.194 -6.499 13.581 680 HB THR 85 HB THR 85 6.016 -4.128 15.280 681 HG1 THR 85 HG1 THR 85 7.406 -6.254 14.371 682 HG21 THR 85 3HG2 THR 85 5.464 -5.587 17.174 683 HG22 THR 85 1HG2 THR 85 4.916 -6.836 16.056 684 HG23 THR 85 2HG2 THR 85 4.051 -5.303 16.158 685 HA PRO 86 HA PRO 86 1.682 -3.947 12.368 686 HB2 PRO 86 1HB PRO 86 -0.029 -5.969 11.939 687 HB3 PRO 86 2HB PRO 86 1.272 -5.593 10.802 688 HG2 PRO 86 1HG PRO 86 1.146 -7.722 12.900 689 HG3 PRO 86 2HG PRO 86 1.752 -7.823 11.237 690 HD2 PRO 86 1HD PRO 86 3.362 -7.516 13.433 691 HD3 PRO 86 2HD PRO 86 3.797 -6.966 11.802 692 H ASP 87 H ASP 87 -0.801 -4.309 12.983 693 HA ASP 87 HA ASP 87 -0.916 -4.045 15.850 694 HB2 ASP 87 1HB ASP 87 -2.239 -2.522 14.543 695 HB3 ASP 87 2HB ASP 87 -3.021 -3.847 13.688 696 H ASN 88 H ASN 88 -2.510 -5.192 17.161 697 HA ASN 88 HA ASN 88 -2.282 -8.047 16.656 698 HB2 ASN 88 1HB ASN 88 -3.154 -6.443 19.059 699 HB3 ASN 88 2HB ASN 88 -3.274 -8.198 19.002 700 HD21 ASN 88 2HD2 ASN 88 -1.121 -5.472 19.148 701 HD22 ASN 88 1HD2 ASN 88 0.304 -6.364 19.557 702 H GLU 89 H GLU 89 -4.494 -5.669 16.004 703 HA GLU 89 HA GLU 89 -6.515 -5.722 15.004 704 HB2 GLU 89 1HB GLU 89 -6.344 -8.713 15.348 705 HB3 GLU 89 2HB GLU 89 -7.613 -7.879 14.460 706 HG2 GLU 89 1HG GLU 89 -5.985 -7.023 12.883 707 HG3 GLU 89 2HG GLU 89 -4.678 -7.773 13.796 708 H LEU 90 H LEU 90 -6.422 -8.003 17.707 709 HA LEU 90 HA LEU 90 -9.047 -7.187 18.605 710 HB2 LEU 90 1HB LEU 90 -6.973 -9.030 19.798 711 HB3 LEU 90 2HB LEU 90 -8.496 -8.670 20.582 712 HG LEU 90 HG LEU 90 -8.749 -10.776 19.539 713 HD11 LEU 90 1HD1 LEU 90 -10.670 -9.318 19.306 714 HD12 LEU 90 2HD1 LEU 90 -10.526 -10.389 17.912 715 HD13 LEU 90 3HD1 LEU 90 -10.037 -8.700 17.780 716 HD21 LEU 90 3HD2 LEU 90 -7.722 -9.535 16.991 717 HD22 LEU 90 1HD2 LEU 90 -8.324 -11.184 17.168 718 HD23 LEU 90 2HD2 LEU 90 -6.858 -10.684 18.013 719 H GLU 91 H GLU 91 -9.301 -5.308 19.601 720 HA GLU 91 HA GLU 91 -7.214 -3.740 20.626 721 HB2 GLU 91 1HB GLU 91 -10.186 -3.614 21.126 722 HB3 GLU 91 2HB GLU 91 -9.051 -2.390 21.673 723 HG2 GLU 91 1HG GLU 91 -8.479 -1.830 19.414 724 HG3 GLU 91 2HG GLU 91 -9.457 -3.165 18.796 725 H HIS 92 H HIS 92 -5.975 -4.516 22.233 726 HA HIS 92 HA HIS 92 -7.152 -5.647 24.620 727 HB2 HIS 92 1HB HIS 92 -4.300 -4.823 23.999 728 HB3 HIS 92 2HB HIS 92 -4.810 -5.610 25.490 729 HD1 HIS 92 HD1 HIS 92 -2.839 -6.684 23.095 730 HD2 HIS 92 HD2 HIS 92 -6.693 -7.940 24.053 731 HE1 HIS 92 HE1 HIS 92 -3.056 -9.011 22.154 732 HE2 HIS 92 HE2 HIS 92 -5.451 -9.679 22.596 733 H HIS 93 H HIS 93 -8.269 -4.301 25.863 734 HA HIS 93 HA HIS 93 -8.135 -1.505 25.525 735 HB2 HIS 93 1HB HIS 93 -10.124 -2.969 26.254 736 HB3 HIS 93 2HB HIS 93 -9.461 -2.821 27.878 737 HD1 HIS 93 HD1 HIS 93 -9.919 -0.679 29.126 738 HD2 HIS 93 HD2 HIS 93 -10.979 -0.475 25.108 739 HE1 HIS 93 HE1 HIS 93 -11.178 1.485 28.861 740 HE2 HIS 93 HE2 HIS 93 -11.636 1.676 26.387 741 H HIS 94 H HIS 94 -6.250 -3.540 27.483 742 HA HIS 94 HA HIS 94 -5.650 -1.716 29.578 743 HB2 HIS 94 1HB HIS 94 -4.214 -4.103 28.445 744 HB3 HIS 94 2HB HIS 94 -3.455 -3.094 29.671 745 HD1 HIS 94 HD1 HIS 94 -3.901 -3.763 32.009 746 HD2 HIS 94 HD2 HIS 94 -6.850 -5.137 29.415 747 HE1 HIS 94 HE1 HIS 94 -5.425 -5.197 33.406 748 HE2 HIS 94 HE2 HIS 94 -7.307 -5.848 31.858 749 H HIS 95 H HIS 95 -4.769 -1.892 26.268 750 HA HIS 95 HA HIS 95 -2.978 0.418 26.653 751 HB2 HIS 95 1HB HIS 95 -2.797 -1.809 24.621 752 HB3 HIS 95 2HB HIS 95 -1.963 -0.273 24.416 753 HD1 HIS 95 HD1 HIS 95 0.151 0.116 25.771 754 HD2 HIS 95 HD2 HIS 95 -1.788 -3.442 26.712 755 HE1 HIS 95 HE1 HIS 95 1.750 -1.167 27.224 756 HE2 HIS 95 HE2 HIS 95 0.641 -3.398 27.603 757 H HIS 96 H HIS 96 -3.616 2.247 25.658 758 HA HIS 96 HA HIS 96 -6.087 2.018 24.091 759 HB2 HIS 96 1HB HIS 96 -6.103 3.397 26.181 760 HB3 HIS 96 2HB HIS 96 -4.955 4.489 25.411 761 HD1 HIS 96 HD1 HIS 96 -8.542 3.408 25.288 762 HD2 HIS 96 HD2 HIS 96 -6.051 6.224 23.511 763 HE1 HIS 96 HE1 HIS 96 -10.068 4.972 24.049 764 HE2 HIS 96 HE2 HIS 96 -8.557 6.766 23.133 765 H HIS 97 H HIS 97 -6.069 2.372 22.006 766 HA HIS 97 HA HIS 97 -4.079 4.232 20.897 767 HB2 HIS 97 1HB HIS 97 -4.830 1.500 19.951 768 HB3 HIS 97 2HB HIS 97 -4.458 2.728 18.746 769 HD1 HIS 97 HD1 HIS 97 -2.053 3.124 18.245 770 HD2 HIS 97 HD2 HIS 97 -2.607 1.001 21.787 771 HE1 HIS 97 HE1 HIS 97 0.250 2.435 18.999 772 HE2 HIS 97 HE2 HIS 97 -0.095 1.210 21.175 Start of MODEL 6 1 H1 MET 1 1H MET 1 10.192 -19.592 -1.318 2 H2 MET 1 2H MET 1 10.302 -17.922 -1.058 3 H3 MET 1 3H MET 1 11.543 -18.734 -1.880 4 HA MET 1 HA MET 1 10.068 -17.444 -3.349 5 HB2 MET 1 1HB MET 1 11.335 -19.436 -4.150 6 HB3 MET 1 2HB MET 1 9.945 -20.442 -3.762 7 HG2 MET 1 1HG MET 1 8.601 -19.105 -5.362 8 HG3 MET 1 2HG MET 1 10.071 -18.242 -5.811 9 HE1 MET 1 3HE MET 1 9.524 -22.069 -4.965 10 HE2 MET 1 1HE MET 1 9.309 -22.728 -6.588 11 HE3 MET 1 2HE MET 1 8.111 -21.620 -5.920 12 H ALA 2 H ALA 2 8.066 -16.709 -3.609 13 HA ALA 2 HA ALA 2 5.820 -18.451 -2.857 14 HB1 ALA 2 3HB ALA 2 4.718 -16.604 -1.700 15 HB2 ALA 2 1HB ALA 2 6.119 -15.574 -1.995 16 HB3 ALA 2 2HB ALA 2 6.268 -16.986 -0.949 17 HA PRO 3 HA PRO 3 4.152 -17.066 -6.783 18 HB2 PRO 3 1HB PRO 3 1.590 -17.741 -5.437 19 HB3 PRO 3 2HB PRO 3 2.226 -18.298 -6.989 20 HG2 PRO 3 1HG PRO 3 2.200 -19.918 -4.879 21 HG3 PRO 3 2HG PRO 3 3.568 -19.918 -6.008 22 HD2 PRO 3 1HD PRO 3 3.350 -18.684 -3.290 23 HD3 PRO 3 2HD PRO 3 4.721 -19.531 -4.038 24 H LEU 4 H LEU 4 2.754 -16.173 -3.668 25 HA LEU 4 HA LEU 4 1.545 -13.755 -4.527 26 HB2 LEU 4 1HB LEU 4 1.071 -14.994 -2.378 27 HB3 LEU 4 2HB LEU 4 2.614 -14.417 -1.782 28 HG LEU 4 HG LEU 4 1.823 -12.096 -1.980 29 HD11 LEU 4 1HD1 LEU 4 0.246 -12.408 -3.811 30 HD12 LEU 4 2HD1 LEU 4 -0.539 -11.659 -2.421 31 HD13 LEU 4 3HD1 LEU 4 -0.795 -13.370 -2.762 32 HD21 LEU 4 3HD2 LEU 4 1.565 -13.281 0.131 33 HD22 LEU 4 1HD2 LEU 4 0.006 -13.913 -0.398 34 HD23 LEU 4 2HD2 LEU 4 0.213 -12.181 -0.135 35 H GLN 5 H GLN 5 2.514 -11.891 -5.064 36 HA GLN 5 HA GLN 5 5.392 -11.812 -5.015 37 HB2 GLN 5 1HB GLN 5 3.362 -9.841 -6.081 38 HB3 GLN 5 2HB GLN 5 5.103 -9.720 -6.314 39 HG2 GLN 5 1HG GLN 5 5.123 -11.775 -7.570 40 HG3 GLN 5 2HG GLN 5 3.410 -12.026 -7.251 41 HE21 GLN 5 2HE2 GLN 5 4.854 -11.817 -9.772 42 HE22 GLN 5 1HE2 GLN 5 4.102 -10.518 -10.645 43 H GLN 6 H GLN 6 6.419 -11.193 -3.286 44 HA GLN 6 HA GLN 6 5.267 -9.073 -1.609 45 HB2 GLN 6 1HB GLN 6 7.159 -11.315 -0.880 46 HB3 GLN 6 2HB GLN 6 6.698 -10.016 0.210 47 HG2 GLN 6 1HG GLN 6 4.359 -10.723 0.054 48 HG3 GLN 6 2HG GLN 6 4.838 -12.038 -1.017 49 HE21 GLN 6 2HE2 GLN 6 3.543 -12.050 1.619 50 HE22 GLN 6 1HE2 GLN 6 4.534 -13.057 2.615 51 H LYS 7 H LYS 7 6.169 -7.207 -2.046 52 HA LYS 7 HA LYS 7 9.091 -7.096 -2.416 53 HB2 LYS 7 1HB LYS 7 7.540 -6.736 -4.499 54 HB3 LYS 7 2HB LYS 7 7.223 -5.168 -3.776 55 HG2 LYS 7 1HG LYS 7 9.997 -6.143 -4.396 56 HG3 LYS 7 2HG LYS 7 9.011 -5.247 -5.549 57 HD2 LYS 7 1HD LYS 7 8.882 -3.372 -4.005 58 HD3 LYS 7 2HD LYS 7 9.812 -4.276 -2.808 59 HE2 LYS 7 1HE LYS 7 10.767 -3.376 -5.523 60 HE3 LYS 7 2HE LYS 7 11.239 -2.693 -3.968 61 HZ1 LYS 7 3HZ LYS 7 11.954 -5.311 -5.130 62 HZ2 LYS 7 1HZ LYS 7 12.031 -5.059 -3.450 63 HZ3 LYS 7 2HZ LYS 7 12.967 -4.112 -4.497 64 H GLN 8 H GLN 8 10.115 -5.597 -1.154 65 HA GLN 8 HA GLN 8 8.527 -4.266 0.847 66 HB2 GLN 8 1HB GLN 8 11.506 -4.315 0.360 67 HB3 GLN 8 2HB GLN 8 10.745 -3.474 1.703 68 HG2 GLN 8 1HG GLN 8 9.778 -5.642 2.433 69 HG3 GLN 8 2HG GLN 8 10.712 -6.433 1.164 70 HE21 GLN 8 2HE2 GLN 8 10.818 -6.745 4.066 71 HE22 GLN 8 1HE2 GLN 8 12.453 -6.415 4.516 72 H VAL 9 H VAL 9 7.789 -2.283 0.780 73 HA VAL 9 HA VAL 9 8.979 -0.361 -1.097 74 HB VAL 9 HB VAL 9 6.654 0.418 -1.666 75 HG11 VAL 9 1HG1 VAL 9 6.247 -1.338 -3.333 76 HG12 VAL 9 2HG1 VAL 9 7.382 -2.393 -2.490 77 HG13 VAL 9 3HG1 VAL 9 7.954 -0.904 -3.244 78 HG21 VAL 9 3HG2 VAL 9 4.808 -1.165 -1.353 79 HG22 VAL 9 1HG2 VAL 9 5.464 -0.611 0.188 80 HG23 VAL 9 2HG2 VAL 9 5.874 -2.216 -0.419 81 H VAL 10 H VAL 10 8.043 1.861 -0.743 82 HA VAL 10 HA VAL 10 7.794 2.390 2.141 83 HB VAL 10 HB VAL 10 8.198 4.506 0.045 84 HG11 VAL 10 1HG1 VAL 10 8.993 4.319 2.945 85 HG12 VAL 10 2HG1 VAL 10 7.641 5.240 2.285 86 HG13 VAL 10 3HG1 VAL 10 9.298 5.693 1.882 87 HG21 VAL 10 3HG2 VAL 10 10.350 2.781 1.248 88 HG22 VAL 10 1HG2 VAL 10 10.653 4.319 0.444 89 HG23 VAL 10 2HG2 VAL 10 9.954 2.974 -0.456 90 H VAL 11 H VAL 11 5.930 3.294 2.942 91 HA VAL 11 HA VAL 11 3.744 3.791 1.090 92 HB VAL 11 HB VAL 11 3.768 4.092 4.101 93 HG11 VAL 11 1HG1 VAL 11 1.485 3.887 2.138 94 HG12 VAL 11 2HG1 VAL 11 1.972 5.333 3.021 95 HG13 VAL 11 3HG1 VAL 11 1.327 3.942 3.894 96 HG21 VAL 11 3HG2 VAL 11 2.906 1.755 2.402 97 HG22 VAL 11 1HG2 VAL 11 2.672 1.895 4.145 98 HG23 VAL 11 2HG2 VAL 11 4.302 1.807 3.478 99 H SER 12 H SER 12 4.013 5.664 0.019 100 HA SER 12 HA SER 12 5.395 7.882 1.162 101 HB2 SER 12 1HB SER 12 3.789 7.733 -1.398 102 HB3 SER 12 2HB SER 12 4.951 8.989 -0.973 103 HG SER 12 HG SER 12 5.774 7.290 -2.373 104 H ASN 13 H ASN 13 2.049 7.599 -0.055 105 HA ASN 13 HA ASN 13 0.972 9.123 2.100 106 HB2 ASN 13 1HB ASN 13 0.244 11.074 0.747 107 HB3 ASN 13 2HB ASN 13 1.992 10.990 0.918 108 HD21 ASN 13 2HD2 ASN 13 -0.696 10.720 -1.266 109 HD22 ASN 13 1HD2 ASN 13 0.237 10.709 -2.723 110 H LYS 14 H LYS 14 -1.371 9.778 1.531 111 HA LYS 14 HA LYS 14 -2.592 7.522 0.141 112 HB2 LYS 14 1HB LYS 14 -4.649 8.135 1.199 113 HB3 LYS 14 2HB LYS 14 -3.390 8.210 2.422 114 HG2 LYS 14 1HG LYS 14 -3.363 10.583 2.375 115 HG3 LYS 14 2HG LYS 14 -4.376 10.629 0.931 116 HD2 LYS 14 1HD LYS 14 -6.203 9.578 2.234 117 HD3 LYS 14 2HD LYS 14 -5.188 9.670 3.673 118 HE2 LYS 14 1HE LYS 14 -6.794 11.514 3.578 119 HE3 LYS 14 2HE LYS 14 -5.132 12.093 3.508 120 HZ1 LYS 14 3HZ LYS 14 -5.328 12.626 1.273 121 HZ2 LYS 14 1HZ LYS 14 -6.828 13.094 1.906 122 HZ3 LYS 14 2HZ LYS 14 -6.693 11.645 1.030 123 H ARG 15 H ARG 15 -4.361 7.888 -1.340 124 HA ARG 15 HA ARG 15 -4.722 10.550 -2.427 125 HB2 ARG 15 1HB ARG 15 -3.306 8.390 -3.883 126 HB3 ARG 15 2HB ARG 15 -4.528 9.265 -4.792 127 HG2 ARG 15 1HG ARG 15 -3.368 11.385 -4.151 128 HG3 ARG 15 2HG ARG 15 -2.076 10.394 -3.468 129 HD2 ARG 15 1HD ARG 15 -1.606 9.420 -5.602 130 HD3 ARG 15 2HD ARG 15 -3.023 10.183 -6.319 131 HE ARG 15 HE ARG 15 -0.941 11.924 -5.223 132 HH11 ARG 15 1HH1 ARG 15 -2.571 10.568 -8.009 133 HH12 ARG 15 2HH1 ARG 15 -1.887 11.701 -9.128 134 HH21 ARG 15 1HH2 ARG 15 -0.007 13.400 -6.706 135 HH22 ARG 15 2HH2 ARG 15 -0.422 13.300 -8.394 136 H GLU 16 H GLU 16 -6.728 10.827 -3.304 137 HA GLU 16 HA GLU 16 -8.440 8.439 -3.450 138 HB2 GLU 16 1HB GLU 16 -9.266 11.338 -3.150 139 HB3 GLU 16 2HB GLU 16 -10.360 9.968 -3.233 140 HG2 GLU 16 1HG GLU 16 -10.327 10.130 -1.004 141 HG3 GLU 16 2HG GLU 16 -8.821 9.228 -1.150 142 H LYS 17 H LYS 17 -8.897 7.768 -5.472 143 HA LYS 17 HA LYS 17 -8.630 9.641 -7.684 144 HB2 LYS 17 1HB LYS 17 -9.407 6.716 -7.690 145 HB3 LYS 17 2HB LYS 17 -9.183 7.700 -9.125 146 HG2 LYS 17 1HG LYS 17 -6.796 8.066 -8.268 147 HG3 LYS 17 2HG LYS 17 -7.127 6.705 -7.190 148 HD2 LYS 17 1HD LYS 17 -7.826 5.400 -9.228 149 HD3 LYS 17 2HD LYS 17 -7.200 6.727 -10.204 150 HE2 LYS 17 1HE LYS 17 -5.442 5.202 -10.147 151 HE3 LYS 17 2HE LYS 17 -5.012 6.381 -8.908 152 HZ1 LYS 17 3HZ LYS 17 -5.862 4.879 -7.218 153 HZ2 LYS 17 1HZ LYS 17 -4.677 4.102 -8.155 154 HZ3 LYS 17 2HZ LYS 17 -6.314 3.758 -8.406 155 HA PRO 18 HA PRO 18 -12.957 10.764 -7.527 156 HB2 PRO 18 1HB PRO 18 -12.425 11.536 -10.342 157 HB3 PRO 18 2HB PRO 18 -13.079 12.503 -9.017 158 HG2 PRO 18 1HG PRO 18 -10.585 12.880 -9.891 159 HG3 PRO 18 2HG PRO 18 -10.983 12.998 -8.167 160 HD2 PRO 18 1HD PRO 18 -9.654 10.772 -9.659 161 HD3 PRO 18 2HD PRO 18 -9.304 11.411 -8.039 162 H VAL 19 H VAL 19 -14.391 9.155 -7.672 163 HA VAL 19 HA VAL 19 -14.120 7.128 -9.712 164 HB VAL 19 HB VAL 19 -16.320 7.318 -7.656 165 HG11 VAL 19 1HG1 VAL 19 -15.145 4.979 -9.155 166 HG12 VAL 19 2HG1 VAL 19 -16.709 5.735 -9.462 167 HG13 VAL 19 3HG1 VAL 19 -16.422 4.888 -7.942 168 HG21 VAL 19 3HG2 VAL 19 -14.957 5.875 -6.222 169 HG22 VAL 19 1HG2 VAL 19 -14.179 7.434 -6.498 170 HG23 VAL 19 2HG2 VAL 19 -13.620 6.002 -7.365 171 H ASN 20 H ASN 20 -14.637 8.096 -11.628 172 HA ASN 20 HA ASN 20 -16.960 9.674 -12.078 173 HB2 ASN 20 1HB ASN 20 -15.347 8.075 -14.087 174 HB3 ASN 20 2HB ASN 20 -16.473 9.374 -14.463 175 HD21 ASN 20 2HD2 ASN 20 -13.338 8.557 -13.233 176 HD22 ASN 20 1HD2 ASN 20 -12.678 10.157 -13.259 177 H ASP 21 H ASP 21 -16.309 6.314 -11.905 178 HA ASP 21 HA ASP 21 -18.589 5.361 -13.303 179 HB2 ASP 21 1HB ASP 21 -16.879 4.050 -11.180 180 HB3 ASP 21 2HB ASP 21 -18.124 3.218 -12.106 181 H ARG 22 H ARG 22 -18.104 6.671 -10.159 182 HA ARG 22 HA ARG 22 -20.639 5.637 -9.159 183 HB2 ARG 22 1HB ARG 22 -18.674 5.797 -7.644 184 HB3 ARG 22 2HB ARG 22 -18.678 7.541 -7.856 185 HG2 ARG 22 1HG ARG 22 -20.842 7.703 -6.792 186 HG3 ARG 22 2HG ARG 22 -20.936 5.946 -6.662 187 HD2 ARG 22 1HD ARG 22 -18.963 5.951 -5.211 188 HD3 ARG 22 2HD ARG 22 -18.867 7.706 -5.347 189 HE ARG 22 HE ARG 22 -21.411 7.129 -4.413 190 HH11 ARG 22 1HH1 ARG 22 -18.118 6.606 -3.313 191 HH12 ARG 22 2HH1 ARG 22 -18.531 6.731 -1.630 192 HH21 ARG 22 1HH2 ARG 22 -21.952 7.257 -2.213 193 HH22 ARG 22 2HH2 ARG 22 -20.723 7.064 -0.998 194 H ARG 23 H ARG 23 -19.111 8.792 -9.787 195 HA ARG 23 HA ARG 23 -21.800 9.846 -10.375 196 HB2 ARG 23 1HB ARG 23 -20.643 10.725 -8.249 197 HB3 ARG 23 2HB ARG 23 -19.538 11.544 -9.343 198 HG2 ARG 23 1HG ARG 23 -21.325 12.824 -10.292 199 HG3 ARG 23 2HG ARG 23 -22.524 11.905 -9.378 200 HD2 ARG 23 1HD ARG 23 -21.321 12.709 -7.291 201 HD3 ARG 23 2HD ARG 23 -20.474 13.842 -8.343 202 HE ARG 23 HE ARG 23 -22.972 14.428 -8.976 203 HH11 ARG 23 1HH1 ARG 23 -21.611 13.750 -5.812 204 HH12 ARG 23 2HH1 ARG 23 -22.703 14.817 -4.978 205 HH21 ARG 23 1HH2 ARG 23 -24.426 15.810 -7.865 206 HH22 ARG 23 2HH2 ARG 23 -24.292 15.978 -6.136 207 H SER 24 H SER 24 -21.981 10.235 -12.477 208 HA SER 24 HA SER 24 -19.515 10.323 -14.047 209 HB2 SER 24 1HB SER 24 -22.354 9.834 -14.966 210 HB3 SER 24 2HB SER 24 -20.881 9.580 -15.904 211 HG SER 24 HG SER 24 -20.324 8.117 -14.012 212 H ARG 25 H ARG 25 -22.230 12.311 -13.198 213 HA ARG 25 HA ARG 25 -21.834 14.119 -15.419 214 HB2 ARG 25 1HB ARG 25 -24.095 13.800 -14.503 215 HB3 ARG 25 2HB ARG 25 -23.558 14.441 -12.953 216 HG2 ARG 25 1HG ARG 25 -23.085 16.592 -13.987 217 HG3 ARG 25 2HG ARG 25 -23.578 15.955 -15.557 218 HD2 ARG 25 1HD ARG 25 -25.356 16.161 -13.132 219 HD3 ARG 25 2HD ARG 25 -25.322 17.319 -14.460 220 HE ARG 25 HE ARG 25 -26.258 14.529 -14.634 221 HH11 ARG 25 1HH1 ARG 25 -26.044 17.757 -15.975 222 HH12 ARG 25 2HH1 ARG 25 -27.318 17.506 -17.128 223 HH21 ARG 25 1HH2 ARG 25 -27.906 14.181 -16.156 224 HH22 ARG 25 2HH2 ARG 25 -28.378 15.462 -17.237 225 H GLN 26 H GLN 26 -20.171 15.441 -15.466 226 HA GLN 26 HA GLN 26 -18.836 16.187 -12.979 227 HB2 GLN 26 1HB GLN 26 -18.033 16.789 -15.832 228 HB3 GLN 26 2HB GLN 26 -17.026 16.947 -14.398 229 HG2 GLN 26 1HG GLN 26 -17.091 14.536 -14.070 230 HG3 GLN 26 2HG GLN 26 -18.132 14.365 -15.482 231 HE21 GLN 26 2HE2 GLN 26 -15.537 13.194 -14.994 232 HE22 GLN 26 1HE2 GLN 26 -14.502 13.743 -16.266 233 H GLN 27 H GLN 27 -21.341 17.327 -14.659 234 HA GLN 27 HA GLN 27 -20.665 20.151 -14.615 235 HB2 GLN 27 1HB GLN 27 -23.211 18.716 -15.387 236 HB3 GLN 27 2HB GLN 27 -22.950 20.449 -15.537 237 HG2 GLN 27 1HG GLN 27 -21.179 20.082 -17.136 238 HG3 GLN 27 2HG GLN 27 -21.327 18.336 -16.934 239 HE21 GLN 27 2HE2 GLN 27 -21.620 20.011 -19.316 240 HE22 GLN 27 1HE2 GLN 27 -23.193 19.660 -19.939 241 H GLU 28 H GLU 28 -21.247 18.184 -12.224 242 HA GLU 28 HA GLU 28 -23.237 19.838 -10.854 243 HB2 GLU 28 1HB GLU 28 -21.949 17.238 -10.001 244 HB3 GLU 28 2HB GLU 28 -23.208 18.093 -9.119 245 HG2 GLU 28 1HG GLU 28 -24.670 17.821 -11.132 246 HG3 GLU 28 2HG GLU 28 -23.427 16.768 -11.805 247 H VAL 29 H VAL 29 -22.779 20.645 -8.720 248 HA VAL 29 HA VAL 29 -20.209 21.873 -8.578 249 HB VAL 29 HB VAL 29 -22.357 21.803 -6.454 250 HG11 VAL 29 1HG1 VAL 29 -21.313 23.871 -5.657 251 HG12 VAL 29 2HG1 VAL 29 -20.064 23.712 -6.892 252 HG13 VAL 29 3HG1 VAL 29 -20.190 22.512 -5.605 253 HG21 VAL 29 3HG2 VAL 29 -21.921 23.796 -8.676 254 HG22 VAL 29 1HG2 VAL 29 -23.085 23.965 -7.363 255 HG23 VAL 29 2HG2 VAL 29 -23.265 22.663 -8.539 256 H SER 30 H SER 30 -21.932 19.586 -6.510 257 HA SER 30 HA SER 30 -21.266 17.995 -5.047 258 HB2 SER 30 1HB SER 30 -18.730 17.958 -6.698 259 HB3 SER 30 2HB SER 30 -19.286 16.683 -5.613 260 HG SER 30 HG SER 30 -20.285 17.468 -8.110 261 HA PRO 31 HA PRO 31 -18.885 20.870 -2.399 262 HB2 PRO 31 1HB PRO 31 -20.440 20.604 -0.220 263 HB3 PRO 31 2HB PRO 31 -20.896 21.648 -1.572 264 HG2 PRO 31 1HG PRO 31 -21.833 18.884 -0.911 265 HG3 PRO 31 2HG PRO 31 -22.773 20.282 -1.466 266 HD2 PRO 31 1HD PRO 31 -21.958 18.258 -3.112 267 HD3 PRO 31 2HD PRO 31 -22.245 19.919 -3.666 268 H ALA 32 H ALA 32 -18.344 18.007 -2.929 269 HA ALA 32 HA ALA 32 -16.873 17.405 -0.531 270 HB1 ALA 32 3HB ALA 32 -17.823 15.173 -0.203 271 HB2 ALA 32 1HB ALA 32 -19.012 15.486 -1.468 272 HB3 ALA 32 2HB ALA 32 -19.046 16.422 0.027 273 H GLY 33 H GLY 33 -15.049 17.488 -1.767 274 HA2 GLY 33 1HA GLY 33 -14.919 15.981 -4.255 275 HA3 GLY 33 2HA GLY 33 -13.699 17.086 -3.643 276 H THR 34 H THR 34 -14.961 14.682 -1.508 277 HA THR 34 HA THR 34 -12.662 12.942 -2.006 278 HB THR 34 HB THR 34 -12.111 14.557 -0.129 279 HG1 THR 34 HG1 THR 34 -10.935 12.693 -0.072 280 HG21 THR 34 3HG2 THR 34 -14.248 12.979 1.315 281 HG22 THR 34 1HG2 THR 34 -14.340 14.687 0.879 282 HG23 THR 34 2HG2 THR 34 -13.144 14.142 2.056 283 H SER 35 H SER 35 -12.895 10.881 -0.718 284 HA SER 35 HA SER 35 -15.630 10.169 -0.040 285 HB2 SER 35 1HB SER 35 -14.042 8.640 -2.125 286 HB3 SER 35 2HB SER 35 -15.640 8.211 -1.514 287 HG SER 35 HG SER 35 -15.730 10.730 -2.356 288 H MET 36 H MET 36 -15.624 7.834 0.826 289 HA MET 36 HA MET 36 -13.513 7.664 2.770 290 HB2 MET 36 1HB MET 36 -15.893 5.890 2.231 291 HB3 MET 36 2HB MET 36 -14.749 5.613 3.536 292 HG2 MET 36 1HG MET 36 -15.304 7.839 4.445 293 HG3 MET 36 2HG MET 36 -16.521 8.017 3.182 294 HE1 MET 36 3HE MET 36 -16.704 4.792 6.483 295 HE2 MET 36 1HE MET 36 -15.420 5.997 6.365 296 HE3 MET 36 2HE MET 36 -15.563 4.736 5.139 297 H ARG 37 H ARG 37 -13.505 6.824 -0.348 298 HA ARG 37 HA ARG 37 -12.041 4.327 -0.018 299 HB2 ARG 37 1HB ARG 37 -13.707 4.677 -1.897 300 HB3 ARG 37 2HB ARG 37 -12.582 5.837 -2.584 301 HG2 ARG 37 1HG ARG 37 -11.632 3.077 -1.980 302 HG3 ARG 37 2HG ARG 37 -12.628 3.356 -3.405 303 HD2 ARG 37 1HD ARG 37 -10.080 4.849 -2.792 304 HD3 ARG 37 2HD ARG 37 -10.173 3.430 -3.834 305 HE ARG 37 HE ARG 37 -11.467 6.021 -4.398 306 HH11 ARG 37 1HH1 ARG 37 -10.000 3.029 -5.461 307 HH12 ARG 37 2HH1 ARG 37 -10.156 3.399 -7.153 308 HH21 ARG 37 1HH2 ARG 37 -11.644 6.519 -6.657 309 HH22 ARG 37 2HH2 ARG 37 -11.080 5.356 -7.819 310 H TYR 38 H TYR 38 -10.154 4.884 0.964 311 HA TYR 38 HA TYR 38 -8.514 6.972 -0.293 312 HB2 TYR 38 1HB TYR 38 -8.249 5.698 2.442 313 HB3 TYR 38 2HB TYR 38 -7.224 6.980 1.808 314 HD1 TYR 38 HD2 TYR 38 -8.259 9.229 1.324 315 HD2 TYR 38 HD1 TYR 38 -10.307 6.192 3.487 316 HE1 TYR 38 HE2 TYR 38 -9.818 10.915 2.204 317 HE2 TYR 38 HE1 TYR 38 -11.873 7.868 4.371 318 HH TYR 38 HH TYR 38 -12.107 10.999 3.102 319 H GLU 39 H GLU 39 -6.834 6.369 -1.480 320 HA GLU 39 HA GLU 39 -5.887 3.598 -1.236 321 HB2 GLU 39 1HB GLU 39 -5.437 5.540 -3.506 322 HB3 GLU 39 2HB GLU 39 -5.059 3.822 -3.497 323 HG2 GLU 39 1HG GLU 39 -7.475 3.342 -3.269 324 HG3 GLU 39 2HG GLU 39 -7.795 5.069 -3.425 325 H ALA 40 H ALA 40 -3.505 3.311 -1.625 326 HA ALA 40 HA ALA 40 -2.004 5.574 -0.477 327 HB1 ALA 40 3HB ALA 40 -0.632 4.004 0.770 328 HB2 ALA 40 1HB ALA 40 -1.554 2.652 0.113 329 HB3 ALA 40 2HB ALA 40 -2.333 3.808 1.194 330 H SER 41 H SER 41 0.001 5.997 -1.294 331 HA SER 41 HA SER 41 0.679 4.650 -3.794 332 HB2 SER 41 1HB SER 41 1.904 7.118 -2.531 333 HB3 SER 41 2HB SER 41 2.184 6.534 -4.172 334 HG SER 41 HG SER 41 -0.318 6.726 -4.182 335 H PHE 42 H PHE 42 2.095 3.053 -3.800 336 HA PHE 42 HA PHE 42 3.962 2.795 -1.550 337 HB2 PHE 42 1HB PHE 42 3.028 0.753 -3.579 338 HB3 PHE 42 2HB PHE 42 4.182 0.432 -2.289 339 HD1 PHE 42 HD2 PHE 42 3.443 0.495 0.068 340 HD2 PHE 42 HD1 PHE 42 0.695 0.825 -3.161 341 HE1 PHE 42 HE2 PHE 42 1.590 -0.042 1.596 342 HE2 PHE 42 HE1 PHE 42 -1.164 0.290 -1.640 343 HZ PHE 42 HZ PHE 42 -0.717 -0.144 0.741 344 H LYS 43 H LYS 43 5.952 3.378 -1.844 345 HA LYS 43 HA LYS 43 6.978 3.824 -4.545 346 HB2 LYS 43 1HB LYS 43 7.048 5.650 -2.881 347 HB3 LYS 43 2HB LYS 43 8.052 4.654 -1.840 348 HG2 LYS 43 1HG LYS 43 9.795 4.647 -3.590 349 HG3 LYS 43 2HG LYS 43 8.789 5.739 -4.549 350 HD2 LYS 43 1HD LYS 43 8.835 7.368 -2.703 351 HD3 LYS 43 2HD LYS 43 9.887 6.285 -1.790 352 HE2 LYS 43 1HE LYS 43 11.548 6.432 -3.619 353 HE3 LYS 43 2HE LYS 43 10.508 7.602 -4.431 354 HZ1 LYS 43 3HZ LYS 43 11.760 7.935 -1.754 355 HZ2 LYS 43 1HZ LYS 43 10.724 9.060 -2.493 356 HZ3 LYS 43 2HZ LYS 43 12.235 8.714 -3.183 357 HA PRO 44 HA PRO 44 9.282 -0.011 -4.135 358 HB2 PRO 44 1HB PRO 44 10.532 0.880 -6.650 359 HB3 PRO 44 2HB PRO 44 9.605 -0.585 -6.315 360 HG2 PRO 44 1HG PRO 44 8.597 1.401 -7.808 361 HG3 PRO 44 2HG PRO 44 7.576 0.450 -6.713 362 HD2 PRO 44 1HD PRO 44 8.735 3.188 -6.328 363 HD3 PRO 44 2HD PRO 44 7.108 2.588 -5.931 364 H LEU 45 H LEU 45 11.100 -0.332 -3.035 365 HA LEU 45 HA LEU 45 12.850 1.743 -2.328 366 HB2 LEU 45 1HB LEU 45 13.068 -1.244 -2.059 367 HB3 LEU 45 2HB LEU 45 14.282 -0.148 -1.427 368 HG LEU 45 HG LEU 45 11.375 -0.172 -0.607 369 HD11 LEU 45 1HD1 LEU 45 12.547 -2.166 0.158 370 HD12 LEU 45 2HD1 LEU 45 12.203 -1.081 1.507 371 HD13 LEU 45 3HD1 LEU 45 13.832 -1.164 0.833 372 HD21 LEU 45 3HD2 LEU 45 12.398 2.036 -0.446 373 HD22 LEU 45 1HD2 LEU 45 13.740 1.356 0.473 374 HD23 LEU 45 2HD2 LEU 45 12.114 1.353 1.156 375 H ASN 46 H ASN 46 13.026 -0.612 -4.917 376 HA ASN 46 HA ASN 46 15.799 0.124 -5.449 377 HB2 ASN 46 1HB ASN 46 14.105 -1.953 -6.852 378 HB3 ASN 46 2HB ASN 46 15.845 -1.737 -7.015 379 HD21 ASN 46 2HD2 ASN 46 17.193 -2.317 -5.270 380 HD22 ASN 46 1HD2 ASN 46 16.643 -3.406 -4.037 381 H GLY 47 H GLY 47 13.353 1.773 -5.901 382 HA2 GLY 47 1HA GLY 47 12.972 3.502 -7.423 383 HA3 GLY 47 2HA GLY 47 14.067 2.717 -8.553 384 H GLY 48 H GLY 48 11.384 3.846 -8.970 385 HA2 GLY 48 1HA GLY 48 10.343 2.418 -10.938 386 HA3 GLY 48 2HA GLY 48 9.757 1.501 -9.556 387 H LEU 49 H LEU 49 7.790 2.373 -10.977 388 HA LEU 49 HA LEU 49 6.959 5.025 -10.181 389 HB2 LEU 49 1HB LEU 49 5.507 2.831 -11.660 390 HB3 LEU 49 2HB LEU 49 4.851 4.431 -11.368 391 HG LEU 49 HG LEU 49 7.340 3.851 -12.973 392 HD11 LEU 49 1HD1 LEU 49 5.981 4.472 -14.911 393 HD12 LEU 49 2HD1 LEU 49 4.562 4.604 -13.872 394 HD13 LEU 49 3HD1 LEU 49 5.343 3.040 -14.103 395 HD21 LEU 49 3HD2 LEU 49 7.397 6.030 -11.888 396 HD22 LEU 49 1HD2 LEU 49 5.804 6.409 -12.541 397 HD23 LEU 49 2HD2 LEU 49 7.176 6.202 -13.630 398 H GLU 50 H GLU 50 5.602 5.544 -8.580 399 HA GLU 50 HA GLU 50 5.197 3.702 -6.469 400 HB2 GLU 50 1HB GLU 50 3.988 6.438 -6.904 401 HB3 GLU 50 2HB GLU 50 3.951 5.539 -5.394 402 HG2 GLU 50 1HG GLU 50 6.354 5.655 -5.219 403 HG3 GLU 50 2HG GLU 50 6.457 6.446 -6.790 404 H LYS 51 H LYS 51 3.738 2.149 -6.429 405 HA LYS 51 HA LYS 51 1.440 2.223 -8.181 406 HB2 LYS 51 1HB LYS 51 2.437 0.149 -6.228 407 HB3 LYS 51 2HB LYS 51 0.974 -0.045 -7.180 408 HG2 LYS 51 1HG LYS 51 2.341 0.171 -9.237 409 HG3 LYS 51 2HG LYS 51 3.787 0.218 -8.223 410 HD2 LYS 51 1HD LYS 51 3.356 -1.991 -7.397 411 HD3 LYS 51 2HD LYS 51 1.780 -2.033 -8.190 412 HE2 LYS 51 1HE LYS 51 3.297 -3.338 -9.495 413 HE3 LYS 51 2HE LYS 51 2.956 -1.854 -10.380 414 HZ1 LYS 51 3HZ LYS 51 5.071 -0.954 -9.604 415 HZ2 LYS 51 1HZ LYS 51 5.298 -2.397 -10.462 416 HZ3 LYS 51 2HZ LYS 51 5.391 -2.393 -8.772 417 H THR 52 H THR 52 -0.567 2.777 -7.627 418 HA THR 52 HA THR 52 -1.067 3.420 -4.807 419 HB THR 52 HB THR 52 -2.599 4.353 -7.242 420 HG1 THR 52 HG1 THR 52 -0.226 5.037 -6.714 421 HG21 THR 52 3HG2 THR 52 -3.895 4.414 -5.153 422 HG22 THR 52 1HG2 THR 52 -3.526 6.039 -5.729 423 HG23 THR 52 2HG2 THR 52 -2.611 5.349 -4.387 424 H PHE 53 H PHE 53 -1.943 1.700 -3.822 425 HA PHE 53 HA PHE 53 -3.974 0.133 -5.247 426 HB2 PHE 53 1HB PHE 53 -2.305 -0.469 -2.809 427 HB3 PHE 53 2HB PHE 53 -3.684 -1.457 -3.269 428 HD1 PHE 53 HD2 PHE 53 -3.665 -2.598 -5.507 429 HD2 PHE 53 HD1 PHE 53 -0.213 -0.748 -3.839 430 HE1 PHE 53 HE2 PHE 53 -2.237 -3.898 -7.030 431 HE2 PHE 53 HE1 PHE 53 1.220 -2.046 -5.360 432 HZ PHE 53 HZ PHE 53 0.209 -3.623 -6.958 433 H ARG 54 H ARG 54 -5.988 -0.242 -4.395 434 HA ARG 54 HA ARG 54 -7.051 1.937 -2.895 435 HB2 ARG 54 1HB ARG 54 -9.226 0.536 -3.115 436 HB3 ARG 54 2HB ARG 54 -8.527 1.283 -4.538 437 HG2 ARG 54 1HG ARG 54 -9.220 -0.876 -5.175 438 HG3 ARG 54 2HG ARG 54 -7.466 -0.943 -5.059 439 HD2 ARG 54 1HD ARG 54 -7.660 -1.989 -2.849 440 HD3 ARG 54 2HD ARG 54 -9.418 -1.915 -2.973 441 HE ARG 54 HE ARG 54 -8.042 -3.351 -5.095 442 HH11 ARG 54 1HH1 ARG 54 -9.703 -3.550 -2.025 443 HH12 ARG 54 2HH1 ARG 54 -10.158 -5.212 -2.224 444 HH21 ARG 54 1HH2 ARG 54 -8.638 -5.544 -5.372 445 HH22 ARG 54 2HH2 ARG 54 -9.535 -6.356 -4.121 446 H LEU 55 H LEU 55 -7.678 2.071 -0.838 447 HA LEU 55 HA LEU 55 -7.662 -0.369 0.804 448 HB2 LEU 55 1HB LEU 55 -6.510 2.301 1.625 449 HB3 LEU 55 2HB LEU 55 -6.593 0.866 2.625 450 HG LEU 55 HG LEU 55 -4.947 1.124 0.109 451 HD11 LEU 55 1HD1 LEU 55 -4.119 1.178 3.005 452 HD12 LEU 55 2HD1 LEU 55 -4.114 2.553 1.899 453 HD13 LEU 55 3HD1 LEU 55 -3.031 1.188 1.617 454 HD21 LEU 55 3HD2 LEU 55 -3.929 -0.973 0.842 455 HD22 LEU 55 1HD2 LEU 55 -5.657 -1.166 0.549 456 HD23 LEU 55 2HD2 LEU 55 -5.051 -1.045 2.200 457 H GLN 56 H GLN 56 -8.588 0.302 3.076 458 HA GLN 56 HA GLN 56 -10.841 2.153 2.702 459 HB2 GLN 56 1HB GLN 56 -10.704 -0.370 4.352 460 HB3 GLN 56 2HB GLN 56 -11.998 0.810 4.489 461 HG2 GLN 56 1HG GLN 56 -12.447 0.447 2.046 462 HG3 GLN 56 2HG GLN 56 -11.316 -0.906 2.121 463 HE21 GLN 56 2HE2 GLN 56 -14.193 -0.866 1.562 464 HE22 GLN 56 1HE2 GLN 56 -14.931 -1.891 2.742 465 H ALA 57 H ALA 57 -11.682 2.716 5.095 466 HA ALA 57 HA ALA 57 -9.746 4.458 6.137 467 HB1 ALA 57 3HB ALA 57 -12.152 4.861 6.319 468 HB2 ALA 57 1HB ALA 57 -11.363 4.932 7.895 469 HB3 ALA 57 2HB ALA 57 -12.293 3.505 7.438 470 H GLN 58 H GLN 58 -11.061 1.430 7.496 471 HA GLN 58 HA GLN 58 -9.357 1.480 9.769 472 HB2 GLN 58 1HB GLN 58 -11.083 -0.635 8.519 473 HB3 GLN 58 2HB GLN 58 -10.029 -1.012 9.878 474 HG2 GLN 58 1HG GLN 58 -11.143 0.662 11.235 475 HG3 GLN 58 2HG GLN 58 -12.169 1.103 9.871 476 HE21 GLN 58 2HE2 GLN 58 -12.767 0.028 12.571 477 HE22 GLN 58 1HE2 GLN 58 -13.738 -1.377 12.289 478 H GLN 59 H GLN 59 -8.970 0.311 6.530 479 HA GLN 59 HA GLN 59 -6.738 -1.383 7.083 480 HB2 GLN 59 1HB GLN 59 -8.132 -1.640 5.049 481 HB3 GLN 59 2HB GLN 59 -7.540 -0.088 4.472 482 HG2 GLN 59 1HG GLN 59 -6.377 -1.918 3.392 483 HG3 GLN 59 2HG GLN 59 -5.275 -0.965 4.380 484 HE21 GLN 59 2HE2 GLN 59 -4.422 -1.860 6.263 485 HE22 GLN 59 1HE2 GLN 59 -4.477 -3.561 6.572 486 H TYR 60 H TYR 60 -7.125 1.935 5.878 487 HA TYR 60 HA TYR 60 -4.356 2.469 5.604 488 HB2 TYR 60 1HB TYR 60 -6.232 3.775 4.540 489 HB3 TYR 60 2HB TYR 60 -6.556 4.482 6.118 490 HD1 TYR 60 HD2 TYR 60 -3.928 4.144 3.515 491 HD2 TYR 60 HD1 TYR 60 -5.364 6.373 6.842 492 HE1 TYR 60 HE2 TYR 60 -2.255 5.888 3.062 493 HE2 TYR 60 HE1 TYR 60 -3.696 8.123 6.396 494 HH TYR 60 HH TYR 60 -1.479 8.308 5.264 495 H HIS 61 H HIS 61 -6.510 2.412 8.286 496 HA HIS 61 HA HIS 61 -5.046 3.983 10.118 497 HB2 HIS 61 1HB HIS 61 -7.391 3.314 10.470 498 HB3 HIS 61 2HB HIS 61 -6.893 1.635 10.626 499 HD1 HIS 61 HD1 HIS 61 -7.443 1.146 13.005 500 HD2 HIS 61 HD2 HIS 61 -5.328 4.706 12.574 501 HE1 HIS 61 HE1 HIS 61 -6.920 1.918 15.343 502 HE2 HIS 61 HE2 HIS 61 -5.825 4.170 15.058 503 H ALA 62 H ALA 62 -4.499 0.864 8.797 504 HA ALA 62 HA ALA 62 -2.519 0.226 10.871 505 HB1 ALA 62 3HB ALA 62 -3.614 -1.515 8.664 506 HB2 ALA 62 1HB ALA 62 -4.138 -1.533 10.347 507 HB3 ALA 62 2HB ALA 62 -2.497 -2.024 9.930 508 H LEU 63 H LEU 63 -2.660 1.869 8.066 509 HA LEU 63 HA LEU 63 -0.214 0.850 6.870 510 HB2 LEU 63 1HB LEU 63 -2.400 2.640 6.048 511 HB3 LEU 63 2HB LEU 63 -0.813 3.133 5.493 512 HG LEU 63 HG LEU 63 -2.068 1.762 3.847 513 HD11 LEU 63 1HD1 LEU 63 0.358 1.872 3.772 514 HD12 LEU 63 2HD1 LEU 63 -0.215 0.274 3.291 515 HD13 LEU 63 3HD1 LEU 63 0.466 0.519 4.899 516 HD21 LEU 63 3HD2 LEU 63 -2.280 -0.645 4.224 517 HD22 LEU 63 1HD2 LEU 63 -3.231 0.279 5.388 518 HD23 LEU 63 2HD2 LEU 63 -1.694 -0.439 5.875 519 H THR 64 H THR 64 1.602 1.407 7.896 520 HA THR 64 HA THR 64 1.811 3.970 9.230 521 HB THR 64 HB THR 64 3.976 1.881 8.932 522 HG1 THR 64 HG1 THR 64 1.653 1.627 10.173 523 HG21 THR 64 3HG2 THR 64 4.837 2.893 10.997 524 HG22 THR 64 1HG2 THR 64 3.514 4.062 10.976 525 HG23 THR 64 2HG2 THR 64 4.730 4.083 9.699 526 H VAL 65 H VAL 65 1.978 5.593 7.801 527 HA VAL 65 HA VAL 65 3.274 5.525 5.322 528 HB VAL 65 HB VAL 65 2.539 7.841 7.112 529 HG11 VAL 65 1HG1 VAL 65 4.384 8.544 5.671 530 HG12 VAL 65 2HG1 VAL 65 2.871 9.302 5.175 531 HG13 VAL 65 3HG1 VAL 65 3.517 7.942 4.258 532 HG21 VAL 65 3HG2 VAL 65 1.323 6.747 4.587 533 HG22 VAL 65 1HG2 VAL 65 0.723 8.121 5.515 534 HG23 VAL 65 2HG2 VAL 65 0.704 6.503 6.220 535 H GLY 66 H GLY 66 5.283 5.949 4.652 536 HA2 GLY 66 1HA GLY 66 7.497 6.670 4.767 537 HA3 GLY 66 2HA GLY 66 7.271 7.031 6.472 538 H ASP 67 H ASP 67 6.131 4.336 6.994 539 HA ASP 67 HA ASP 67 8.714 3.202 7.597 540 HB2 ASP 67 1HB ASP 67 6.782 3.191 9.225 541 HB3 ASP 67 2HB ASP 67 6.041 1.948 8.217 542 H GLN 68 H GLN 68 9.620 2.517 5.789 543 HA GLN 68 HA GLN 68 8.717 0.983 3.717 544 HB2 GLN 68 1HB GLN 68 11.312 0.510 5.198 545 HB3 GLN 68 2HB GLN 68 10.976 0.125 3.516 546 HG2 GLN 68 1HG GLN 68 10.868 2.437 2.939 547 HG3 GLN 68 2HG GLN 68 10.953 2.917 4.630 548 HE21 GLN 68 2HE2 GLN 68 12.766 4.188 4.239 549 HE22 GLN 68 1HE2 GLN 68 14.335 3.491 3.977 550 H GLY 69 H GLY 69 7.996 -1.071 3.445 551 HA2 GLY 69 1HA GLY 69 8.567 -3.128 5.381 552 HA3 GLY 69 2HA GLY 69 6.910 -2.550 5.444 553 H THR 70 H THR 70 6.619 -4.914 4.941 554 HA THR 70 HA THR 70 7.312 -5.647 2.199 555 HB THR 70 HB THR 70 5.992 -7.351 4.321 556 HG1 THR 70 HG1 THR 70 7.914 -7.370 5.200 557 HG21 THR 70 3HG2 THR 70 5.709 -8.195 2.038 558 HG22 THR 70 1HG2 THR 70 6.805 -9.225 2.959 559 HG23 THR 70 2HG2 THR 70 7.449 -8.086 1.775 560 H LEU 71 H LEU 71 5.903 -5.833 0.570 561 HA LEU 71 HA LEU 71 3.042 -5.433 1.157 562 HB2 LEU 71 1HB LEU 71 3.945 -3.528 -0.020 563 HB3 LEU 71 2HB LEU 71 4.700 -4.565 -1.213 564 HG LEU 71 HG LEU 71 2.454 -5.240 -2.013 565 HD11 LEU 71 1HD1 LEU 71 0.497 -3.971 -1.298 566 HD12 LEU 71 2HD1 LEU 71 1.476 -3.132 -0.095 567 HD13 LEU 71 3HD1 LEU 71 1.204 -4.869 0.045 568 HD21 LEU 71 3HD2 LEU 71 2.966 -2.268 -1.985 569 HD22 LEU 71 1HD2 LEU 71 1.922 -3.124 -3.120 570 HD23 LEU 71 2HD2 LEU 71 3.659 -3.433 -3.114 571 H SER 72 H SER 72 1.794 -7.103 0.701 572 HA SER 72 HA SER 72 2.806 -9.162 -1.139 573 HB2 SER 72 1HB SER 72 0.703 -9.412 1.026 574 HB3 SER 72 2HB SER 72 1.368 -10.727 0.055 575 HG SER 72 HG SER 72 3.200 -9.154 1.419 576 H TYR 73 H TYR 73 1.964 -8.982 -3.093 577 HA TYR 73 HA TYR 73 -0.934 -8.759 -3.336 578 HB2 TYR 73 1HB TYR 73 -0.770 -7.111 -5.148 579 HB3 TYR 73 2HB TYR 73 -0.129 -6.466 -3.645 580 HD1 TYR 73 HD1 TYR 73 2.424 -6.470 -3.352 581 HD2 TYR 73 HD2 TYR 73 0.508 -7.073 -7.103 582 HE1 TYR 73 HE1 TYR 73 4.501 -5.841 -4.508 583 HE2 TYR 73 HE2 TYR 73 2.582 -6.451 -8.268 584 HH TYR 73 HH TYR 73 5.557 -6.273 -6.758 585 H LYS 74 H LYS 74 -1.635 -9.332 -5.588 586 HA LYS 74 HA LYS 74 0.294 -11.101 -6.912 587 HB2 LYS 74 1HB LYS 74 -1.259 -12.372 -5.341 588 HB3 LYS 74 2HB LYS 74 -2.571 -11.915 -6.418 589 HG2 LYS 74 1HG LYS 74 -1.363 -13.058 -8.273 590 HG3 LYS 74 2HG LYS 74 -0.180 -13.620 -7.084 591 HD2 LYS 74 1HD LYS 74 -3.137 -14.158 -6.863 592 HD3 LYS 74 2HD LYS 74 -2.009 -15.258 -7.655 593 HE2 LYS 74 1HE LYS 74 -1.646 -14.309 -4.824 594 HE3 LYS 74 2HE LYS 74 -2.569 -15.754 -5.232 595 HZ1 LYS 74 3HZ LYS 74 -0.631 -16.726 -6.218 596 HZ2 LYS 74 1HZ LYS 74 -0.245 -16.228 -4.641 597 HZ3 LYS 74 2HZ LYS 74 0.272 -15.314 -5.974 598 H GLY 75 H GLY 75 0.550 -9.896 -8.699 599 HA2 GLY 75 1HA GLY 75 0.014 -9.103 -10.800 600 HA3 GLY 75 2HA GLY 75 -1.630 -9.684 -10.560 601 H THR 76 H THR 76 -3.132 -8.164 -10.427 602 HA THR 76 HA THR 76 -2.325 -5.458 -9.636 603 HB THR 76 HB THR 76 -4.677 -4.914 -10.585 604 HG1 THR 76 HG1 THR 76 -4.449 -7.008 -12.342 605 HG21 THR 76 3HG2 THR 76 -2.454 -5.837 -12.413 606 HG22 THR 76 1HG2 THR 76 -2.581 -4.247 -11.660 607 HG23 THR 76 2HG2 THR 76 -3.770 -4.751 -12.859 608 H ARG 77 H ARG 77 -3.528 -8.127 -8.211 609 HA ARG 77 HA ARG 77 -5.648 -6.802 -6.710 610 HB2 ARG 77 1HB ARG 77 -6.064 -9.096 -7.496 611 HB3 ARG 77 2HB ARG 77 -4.682 -9.665 -6.566 612 HG2 ARG 77 1HG ARG 77 -5.856 -8.733 -4.521 613 HG3 ARG 77 2HG ARG 77 -7.281 -8.565 -5.544 614 HD2 ARG 77 1HD ARG 77 -7.234 -10.962 -6.011 615 HD3 ARG 77 2HD ARG 77 -5.794 -11.132 -5.004 616 HE ARG 77 HE ARG 77 -8.413 -10.254 -3.963 617 HH11 ARG 77 1HH1 ARG 77 -5.485 -12.153 -3.662 618 HH12 ARG 77 2HH1 ARG 77 -5.860 -12.705 -2.063 619 HH21 ARG 77 1HH2 ARG 77 -8.905 -10.981 -1.864 620 HH22 ARG 77 2HH2 ARG 77 -7.797 -12.038 -1.031 621 H PHE 78 H PHE 78 -5.150 -5.703 -4.964 622 HA PHE 78 HA PHE 78 -2.762 -6.088 -3.444 623 HB2 PHE 78 1HB PHE 78 -3.839 -3.903 -3.518 624 HB3 PHE 78 2HB PHE 78 -5.317 -4.572 -2.838 625 HD1 PHE 78 HD1 PHE 78 -1.822 -3.670 -2.114 626 HD2 PHE 78 HD2 PHE 78 -5.564 -4.892 -0.498 627 HE1 PHE 78 HE1 PHE 78 -1.020 -3.128 0.147 628 HE2 PHE 78 HE2 PHE 78 -4.767 -4.353 1.766 629 HZ PHE 78 HZ PHE 78 -2.492 -3.469 2.090 630 H VAL 79 H VAL 79 -2.404 -7.607 -1.930 631 HA VAL 79 HA VAL 79 -4.717 -9.111 -0.930 632 HB VAL 79 HB VAL 79 -1.785 -9.848 -0.833 633 HG11 VAL 79 1HG1 VAL 79 -3.051 -10.849 0.995 634 HG12 VAL 79 2HG1 VAL 79 -2.584 -12.073 -0.185 635 HG13 VAL 79 3HG1 VAL 79 -4.240 -11.467 -0.153 636 HG21 VAL 79 3HG2 VAL 79 -2.358 -11.486 -2.570 637 HG22 VAL 79 1HG2 VAL 79 -2.635 -9.831 -3.112 638 HG23 VAL 79 2HG2 VAL 79 -3.999 -10.841 -2.629 639 H GLY 80 H GLY 80 -1.647 -7.705 0.232 640 HA2 GLY 80 1HA GLY 80 -2.855 -6.472 2.464 641 HA3 GLY 80 2HA GLY 80 -2.150 -8.002 2.967 642 H PHE 81 H PHE 81 -1.442 -5.206 3.634 643 HA PHE 81 HA PHE 81 1.379 -5.344 2.818 644 HB2 PHE 81 1HB PHE 81 0.358 -3.359 1.837 645 HB3 PHE 81 2HB PHE 81 -0.267 -2.872 3.409 646 HD1 PHE 81 HD1 PHE 81 2.793 -3.275 1.396 647 HD2 PHE 81 HD2 PHE 81 1.100 -1.738 4.983 648 HE1 PHE 81 HE1 PHE 81 4.864 -2.017 1.831 649 HE2 PHE 81 HE2 PHE 81 3.164 -0.481 5.422 650 HZ PHE 81 HZ PHE 81 5.050 -0.618 3.848 651 H VAL 82 H VAL 82 2.781 -5.606 4.405 652 HA VAL 82 HA VAL 82 2.050 -4.771 7.122 653 HB VAL 82 HB VAL 82 3.306 -7.445 6.448 654 HG11 VAL 82 1HG1 VAL 82 4.206 -6.506 8.504 655 HG12 VAL 82 2HG1 VAL 82 3.166 -7.887 8.855 656 HG13 VAL 82 3HG1 VAL 82 2.574 -6.247 9.118 657 HG21 VAL 82 3HG2 VAL 82 1.271 -8.429 7.393 658 HG22 VAL 82 1HG2 VAL 82 0.915 -7.439 5.979 659 HG23 VAL 82 2HG2 VAL 82 0.586 -6.817 7.596 660 H SER 83 H SER 83 3.468 -3.096 7.256 661 HA SER 83 HA SER 83 6.021 -2.927 6.203 662 HB2 SER 83 1HB SER 83 5.091 -1.755 8.837 663 HB3 SER 83 2HB SER 83 6.433 -1.179 7.850 664 HG SER 83 HG SER 83 5.069 -0.091 6.706 665 H ARG 84 H ARG 84 5.456 -3.393 9.645 666 HA ARG 84 HA ARG 84 6.959 -5.830 9.761 667 HB2 ARG 84 1HB ARG 84 8.521 -3.736 9.736 668 HB3 ARG 84 2HB ARG 84 7.977 -3.538 11.394 669 HG2 ARG 84 1HG ARG 84 8.841 -5.717 11.969 670 HG3 ARG 84 2HG ARG 84 9.332 -5.981 10.288 671 HD2 ARG 84 1HD ARG 84 10.297 -3.809 12.117 672 HD3 ARG 84 2HD ARG 84 11.220 -5.227 11.615 673 HE ARG 84 HE ARG 84 10.490 -2.915 9.950 674 HH11 ARG 84 1HH1 ARG 84 12.144 -5.992 10.241 675 HH12 ARG 84 2HH1 ARG 84 13.197 -5.699 8.885 676 HH21 ARG 84 1HH2 ARG 84 11.862 -2.524 8.178 677 HH22 ARG 84 2HH2 ARG 84 13.060 -3.701 7.727 678 H THR 85 H THR 85 4.315 -4.472 10.490 679 HA THR 85 HA THR 85 4.372 -4.496 13.395 680 HB THR 85 HB THR 85 1.920 -3.676 12.940 681 HG1 THR 85 HG1 THR 85 1.495 -3.190 10.915 682 HG21 THR 85 3HG2 THR 85 2.747 -1.368 12.767 683 HG22 THR 85 1HG2 THR 85 4.342 -1.977 12.324 684 HG23 THR 85 2HG2 THR 85 3.687 -2.304 13.929 685 HA PRO 86 HA PRO 86 2.416 -8.519 13.506 686 HB2 PRO 86 1HB PRO 86 1.856 -7.895 16.312 687 HB3 PRO 86 2HB PRO 86 2.888 -9.157 15.634 688 HG2 PRO 86 1HG PRO 86 3.892 -7.015 16.935 689 HG3 PRO 86 2HG PRO 86 4.746 -7.801 15.593 690 HD2 PRO 86 1HD PRO 86 3.126 -5.282 15.596 691 HD3 PRO 86 2HD PRO 86 4.663 -5.635 14.777 692 H ASP 87 H ASP 87 0.411 -8.944 12.880 693 HA ASP 87 HA ASP 87 -1.715 -7.017 13.355 694 HB2 ASP 87 1HB ASP 87 -2.989 -8.291 11.739 695 HB3 ASP 87 2HB ASP 87 -1.360 -8.053 11.112 696 H ASN 88 H ASN 88 -0.501 -9.391 15.153 697 HA ASN 88 HA ASN 88 -2.823 -10.934 15.798 698 HB2 ASN 88 1HB ASN 88 -0.219 -10.656 17.313 699 HB3 ASN 88 2HB ASN 88 -1.438 -11.896 17.578 700 HD21 ASN 88 2HD2 ASN 88 -1.987 -12.249 14.734 701 HD22 ASN 88 1HD2 ASN 88 -0.624 -13.103 14.095 702 H GLU 89 H GLU 89 -1.815 -7.841 16.630 703 HA GLU 89 HA GLU 89 -3.038 -7.858 19.273 704 HB2 GLU 89 1HB GLU 89 -1.618 -5.679 17.735 705 HB3 GLU 89 2HB GLU 89 -2.278 -5.485 19.354 706 HG2 GLU 89 1HG GLU 89 -0.785 -7.266 20.151 707 HG3 GLU 89 2HG GLU 89 -0.094 -7.383 18.533 708 H LEU 90 H LEU 90 -4.333 -7.899 16.392 709 HA LEU 90 HA LEU 90 -6.182 -5.668 16.735 710 HB2 LEU 90 1HB LEU 90 -5.985 -7.738 14.543 711 HB3 LEU 90 2HB LEU 90 -7.099 -6.384 14.556 712 HG LEU 90 HG LEU 90 -4.088 -6.179 14.450 713 HD11 LEU 90 1HD1 LEU 90 -6.187 -5.681 12.345 714 HD12 LEU 90 2HD1 LEU 90 -5.029 -7.012 12.372 715 HD13 LEU 90 3HD1 LEU 90 -4.463 -5.353 12.176 716 HD21 LEU 90 3HD2 LEU 90 -5.088 -4.307 15.651 717 HD22 LEU 90 1HD2 LEU 90 -6.208 -4.035 14.315 718 HD23 LEU 90 2HD2 LEU 90 -4.476 -3.794 14.079 719 H GLU 91 H GLU 91 -8.206 -5.882 17.486 720 HA GLU 91 HA GLU 91 -8.928 -8.419 18.659 721 HB2 GLU 91 1HB GLU 91 -10.194 -5.688 18.736 722 HB3 GLU 91 2HB GLU 91 -10.920 -7.095 19.497 723 HG2 GLU 91 1HG GLU 91 -8.944 -7.354 20.904 724 HG3 GLU 91 2HG GLU 91 -8.220 -5.938 20.142 725 H HIS 92 H HIS 92 -9.830 -9.907 17.402 726 HA HIS 92 HA HIS 92 -11.941 -9.093 15.530 727 HB2 HIS 92 1HB HIS 92 -10.635 -11.796 15.963 728 HB3 HIS 92 2HB HIS 92 -11.886 -11.460 14.773 729 HD1 HIS 92 HD1 HIS 92 -11.131 -10.622 12.530 730 HD2 HIS 92 HD2 HIS 92 -8.126 -10.443 15.410 731 HE1 HIS 92 HE1 HIS 92 -9.031 -9.994 11.293 732 HE2 HIS 92 HE2 HIS 92 -7.196 -10.068 13.021 733 H HIS 93 H HIS 93 -13.650 -8.625 16.853 734 HA HIS 93 HA HIS 93 -14.274 -10.176 19.164 735 HB2 HIS 93 1HB HIS 93 -15.723 -7.966 17.718 736 HB3 HIS 93 2HB HIS 93 -16.453 -8.810 19.080 737 HD1 HIS 93 HD1 HIS 93 -16.426 -6.590 20.457 738 HD2 HIS 93 HD2 HIS 93 -12.664 -7.983 19.340 739 HE1 HIS 93 HE1 HIS 93 -14.774 -5.292 21.847 740 HE2 HIS 93 HE2 HIS 93 -12.510 -6.232 21.243 741 H HIS 94 H HIS 94 -14.962 -12.157 19.037 742 HA HIS 94 HA HIS 94 -16.285 -13.173 16.692 743 HB2 HIS 94 1HB HIS 94 -14.549 -14.382 18.142 744 HB3 HIS 94 2HB HIS 94 -15.856 -14.644 19.290 745 HD1 HIS 94 HD1 HIS 94 -16.501 -17.025 19.080 746 HD2 HIS 94 HD2 HIS 94 -15.827 -15.257 15.375 747 HE1 HIS 94 HE1 HIS 94 -17.029 -18.797 17.374 748 HE2 HIS 94 HE2 HIS 94 -16.408 -17.766 15.156 749 H HIS 95 H HIS 95 -17.204 -12.006 19.807 750 HA HIS 95 HA HIS 95 -19.976 -12.893 19.320 751 HB2 HIS 95 1HB HIS 95 -18.666 -13.636 21.464 752 HB3 HIS 95 2HB HIS 95 -18.982 -11.993 22.010 753 HD1 HIS 95 HD1 HIS 95 -21.020 -11.844 23.414 754 HD2 HIS 95 HD2 HIS 95 -21.302 -14.872 20.574 755 HE1 HIS 95 HE1 HIS 95 -23.234 -12.961 23.826 756 HE2 HIS 95 HE2 HIS 95 -23.356 -14.841 22.152 757 H HIS 96 H HIS 96 -21.009 -11.262 18.379 758 HA HIS 96 HA HIS 96 -20.101 -8.580 18.465 759 HB2 HIS 96 1HB HIS 96 -21.430 -9.786 16.617 760 HB3 HIS 96 2HB HIS 96 -22.855 -9.431 17.586 761 HD1 HIS 96 HD1 HIS 96 -20.415 -7.908 15.264 762 HD2 HIS 96 HD2 HIS 96 -23.526 -6.663 17.729 763 HE1 HIS 96 HE1 HIS 96 -20.955 -5.559 14.542 764 HE2 HIS 96 HE2 HIS 96 -22.980 -4.913 15.897 765 H HIS 97 H HIS 97 -22.947 -10.185 19.838 766 HA HIS 97 HA HIS 97 -22.915 -8.359 22.092 767 HB2 HIS 97 1HB HIS 97 -25.092 -8.383 20.052 768 HB3 HIS 97 2HB HIS 97 -25.561 -8.266 21.744 769 HD1 HIS 97 HD1 HIS 97 -24.796 -6.114 23.040 770 HD2 HIS 97 HD2 HIS 97 -24.012 -6.088 18.955 771 HE1 HIS 97 HE1 HIS 97 -24.283 -3.718 22.459 772 HE2 HIS 97 HE2 HIS 97 -23.927 -3.710 19.958 Start of MODEL 7 1 H1 MET 1 1H MET 1 4.013 -17.689 -0.701 2 H2 MET 1 2H MET 1 4.426 -19.070 0.184 3 H3 MET 1 3H MET 1 4.200 -19.180 -1.492 4 HA MET 1 HA MET 1 6.353 -17.699 -0.096 5 HB2 MET 1 1HB MET 1 6.517 -20.115 -1.907 6 HB3 MET 1 2HB MET 1 7.856 -19.335 -1.081 7 HG2 MET 1 1HG MET 1 7.026 -20.043 1.053 8 HG3 MET 1 2HG MET 1 5.557 -20.682 0.313 9 HE1 MET 1 3HE MET 1 5.863 -23.034 1.467 10 HE2 MET 1 1HE MET 1 7.296 -22.417 2.290 11 HE3 MET 1 2HE MET 1 7.365 -23.956 1.431 12 H ALA 2 H ALA 2 6.109 -19.145 -3.329 13 HA ALA 2 HA ALA 2 7.324 -16.773 -4.429 14 HB1 ALA 2 3HB ALA 2 8.078 -19.000 -5.091 15 HB2 ALA 2 1HB ALA 2 7.550 -18.040 -6.473 16 HB3 ALA 2 2HB ALA 2 6.506 -19.307 -5.829 17 HA PRO 3 HA PRO 3 3.113 -16.877 -7.102 18 HB2 PRO 3 1HB PRO 3 1.414 -17.693 -4.782 19 HB3 PRO 3 2HB PRO 3 1.180 -17.993 -6.509 20 HG2 PRO 3 1HG PRO 3 2.063 -19.931 -4.935 21 HG3 PRO 3 2HG PRO 3 2.748 -19.710 -6.556 22 HD2 PRO 3 1HD PRO 3 3.903 -19.003 -3.897 23 HD3 PRO 3 2HD PRO 3 4.713 -19.602 -5.358 24 H LEU 4 H LEU 4 3.050 -16.236 -3.613 25 HA LEU 4 HA LEU 4 1.806 -13.656 -3.964 26 HB2 LEU 4 1HB LEU 4 1.489 -15.078 -1.925 27 HB3 LEU 4 2HB LEU 4 3.173 -14.808 -1.529 28 HG LEU 4 HG LEU 4 2.727 -12.396 -1.310 29 HD11 LEU 4 1HD1 LEU 4 0.840 -12.227 -2.843 30 HD12 LEU 4 2HD1 LEU 4 0.418 -11.601 -1.249 31 HD13 LEU 4 3HD1 LEU 4 -0.147 -13.195 -1.748 32 HD21 LEU 4 3HD2 LEU 4 1.459 -12.549 0.779 33 HD22 LEU 4 1HD2 LEU 4 2.650 -13.842 0.647 34 HD23 LEU 4 2HD2 LEU 4 0.945 -14.179 0.346 35 H GLN 5 H GLN 5 3.017 -12.156 -4.970 36 HA GLN 5 HA GLN 5 5.890 -12.238 -4.787 37 HB2 GLN 5 1HB GLN 5 4.700 -11.664 -6.902 38 HB3 GLN 5 2HB GLN 5 4.143 -10.179 -6.144 39 HG2 GLN 5 1HG GLN 5 6.062 -9.773 -7.575 40 HG3 GLN 5 2HG GLN 5 6.440 -9.424 -5.888 41 HE21 GLN 5 2HE2 GLN 5 8.641 -9.674 -6.186 42 HE22 GLN 5 1HE2 GLN 5 9.384 -11.212 -6.457 43 H GLN 6 H GLN 6 6.921 -11.421 -3.142 44 HA GLN 6 HA GLN 6 5.691 -9.267 -1.587 45 HB2 GLN 6 1HB GLN 6 8.003 -11.092 -0.897 46 HB3 GLN 6 2HB GLN 6 7.277 -9.903 0.177 47 HG2 GLN 6 1HG GLN 6 5.181 -11.125 0.153 48 HG3 GLN 6 2HG GLN 6 5.862 -12.295 -0.977 49 HE21 GLN 6 2HE2 GLN 6 4.767 -12.690 1.699 50 HE22 GLN 6 1HE2 GLN 6 6.023 -13.432 2.623 51 H LYS 7 H LYS 7 6.421 -7.277 -1.776 52 HA LYS 7 HA LYS 7 9.213 -6.842 -2.621 53 HB2 LYS 7 1HB LYS 7 7.682 -6.415 -4.514 54 HB3 LYS 7 2HB LYS 7 6.776 -5.282 -3.522 55 HG2 LYS 7 1HG LYS 7 8.145 -3.970 -4.897 56 HG3 LYS 7 2HG LYS 7 8.919 -3.956 -3.312 57 HD2 LYS 7 1HD LYS 7 10.681 -4.284 -4.815 58 HD3 LYS 7 2HD LYS 7 10.338 -5.897 -4.189 59 HE2 LYS 7 1HE LYS 7 9.218 -4.828 -6.777 60 HE3 LYS 7 2HE LYS 7 10.706 -5.763 -6.672 61 HZ1 LYS 7 3HZ LYS 7 9.447 -7.602 -5.748 62 HZ2 LYS 7 1HZ LYS 7 8.831 -7.153 -7.263 63 HZ3 LYS 7 2HZ LYS 7 8.008 -6.705 -5.850 64 H GLN 8 H GLN 8 10.310 -5.413 -1.337 65 HA GLN 8 HA GLN 8 8.886 -4.147 0.827 66 HB2 GLN 8 1HB GLN 8 11.161 -5.070 1.156 67 HB3 GLN 8 2HB GLN 8 11.791 -3.872 0.033 68 HG2 GLN 8 1HG GLN 8 11.289 -2.091 1.500 69 HG3 GLN 8 2HG GLN 8 10.309 -3.128 2.535 70 HE21 GLN 8 2HE2 GLN 8 11.315 -4.535 3.956 71 HE22 GLN 8 1HE2 GLN 8 12.985 -4.378 4.381 72 H VAL 9 H VAL 9 7.833 -2.331 0.591 73 HA VAL 9 HA VAL 9 8.703 -0.455 -1.509 74 HB VAL 9 HB VAL 9 6.340 0.122 -1.892 75 HG11 VAL 9 1HG1 VAL 9 5.690 -1.925 -3.080 76 HG12 VAL 9 2HG1 VAL 9 6.949 -2.813 -2.223 77 HG13 VAL 9 3HG1 VAL 9 7.387 -1.520 -3.340 78 HG21 VAL 9 3HG2 VAL 9 5.437 -0.471 0.288 79 HG22 VAL 9 1HG2 VAL 9 5.755 -2.177 -0.027 80 HG23 VAL 9 2HG2 VAL 9 4.561 -1.309 -0.993 81 H VAL 10 H VAL 10 7.909 1.747 -1.210 82 HA VAL 10 HA VAL 10 7.785 2.509 1.632 83 HB VAL 10 HB VAL 10 8.383 4.265 -0.752 84 HG11 VAL 10 1HG1 VAL 10 7.513 5.477 1.166 85 HG12 VAL 10 2HG1 VAL 10 9.220 5.848 0.926 86 HG13 VAL 10 3HG1 VAL 10 8.730 4.738 2.208 87 HG21 VAL 10 3HG2 VAL 10 10.311 2.979 1.176 88 HG22 VAL 10 1HG2 VAL 10 10.734 4.178 -0.044 89 HG23 VAL 10 2HG2 VAL 10 10.132 2.594 -0.535 90 H VAL 11 H VAL 11 5.760 2.967 2.325 91 HA VAL 11 HA VAL 11 3.690 3.782 0.509 92 HB VAL 11 HB VAL 11 3.667 4.014 3.525 93 HG11 VAL 11 1HG1 VAL 11 1.933 5.308 2.413 94 HG12 VAL 11 2HG1 VAL 11 1.230 3.925 3.252 95 HG13 VAL 11 3HG1 VAL 11 1.433 3.882 1.500 96 HG21 VAL 11 3HG2 VAL 11 4.156 1.719 2.887 97 HG22 VAL 11 1HG2 VAL 11 2.777 1.716 1.787 98 HG23 VAL 11 2HG2 VAL 11 2.517 1.848 3.526 99 H SER 12 H SER 12 4.204 5.643 -0.510 100 HA SER 12 HA SER 12 5.610 7.775 0.683 101 HB2 SER 12 1HB SER 12 3.876 7.810 -1.799 102 HB3 SER 12 2HB SER 12 5.080 9.021 -1.363 103 HG SER 12 HG SER 12 5.788 7.397 -2.904 104 H ASN 13 H ASN 13 2.171 7.434 -0.162 105 HA ASN 13 HA ASN 13 1.333 9.086 1.989 106 HB2 ASN 13 1HB ASN 13 0.392 10.926 0.574 107 HB3 ASN 13 2HB ASN 13 2.147 10.915 0.671 108 HD21 ASN 13 2HD2 ASN 13 2.459 12.038 -1.192 109 HD22 ASN 13 1HD2 ASN 13 2.115 11.396 -2.763 110 H LYS 14 H LYS 14 -1.025 9.788 1.606 111 HA LYS 14 HA LYS 14 -2.478 7.514 0.467 112 HB2 LYS 14 1HB LYS 14 -3.014 7.951 2.770 113 HB3 LYS 14 2HB LYS 14 -3.233 9.664 2.450 114 HG2 LYS 14 1HG LYS 14 -5.155 9.006 0.954 115 HG3 LYS 14 2HG LYS 14 -5.001 7.387 1.636 116 HD2 LYS 14 1HD LYS 14 -6.714 8.611 2.824 117 HD3 LYS 14 2HD LYS 14 -5.338 8.328 3.889 118 HE2 LYS 14 1HE LYS 14 -5.643 10.894 2.356 119 HE3 LYS 14 2HE LYS 14 -6.435 10.652 3.910 120 HZ1 LYS 14 3HZ LYS 14 -4.377 11.747 4.294 121 HZ2 LYS 14 1HZ LYS 14 -3.513 10.625 3.361 122 HZ3 LYS 14 2HZ LYS 14 -4.193 10.153 4.839 123 H ARG 15 H ARG 15 -3.104 7.838 -1.579 124 HA ARG 15 HA ARG 15 -3.835 10.560 -2.401 125 HB2 ARG 15 1HB ARG 15 -2.940 8.168 -4.000 126 HB3 ARG 15 2HB ARG 15 -3.687 9.572 -4.750 127 HG2 ARG 15 1HG ARG 15 -1.896 10.989 -3.864 128 HG3 ARG 15 2HG ARG 15 -1.142 9.566 -3.140 129 HD2 ARG 15 1HD ARG 15 -0.878 8.576 -5.359 130 HD3 ARG 15 2HD ARG 15 -1.647 9.986 -6.085 131 HE ARG 15 HE ARG 15 0.297 11.263 -5.081 132 HH11 ARG 15 1HH1 ARG 15 0.542 7.907 -6.055 133 HH12 ARG 15 2HH1 ARG 15 2.244 7.996 -6.376 134 HH21 ARG 15 1HH2 ARG 15 2.539 11.384 -5.516 135 HH22 ARG 15 2HH2 ARG 15 3.391 9.952 -6.051 136 H GLU 16 H GLU 16 -5.783 10.992 -3.292 137 HA GLU 16 HA GLU 16 -7.770 8.816 -3.222 138 HB2 GLU 16 1HB GLU 16 -8.131 11.741 -2.532 139 HB3 GLU 16 2HB GLU 16 -9.431 10.558 -2.605 140 HG2 GLU 16 1HG GLU 16 -8.586 9.378 -0.737 141 HG3 GLU 16 2HG GLU 16 -7.066 10.270 -0.775 142 H LYS 17 H LYS 17 -8.252 8.311 -5.281 143 HA LYS 17 HA LYS 17 -8.126 10.378 -7.329 144 HB2 LYS 17 1HB LYS 17 -8.836 7.460 -7.673 145 HB3 LYS 17 2HB LYS 17 -8.435 8.602 -8.944 146 HG2 LYS 17 1HG LYS 17 -6.155 8.794 -7.818 147 HG3 LYS 17 2HG LYS 17 -6.621 7.348 -6.915 148 HD2 LYS 17 1HD LYS 17 -7.203 6.385 -9.255 149 HD3 LYS 17 2HD LYS 17 -6.164 7.677 -9.856 150 HE2 LYS 17 1HE LYS 17 -4.758 5.808 -9.646 151 HE3 LYS 17 2HE LYS 17 -4.409 6.804 -8.232 152 HZ1 LYS 17 3HZ LYS 17 -5.862 5.391 -6.913 153 HZ2 LYS 17 1HZ LYS 17 -4.640 4.466 -7.643 154 HZ3 LYS 17 2HZ LYS 17 -6.211 4.440 -8.273 155 HA PRO 18 HA PRO 18 -12.575 10.981 -7.081 156 HB2 PRO 18 1HB PRO 18 -12.686 12.676 -9.225 157 HB3 PRO 18 2HB PRO 18 -12.250 13.199 -7.596 158 HG2 PRO 18 1HG PRO 18 -10.483 12.574 -9.923 159 HG3 PRO 18 2HG PRO 18 -10.349 13.880 -8.732 160 HD2 PRO 18 1HD PRO 18 -8.836 11.639 -8.613 161 HD3 PRO 18 2HD PRO 18 -9.360 12.516 -7.160 162 H VAL 19 H VAL 19 -14.043 9.650 -7.975 163 HA VAL 19 HA VAL 19 -13.219 7.919 -10.104 164 HB VAL 19 HB VAL 19 -15.974 8.109 -8.877 165 HG11 VAL 19 1HG1 VAL 19 -16.154 5.763 -9.570 166 HG12 VAL 19 2HG1 VAL 19 -14.552 5.860 -10.300 167 HG13 VAL 19 3HG1 VAL 19 -15.875 6.830 -10.947 168 HG21 VAL 19 3HG2 VAL 19 -13.610 6.456 -7.986 169 HG22 VAL 19 1HG2 VAL 19 -15.249 6.326 -7.350 170 HG23 VAL 19 2HG2 VAL 19 -14.325 7.809 -7.110 171 H ASN 20 H ASN 20 -15.822 10.310 -9.709 172 HA ASN 20 HA ASN 20 -17.091 11.466 -11.199 173 HB2 ASN 20 1HB ASN 20 -14.495 11.284 -12.722 174 HB3 ASN 20 2HB ASN 20 -15.873 12.204 -13.314 175 HD21 ASN 20 2HD2 ASN 20 -16.576 14.013 -12.134 176 HD22 ASN 20 1HD2 ASN 20 -15.503 14.847 -11.054 177 H ASP 21 H ASP 21 -17.415 8.617 -11.269 178 HA ASP 21 HA ASP 21 -17.601 7.875 -14.050 179 HB2 ASP 21 1HB ASP 21 -18.370 5.734 -13.290 180 HB3 ASP 21 2HB ASP 21 -17.032 6.222 -12.260 181 H ARG 22 H ARG 22 -19.789 6.843 -14.740 182 HA ARG 22 HA ARG 22 -21.495 9.103 -14.955 183 HB2 ARG 22 1HB ARG 22 -21.954 6.266 -15.881 184 HB3 ARG 22 2HB ARG 22 -22.889 7.670 -16.381 185 HG2 ARG 22 1HG ARG 22 -20.784 8.654 -17.288 186 HG3 ARG 22 2HG ARG 22 -19.987 7.120 -16.940 187 HD2 ARG 22 1HD ARG 22 -21.617 5.979 -18.396 188 HD3 ARG 22 2HD ARG 22 -22.333 7.544 -18.784 189 HE ARG 22 HE ARG 22 -19.799 6.486 -19.734 190 HH11 ARG 22 1HH1 ARG 22 -21.884 9.272 -19.420 191 HH12 ARG 22 2HH1 ARG 22 -21.129 10.150 -20.707 192 HH21 ARG 22 1HH2 ARG 22 -18.793 7.640 -21.439 193 HH22 ARG 22 2HH2 ARG 22 -19.381 9.223 -21.864 194 H ARG 23 H ARG 23 -21.978 5.899 -13.450 195 HA ARG 23 HA ARG 23 -24.148 7.157 -11.905 196 HB2 ARG 23 1HB ARG 23 -23.999 4.257 -12.738 197 HB3 ARG 23 2HB ARG 23 -25.278 4.998 -11.786 198 HG2 ARG 23 1HG ARG 23 -25.566 6.557 -13.831 199 HG3 ARG 23 2HG ARG 23 -24.672 5.301 -14.693 200 HD2 ARG 23 1HD ARG 23 -27.010 4.857 -14.941 201 HD3 ARG 23 2HD ARG 23 -26.330 3.642 -13.857 202 HE ARG 23 HE ARG 23 -27.399 5.907 -12.455 203 HH11 ARG 23 1HH1 ARG 23 -28.225 2.857 -13.965 204 HH12 ARG 23 2HH1 ARG 23 -29.672 2.631 -13.030 205 HH21 ARG 23 1HH2 ARG 23 -29.291 5.619 -11.219 206 HH22 ARG 23 2HH2 ARG 23 -30.271 4.207 -11.452 207 H SER 24 H SER 24 -22.610 7.733 -10.326 208 HA SER 24 HA SER 24 -21.042 5.844 -8.926 209 HB2 SER 24 1HB SER 24 -22.119 8.478 -7.890 210 HB3 SER 24 2HB SER 24 -20.693 7.612 -7.315 211 HG SER 24 HG SER 24 -19.872 7.886 -9.539 212 H ARG 25 H ARG 25 -21.812 4.211 -7.770 213 HA ARG 25 HA ARG 25 -24.553 4.235 -6.853 214 HB2 ARG 25 1HB ARG 25 -22.448 2.100 -6.465 215 HB3 ARG 25 2HB ARG 25 -24.186 1.914 -6.256 216 HG2 ARG 25 1HG ARG 25 -24.470 2.442 -8.668 217 HG3 ARG 25 2HG ARG 25 -22.714 2.436 -8.828 218 HD2 ARG 25 1HD ARG 25 -23.406 0.300 -9.508 219 HD3 ARG 25 2HD ARG 25 -22.784 0.088 -7.872 220 HE ARG 25 HE ARG 25 -25.088 -0.016 -7.096 221 HH11 ARG 25 1HH1 ARG 25 -24.565 -0.284 -10.554 222 HH12 ARG 25 2HH1 ARG 25 -26.035 -1.172 -10.838 223 HH21 ARG 25 1HH2 ARG 25 -27.041 -1.174 -7.474 224 HH22 ARG 25 2HH2 ARG 25 -27.453 -1.653 -9.097 225 H GLN 26 H GLN 26 -25.246 4.143 -4.737 226 HA GLN 26 HA GLN 26 -23.495 5.592 -2.947 227 HB2 GLN 26 1HB GLN 26 -26.375 4.750 -2.606 228 HB3 GLN 26 2HB GLN 26 -25.494 5.842 -1.548 229 HG2 GLN 26 1HG GLN 26 -25.240 7.412 -3.424 230 HG3 GLN 26 2HG GLN 26 -26.189 6.325 -4.435 231 HE21 GLN 26 2HE2 GLN 26 -27.915 5.599 -2.153 232 HE22 GLN 26 1HE2 GLN 26 -28.982 6.938 -1.934 233 H GLN 27 H GLN 27 -22.541 4.830 -1.170 234 HA GLN 27 HA GLN 27 -22.615 2.046 -0.508 235 HB2 GLN 27 1HB GLN 27 -20.593 3.413 -0.176 236 HB3 GLN 27 2HB GLN 27 -21.448 4.400 1.000 237 HG2 GLN 27 1HG GLN 27 -21.669 2.474 2.473 238 HG3 GLN 27 2HG GLN 27 -20.842 1.465 1.287 239 HE21 GLN 27 2HE2 GLN 27 -19.202 0.956 2.735 240 HE22 GLN 27 1HE2 GLN 27 -17.973 2.101 3.169 241 H GLU 28 H GLU 28 -23.949 5.005 0.806 242 HA GLU 28 HA GLU 28 -25.585 3.492 2.707 243 HB2 GLU 28 1HB GLU 28 -25.061 6.461 2.418 244 HB3 GLU 28 2HB GLU 28 -26.157 5.762 3.602 245 HG2 GLU 28 1HG GLU 28 -23.275 4.957 3.468 246 HG3 GLU 28 2HG GLU 28 -23.798 6.386 4.357 247 H VAL 29 H VAL 29 -27.890 3.794 2.695 248 HA VAL 29 HA VAL 29 -28.918 3.846 0.024 249 HB VAL 29 HB VAL 29 -30.472 3.753 2.616 250 HG11 VAL 29 1HG1 VAL 29 -32.222 2.698 1.264 251 HG12 VAL 29 2HG1 VAL 29 -31.238 2.924 -0.182 252 HG13 VAL 29 3HG1 VAL 29 -31.854 4.325 0.694 253 HG21 VAL 29 3HG2 VAL 29 -29.407 1.496 0.921 254 HG22 VAL 29 1HG2 VAL 29 -30.479 1.318 2.310 255 HG23 VAL 29 2HG2 VAL 29 -28.847 1.948 2.531 256 H SER 30 H SER 30 -28.717 6.117 2.627 257 HA SER 30 HA SER 30 -30.689 7.951 1.857 258 HB2 SER 30 1HB SER 30 -28.047 8.557 3.206 259 HB3 SER 30 2HB SER 30 -29.529 9.512 3.297 260 HG SER 30 HG SER 30 -30.495 7.517 4.208 261 HA PRO 31 HA PRO 31 -29.082 9.523 -1.924 262 HB2 PRO 31 1HB PRO 31 -30.614 11.973 -1.462 263 HB3 PRO 31 2HB PRO 31 -30.865 10.707 -2.665 264 HG2 PRO 31 1HG PRO 31 -32.546 11.066 -0.591 265 HG3 PRO 31 2HG PRO 31 -32.209 9.463 -1.270 266 HD2 PRO 31 1HD PRO 31 -31.085 10.752 1.193 267 HD3 PRO 31 2HD PRO 31 -31.660 9.087 0.957 268 H ALA 32 H ALA 32 -27.145 9.881 -0.093 269 HA ALA 32 HA ALA 32 -25.892 12.264 -1.127 270 HB1 ALA 32 3HB ALA 32 -25.307 13.224 1.042 271 HB2 ALA 32 1HB ALA 32 -26.270 11.992 1.857 272 HB3 ALA 32 2HB ALA 32 -27.057 13.186 0.825 273 H GLY 33 H GLY 33 -25.686 9.214 -0.855 274 HA2 GLY 33 1HA GLY 33 -23.383 8.821 0.848 275 HA3 GLY 33 2HA GLY 33 -24.247 7.582 -0.046 276 H THR 34 H THR 34 -21.653 9.875 -0.094 277 HA THR 34 HA THR 34 -20.735 8.751 -2.648 278 HB THR 34 HB THR 34 -20.648 11.156 -2.678 279 HG1 THR 34 HG1 THR 34 -18.769 10.995 -3.633 280 HG21 THR 34 3HG2 THR 34 -19.003 10.985 -0.149 281 HG22 THR 34 1HG2 THR 34 -20.657 11.586 -0.272 282 HG23 THR 34 2HG2 THR 34 -19.341 12.457 -1.060 283 H SER 35 H SER 35 -18.916 7.502 -2.737 284 HA SER 35 HA SER 35 -17.977 6.538 -0.150 285 HB2 SER 35 1HB SER 35 -18.842 4.967 -1.954 286 HB3 SER 35 2HB SER 35 -17.381 5.345 -2.863 287 HG SER 35 HG SER 35 -17.694 3.554 -0.936 288 H MET 36 H MET 36 -16.577 8.212 0.410 289 HA MET 36 HA MET 36 -14.376 8.925 -1.295 290 HB2 MET 36 1HB MET 36 -14.863 9.503 1.635 291 HB3 MET 36 2HB MET 36 -13.543 10.175 0.686 292 HG2 MET 36 1HG MET 36 -15.209 11.235 -0.801 293 HG3 MET 36 2HG MET 36 -16.484 10.643 0.262 294 HE1 MET 36 3HE MET 36 -15.651 12.546 3.605 295 HE2 MET 36 1HE MET 36 -15.037 10.965 3.122 296 HE3 MET 36 2HE MET 36 -16.724 11.384 2.824 297 H ARG 37 H ARG 37 -13.362 7.024 -1.764 298 HA ARG 37 HA ARG 37 -12.444 5.304 0.392 299 HB2 ARG 37 1HB ARG 37 -12.194 5.029 -2.609 300 HB3 ARG 37 2HB ARG 37 -11.750 3.801 -1.431 301 HG2 ARG 37 1HG ARG 37 -14.013 3.501 -0.767 302 HG3 ARG 37 2HG ARG 37 -14.531 4.912 -1.692 303 HD2 ARG 37 1HD ARG 37 -13.971 3.793 -3.764 304 HD3 ARG 37 2HD ARG 37 -13.344 2.407 -2.875 305 HE ARG 37 HE ARG 37 -16.041 2.902 -2.164 306 HH11 ARG 37 1HH1 ARG 37 -14.134 1.746 -4.864 307 HH12 ARG 37 2HH1 ARG 37 -15.312 0.569 -5.365 308 HH21 ARG 37 1HH2 ARG 37 -17.630 1.402 -2.855 309 HH22 ARG 37 2HH2 ARG 37 -17.320 0.397 -4.244 310 H TYR 38 H TYR 38 -10.441 5.295 1.164 311 HA TYR 38 HA TYR 38 -8.543 7.206 0.062 312 HB2 TYR 38 1HB TYR 38 -8.354 5.583 2.609 313 HB3 TYR 38 2HB TYR 38 -7.348 6.957 2.158 314 HD1 TYR 38 HD2 TYR 38 -8.747 9.169 1.622 315 HD2 TYR 38 HD1 TYR 38 -10.092 5.966 4.077 316 HE1 TYR 38 HE2 TYR 38 -10.327 10.691 2.731 317 HE2 TYR 38 HE1 TYR 38 -11.678 7.480 5.192 318 HH TYR 38 HH TYR 38 -11.904 9.922 5.609 319 H GLU 39 H GLU 39 -6.814 6.620 -1.084 320 HA GLU 39 HA GLU 39 -6.118 3.765 -1.157 321 HB2 GLU 39 1HB GLU 39 -5.601 5.865 -3.270 322 HB3 GLU 39 2HB GLU 39 -5.253 4.147 -3.402 323 HG2 GLU 39 1HG GLU 39 -7.688 3.700 -3.197 324 HG3 GLU 39 2HG GLU 39 -7.963 5.442 -3.241 325 H ALA 40 H ALA 40 -3.809 3.294 -1.487 326 HA ALA 40 HA ALA 40 -2.115 5.347 -0.209 327 HB1 ALA 40 3HB ALA 40 -0.872 3.557 0.874 328 HB2 ALA 40 1HB ALA 40 -1.922 2.357 0.122 329 HB3 ALA 40 2HB ALA 40 -2.580 3.484 1.308 330 H SER 41 H SER 41 -0.147 5.755 -1.089 331 HA SER 41 HA SER 41 0.380 4.517 -3.683 332 HB2 SER 41 1HB SER 41 1.772 6.860 -2.365 333 HB3 SER 41 2HB SER 41 1.894 6.372 -4.056 334 HG SER 41 HG SER 41 0.112 7.990 -2.924 335 H PHE 42 H PHE 42 1.615 2.774 -3.698 336 HA PHE 42 HA PHE 42 3.750 2.505 -1.694 337 HB2 PHE 42 1HB PHE 42 2.597 0.421 -3.571 338 HB3 PHE 42 2HB PHE 42 3.775 0.129 -2.297 339 HD1 PHE 42 HD2 PHE 42 3.091 0.311 0.075 340 HD2 PHE 42 HD1 PHE 42 0.279 0.560 -3.110 341 HE1 PHE 42 HE2 PHE 42 1.262 -0.134 1.658 342 HE2 PHE 42 HE1 PHE 42 -1.554 0.114 -1.532 343 HZ PHE 42 HZ PHE 42 -1.064 -0.234 0.856 344 H LYS 43 H LYS 43 5.572 3.350 -2.369 345 HA LYS 43 HA LYS 43 6.333 3.182 -5.187 346 HB2 LYS 43 1HB LYS 43 6.514 5.349 -4.011 347 HB3 LYS 43 2HB LYS 43 7.640 4.626 -2.872 348 HG2 LYS 43 1HG LYS 43 9.257 4.277 -4.636 349 HG3 LYS 43 2HG LYS 43 8.114 4.898 -5.833 350 HD2 LYS 43 1HD LYS 43 8.099 7.062 -4.683 351 HD3 LYS 43 2HD LYS 43 9.252 6.440 -3.503 352 HE2 LYS 43 1HE LYS 43 10.904 6.123 -5.258 353 HE3 LYS 43 2HE LYS 43 9.746 6.680 -6.468 354 HZ1 LYS 43 3HZ LYS 43 11.301 8.425 -5.812 355 HZ2 LYS 43 1HZ LYS 43 10.773 8.306 -4.202 356 HZ3 LYS 43 2HZ LYS 43 9.704 8.837 -5.407 357 HA PRO 44 HA PRO 44 8.685 -0.412 -3.871 358 HB2 PRO 44 1HB PRO 44 9.313 -1.274 -6.356 359 HB3 PRO 44 2HB PRO 44 7.719 -1.525 -5.637 360 HG2 PRO 44 1HG PRO 44 8.601 0.520 -7.626 361 HG3 PRO 44 2HG PRO 44 7.089 -0.403 -7.561 362 HD2 PRO 44 1HD PRO 44 7.327 2.189 -6.719 363 HD3 PRO 44 2HD PRO 44 6.124 1.051 -6.080 364 H LEU 45 H LEU 45 10.807 -0.659 -3.454 365 HA LEU 45 HA LEU 45 12.634 1.395 -4.185 366 HB2 LEU 45 1HB LEU 45 13.113 -1.277 -2.862 367 HB3 LEU 45 2HB LEU 45 14.300 0.010 -2.982 368 HG LEU 45 HG LEU 45 11.660 0.280 -1.542 369 HD11 LEU 45 1HD1 LEU 45 13.067 -1.377 -0.441 370 HD12 LEU 45 2HD1 LEU 45 12.946 0.099 0.517 371 HD13 LEU 45 3HD1 LEU 45 14.407 -0.230 -0.415 372 HD21 LEU 45 3HD2 LEU 45 12.589 2.386 -2.353 373 HD22 LEU 45 1HD2 LEU 45 14.124 2.019 -1.566 374 HD23 LEU 45 2HD2 LEU 45 12.677 2.288 -0.594 375 H ASN 46 H ASN 46 11.947 -1.813 -5.358 376 HA ASN 46 HA ASN 46 13.464 -1.144 -7.758 377 HB2 ASN 46 1HB ASN 46 14.943 -2.605 -6.395 378 HB3 ASN 46 2HB ASN 46 13.688 -3.840 -6.395 379 HD21 ASN 46 2HD2 ASN 46 14.942 -5.346 -7.456 380 HD22 ASN 46 1HD2 ASN 46 15.372 -5.199 -9.122 381 H GLY 47 H GLY 47 11.345 -0.715 -8.577 382 HA2 GLY 47 1HA GLY 47 10.182 -3.078 -9.768 383 HA3 GLY 47 2HA GLY 47 9.138 -2.312 -8.583 384 H GLY 48 H GLY 48 9.734 0.382 -9.100 385 HA2 GLY 48 1HA GLY 48 9.747 1.487 -11.492 386 HA3 GLY 48 2HA GLY 48 8.204 0.650 -11.574 387 H LEU 49 H LEU 49 6.793 2.291 -11.560 388 HA LEU 49 HA LEU 49 7.235 4.657 -9.986 389 HB2 LEU 49 1HB LEU 49 6.213 4.657 -12.255 390 HB3 LEU 49 2HB LEU 49 4.813 3.840 -11.593 391 HG LEU 49 HG LEU 49 4.383 5.801 -10.142 392 HD11 LEU 49 1HD1 LEU 49 5.568 7.889 -10.567 393 HD12 LEU 49 2HD1 LEU 49 6.635 7.060 -11.701 394 HD13 LEU 49 3HD1 LEU 49 6.670 6.638 -9.989 395 HD21 LEU 49 3HD2 LEU 49 3.590 7.277 -11.921 396 HD22 LEU 49 1HD2 LEU 49 3.255 5.585 -12.292 397 HD23 LEU 49 2HD2 LEU 49 4.593 6.414 -13.087 398 H GLU 50 H GLU 50 5.536 5.559 -8.587 399 HA GLU 50 HA GLU 50 4.858 3.866 -6.445 400 HB2 GLU 50 1HB GLU 50 3.573 6.519 -7.112 401 HB3 GLU 50 2HB GLU 50 3.692 5.764 -5.529 402 HG2 GLU 50 1HG GLU 50 6.092 6.085 -5.526 403 HG3 GLU 50 2HG GLU 50 6.019 6.773 -7.149 404 H LYS 51 H LYS 51 3.270 2.417 -6.336 405 HA LYS 51 HA LYS 51 1.006 2.680 -8.180 406 HB2 LYS 51 1HB LYS 51 2.123 0.333 -6.657 407 HB3 LYS 51 2HB LYS 51 0.555 0.278 -7.453 408 HG2 LYS 51 1HG LYS 51 1.589 0.702 -9.597 409 HG3 LYS 51 2HG LYS 51 3.168 0.870 -8.827 410 HD2 LYS 51 1HD LYS 51 1.500 -1.636 -8.684 411 HD3 LYS 51 2HD LYS 51 2.734 -1.356 -9.912 412 HE2 LYS 51 1HE LYS 51 3.167 -1.425 -6.929 413 HE3 LYS 51 2HE LYS 51 3.620 -2.685 -8.075 414 HZ1 LYS 51 3HZ LYS 51 5.549 -1.421 -7.623 415 HZ2 LYS 51 1HZ LYS 51 4.746 0.051 -7.877 416 HZ3 LYS 51 2HZ LYS 51 5.052 -0.982 -9.180 417 H THR 52 H THR 52 -0.666 3.701 -7.373 418 HA THR 52 HA THR 52 -1.186 3.660 -4.509 419 HB THR 52 HB THR 52 -2.613 5.221 -6.676 420 HG1 THR 52 HG1 THR 52 -0.676 6.288 -4.893 421 HG21 THR 52 3HG2 THR 52 -2.508 5.589 -3.680 422 HG22 THR 52 1HG2 THR 52 -3.893 5.008 -4.604 423 HG23 THR 52 2HG2 THR 52 -3.319 6.663 -4.820 424 H PHE 53 H PHE 53 -2.304 1.929 -3.833 425 HA PHE 53 HA PHE 53 -4.481 0.890 -5.520 426 HB2 PHE 53 1HB PHE 53 -2.987 -0.424 -3.241 427 HB3 PHE 53 2HB PHE 53 -4.323 -1.158 -4.121 428 HD1 PHE 53 HD1 PHE 53 -3.944 -1.025 -6.801 429 HD2 PHE 53 HD2 PHE 53 -0.895 -1.122 -3.833 430 HE1 PHE 53 HE1 PHE 53 -2.366 -1.930 -8.458 431 HE2 PHE 53 HE2 PHE 53 0.688 -2.024 -5.485 432 HZ PHE 53 HZ PHE 53 -0.046 -2.430 -7.800 433 H ARG 54 H ARG 54 -6.484 0.299 -4.532 434 HA ARG 54 HA ARG 54 -7.386 2.339 -2.739 435 HB2 ARG 54 1HB ARG 54 -8.753 1.525 -4.633 436 HB3 ARG 54 2HB ARG 54 -8.888 -0.041 -3.843 437 HG2 ARG 54 1HG ARG 54 -10.009 1.053 -1.938 438 HG3 ARG 54 2HG ARG 54 -9.943 2.583 -2.812 439 HD2 ARG 54 1HD ARG 54 -12.115 1.655 -3.124 440 HD3 ARG 54 2HD ARG 54 -11.240 1.509 -4.646 441 HE ARG 54 HE ARG 54 -11.244 -0.796 -4.425 442 HH11 ARG 54 1HH1 ARG 54 -12.391 0.691 -1.473 443 HH12 ARG 54 2HH1 ARG 54 -13.126 -0.757 -0.856 444 HH21 ARG 54 1HH2 ARG 54 -12.235 -2.721 -3.632 445 HH22 ARG 54 2HH2 ARG 54 -13.051 -2.692 -2.098 446 H LEU 55 H LEU 55 -7.824 2.237 -0.629 447 HA LEU 55 HA LEU 55 -7.745 -0.393 0.693 448 HB2 LEU 55 1HB LEU 55 -6.616 2.239 1.649 449 HB3 LEU 55 2HB LEU 55 -6.798 0.829 2.675 450 HG LEU 55 HG LEU 55 -5.025 1.038 0.240 451 HD11 LEU 55 1HD1 LEU 55 -4.191 2.276 2.168 452 HD12 LEU 55 2HD1 LEU 55 -3.205 0.848 1.857 453 HD13 LEU 55 3HD1 LEU 55 -4.374 0.841 3.177 454 HD21 LEU 55 3HD2 LEU 55 -5.938 -1.210 0.479 455 HD22 LEU 55 1HD2 LEU 55 -5.429 -1.245 2.168 456 HD23 LEU 55 2HD2 LEU 55 -4.221 -1.181 0.884 457 H GLN 56 H GLN 56 -8.838 -0.354 2.848 458 HA GLN 56 HA GLN 56 -11.314 1.168 2.786 459 HB2 GLN 56 1HB GLN 56 -10.270 -0.728 4.905 460 HB3 GLN 56 2HB GLN 56 -11.906 -0.101 4.788 461 HG2 GLN 56 1HG GLN 56 -12.281 -1.342 2.759 462 HG3 GLN 56 2HG GLN 56 -10.604 -1.891 2.749 463 HE21 GLN 56 2HE2 GLN 56 -13.036 -3.474 2.807 464 HE22 GLN 56 1HE2 GLN 56 -12.959 -4.431 4.249 465 H ALA 57 H ALA 57 -11.968 2.248 4.934 466 HA ALA 57 HA ALA 57 -9.975 4.154 5.685 467 HB1 ALA 57 3HB ALA 57 -12.353 4.736 5.669 468 HB2 ALA 57 1HB ALA 57 -11.650 4.983 7.267 469 HB3 ALA 57 2HB ALA 57 -12.652 3.566 6.954 470 H GLN 58 H GLN 58 -11.331 1.232 7.062 471 HA GLN 58 HA GLN 58 -9.916 1.373 9.531 472 HB2 GLN 58 1HB GLN 58 -11.094 -1.045 8.145 473 HB3 GLN 58 2HB GLN 58 -10.629 -0.944 9.839 474 HG2 GLN 58 1HG GLN 58 -12.329 0.784 10.195 475 HG3 GLN 58 2HG GLN 58 -12.805 0.653 8.504 476 HE21 GLN 58 2HE2 GLN 58 -14.386 0.226 10.890 477 HE22 GLN 58 1HE2 GLN 58 -14.985 -1.397 10.800 478 H GLN 59 H GLN 59 -9.266 -0.076 6.381 479 HA GLN 59 HA GLN 59 -6.883 -1.420 7.148 480 HB2 GLN 59 1HB GLN 59 -7.915 -0.496 4.470 481 HB3 GLN 59 2HB GLN 59 -6.381 -1.335 4.652 482 HG2 GLN 59 1HG GLN 59 -7.548 -3.251 5.620 483 HG3 GLN 59 2HG GLN 59 -9.085 -2.408 5.422 484 HE21 GLN 59 2HE2 GLN 59 -8.163 -4.939 4.293 485 HE22 GLN 59 1HE2 GLN 59 -8.297 -4.772 2.579 486 H TYR 60 H TYR 60 -7.618 1.813 6.020 487 HA TYR 60 HA TYR 60 -4.987 2.739 5.663 488 HB2 TYR 60 1HB TYR 60 -6.917 3.981 4.846 489 HB3 TYR 60 2HB TYR 60 -7.494 4.220 6.491 490 HD1 TYR 60 HD1 TYR 60 -4.265 4.775 4.666 491 HD2 TYR 60 HD2 TYR 60 -7.250 6.363 7.250 492 HE1 TYR 60 HE1 TYR 60 -3.032 6.900 4.777 493 HE2 TYR 60 HE2 TYR 60 -6.024 8.488 7.371 494 HH TYR 60 HH TYR 60 -3.837 9.378 7.038 495 H HIS 61 H HIS 61 -7.042 2.461 8.507 496 HA HIS 61 HA HIS 61 -5.326 3.773 10.330 497 HB2 HIS 61 1HB HIS 61 -7.675 3.301 10.856 498 HB3 HIS 61 2HB HIS 61 -7.352 1.572 10.820 499 HD1 HIS 61 HD1 HIS 61 -7.731 0.910 13.204 500 HD2 HIS 61 HD2 HIS 61 -5.300 4.273 12.868 501 HE1 HIS 61 HE1 HIS 61 -6.909 1.391 15.528 502 HE2 HIS 61 HE2 HIS 61 -5.583 3.521 15.331 503 H ALA 62 H ALA 62 -5.212 0.668 8.835 504 HA ALA 62 HA ALA 62 -3.192 -0.295 10.730 505 HB1 ALA 62 3HB ALA 62 -4.583 -1.751 8.482 506 HB2 ALA 62 1HB ALA 62 -5.024 -1.825 10.187 507 HB3 ALA 62 2HB ALA 62 -3.471 -2.466 9.650 508 H LEU 63 H LEU 63 -3.053 1.728 8.341 509 HA LEU 63 HA LEU 63 -0.806 0.490 6.911 510 HB2 LEU 63 1HB LEU 63 -2.626 1.445 5.549 511 HB3 LEU 63 2HB LEU 63 -2.357 3.008 6.297 512 HG LEU 63 HG LEU 63 0.002 2.901 5.357 513 HD11 LEU 63 1HD1 LEU 63 0.068 0.516 4.890 514 HD12 LEU 63 2HD1 LEU 63 0.333 1.454 3.421 515 HD13 LEU 63 3HD1 LEU 63 -1.234 0.698 3.715 516 HD21 LEU 63 3HD2 LEU 63 -1.730 4.334 4.434 517 HD22 LEU 63 1HD2 LEU 63 -2.319 2.999 3.443 518 HD23 LEU 63 2HD2 LEU 63 -0.712 3.666 3.157 519 H THR 64 H THR 64 1.216 1.514 6.831 520 HA THR 64 HA THR 64 1.564 3.722 8.749 521 HB THR 64 HB THR 64 3.806 1.817 8.244 522 HG1 THR 64 HG1 THR 64 1.407 1.251 9.614 523 HG21 THR 64 3HG2 THR 64 2.824 3.303 10.688 524 HG22 THR 64 1HG2 THR 64 4.143 3.811 9.634 525 HG23 THR 64 2HG2 THR 64 4.298 2.339 10.594 526 H VAL 65 H VAL 65 1.694 5.417 7.328 527 HA VAL 65 HA VAL 65 3.109 5.320 4.865 528 HB VAL 65 HB VAL 65 1.993 7.601 6.487 529 HG11 VAL 65 1HG1 VAL 65 3.445 7.809 3.848 530 HG12 VAL 65 2HG1 VAL 65 4.006 8.452 5.392 531 HG13 VAL 65 3HG1 VAL 65 2.553 9.109 4.638 532 HG21 VAL 65 3HG2 VAL 65 0.440 6.145 5.254 533 HG22 VAL 65 1HG2 VAL 65 1.310 6.506 3.762 534 HG23 VAL 65 2HG2 VAL 65 0.451 7.790 4.616 535 H GLY 66 H GLY 66 5.180 5.634 4.415 536 HA2 GLY 66 1HA GLY 66 7.339 6.521 4.682 537 HA3 GLY 66 2HA GLY 66 6.926 6.979 6.330 538 H ASP 67 H ASP 67 5.782 4.137 6.615 539 HA ASP 67 HA ASP 67 8.259 3.055 7.650 540 HB2 ASP 67 1HB ASP 67 6.039 2.922 8.876 541 HB3 ASP 67 2HB ASP 67 5.553 1.714 7.690 542 H GLN 68 H GLN 68 9.438 2.600 5.835 543 HA GLN 68 HA GLN 68 8.650 1.132 3.611 544 HB2 GLN 68 1HB GLN 68 11.361 0.979 4.945 545 HB3 GLN 68 2HB GLN 68 10.996 0.647 3.257 546 HG2 GLN 68 1HG GLN 68 10.326 3.018 2.990 547 HG3 GLN 68 2HG GLN 68 10.853 3.311 4.646 548 HE21 GLN 68 2HE2 GLN 68 11.826 4.462 2.163 549 HE22 GLN 68 1HE2 GLN 68 13.517 4.097 2.085 550 H GLY 69 H GLY 69 8.052 -0.931 3.337 551 HA2 GLY 69 1HA GLY 69 8.982 -3.020 5.090 552 HA3 GLY 69 2HA GLY 69 7.309 -2.563 5.368 553 H THR 70 H THR 70 7.020 -4.866 4.781 554 HA THR 70 HA THR 70 7.596 -5.540 2.006 555 HB THR 70 HB THR 70 6.470 -7.314 4.179 556 HG1 THR 70 HG1 THR 70 8.625 -7.906 4.564 557 HG21 THR 70 3HG2 THR 70 7.898 -7.955 1.592 558 HG22 THR 70 1HG2 THR 70 6.174 -8.170 1.899 559 HG23 THR 70 2HG2 THR 70 7.355 -9.132 2.789 560 H LEU 71 H LEU 71 6.105 -5.790 0.457 561 HA LEU 71 HA LEU 71 3.270 -5.574 1.225 562 HB2 LEU 71 1HB LEU 71 4.090 -3.623 -0.028 563 HB3 LEU 71 2HB LEU 71 4.634 -4.675 -1.319 564 HG LEU 71 HG LEU 71 2.262 -5.341 -1.707 565 HD11 LEU 71 1HD1 LEU 71 0.492 -3.957 -0.744 566 HD12 LEU 71 2HD1 LEU 71 1.687 -3.132 0.259 567 HD13 LEU 71 3HD1 LEU 71 1.370 -4.851 0.497 568 HD21 LEU 71 3HD2 LEU 71 1.618 -3.255 -2.813 569 HD22 LEU 71 1HD2 LEU 71 3.321 -3.628 -3.078 570 HD23 LEU 71 2HD2 LEU 71 2.861 -2.392 -1.907 571 H SER 72 H SER 72 2.229 -7.407 0.981 572 HA SER 72 HA SER 72 3.153 -9.393 -0.952 573 HB2 SER 72 1HB SER 72 1.326 -10.784 0.206 574 HB3 SER 72 2HB SER 72 2.753 -10.371 1.155 575 HG SER 72 HG SER 72 0.633 -8.576 1.250 576 H TYR 73 H TYR 73 2.368 -9.229 -2.935 577 HA TYR 73 HA TYR 73 -0.479 -8.617 -3.262 578 HB2 TYR 73 1HB TYR 73 0.103 -7.184 -5.239 579 HB3 TYR 73 2HB TYR 73 0.581 -6.510 -3.687 580 HD1 TYR 73 HD2 TYR 73 1.789 -7.977 -6.834 581 HD2 TYR 73 HD1 TYR 73 2.916 -6.254 -3.111 582 HE1 TYR 73 HE2 TYR 73 4.089 -7.707 -7.658 583 HE2 TYR 73 HE1 TYR 73 5.217 -5.976 -3.927 584 HH TYR 73 HH TYR 73 6.061 -6.366 -7.224 585 H LYS 74 H LYS 74 -1.439 -9.443 -5.116 586 HA LYS 74 HA LYS 74 0.195 -11.350 -6.655 587 HB2 LYS 74 1HB LYS 74 -2.723 -11.551 -5.879 588 HB3 LYS 74 2HB LYS 74 -1.931 -12.625 -7.024 589 HG2 LYS 74 1HG LYS 74 -0.425 -13.405 -5.288 590 HG3 LYS 74 2HG LYS 74 -1.156 -12.289 -4.134 591 HD2 LYS 74 1HD LYS 74 -3.295 -13.444 -4.359 592 HD3 LYS 74 2HD LYS 74 -2.583 -14.547 -5.539 593 HE2 LYS 74 1HE LYS 74 -1.043 -15.386 -3.858 594 HE3 LYS 74 2HE LYS 74 -1.675 -14.240 -2.678 595 HZ1 LYS 74 3HZ LYS 74 -3.234 -16.424 -3.958 596 HZ2 LYS 74 1HZ LYS 74 -3.816 -15.336 -2.792 597 HZ3 LYS 74 2HZ LYS 74 -2.606 -16.455 -2.383 598 H GLY 75 H GLY 75 0.707 -10.058 -8.337 599 HA2 GLY 75 1HA GLY 75 0.348 -8.996 -10.369 600 HA3 GLY 75 2HA GLY 75 -1.384 -9.215 -10.139 601 H THR 76 H THR 76 -2.485 -7.399 -9.853 602 HA THR 76 HA THR 76 -1.134 -5.138 -8.540 603 HB THR 76 HB THR 76 -2.983 -3.753 -9.557 604 HG1 THR 76 HG1 THR 76 -4.561 -4.948 -10.320 605 HG21 THR 76 3HG2 THR 76 -1.979 -3.693 -11.791 606 HG22 THR 76 1HG2 THR 76 -1.196 -5.244 -11.483 607 HG23 THR 76 2HG2 THR 76 -0.741 -3.825 -10.540 608 H ARG 77 H ARG 77 -2.900 -7.624 -7.680 609 HA ARG 77 HA ARG 77 -4.995 -6.241 -6.226 610 HB2 ARG 77 1HB ARG 77 -5.684 -8.300 -7.196 611 HB3 ARG 77 2HB ARG 77 -4.297 -9.157 -6.536 612 HG2 ARG 77 1HG ARG 77 -5.178 -9.094 -4.345 613 HG3 ARG 77 2HG ARG 77 -6.408 -7.911 -4.796 614 HD2 ARG 77 1HD ARG 77 -6.283 -10.656 -6.014 615 HD3 ARG 77 2HD ARG 77 -7.170 -10.323 -4.526 616 HE ARG 77 HE ARG 77 -8.444 -8.647 -5.888 617 HH11 ARG 77 1HH1 ARG 77 -6.868 -11.364 -7.436 618 HH12 ARG 77 2HH1 ARG 77 -8.023 -11.464 -8.731 619 HH21 ARG 77 1HH2 ARG 77 -9.973 -8.773 -7.584 620 HH22 ARG 77 2HH2 ARG 77 -9.783 -9.979 -8.827 621 H PHE 78 H PHE 78 -4.645 -5.386 -4.365 622 HA PHE 78 HA PHE 78 -2.374 -5.860 -2.734 623 HB2 PHE 78 1HB PHE 78 -3.504 -3.700 -2.767 624 HB3 PHE 78 2HB PHE 78 -4.993 -4.435 -2.195 625 HD1 PHE 78 HD1 PHE 78 -1.609 -3.376 -1.260 626 HD2 PHE 78 HD2 PHE 78 -5.317 -4.942 0.123 627 HE1 PHE 78 HE1 PHE 78 -0.955 -2.875 1.057 628 HE2 PHE 78 HE2 PHE 78 -4.667 -4.446 2.443 629 HZ PHE 78 HZ PHE 78 -2.484 -3.409 2.911 630 H VAL 79 H VAL 79 -2.090 -7.724 -1.653 631 HA VAL 79 HA VAL 79 -4.405 -9.149 -0.590 632 HB VAL 79 HB VAL 79 -1.475 -9.911 -0.497 633 HG11 VAL 79 1HG1 VAL 79 -2.774 -10.977 1.266 634 HG12 VAL 79 2HG1 VAL 79 -2.294 -12.156 0.044 635 HG13 VAL 79 3HG1 VAL 79 -3.947 -11.542 0.078 636 HG21 VAL 79 3HG2 VAL 79 -3.659 -10.816 -2.371 637 HG22 VAL 79 1HG2 VAL 79 -2.026 -11.478 -2.304 638 HG23 VAL 79 2HG2 VAL 79 -2.279 -9.801 -2.789 639 H GLY 80 H GLY 80 -1.498 -7.480 0.480 640 HA2 GLY 80 1HA GLY 80 -2.639 -6.434 2.791 641 HA3 GLY 80 2HA GLY 80 -1.832 -7.928 3.249 642 H PHE 81 H PHE 81 -1.231 -5.123 3.944 643 HA PHE 81 HA PHE 81 1.495 -4.983 2.858 644 HB2 PHE 81 1HB PHE 81 0.226 -2.931 2.488 645 HB3 PHE 81 2HB PHE 81 -0.166 -2.835 4.202 646 HD1 PHE 81 HD1 PHE 81 2.926 -3.245 2.137 647 HD2 PHE 81 HD2 PHE 81 0.991 -1.246 5.356 648 HE1 PHE 81 HE1 PHE 81 4.958 -1.915 2.526 649 HE2 PHE 81 HE2 PHE 81 3.016 0.091 5.750 650 HZ PHE 81 HZ PHE 81 5.008 -0.247 4.337 651 H VAL 82 H VAL 82 3.023 -5.725 4.121 652 HA VAL 82 HA VAL 82 2.494 -5.963 6.996 653 HB VAL 82 HB VAL 82 4.656 -7.322 5.374 654 HG11 VAL 82 1HG1 VAL 82 3.682 -7.799 8.189 655 HG12 VAL 82 2HG1 VAL 82 5.228 -7.089 7.724 656 HG13 VAL 82 3HG1 VAL 82 4.880 -8.776 7.339 657 HG21 VAL 82 3HG2 VAL 82 2.460 -8.083 4.651 658 HG22 VAL 82 1HG2 VAL 82 2.007 -8.411 6.324 659 HG23 VAL 82 2HG2 VAL 82 3.289 -9.351 5.558 660 H SER 83 H SER 83 3.039 -3.953 7.721 661 HA SER 83 HA SER 83 5.344 -2.509 7.009 662 HB2 SER 83 1HB SER 83 3.899 -2.415 9.668 663 HB3 SER 83 2HB SER 83 4.840 -1.128 8.917 664 HG SER 83 HG SER 83 2.787 -0.614 8.440 665 H ARG 84 H ARG 84 6.995 -1.929 8.871 666 HA ARG 84 HA ARG 84 8.433 -4.298 9.509 667 HB2 ARG 84 1HB ARG 84 8.765 -1.423 10.348 668 HB3 ARG 84 2HB ARG 84 9.840 -2.698 10.911 669 HG2 ARG 84 1HG ARG 84 10.515 -3.196 8.654 670 HG3 ARG 84 2HG ARG 84 9.345 -2.042 8.015 671 HD2 ARG 84 1HD ARG 84 11.655 -1.332 9.817 672 HD3 ARG 84 2HD ARG 84 11.668 -1.179 8.060 673 HE ARG 84 HE ARG 84 9.516 0.206 9.434 674 HH11 ARG 84 1HH1 ARG 84 12.699 0.424 7.980 675 HH12 ARG 84 2HH1 ARG 84 12.657 2.151 7.861 676 HH21 ARG 84 1HH2 ARG 84 9.449 2.450 9.249 677 HH22 ARG 84 2HH2 ARG 84 10.795 3.313 8.551 678 H THR 85 H THR 85 5.845 -2.725 11.016 679 HA THR 85 HA THR 85 6.227 -3.926 13.611 680 HB THR 85 HB THR 85 3.704 -3.237 13.760 681 HG1 THR 85 HG1 THR 85 3.277 -2.776 11.630 682 HG21 THR 85 3HG2 THR 85 5.520 -2.111 14.957 683 HG22 THR 85 1HG2 THR 85 4.349 -0.945 14.341 684 HG23 THR 85 2HG2 THR 85 5.890 -1.168 13.513 685 HA PRO 86 HA PRO 86 4.695 -7.947 12.698 686 HB2 PRO 86 1HB PRO 86 3.206 -7.842 15.259 687 HB3 PRO 86 2HB PRO 86 4.451 -8.976 14.724 688 HG2 PRO 86 1HG PRO 86 4.999 -7.117 16.551 689 HG3 PRO 86 2HG PRO 86 6.186 -7.551 15.307 690 HD2 PRO 86 1HD PRO 86 4.372 -5.171 15.447 691 HD3 PRO 86 2HD PRO 86 6.077 -5.261 14.953 692 H ASP 87 H ASP 87 2.922 -9.045 11.944 693 HA ASP 87 HA ASP 87 0.687 -7.507 11.114 694 HB2 ASP 87 1HB ASP 87 1.405 -9.280 9.683 695 HB3 ASP 87 2HB ASP 87 1.287 -10.463 10.980 696 H ASN 88 H ASN 88 -1.219 -7.215 11.990 697 HA ASN 88 HA ASN 88 -2.903 -7.144 13.493 698 HB2 ASN 88 1HB ASN 88 -3.168 -9.514 12.588 699 HB3 ASN 88 2HB ASN 88 -2.370 -10.059 14.061 700 HD21 ASN 88 2HD2 ASN 88 -4.615 -7.363 13.736 701 HD22 ASN 88 1HD2 ASN 88 -5.844 -8.038 14.747 702 H GLU 89 H GLU 89 -0.815 -6.030 14.540 703 HA GLU 89 HA GLU 89 0.127 -7.083 16.981 704 HB2 GLU 89 1HB GLU 89 1.283 -5.270 15.835 705 HB3 GLU 89 2HB GLU 89 -0.116 -4.225 16.024 706 HG2 GLU 89 1HG GLU 89 1.584 -3.616 17.608 707 HG3 GLU 89 2HG GLU 89 0.190 -4.281 18.457 708 H LEU 90 H LEU 90 -2.347 -4.642 16.313 709 HA LEU 90 HA LEU 90 -3.202 -4.555 19.047 710 HB2 LEU 90 1HB LEU 90 -4.433 -3.363 16.563 711 HB3 LEU 90 2HB LEU 90 -4.946 -3.021 18.205 712 HG LEU 90 HG LEU 90 -2.240 -2.361 17.038 713 HD11 LEU 90 1HD1 LEU 90 -4.573 -0.594 17.758 714 HD12 LEU 90 2HD1 LEU 90 -4.018 -0.971 16.128 715 HD13 LEU 90 3HD1 LEU 90 -2.988 -0.041 17.217 716 HD21 LEU 90 3HD2 LEU 90 -1.884 -1.135 19.129 717 HD22 LEU 90 1HD2 LEU 90 -2.105 -2.861 19.418 718 HD23 LEU 90 2HD2 LEU 90 -3.425 -1.736 19.741 719 H GLU 91 H GLU 91 -4.709 -5.724 19.996 720 HA GLU 91 HA GLU 91 -6.200 -7.676 18.438 721 HB2 GLU 91 1HB GLU 91 -5.033 -8.378 20.508 722 HB3 GLU 91 2HB GLU 91 -6.035 -7.270 21.435 723 HG2 GLU 91 1HG GLU 91 -8.032 -8.548 20.631 724 HG3 GLU 91 2HG GLU 91 -6.915 -9.728 19.948 725 H HIS 92 H HIS 92 -8.398 -7.680 18.214 726 HA HIS 92 HA HIS 92 -9.783 -5.237 19.024 727 HB2 HIS 92 1HB HIS 92 -10.565 -7.467 17.137 728 HB3 HIS 92 2HB HIS 92 -11.636 -6.138 17.566 729 HD1 HIS 92 HD1 HIS 92 -11.606 -4.289 15.916 730 HD2 HIS 92 HD2 HIS 92 -7.979 -6.329 16.029 731 HE1 HIS 92 HE1 HIS 92 -10.156 -3.202 14.171 732 HE2 HIS 92 HE2 HIS 92 -7.987 -4.489 14.212 733 H HIS 93 H HIS 93 -12.195 -5.656 19.682 734 HA HIS 93 HA HIS 93 -11.863 -7.168 22.141 735 HB2 HIS 93 1HB HIS 93 -12.761 -4.785 22.003 736 HB3 HIS 93 2HB HIS 93 -14.248 -5.489 21.377 737 HD1 HIS 93 HD1 HIS 93 -12.007 -5.988 24.425 738 HD2 HIS 93 HD2 HIS 93 -16.030 -6.004 23.348 739 HE1 HIS 93 HE1 HIS 93 -13.283 -6.381 26.557 740 HE2 HIS 93 HE2 HIS 93 -15.712 -6.310 25.903 741 H HIS 94 H HIS 94 -12.747 -8.133 19.220 742 HA HIS 94 HA HIS 94 -14.904 -9.872 20.222 743 HB2 HIS 94 1HB HIS 94 -14.138 -9.240 17.360 744 HB3 HIS 94 2HB HIS 94 -15.420 -10.344 17.845 745 HD1 HIS 94 HD1 HIS 94 -15.205 -7.207 16.463 746 HD2 HIS 94 HD2 HIS 94 -17.171 -8.628 19.842 747 HE1 HIS 94 HE1 HIS 94 -17.035 -5.545 16.934 748 HE2 HIS 94 HE2 HIS 94 -18.320 -6.522 18.871 749 H HIS 95 H HIS 95 -12.252 -10.085 17.843 750 HA HIS 95 HA HIS 95 -11.889 -12.904 18.503 751 HB2 HIS 95 1HB HIS 95 -10.436 -11.174 16.482 752 HB3 HIS 95 2HB HIS 95 -10.279 -12.918 16.640 753 HD1 HIS 95 HD1 HIS 95 -11.002 -12.361 13.958 754 HD2 HIS 95 HD2 HIS 95 -13.937 -12.317 16.906 755 HE1 HIS 95 HE1 HIS 95 -13.193 -12.607 12.742 756 HE2 HIS 95 HE2 HIS 95 -14.961 -12.407 14.533 757 H HIS 96 H HIS 96 -10.726 -13.291 20.301 758 HA HIS 96 HA HIS 96 -8.560 -11.436 20.984 759 HB2 HIS 96 1HB HIS 96 -9.926 -13.541 22.673 760 HB3 HIS 96 2HB HIS 96 -8.631 -12.486 23.228 761 HD1 HIS 96 HD1 HIS 96 -9.247 -9.841 23.197 762 HD2 HIS 96 HD2 HIS 96 -12.426 -12.521 22.969 763 HE1 HIS 96 HE1 HIS 96 -11.299 -8.522 23.823 764 HE2 HIS 96 HE2 HIS 96 -13.209 -10.168 23.714 765 H HIS 97 H HIS 97 -6.509 -12.155 21.542 766 HA HIS 97 HA HIS 97 -5.794 -14.805 20.487 767 HB2 HIS 97 1HB HIS 97 -4.550 -13.011 19.445 768 HB3 HIS 97 2HB HIS 97 -4.134 -12.325 21.009 769 HD1 HIS 97 HD1 HIS 97 -3.155 -15.004 18.597 770 HD2 HIS 97 HD2 HIS 97 -2.023 -13.610 22.353 771 HE1 HIS 97 HE1 HIS 97 -0.947 -16.108 19.103 772 HE2 HIS 97 HE2 HIS 97 -0.354 -15.356 21.439 Start of MODEL 8 1 H1 MET 1 1H MET 1 -0.303 -21.896 -10.058 2 H2 MET 1 2H MET 1 -1.522 -21.070 -10.897 3 H3 MET 1 3H MET 1 -1.933 -22.287 -9.793 4 HA MET 1 HA MET 1 -2.350 -20.157 -8.811 5 HB2 MET 1 1HB MET 1 0.130 -21.489 -7.696 6 HB3 MET 1 2HB MET 1 -0.845 -20.313 -6.830 7 HG2 MET 1 1HG MET 1 -2.754 -21.832 -6.914 8 HG3 MET 1 2HG MET 1 -1.771 -23.011 -7.781 9 HE1 MET 1 3HE MET 1 0.927 -23.940 -5.086 10 HE2 MET 1 1HE MET 1 1.046 -22.687 -6.321 11 HE3 MET 1 2HE MET 1 0.336 -24.252 -6.718 12 H ALA 2 H ALA 2 -1.906 -18.032 -8.773 13 HA ALA 2 HA ALA 2 0.401 -17.022 -10.161 14 HB1 ALA 2 3HB ALA 2 -1.694 -15.572 -8.534 15 HB2 ALA 2 1HB ALA 2 -1.742 -15.846 -10.276 16 HB3 ALA 2 2HB ALA 2 -0.495 -14.811 -9.580 17 HA PRO 3 HA PRO 3 3.017 -17.016 -6.609 18 HB2 PRO 3 1HB PRO 3 4.958 -15.354 -7.460 19 HB3 PRO 3 2HB PRO 3 4.788 -17.013 -8.045 20 HG2 PRO 3 1HG PRO 3 3.985 -14.451 -9.351 21 HG3 PRO 3 2HG PRO 3 4.668 -15.915 -10.081 22 HD2 PRO 3 1HD PRO 3 2.002 -15.259 -10.153 23 HD3 PRO 3 2HD PRO 3 2.618 -16.919 -10.264 24 H LEU 4 H LEU 4 3.116 -15.952 -4.781 25 HA LEU 4 HA LEU 4 2.057 -13.263 -4.594 26 HB2 LEU 4 1HB LEU 4 1.586 -15.076 -2.927 27 HB3 LEU 4 2HB LEU 4 3.269 -14.997 -2.450 28 HG LEU 4 HG LEU 4 2.839 -12.543 -1.920 29 HD11 LEU 4 1HD1 LEU 4 0.505 -12.001 -1.380 30 HD12 LEU 4 2HD1 LEU 4 -0.002 -13.539 -2.077 31 HD13 LEU 4 3HD1 LEU 4 0.734 -12.306 -3.100 32 HD21 LEU 4 3HD2 LEU 4 1.999 -13.128 0.284 33 HD22 LEU 4 1HD2 LEU 4 3.188 -14.304 -0.277 34 HD23 LEU 4 2HD2 LEU 4 1.470 -14.696 -0.328 35 H GLN 5 H GLN 5 3.487 -11.808 -5.415 36 HA GLN 5 HA GLN 5 6.309 -12.080 -4.870 37 HB2 GLN 5 1HB GLN 5 5.401 -11.190 -7.042 38 HB3 GLN 5 2HB GLN 5 4.887 -9.752 -6.167 39 HG2 GLN 5 1HG GLN 5 7.235 -9.364 -5.507 40 HG3 GLN 5 2HG GLN 5 7.709 -10.743 -6.497 41 HE21 GLN 5 2HE2 GLN 5 8.523 -7.992 -6.743 42 HE22 GLN 5 1HE2 GLN 5 8.056 -7.482 -8.327 43 H GLN 6 H GLN 6 7.053 -11.553 -2.949 44 HA GLN 6 HA GLN 6 5.768 -9.381 -1.467 45 HB2 GLN 6 1HB GLN 6 7.660 -11.570 -0.646 46 HB3 GLN 6 2HB GLN 6 7.333 -10.188 0.391 47 HG2 GLN 6 1HG GLN 6 4.872 -10.805 0.136 48 HG3 GLN 6 2HG GLN 6 5.457 -12.341 -0.505 49 HE21 GLN 6 2HE2 GLN 6 3.980 -11.665 1.957 50 HE22 GLN 6 1HE2 GLN 6 4.934 -12.289 3.265 51 H LYS 7 H LYS 7 6.540 -7.469 -1.898 52 HA LYS 7 HA LYS 7 9.464 -7.131 -1.938 53 HB2 LYS 7 1HB LYS 7 8.309 -6.918 -4.224 54 HB3 LYS 7 2HB LYS 7 7.569 -5.458 -3.585 55 HG2 LYS 7 1HG LYS 7 9.891 -4.613 -3.117 56 HG3 LYS 7 2HG LYS 7 10.489 -5.991 -4.045 57 HD2 LYS 7 1HD LYS 7 8.943 -5.181 -5.910 58 HD3 LYS 7 2HD LYS 7 8.811 -3.684 -4.982 59 HE2 LYS 7 1HE LYS 7 10.526 -3.420 -6.642 60 HE3 LYS 7 2HE LYS 7 11.274 -3.477 -5.046 61 HZ1 LYS 7 3HZ LYS 7 11.726 -5.869 -5.470 62 HZ2 LYS 7 1HZ LYS 7 12.547 -4.825 -6.521 63 HZ3 LYS 7 2HZ LYS 7 11.174 -5.663 -7.057 64 H GLN 8 H GLN 8 10.180 -5.554 -0.576 65 HA GLN 8 HA GLN 8 8.260 -4.215 1.074 66 HB2 GLN 8 1HB GLN 8 11.250 -4.238 0.931 67 HB3 GLN 8 2HB GLN 8 10.433 -2.987 1.862 68 HG2 GLN 8 1HG GLN 8 9.292 -4.723 3.165 69 HG3 GLN 8 2HG GLN 8 10.158 -5.958 2.254 70 HE21 GLN 8 2HE2 GLN 8 10.127 -5.220 5.133 71 HE22 GLN 8 1HE2 GLN 8 11.792 -4.983 5.554 72 H VAL 9 H VAL 9 7.447 -2.268 0.894 73 HA VAL 9 HA VAL 9 8.516 -0.492 -1.194 74 HB VAL 9 HB VAL 9 6.161 0.237 -1.636 75 HG11 VAL 9 1HG1 VAL 9 7.291 -1.294 -3.154 76 HG12 VAL 9 2HG1 VAL 9 5.576 -1.690 -3.036 77 HG13 VAL 9 3HG1 VAL 9 6.769 -2.668 -2.179 78 HG21 VAL 9 3HG2 VAL 9 4.334 -1.258 -0.965 79 HG22 VAL 9 1HG2 VAL 9 5.134 -0.531 0.429 80 HG23 VAL 9 2HG2 VAL 9 5.471 -2.206 -0.006 81 H VAL 10 H VAL 10 7.809 1.755 -0.929 82 HA VAL 10 HA VAL 10 7.762 2.517 1.906 83 HB VAL 10 HB VAL 10 8.236 4.266 -0.512 84 HG11 VAL 10 1HG1 VAL 10 8.720 4.748 2.426 85 HG12 VAL 10 2HG1 VAL 10 7.476 5.504 1.432 86 HG13 VAL 10 3HG1 VAL 10 9.179 5.844 1.124 87 HG21 VAL 10 3HG2 VAL 10 10.612 4.162 0.048 88 HG22 VAL 10 1HG2 VAL 10 9.975 2.566 -0.349 89 HG23 VAL 10 2HG2 VAL 10 10.260 3.008 1.335 90 H VAL 11 H VAL 11 5.838 3.057 2.747 91 HA VAL 11 HA VAL 11 3.588 3.786 1.151 92 HB VAL 11 HB VAL 11 3.957 4.288 4.112 93 HG11 VAL 11 1HG1 VAL 11 2.069 5.466 3.132 94 HG12 VAL 11 2HG1 VAL 11 1.507 4.160 4.176 95 HG13 VAL 11 3HG1 VAL 11 1.479 3.962 2.424 96 HG21 VAL 11 3HG2 VAL 11 2.861 2.123 4.467 97 HG22 VAL 11 1HG2 VAL 11 4.398 1.942 3.620 98 HG23 VAL 11 2HG2 VAL 11 2.880 1.833 2.726 99 H SER 12 H SER 12 3.917 5.535 -0.078 100 HA SER 12 HA SER 12 5.570 7.709 0.726 101 HB2 SER 12 1HB SER 12 5.507 7.078 -1.595 102 HB3 SER 12 2HB SER 12 3.761 7.305 -1.663 103 HG SER 12 HG SER 12 5.796 9.264 -1.450 104 H ASN 13 H ASN 13 2.083 7.533 -0.004 105 HA ASN 13 HA ASN 13 1.340 9.280 2.092 106 HB2 ASN 13 1HB ASN 13 0.684 11.247 0.819 107 HB3 ASN 13 2HB ASN 13 2.407 10.966 0.617 108 HD21 ASN 13 2HD2 ASN 13 0.510 12.452 -1.044 109 HD22 ASN 13 1HD2 ASN 13 0.629 11.754 -2.630 110 H LYS 14 H LYS 14 -1.002 10.226 1.432 111 HA LYS 14 HA LYS 14 -2.469 7.943 0.336 112 HB2 LYS 14 1HB LYS 14 -4.422 8.797 1.434 113 HB3 LYS 14 2HB LYS 14 -3.108 8.829 2.600 114 HG2 LYS 14 1HG LYS 14 -2.849 11.204 2.321 115 HG3 LYS 14 2HG LYS 14 -4.040 11.216 1.019 116 HD2 LYS 14 1HD LYS 14 -5.725 10.367 2.661 117 HD3 LYS 14 2HD LYS 14 -4.519 10.589 3.930 118 HE2 LYS 14 1HE LYS 14 -5.590 12.753 2.122 119 HE3 LYS 14 2HE LYS 14 -6.077 12.483 3.793 120 HZ1 LYS 14 3HZ LYS 14 -4.465 14.239 3.684 121 HZ2 LYS 14 1HZ LYS 14 -3.364 13.254 2.852 122 HZ3 LYS 14 2HZ LYS 14 -3.767 12.904 4.462 123 H ARG 15 H ARG 15 -3.786 8.152 -1.428 124 HA ARG 15 HA ARG 15 -3.862 10.795 -2.718 125 HB2 ARG 15 1HB ARG 15 -3.492 8.118 -4.086 126 HB3 ARG 15 2HB ARG 15 -3.765 9.640 -4.923 127 HG2 ARG 15 1HG ARG 15 -1.683 10.524 -3.930 128 HG3 ARG 15 2HG ARG 15 -1.399 8.951 -3.187 129 HD2 ARG 15 1HD ARG 15 -1.402 7.944 -5.460 130 HD3 ARG 15 2HD ARG 15 -1.532 9.567 -6.136 131 HE ARG 15 HE ARG 15 0.685 9.350 -4.360 132 HH11 ARG 15 1HH1 ARG 15 -0.359 8.601 -7.616 133 HH12 ARG 15 2HH1 ARG 15 1.255 8.570 -8.265 134 HH21 ARG 15 1HH2 ARG 15 2.824 9.265 -5.204 135 HH22 ARG 15 2HH2 ARG 15 3.058 8.898 -6.885 136 H GLU 16 H GLU 16 -5.701 10.808 -4.442 137 HA GLU 16 HA GLU 16 -7.976 9.205 -3.574 138 HB2 GLU 16 1HB GLU 16 -7.883 11.206 -2.086 139 HB3 GLU 16 2HB GLU 16 -8.048 12.226 -3.508 140 HG2 GLU 16 1HG GLU 16 -10.229 11.187 -3.968 141 HG3 GLU 16 2HG GLU 16 -10.062 10.233 -2.493 142 H LYS 17 H LYS 17 -8.377 8.340 -5.551 143 HA LYS 17 HA LYS 17 -8.986 10.246 -7.714 144 HB2 LYS 17 1HB LYS 17 -8.499 7.272 -7.913 145 HB3 LYS 17 2HB LYS 17 -8.813 8.359 -9.257 146 HG2 LYS 17 1HG LYS 17 -6.736 9.535 -8.806 147 HG3 LYS 17 2HG LYS 17 -6.420 8.456 -7.442 148 HD2 LYS 17 1HD LYS 17 -6.676 6.562 -9.175 149 HD3 LYS 17 2HD LYS 17 -6.441 7.837 -10.374 150 HE2 LYS 17 1HE LYS 17 -4.335 6.744 -9.829 151 HE3 LYS 17 2HE LYS 17 -4.324 8.435 -9.325 152 HZ1 LYS 17 3HZ LYS 17 -4.864 7.701 -7.065 153 HZ2 LYS 17 1HZ LYS 17 -3.395 7.051 -7.609 154 HZ3 LYS 17 2HZ LYS 17 -4.790 6.089 -7.564 155 HA PRO 18 HA PRO 18 -13.245 8.833 -6.954 156 HB2 PRO 18 1HB PRO 18 -13.948 11.339 -8.270 157 HB3 PRO 18 2HB PRO 18 -14.354 10.794 -6.641 158 HG2 PRO 18 1HG PRO 18 -12.632 12.838 -7.125 159 HG3 PRO 18 2HG PRO 18 -12.504 11.781 -5.707 160 HD2 PRO 18 1HD PRO 18 -10.949 11.713 -8.268 161 HD3 PRO 18 2HD PRO 18 -10.383 11.478 -6.600 162 H VAL 19 H VAL 19 -13.447 7.276 -8.479 163 HA VAL 19 HA VAL 19 -12.904 7.928 -11.275 164 HB VAL 19 HB VAL 19 -13.453 5.221 -10.044 165 HG11 VAL 19 1HG1 VAL 19 -12.462 4.343 -12.107 166 HG12 VAL 19 2HG1 VAL 19 -12.305 5.988 -12.726 167 HG13 VAL 19 3HG1 VAL 19 -13.904 5.304 -12.434 168 HG21 VAL 19 3HG2 VAL 19 -10.816 6.534 -10.700 169 HG22 VAL 19 1HG2 VAL 19 -11.027 4.862 -10.178 170 HG23 VAL 19 2HG2 VAL 19 -11.437 6.185 -9.086 171 H ASN 20 H ASN 20 -14.498 8.429 -12.584 172 HA ASN 20 HA ASN 20 -17.232 8.205 -11.810 173 HB2 ASN 20 1HB ASN 20 -16.009 8.943 -14.479 174 HB3 ASN 20 2HB ASN 20 -17.709 9.127 -14.061 175 HD21 ASN 20 2HD2 ASN 20 -15.769 11.138 -14.860 176 HD22 ASN 20 1HD2 ASN 20 -15.714 12.291 -13.567 177 H ASP 21 H ASP 21 -18.897 7.085 -12.988 178 HA ASP 21 HA ASP 21 -17.963 4.637 -14.323 179 HB2 ASP 21 1HB ASP 21 -18.573 4.092 -12.015 180 HB3 ASP 21 2HB ASP 21 -20.143 4.856 -12.232 181 H ARG 22 H ARG 22 -19.415 3.769 -15.898 182 HA ARG 22 HA ARG 22 -20.769 5.916 -17.275 183 HB2 ARG 22 1HB ARG 22 -20.564 3.036 -18.151 184 HB3 ARG 22 2HB ARG 22 -20.909 4.436 -19.158 185 HG2 ARG 22 1HG ARG 22 -18.560 5.232 -18.292 186 HG3 ARG 22 2HG ARG 22 -18.325 3.507 -18.015 187 HD2 ARG 22 1HD ARG 22 -18.909 4.913 -20.609 188 HD3 ARG 22 2HD ARG 22 -17.479 3.978 -20.179 189 HE ARG 22 HE ARG 22 -20.151 2.799 -20.607 190 HH11 ARG 22 1HH1 ARG 22 -16.652 2.604 -20.742 191 HH12 ARG 22 2HH1 ARG 22 -16.648 1.123 -21.656 192 HH21 ARG 22 1HH2 ARG 22 -20.153 0.862 -21.806 193 HH22 ARG 22 2HH2 ARG 22 -18.640 0.126 -22.257 194 H ARG 23 H ARG 23 -21.703 3.678 -15.000 195 HA ARG 23 HA ARG 23 -24.442 3.393 -15.894 196 HB2 ARG 23 1HB ARG 23 -23.187 2.814 -13.201 197 HB3 ARG 23 2HB ARG 23 -24.813 2.355 -13.691 198 HG2 ARG 23 1HG ARG 23 -23.969 0.838 -15.326 199 HG3 ARG 23 2HG ARG 23 -22.318 1.416 -15.084 200 HD2 ARG 23 1HD ARG 23 -22.427 0.609 -12.748 201 HD3 ARG 23 2HD ARG 23 -24.025 -0.056 -13.082 202 HE ARG 23 HE ARG 23 -23.054 -1.750 -14.330 203 HH11 ARG 23 1HH1 ARG 23 -20.628 0.598 -13.371 204 HH12 ARG 23 2HH1 ARG 23 -19.298 -0.453 -13.749 205 HH21 ARG 23 1HH2 ARG 23 -21.290 -3.110 -14.840 206 HH22 ARG 23 2HH2 ARG 23 -19.665 -2.543 -14.578 207 H SER 24 H SER 24 -22.536 5.669 -14.266 208 HA SER 24 HA SER 24 -24.786 7.011 -13.003 209 HB2 SER 24 1HB SER 24 -21.834 7.697 -13.089 210 HB3 SER 24 2HB SER 24 -23.053 8.566 -12.154 211 HG SER 24 HG SER 24 -23.444 6.650 -10.991 212 H ARG 25 H ARG 25 -25.039 9.377 -13.426 213 HA ARG 25 HA ARG 25 -25.182 9.706 -16.311 214 HB2 ARG 25 1HB ARG 25 -26.504 11.031 -13.977 215 HB3 ARG 25 2HB ARG 25 -26.502 11.818 -15.549 216 HG2 ARG 25 1HG ARG 25 -27.600 9.869 -16.525 217 HG3 ARG 25 2HG ARG 25 -27.611 9.089 -14.940 218 HD2 ARG 25 1HD ARG 25 -29.110 10.657 -14.058 219 HD3 ARG 25 2HD ARG 25 -28.835 11.790 -15.379 220 HE ARG 25 HE ARG 25 -29.895 9.453 -16.473 221 HH11 ARG 25 1HH1 ARG 25 -30.871 11.931 -14.208 222 HH12 ARG 25 2HH1 ARG 25 -32.532 11.922 -14.708 223 HH21 ARG 25 1HH2 ARG 25 -32.084 9.440 -17.155 224 HH22 ARG 25 2HH2 ARG 25 -33.228 10.494 -16.372 225 H GLN 26 H GLN 26 -24.771 11.786 -17.281 226 HA GLN 26 HA GLN 26 -22.407 13.125 -16.213 227 HB2 GLN 26 1HB GLN 26 -22.447 12.509 -18.602 228 HB3 GLN 26 2HB GLN 26 -23.902 13.465 -18.829 229 HG2 GLN 26 1HG GLN 26 -22.648 15.490 -18.253 230 HG3 GLN 26 2HG GLN 26 -21.188 14.518 -18.067 231 HE21 GLN 26 2HE2 GLN 26 -21.815 16.723 -19.903 232 HE22 GLN 26 1HE2 GLN 26 -21.548 16.095 -21.498 233 H GLN 27 H GLN 27 -25.766 13.660 -17.080 234 HA GLN 27 HA GLN 27 -25.818 16.308 -15.883 235 HB2 GLN 27 1HB GLN 27 -28.116 14.583 -16.843 236 HB3 GLN 27 2HB GLN 27 -28.183 16.298 -16.468 237 HG2 GLN 27 1HG GLN 27 -26.579 15.066 -18.696 238 HG3 GLN 27 2HG GLN 27 -28.143 15.860 -18.876 239 HE21 GLN 27 2HE2 GLN 27 -25.537 16.496 -20.043 240 HE22 GLN 27 1HE2 GLN 27 -25.209 18.141 -19.583 241 H GLU 28 H GLU 28 -25.460 16.163 -13.732 242 HA GLU 28 HA GLU 28 -25.665 15.622 -11.548 243 HB2 GLU 28 1HB GLU 28 -28.013 16.181 -11.754 244 HB3 GLU 28 2HB GLU 28 -28.373 14.600 -12.429 245 HG2 GLU 28 1HG GLU 28 -29.033 14.887 -10.054 246 HG3 GLU 28 2HG GLU 28 -27.951 13.529 -10.351 247 H VAL 29 H VAL 29 -24.025 14.218 -11.373 248 HA VAL 29 HA VAL 29 -23.857 11.686 -12.540 249 HB VAL 29 HB VAL 29 -22.421 12.632 -10.052 250 HG11 VAL 29 1HG1 VAL 29 -20.673 11.057 -10.732 251 HG12 VAL 29 2HG1 VAL 29 -21.680 10.526 -12.080 252 HG13 VAL 29 3HG1 VAL 29 -22.203 10.237 -10.421 253 HG21 VAL 29 3HG2 VAL 29 -20.642 13.362 -11.578 254 HG22 VAL 29 1HG2 VAL 29 -22.148 14.239 -11.853 255 HG23 VAL 29 2HG2 VAL 29 -21.665 12.949 -12.955 256 H SER 30 H SER 30 -25.184 12.741 -9.491 257 HA SER 30 HA SER 30 -26.347 11.714 -7.849 258 HB2 SER 30 1HB SER 30 -26.692 9.421 -9.795 259 HB3 SER 30 2HB SER 30 -27.717 9.807 -8.411 260 HG SER 30 HG SER 30 -27.306 11.541 -10.630 261 HA PRO 31 HA PRO 31 -22.515 9.729 -6.485 262 HB2 PRO 31 1HB PRO 31 -23.673 10.363 -3.837 263 HB3 PRO 31 2HB PRO 31 -22.091 10.778 -4.504 264 HG2 PRO 31 1HG PRO 31 -23.998 12.626 -4.229 265 HG3 PRO 31 2HG PRO 31 -22.902 12.635 -5.625 266 HD2 PRO 31 1HD PRO 31 -25.741 11.701 -5.445 267 HD3 PRO 31 2HD PRO 31 -24.932 12.605 -6.742 268 H ALA 32 H ALA 32 -22.951 7.610 -6.997 269 HA ALA 32 HA ALA 32 -24.577 6.050 -5.128 270 HB1 ALA 32 3HB ALA 32 -24.966 5.678 -7.513 271 HB2 ALA 32 1HB ALA 32 -24.334 4.224 -6.740 272 HB3 ALA 32 2HB ALA 32 -23.273 5.231 -7.725 273 H GLY 33 H GLY 33 -21.516 7.134 -5.371 274 HA2 GLY 33 1HA GLY 33 -20.492 4.960 -3.691 275 HA3 GLY 33 2HA GLY 33 -19.543 5.486 -5.076 276 H THR 34 H THR 34 -21.343 7.033 -2.437 277 HA THR 34 HA THR 34 -19.644 9.311 -2.375 278 HB THR 34 HB THR 34 -21.565 8.417 -0.218 279 HG1 THR 34 HG1 THR 34 -23.188 9.119 -1.468 280 HG21 THR 34 3HG2 THR 34 -21.822 10.834 0.162 281 HG22 THR 34 1HG2 THR 34 -20.630 11.158 -1.098 282 HG23 THR 34 2HG2 THR 34 -20.148 10.326 0.380 283 H SER 35 H SER 35 -19.461 6.193 -0.975 284 HA SER 35 HA SER 35 -17.823 6.811 1.258 285 HB2 SER 35 1HB SER 35 -17.199 4.358 1.093 286 HB3 SER 35 2HB SER 35 -18.927 4.685 1.224 287 HG SER 35 HG SER 35 -17.513 4.183 -1.193 288 H MET 36 H MET 36 -16.193 8.190 0.657 289 HA MET 36 HA MET 36 -14.485 7.670 -1.574 290 HB2 MET 36 1HB MET 36 -14.322 9.632 0.711 291 HB3 MET 36 2HB MET 36 -13.101 9.535 -0.550 292 HG2 MET 36 1HG MET 36 -14.730 10.098 -2.233 293 HG3 MET 36 2HG MET 36 -16.021 10.076 -1.034 294 HE1 MET 36 3HE MET 36 -16.430 11.923 0.757 295 HE2 MET 36 1HE MET 36 -15.269 13.194 1.143 296 HE3 MET 36 2HE MET 36 -14.867 11.506 1.458 297 H ARG 37 H ARG 37 -13.497 5.746 -1.397 298 HA ARG 37 HA ARG 37 -12.087 4.970 0.996 299 HB2 ARG 37 1HB ARG 37 -12.166 3.716 -1.758 300 HB3 ARG 37 2HB ARG 37 -11.445 2.986 -0.330 301 HG2 ARG 37 1HG ARG 37 -13.533 2.705 0.715 302 HG3 ARG 37 2HG ARG 37 -14.337 3.786 -0.423 303 HD2 ARG 37 1HD ARG 37 -13.908 2.168 -2.227 304 HD3 ARG 37 2HD ARG 37 -13.162 1.082 -1.056 305 HE ARG 37 HE ARG 37 -15.322 0.823 -0.010 306 HH11 ARG 37 1HH1 ARG 37 -15.381 2.521 -3.079 307 HH12 ARG 37 2HH1 ARG 37 -17.019 2.050 -3.449 308 HH21 ARG 37 1HH2 ARG 37 -17.483 0.213 -0.502 309 HH22 ARG 37 2HH2 ARG 37 -18.196 0.740 -1.996 310 H TYR 38 H TYR 38 -10.273 5.979 1.468 311 HA TYR 38 HA TYR 38 -8.773 7.512 -0.366 312 HB2 TYR 38 1HB TYR 38 -7.770 6.525 2.304 313 HB3 TYR 38 2HB TYR 38 -7.332 8.008 1.462 314 HD1 TYR 38 HD2 TYR 38 -9.148 9.800 1.196 315 HD2 TYR 38 HD1 TYR 38 -9.499 6.509 3.869 316 HE1 TYR 38 HE2 TYR 38 -10.884 11.011 2.453 317 HE2 TYR 38 HE1 TYR 38 -11.234 7.706 5.129 318 HH TYR 38 HH TYR 38 -11.930 10.053 5.515 319 H GLU 39 H GLU 39 -6.678 7.176 -1.168 320 HA GLU 39 HA GLU 39 -5.982 4.345 -1.490 321 HB2 GLU 39 1HB GLU 39 -5.098 6.734 -3.118 322 HB3 GLU 39 2HB GLU 39 -4.714 5.057 -3.457 323 HG2 GLU 39 1HG GLU 39 -7.080 4.604 -3.870 324 HG3 GLU 39 2HG GLU 39 -7.452 6.298 -3.541 325 H ALA 40 H ALA 40 -3.777 3.719 -1.360 326 HA ALA 40 HA ALA 40 -2.029 5.643 0.033 327 HB1 ALA 40 3HB ALA 40 -2.064 2.640 0.327 328 HB2 ALA 40 1HB ALA 40 -2.668 3.802 1.508 329 HB3 ALA 40 2HB ALA 40 -0.946 3.745 1.129 330 H SER 41 H SER 41 0.016 5.911 -0.758 331 HA SER 41 HA SER 41 0.512 4.718 -3.374 332 HB2 SER 41 1HB SER 41 2.192 6.804 -1.986 333 HB3 SER 41 2HB SER 41 2.074 6.472 -3.716 334 HG SER 41 HG SER 41 0.731 8.254 -2.396 335 H PHE 42 H PHE 42 1.635 2.898 -3.467 336 HA PHE 42 HA PHE 42 3.660 2.362 -1.405 337 HB2 PHE 42 1HB PHE 42 2.390 0.483 -3.419 338 HB3 PHE 42 2HB PHE 42 3.552 0.022 -2.179 339 HD1 PHE 42 HD2 PHE 42 2.901 0.200 0.227 340 HD2 PHE 42 HD1 PHE 42 0.095 0.672 -2.936 341 HE1 PHE 42 HE2 PHE 42 1.058 -0.191 1.809 342 HE2 PHE 42 HE1 PHE 42 -1.754 0.284 -1.361 343 HZ PHE 42 HZ PHE 42 -1.274 -0.151 1.016 344 H LYS 43 H LYS 43 5.545 3.104 -1.954 345 HA LYS 43 HA LYS 43 6.291 3.323 -4.767 346 HB2 LYS 43 1HB LYS 43 6.431 5.269 -3.194 347 HB3 LYS 43 2HB LYS 43 7.676 4.404 -2.309 348 HG2 LYS 43 1HG LYS 43 9.131 4.456 -4.234 349 HG3 LYS 43 2HG LYS 43 7.868 5.229 -5.195 350 HD2 LYS 43 1HD LYS 43 7.878 7.078 -3.461 351 HD3 LYS 43 2HD LYS 43 9.359 6.352 -2.836 352 HE2 LYS 43 1HE LYS 43 9.811 8.195 -4.394 353 HE3 LYS 43 2HE LYS 43 10.446 6.657 -4.977 354 HZ1 LYS 43 3HZ LYS 43 7.784 7.632 -5.811 355 HZ2 LYS 43 1HZ LYS 43 8.776 6.485 -6.569 356 HZ3 LYS 43 2HZ LYS 43 9.191 8.129 -6.621 357 HA PRO 44 HA PRO 44 8.743 -0.410 -4.203 358 HB2 PRO 44 1HB PRO 44 9.663 0.256 -6.924 359 HB3 PRO 44 2HB PRO 44 8.875 -1.210 -6.335 360 HG2 PRO 44 1HG PRO 44 7.591 0.550 -7.905 361 HG3 PRO 44 2HG PRO 44 6.754 -0.347 -6.623 362 HD2 PRO 44 1HD PRO 44 7.711 2.489 -6.644 363 HD3 PRO 44 2HD PRO 44 6.213 1.809 -5.976 364 H LEU 45 H LEU 45 10.717 -0.548 -3.344 365 HA LEU 45 HA LEU 45 12.418 1.656 -3.048 366 HB2 LEU 45 1HB LEU 45 13.034 -1.289 -2.771 367 HB3 LEU 45 2HB LEU 45 14.042 0.015 -2.167 368 HG LEU 45 HG LEU 45 11.193 -0.363 -1.268 369 HD11 LEU 45 1HD1 LEU 45 12.398 -2.395 -0.747 370 HD12 LEU 45 2HD1 LEU 45 12.094 -1.461 0.718 371 HD13 LEU 45 3HD1 LEU 45 13.701 -1.457 -0.012 372 HD21 LEU 45 3HD2 LEU 45 12.152 1.837 -0.884 373 HD22 LEU 45 1HD2 LEU 45 13.546 1.107 -0.088 374 HD23 LEU 45 2HD2 LEU 45 11.945 0.973 0.640 375 H ASN 46 H ASN 46 13.071 -1.331 -4.881 376 HA ASN 46 HA ASN 46 14.484 0.330 -6.865 377 HB2 ASN 46 1HB ASN 46 15.072 -2.534 -6.062 378 HB3 ASN 46 2HB ASN 46 15.845 -1.690 -7.398 379 HD21 ASN 46 2HD2 ASN 46 16.950 -2.874 -4.951 380 HD22 ASN 46 1HD2 ASN 46 17.836 -1.599 -4.184 381 H GLY 47 H GLY 47 12.464 0.612 -7.950 382 HA2 GLY 47 1HA GLY 47 11.808 -1.638 -9.676 383 HA3 GLY 47 2HA GLY 47 10.521 -1.095 -8.611 384 H GLY 48 H GLY 48 9.155 0.282 -9.486 385 HA2 GLY 48 1HA GLY 48 10.071 2.263 -11.411 386 HA3 GLY 48 2HA GLY 48 8.962 1.044 -12.017 387 H LEU 49 H LEU 49 7.155 2.113 -12.362 388 HA LEU 49 HA LEU 49 6.156 4.359 -11.139 389 HB2 LEU 49 1HB LEU 49 5.298 3.297 -13.213 390 HB3 LEU 49 2HB LEU 49 4.534 2.061 -12.234 391 HG LEU 49 HG LEU 49 3.183 3.887 -11.142 392 HD11 LEU 49 1HD1 LEU 49 4.631 5.766 -11.692 393 HD12 LEU 49 2HD1 LEU 49 3.005 6.015 -12.327 394 HD13 LEU 49 3HD1 LEU 49 4.309 5.526 -13.409 395 HD21 LEU 49 3HD2 LEU 49 2.263 2.443 -12.883 396 HD22 LEU 49 1HD2 LEU 49 2.877 3.536 -14.122 397 HD23 LEU 49 2HD2 LEU 49 1.622 4.082 -13.010 398 H GLU 50 H GLU 50 4.984 4.844 -9.376 399 HA GLU 50 HA GLU 50 5.016 3.025 -7.173 400 HB2 GLU 50 1HB GLU 50 3.631 5.703 -7.421 401 HB3 GLU 50 2HB GLU 50 4.019 4.864 -5.925 402 HG2 GLU 50 1HG GLU 50 6.321 5.239 -6.186 403 HG3 GLU 50 2HG GLU 50 6.136 5.700 -7.877 404 H LYS 51 H LYS 51 3.435 1.716 -6.448 405 HA LYS 51 HA LYS 51 1.011 1.537 -8.042 406 HB2 LYS 51 1HB LYS 51 2.067 -0.222 -5.820 407 HB3 LYS 51 2HB LYS 51 0.556 -0.506 -6.667 408 HG2 LYS 51 1HG LYS 51 1.974 -1.922 -7.773 409 HG3 LYS 51 2HG LYS 51 2.061 -0.484 -8.792 410 HD2 LYS 51 1HD LYS 51 4.125 0.187 -7.641 411 HD3 LYS 51 2HD LYS 51 4.038 -1.271 -6.650 412 HE2 LYS 51 1HE LYS 51 5.577 -1.697 -8.420 413 HE3 LYS 51 2HE LYS 51 4.106 -2.611 -8.758 414 HZ1 LYS 51 3HZ LYS 51 4.917 -1.530 -10.749 415 HZ2 LYS 51 1HZ LYS 51 4.869 -0.014 -9.992 416 HZ3 LYS 51 2HZ LYS 51 3.430 -0.853 -10.299 417 H THR 52 H THR 52 -0.732 2.619 -7.502 418 HA THR 52 HA THR 52 -1.099 3.387 -4.687 419 HB THR 52 HB THR 52 -2.514 4.519 -7.104 420 HG1 THR 52 HG1 THR 52 0.008 4.766 -6.569 421 HG21 THR 52 3HG2 THR 52 -3.667 4.892 -4.985 422 HG22 THR 52 1HG2 THR 52 -2.990 6.402 -5.592 423 HG23 THR 52 2HG2 THR 52 -2.188 5.539 -4.278 424 H PHE 53 H PHE 53 -2.330 1.962 -3.636 425 HA PHE 53 HA PHE 53 -4.632 0.786 -5.048 426 HB2 PHE 53 1HB PHE 53 -3.108 -0.218 -2.634 427 HB3 PHE 53 2HB PHE 53 -4.582 -0.956 -3.249 428 HD1 PHE 53 HD1 PHE 53 -4.558 -1.816 -5.651 429 HD2 PHE 53 HD2 PHE 53 -1.033 -0.838 -3.478 430 HE1 PHE 53 HE1 PHE 53 -3.228 -3.206 -7.187 431 HE2 PHE 53 HE2 PHE 53 0.302 -2.222 -5.009 432 HZ PHE 53 HZ PHE 53 -0.794 -3.409 -6.867 433 H ARG 54 H ARG 54 -6.658 0.868 -4.119 434 HA ARG 54 HA ARG 54 -7.095 3.043 -2.294 435 HB2 ARG 54 1HB ARG 54 -9.101 1.056 -3.371 436 HB3 ARG 54 2HB ARG 54 -9.465 2.587 -2.588 437 HG2 ARG 54 1HG ARG 54 -8.243 3.721 -4.460 438 HG3 ARG 54 2HG ARG 54 -8.183 2.153 -5.269 439 HD2 ARG 54 1HD ARG 54 -10.624 3.734 -4.496 440 HD3 ARG 54 2HD ARG 54 -10.065 3.346 -6.122 441 HE ARG 54 HE ARG 54 -10.749 1.116 -4.371 442 HH11 ARG 54 1HH1 ARG 54 -11.611 3.168 -7.057 443 HH12 ARG 54 2HH1 ARG 54 -12.896 2.138 -7.614 444 HH21 ARG 54 1HH2 ARG 54 -12.422 -0.259 -5.076 445 HH22 ARG 54 2HH2 ARG 54 -13.365 0.179 -6.480 446 H LEU 55 H LEU 55 -7.791 2.953 -0.221 447 HA LEU 55 HA LEU 55 -7.685 0.317 1.083 448 HB2 LEU 55 1HB LEU 55 -6.500 2.958 1.908 449 HB3 LEU 55 2HB LEU 55 -6.762 1.656 3.060 450 HG LEU 55 HG LEU 55 -4.924 1.618 0.667 451 HD11 LEU 55 1HD1 LEU 55 -4.402 1.451 3.630 452 HD12 LEU 55 2HD1 LEU 55 -4.079 2.842 2.595 453 HD13 LEU 55 3HD1 LEU 55 -3.185 1.340 2.360 454 HD21 LEU 55 3HD2 LEU 55 -4.291 -0.634 1.387 455 HD22 LEU 55 1HD2 LEU 55 -5.989 -0.563 0.913 456 HD23 LEU 55 2HD2 LEU 55 -5.551 -0.593 2.621 457 H GLN 56 H GLN 56 -8.535 0.592 3.428 458 HA GLN 56 HA GLN 56 -11.076 2.071 3.341 459 HB2 GLN 56 1HB GLN 56 -10.267 -0.207 5.160 460 HB3 GLN 56 2HB GLN 56 -11.856 0.530 5.060 461 HG2 GLN 56 1HG GLN 56 -12.230 -0.369 2.898 462 HG3 GLN 56 2HG GLN 56 -10.552 -0.893 2.759 463 HE21 GLN 56 2HE2 GLN 56 -13.037 -2.429 2.578 464 HE22 GLN 56 1HE2 GLN 56 -12.913 -3.673 3.771 465 H ALA 57 H ALA 57 -11.772 2.702 5.686 466 HA ALA 57 HA ALA 57 -9.960 4.593 6.693 467 HB1 ALA 57 3HB ALA 57 -12.382 4.742 7.030 468 HB2 ALA 57 1HB ALA 57 -11.512 4.841 8.560 469 HB3 ALA 57 2HB ALA 57 -12.319 3.343 8.101 470 H GLN 58 H GLN 58 -10.859 1.383 7.919 471 HA GLN 58 HA GLN 58 -9.134 1.413 10.156 472 HB2 GLN 58 1HB GLN 58 -10.233 -0.940 8.611 473 HB3 GLN 58 2HB GLN 58 -9.503 -1.024 10.208 474 HG2 GLN 58 1HG GLN 58 -11.278 0.271 11.154 475 HG3 GLN 58 2HG GLN 58 -11.962 0.581 9.559 476 HE21 GLN 58 2HE2 GLN 58 -13.193 -0.636 11.877 477 HE22 GLN 58 1HE2 GLN 58 -13.700 -2.220 11.385 478 H GLN 59 H GLN 59 -8.643 0.600 6.800 479 HA GLN 59 HA GLN 59 -6.200 -0.817 7.162 480 HB2 GLN 59 1HB GLN 59 -7.251 0.592 4.703 481 HB3 GLN 59 2HB GLN 59 -5.897 -0.526 4.735 482 HG2 GLN 59 1HG GLN 59 -8.765 -1.175 5.364 483 HG3 GLN 59 2HG GLN 59 -7.885 -1.617 3.904 484 HE21 GLN 59 2HE2 GLN 59 -9.240 -3.322 5.800 485 HE22 GLN 59 1HE2 GLN 59 -8.048 -4.420 6.414 486 H TYR 60 H TYR 60 -6.996 2.545 6.323 487 HA TYR 60 HA TYR 60 -4.268 3.356 6.101 488 HB2 TYR 60 1HB TYR 60 -6.227 4.531 5.035 489 HB3 TYR 60 2HB TYR 60 -6.664 5.124 6.634 490 HD1 TYR 60 HD2 TYR 60 -3.891 5.132 4.153 491 HD2 TYR 60 HD1 TYR 60 -5.715 7.105 7.450 492 HE1 TYR 60 HE2 TYR 60 -2.360 7.032 3.853 493 HE2 TYR 60 HE1 TYR 60 -4.188 9.010 7.163 494 HH TYR 60 HH TYR 60 -1.928 9.429 6.186 495 H HIS 61 H HIS 61 -6.427 2.865 8.715 496 HA HIS 61 HA HIS 61 -5.117 4.461 10.667 497 HB2 HIS 61 1HB HIS 61 -7.388 3.693 11.036 498 HB3 HIS 61 2HB HIS 61 -6.882 2.013 10.926 499 HD1 HIS 61 HD1 HIS 61 -7.190 1.067 13.187 500 HD2 HIS 61 HD2 HIS 61 -5.458 4.852 13.312 501 HE1 HIS 61 HE1 HIS 61 -6.630 1.483 15.603 502 HE2 HIS 61 HE2 HIS 61 -5.400 3.682 15.622 503 H ALA 62 H ALA 62 -4.413 1.441 9.188 504 HA ALA 62 HA ALA 62 -2.375 0.817 11.203 505 HB1 ALA 62 3HB ALA 62 -2.198 -1.358 10.102 506 HB2 ALA 62 1HB ALA 62 -3.367 -0.845 8.886 507 HB3 ALA 62 2HB ALA 62 -3.864 -1.016 10.569 508 H LEU 63 H LEU 63 -2.806 1.474 7.762 509 HA LEU 63 HA LEU 63 -0.084 1.219 7.033 510 HB2 LEU 63 1HB LEU 63 -2.549 2.265 5.782 511 HB3 LEU 63 2HB LEU 63 -1.047 2.929 5.170 512 HG LEU 63 HG LEU 63 -1.816 1.046 3.817 513 HD11 LEU 63 1HD1 LEU 63 0.258 -0.239 3.819 514 HD12 LEU 63 2HD1 LEU 63 0.678 0.437 5.393 515 HD13 LEU 63 3HD1 LEU 63 0.568 1.489 3.981 516 HD21 LEU 63 3HD2 LEU 63 -1.808 -1.227 4.720 517 HD22 LEU 63 1HD2 LEU 63 -3.004 -0.214 5.529 518 HD23 LEU 63 2HD2 LEU 63 -1.477 -0.588 6.330 519 H THR 64 H THR 64 1.300 2.354 8.281 520 HA THR 64 HA THR 64 0.856 5.181 8.759 521 HB THR 64 HB THR 64 3.195 3.444 9.576 522 HG1 THR 64 HG1 THR 64 1.116 2.833 10.486 523 HG21 THR 64 3HG2 THR 64 3.729 5.833 9.564 524 HG22 THR 64 1HG2 THR 64 3.635 5.219 11.214 525 HG23 THR 64 2HG2 THR 64 2.302 6.163 10.548 526 H VAL 65 H VAL 65 1.581 6.704 7.444 527 HA VAL 65 HA VAL 65 3.021 6.204 5.101 528 HB VAL 65 HB VAL 65 2.501 8.775 6.593 529 HG11 VAL 65 1HG1 VAL 65 3.191 9.957 4.558 530 HG12 VAL 65 2HG1 VAL 65 3.711 8.428 3.849 531 HG13 VAL 65 3HG1 VAL 65 4.533 9.064 5.275 532 HG21 VAL 65 3HG2 VAL 65 0.548 7.658 5.681 533 HG22 VAL 65 1HG2 VAL 65 1.323 7.561 4.100 534 HG23 VAL 65 2HG2 VAL 65 0.890 9.134 4.775 535 H GLY 66 H GLY 66 5.096 6.039 4.649 536 HA2 GLY 66 1HA GLY 66 7.391 6.595 4.877 537 HA3 GLY 66 2HA GLY 66 7.087 7.056 6.547 538 H ASP 67 H ASP 67 5.431 4.423 6.677 539 HA ASP 67 HA ASP 67 7.651 2.910 7.723 540 HB2 ASP 67 1HB ASP 67 5.453 2.929 8.882 541 HB3 ASP 67 2HB ASP 67 4.754 2.060 7.516 542 H GLN 68 H GLN 68 8.924 2.344 6.036 543 HA GLN 68 HA GLN 68 8.053 0.996 3.711 544 HB2 GLN 68 1HB GLN 68 10.735 0.667 5.070 545 HB3 GLN 68 2HB GLN 68 10.366 0.405 3.371 546 HG2 GLN 68 1HG GLN 68 9.886 2.807 3.133 547 HG3 GLN 68 2HG GLN 68 10.343 3.044 4.818 548 HE21 GLN 68 2HE2 GLN 68 11.508 4.218 2.460 549 HE22 GLN 68 1HE2 GLN 68 13.175 3.764 2.447 550 H GLY 69 H GLY 69 7.460 -1.091 3.398 551 HA2 GLY 69 1HA GLY 69 8.193 -3.156 5.275 552 HA3 GLY 69 2HA GLY 69 6.516 -2.649 5.407 553 H THR 70 H THR 70 6.641 -5.129 4.873 554 HA THR 70 HA THR 70 7.265 -5.815 2.164 555 HB THR 70 HB THR 70 5.780 -7.552 4.124 556 HG1 THR 70 HG1 THR 70 7.600 -7.858 5.230 557 HG21 THR 70 3HG2 THR 70 7.788 -8.150 1.945 558 HG22 THR 70 1HG2 THR 70 6.047 -8.417 1.850 559 HG23 THR 70 2HG2 THR 70 7.021 -9.345 2.991 560 H LEU 71 H LEU 71 5.931 -5.985 0.470 561 HA LEU 71 HA LEU 71 3.037 -5.790 0.966 562 HB2 LEU 71 1HB LEU 71 3.971 -3.823 -0.185 563 HB3 LEU 71 2HB LEU 71 4.609 -4.864 -1.443 564 HG LEU 71 HG LEU 71 2.313 -5.491 -2.081 565 HD11 LEU 71 1HD1 LEU 71 0.419 -4.256 -1.157 566 HD12 LEU 71 2HD1 LEU 71 1.496 -3.463 -0.007 567 HD13 LEU 71 3HD1 LEU 71 1.238 -5.205 0.084 568 HD21 LEU 71 3HD2 LEU 71 3.424 -3.629 -3.201 569 HD22 LEU 71 1HD2 LEU 71 2.795 -2.516 -1.987 570 HD23 LEU 71 2HD2 LEU 71 1.686 -3.351 -3.074 571 H SER 72 H SER 72 1.989 -7.581 0.562 572 HA SER 72 HA SER 72 3.122 -9.595 -1.254 573 HB2 SER 72 1HB SER 72 0.814 -9.802 0.702 574 HB3 SER 72 2HB SER 72 1.552 -11.132 -0.190 575 HG SER 72 HG SER 72 2.870 -9.488 1.715 576 H TYR 73 H TYR 73 2.488 -9.306 -3.304 577 HA TYR 73 HA TYR 73 -0.372 -8.995 -3.819 578 HB2 TYR 73 1HB TYR 73 0.069 -7.301 -5.574 579 HB3 TYR 73 2HB TYR 73 0.481 -6.727 -3.965 580 HD1 TYR 73 HD1 TYR 73 2.938 -6.732 -3.287 581 HD2 TYR 73 HD2 TYR 73 1.661 -7.270 -7.310 582 HE1 TYR 73 HE1 TYR 73 5.182 -6.115 -4.077 583 HE2 TYR 73 HE2 TYR 73 3.903 -6.663 -8.107 584 HH TYR 73 HH TYR 73 6.595 -6.443 -6.035 585 H LYS 74 H LYS 74 -1.028 -9.673 -5.918 586 HA LYS 74 HA LYS 74 0.958 -11.323 -7.335 587 HB2 LYS 74 1HB LYS 74 -1.951 -11.999 -6.856 588 HB3 LYS 74 2HB LYS 74 -0.847 -12.930 -7.857 589 HG2 LYS 74 1HG LYS 74 0.560 -13.294 -5.829 590 HG3 LYS 74 2HG LYS 74 -0.719 -12.532 -4.879 591 HD2 LYS 74 1HD LYS 74 -2.296 -14.229 -5.590 592 HD3 LYS 74 2HD LYS 74 -1.075 -14.961 -6.632 593 HE2 LYS 74 1HE LYS 74 0.314 -15.326 -4.572 594 HE3 LYS 74 2HE LYS 74 -1.084 -14.821 -3.624 595 HZ1 LYS 74 3HZ LYS 74 -0.966 -17.135 -5.479 596 HZ2 LYS 74 1HZ LYS 74 -2.351 -16.632 -4.642 597 HZ3 LYS 74 2HZ LYS 74 -1.007 -17.209 -3.786 598 H GLY 75 H GLY 75 1.353 -9.943 -9.003 599 HA2 GLY 75 1HA GLY 75 0.971 -8.791 -10.956 600 HA3 GLY 75 2HA GLY 75 -0.604 -9.574 -11.026 601 H THR 76 H THR 76 -2.290 -8.257 -10.904 602 HA THR 76 HA THR 76 -1.944 -5.589 -9.772 603 HB THR 76 HB THR 76 -4.310 -5.288 -10.717 604 HG1 THR 76 HG1 THR 76 -5.179 -7.033 -11.525 605 HG21 THR 76 3HG2 THR 76 -3.474 -4.959 -13.001 606 HG22 THR 76 1HG2 THR 76 -2.040 -5.910 -12.613 607 HG23 THR 76 2HG2 THR 76 -2.323 -4.367 -11.804 608 H ARG 77 H ARG 77 -2.882 -8.595 -8.745 609 HA ARG 77 HA ARG 77 -5.141 -7.828 -7.132 610 HB2 ARG 77 1HB ARG 77 -5.178 -10.074 -7.894 611 HB3 ARG 77 2HB ARG 77 -3.527 -10.362 -7.363 612 HG2 ARG 77 1HG ARG 77 -4.286 -10.128 -5.018 613 HG3 ARG 77 2HG ARG 77 -5.942 -9.974 -5.607 614 HD2 ARG 77 1HD ARG 77 -4.264 -12.325 -6.385 615 HD3 ARG 77 2HD ARG 77 -5.070 -12.287 -4.819 616 HE ARG 77 HE ARG 77 -7.142 -11.792 -6.336 617 HH11 ARG 77 1HH1 ARG 77 -4.492 -13.961 -7.097 618 HH12 ARG 77 2HH1 ARG 77 -5.500 -15.107 -7.916 619 HH21 ARG 77 1HH2 ARG 77 -8.469 -13.323 -7.407 620 HH22 ARG 77 2HH2 ARG 77 -7.748 -14.752 -8.100 621 H PHE 78 H PHE 78 -4.743 -6.457 -5.530 622 HA PHE 78 HA PHE 78 -2.424 -6.537 -3.867 623 HB2 PHE 78 1HB PHE 78 -3.697 -4.465 -4.162 624 HB3 PHE 78 2HB PHE 78 -5.128 -5.220 -3.473 625 HD1 PHE 78 HD1 PHE 78 -1.749 -3.960 -2.720 626 HD2 PHE 78 HD2 PHE 78 -5.437 -5.363 -1.127 627 HE1 PHE 78 HE1 PHE 78 -1.082 -3.169 -0.488 628 HE2 PHE 78 HE2 PHE 78 -4.776 -4.578 1.108 629 HZ PHE 78 HZ PHE 78 -2.597 -3.477 1.430 630 H VAL 79 H VAL 79 -2.034 -8.149 -2.466 631 HA VAL 79 HA VAL 79 -4.288 -9.706 -1.454 632 HB VAL 79 HB VAL 79 -1.322 -10.246 -1.204 633 HG11 VAL 79 1HG1 VAL 79 -3.688 -12.013 -0.583 634 HG12 VAL 79 2HG1 VAL 79 -2.613 -11.269 0.600 635 HG13 VAL 79 3HG1 VAL 79 -1.993 -12.492 -0.509 636 HG21 VAL 79 3HG2 VAL 79 -1.709 -11.969 -2.909 637 HG22 VAL 79 1HG2 VAL 79 -2.070 -10.352 -3.518 638 HG23 VAL 79 2HG2 VAL 79 -3.384 -11.435 -3.059 639 H GLY 80 H GLY 80 -1.402 -8.017 -0.184 640 HA2 GLY 80 1HA GLY 80 -2.764 -6.747 1.883 641 HA3 GLY 80 2HA GLY 80 -2.183 -8.273 2.530 642 H PHE 81 H PHE 81 -1.490 -5.470 3.150 643 HA PHE 81 HA PHE 81 1.384 -5.493 2.559 644 HB2 PHE 81 1HB PHE 81 0.172 -3.374 2.150 645 HB3 PHE 81 2HB PHE 81 -0.339 -3.346 3.832 646 HD1 PHE 81 HD1 PHE 81 2.495 -2.936 1.543 647 HD2 PHE 81 HD2 PHE 81 1.166 -2.674 5.577 648 HE1 PHE 81 HE1 PHE 81 4.527 -1.680 2.129 649 HE2 PHE 81 HE2 PHE 81 3.195 -1.417 6.168 650 HZ PHE 81 HZ PHE 81 4.879 -0.920 4.444 651 H VAL 82 H VAL 82 2.826 -6.025 4.121 652 HA VAL 82 HA VAL 82 1.769 -6.395 6.847 653 HB VAL 82 HB VAL 82 3.695 -8.283 5.479 654 HG11 VAL 82 1HG1 VAL 82 2.276 -8.450 8.136 655 HG12 VAL 82 2HG1 VAL 82 3.999 -8.167 7.884 656 HG13 VAL 82 3HG1 VAL 82 3.284 -9.715 7.431 657 HG21 VAL 82 3HG2 VAL 82 1.845 -9.896 5.456 658 HG22 VAL 82 1HG2 VAL 82 1.491 -8.479 4.467 659 HG23 VAL 82 2HG2 VAL 82 0.756 -8.649 6.063 660 H SER 83 H SER 83 2.806 -5.021 8.121 661 HA SER 83 HA SER 83 5.524 -4.196 7.598 662 HB2 SER 83 1HB SER 83 3.741 -2.676 8.563 663 HB3 SER 83 2HB SER 83 3.827 -3.625 10.046 664 HG SER 83 HG SER 83 5.377 -1.595 9.276 665 H ARG 84 H ARG 84 7.313 -4.661 9.016 666 HA ARG 84 HA ARG 84 7.061 -7.354 10.107 667 HB2 ARG 84 1HB ARG 84 9.536 -5.683 9.630 668 HB3 ARG 84 2HB ARG 84 9.525 -7.357 10.167 669 HG2 ARG 84 1HG ARG 84 8.273 -7.878 8.016 670 HG3 ARG 84 2HG ARG 84 8.721 -6.254 7.494 671 HD2 ARG 84 1HD ARG 84 11.106 -6.857 7.945 672 HD3 ARG 84 2HD ARG 84 10.574 -8.510 8.243 673 HE ARG 84 HE ARG 84 10.761 -7.156 5.682 674 HH11 ARG 84 1HH1 ARG 84 9.513 -9.921 7.438 675 HH12 ARG 84 2HH1 ARG 84 9.362 -10.915 6.015 676 HH21 ARG 84 1HH2 ARG 84 10.584 -8.470 3.808 677 HH22 ARG 84 2HH2 ARG 84 9.962 -10.089 3.955 678 H THR 85 H THR 85 6.539 -4.430 11.334 679 HA THR 85 HA THR 85 7.378 -5.307 14.003 680 HB THR 85 HB THR 85 8.948 -3.580 13.424 681 HG1 THR 85 HG1 THR 85 7.508 -3.486 15.537 682 HG21 THR 85 3HG2 THR 85 6.577 -1.818 12.797 683 HG22 THR 85 1HG2 THR 85 7.713 -2.488 11.625 684 HG23 THR 85 2HG2 THR 85 8.265 -1.308 12.813 685 HA PRO 86 HA PRO 86 3.018 -4.460 14.597 686 HB2 PRO 86 1HB PRO 86 2.693 -5.949 16.785 687 HB3 PRO 86 2HB PRO 86 2.989 -6.707 15.216 688 HG2 PRO 86 1HG PRO 86 4.876 -6.251 17.486 689 HG3 PRO 86 2HG PRO 86 4.735 -7.651 16.408 690 HD2 PRO 86 1HD PRO 86 6.591 -5.588 16.149 691 HD3 PRO 86 2HD PRO 86 6.133 -6.728 14.869 692 H ASP 87 H ASP 87 5.112 -2.616 15.498 693 HA ASP 87 HA ASP 87 4.173 -1.877 18.178 694 HB2 ASP 87 1HB ASP 87 6.662 -1.066 16.661 695 HB3 ASP 87 2HB ASP 87 6.206 -0.417 18.232 696 H ASN 88 H ASN 88 2.345 -0.738 17.795 697 HA ASN 88 HA ASN 88 2.226 1.213 15.672 698 HB2 ASN 88 1HB ASN 88 0.217 0.453 17.802 699 HB3 ASN 88 2HB ASN 88 -0.087 1.640 16.538 700 HD21 ASN 88 2HD2 ASN 88 -1.709 0.554 15.509 701 HD22 ASN 88 1HD2 ASN 88 -1.467 -0.948 14.683 702 H GLU 89 H GLU 89 4.185 1.677 17.741 703 HA GLU 89 HA GLU 89 3.338 3.750 19.482 704 HB2 GLU 89 1HB GLU 89 5.438 2.407 19.741 705 HB3 GLU 89 2HB GLU 89 6.112 3.276 18.370 706 HG2 GLU 89 1HG GLU 89 5.874 5.381 19.617 707 HG3 GLU 89 2HG GLU 89 5.264 4.472 20.999 708 H LEU 90 H LEU 90 4.205 3.591 16.149 709 HA LEU 90 HA LEU 90 4.728 6.290 15.594 710 HB2 LEU 90 1HB LEU 90 3.352 4.255 13.836 711 HB3 LEU 90 2HB LEU 90 4.103 5.742 13.292 712 HG LEU 90 HG LEU 90 5.567 3.423 14.557 713 HD11 LEU 90 1HD1 LEU 90 4.711 2.865 12.343 714 HD12 LEU 90 2HD1 LEU 90 6.466 3.036 12.322 715 HD13 LEU 90 3HD1 LEU 90 5.446 4.326 11.684 716 HD21 LEU 90 3HD2 LEU 90 6.592 5.954 13.279 717 HD22 LEU 90 1HD2 LEU 90 7.583 4.614 13.853 718 HD23 LEU 90 2HD2 LEU 90 6.638 5.566 14.998 719 H GLU 91 H GLU 91 1.747 4.542 16.111 720 HA GLU 91 HA GLU 91 0.107 6.820 15.355 721 HB2 GLU 91 1HB GLU 91 -0.621 4.486 14.852 722 HB3 GLU 91 2HB GLU 91 -0.718 4.175 16.580 723 HG2 GLU 91 1HG GLU 91 -2.230 6.508 16.025 724 HG3 GLU 91 2HG GLU 91 -2.682 5.270 14.856 725 H HIS 92 H HIS 92 1.270 5.151 18.201 726 HA HIS 92 HA HIS 92 -0.401 6.451 20.084 727 HB2 HIS 92 1HB HIS 92 1.081 4.308 20.330 728 HB3 HIS 92 2HB HIS 92 2.331 5.452 20.808 729 HD1 HIS 92 HD1 HIS 92 -1.291 4.752 21.762 730 HD2 HIS 92 HD2 HIS 92 2.328 5.874 23.480 731 HE1 HIS 92 HE1 HIS 92 -1.726 4.892 24.238 732 HE2 HIS 92 HE2 HIS 92 0.538 5.313 25.262 733 H HIS 93 H HIS 93 2.666 7.278 18.604 734 HA HIS 93 HA HIS 93 2.716 9.822 20.031 735 HB2 HIS 93 1HB HIS 93 4.493 8.626 17.899 736 HB3 HIS 93 2HB HIS 93 4.625 10.311 18.387 737 HD1 HIS 93 HD1 HIS 93 6.816 7.996 18.774 738 HD2 HIS 93 HD2 HIS 93 4.306 9.596 21.681 739 HE1 HIS 93 HE1 HIS 93 7.969 7.587 20.970 740 HE2 HIS 93 HE2 HIS 93 6.549 8.773 22.681 741 H HIS 94 H HIS 94 0.686 10.592 19.381 742 HA HIS 94 HA HIS 94 -0.053 10.606 16.604 743 HB2 HIS 94 1HB HIS 94 -1.599 10.372 18.660 744 HB3 HIS 94 2HB HIS 94 -1.464 12.120 18.794 745 HD1 HIS 94 HD1 HIS 94 -3.454 9.546 17.259 746 HD2 HIS 94 HD2 HIS 94 -2.376 13.449 16.286 747 HE1 HIS 94 HE1 HIS 94 -5.112 10.299 15.521 748 HE2 HIS 94 HE2 HIS 94 -4.386 12.629 14.876 749 H HIS 95 H HIS 95 0.963 11.955 15.284 750 HA HIS 95 HA HIS 95 1.687 14.643 16.228 751 HB2 HIS 95 1HB HIS 95 2.398 13.308 13.606 752 HB3 HIS 95 2HB HIS 95 3.071 14.803 14.238 753 HD1 HIS 95 HD1 HIS 95 4.403 11.855 13.514 754 HD2 HIS 95 HD2 HIS 95 3.976 13.726 17.208 755 HE1 HIS 95 HE1 HIS 95 6.159 10.835 15.000 756 HE2 HIS 95 HE2 HIS 95 5.985 12.085 17.179 757 H HIS 96 H HIS 96 1.071 16.524 15.038 758 HA HIS 96 HA HIS 96 -1.403 16.341 13.564 759 HB2 HIS 96 1HB HIS 96 0.487 18.685 13.922 760 HB3 HIS 96 2HB HIS 96 -1.108 18.778 13.190 761 HD1 HIS 96 HD1 HIS 96 0.397 19.736 16.130 762 HD2 HIS 96 HD2 HIS 96 -3.040 17.534 15.345 763 HE1 HIS 96 HE1 HIS 96 -1.011 19.916 18.207 764 HE2 HIS 96 HE2 HIS 96 -3.179 18.787 17.607 765 H HIS 97 H HIS 97 1.955 16.352 12.936 766 HA HIS 97 HA HIS 97 1.472 15.951 10.084 767 HB2 HIS 97 1HB HIS 97 2.154 18.276 10.237 768 HB3 HIS 97 2HB HIS 97 3.503 17.854 11.283 769 HD1 HIS 97 HD1 HIS 97 5.641 17.038 10.183 770 HD2 HIS 97 HD2 HIS 97 2.542 17.686 7.492 771 HE1 HIS 97 HE1 HIS 97 6.699 16.956 7.904 772 HE2 HIS 97 HE2 HIS 97 4.858 17.655 6.335 Start of MODEL 9 1 H1 MET 1 1H MET 1 9.279 -14.569 -6.180 2 H2 MET 1 2H MET 1 10.157 -15.829 -6.890 3 H3 MET 1 3H MET 1 10.908 -14.800 -5.768 4 HA MET 1 HA MET 1 10.387 -16.937 -4.792 5 HB2 MET 1 1HB MET 1 8.736 -14.624 -3.755 6 HB3 MET 1 2HB MET 1 9.057 -16.095 -2.849 7 HG2 MET 1 1HG MET 1 11.444 -15.615 -2.899 8 HG3 MET 1 2HG MET 1 11.135 -14.151 -3.829 9 HE1 MET 1 3HE MET 1 9.127 -11.983 -1.240 10 HE2 MET 1 1HE MET 1 8.451 -13.093 -2.431 11 HE3 MET 1 2HE MET 1 9.802 -12.047 -2.869 12 H ALA 2 H ALA 2 7.275 -15.220 -4.995 13 HA ALA 2 HA ALA 2 6.010 -17.641 -6.043 14 HB1 ALA 2 3HB ALA 2 5.072 -16.189 -3.564 15 HB2 ALA 2 1HB ALA 2 5.823 -17.784 -3.601 16 HB3 ALA 2 2HB ALA 2 4.245 -17.535 -4.348 17 HA PRO 3 HA PRO 3 3.462 -14.931 -8.501 18 HB2 PRO 3 1HB PRO 3 1.064 -16.174 -7.243 19 HB3 PRO 3 2HB PRO 3 1.463 -15.973 -8.954 20 HG2 PRO 3 1HG PRO 3 1.696 -18.351 -7.803 21 HG3 PRO 3 2HG PRO 3 2.916 -17.790 -8.963 22 HD2 PRO 3 1HD PRO 3 3.050 -17.908 -5.977 23 HD3 PRO 3 2HD PRO 3 4.311 -18.257 -7.177 24 H LEU 4 H LEU 4 2.480 -15.304 -5.113 25 HA LEU 4 HA LEU 4 1.388 -12.646 -4.959 26 HB2 LEU 4 1HB LEU 4 0.755 -14.492 -3.373 27 HB3 LEU 4 2HB LEU 4 2.372 -14.405 -2.706 28 HG LEU 4 HG LEU 4 1.939 -12.064 -2.030 29 HD11 LEU 4 1HD1 LEU 4 0.240 -11.521 -3.685 30 HD12 LEU 4 2HD1 LEU 4 -0.354 -11.232 -2.050 31 HD13 LEU 4 3HD1 LEU 4 -0.871 -12.668 -2.935 32 HD21 LEU 4 3HD2 LEU 4 1.635 -13.886 -0.445 33 HD22 LEU 4 1HD2 LEU 4 -0.027 -14.102 -0.994 34 HD23 LEU 4 2HD2 LEU 4 0.445 -12.614 -0.172 35 H GLN 5 H GLN 5 2.761 -11.013 -5.374 36 HA GLN 5 HA GLN 5 5.575 -11.366 -4.881 37 HB2 GLN 5 1HB GLN 5 4.671 -10.193 -6.900 38 HB3 GLN 5 2HB GLN 5 4.130 -8.893 -5.848 39 HG2 GLN 5 1HG GLN 5 6.248 -8.391 -6.985 40 HG3 GLN 5 2HG GLN 5 6.398 -8.384 -5.228 41 HE21 GLN 5 2HE2 GLN 5 7.668 -9.904 -4.227 42 HE22 GLN 5 1HE2 GLN 5 8.707 -10.989 -5.089 43 H GLN 6 H GLN 6 6.300 -11.178 -2.908 44 HA GLN 6 HA GLN 6 5.297 -9.007 -1.211 45 HB2 GLN 6 1HB GLN 6 6.895 -11.478 -0.516 46 HB3 GLN 6 2HB GLN 6 6.514 -10.198 0.627 47 HG2 GLN 6 1HG GLN 6 4.101 -10.636 0.207 48 HG3 GLN 6 2HG GLN 6 4.578 -12.024 -0.770 49 HE21 GLN 6 2HE2 GLN 6 3.030 -11.854 1.719 50 HE22 GLN 6 1HE2 GLN 6 3.849 -12.878 2.849 51 H LYS 7 H LYS 7 6.481 -7.234 -1.136 52 HA LYS 7 HA LYS 7 9.396 -7.482 -1.288 53 HB2 LYS 7 1HB LYS 7 8.289 -6.848 -3.548 54 HB3 LYS 7 2HB LYS 7 7.983 -5.290 -2.788 55 HG2 LYS 7 1HG LYS 7 10.511 -5.335 -2.245 56 HG3 LYS 7 2HG LYS 7 10.584 -6.561 -3.511 57 HD2 LYS 7 1HD LYS 7 9.457 -4.942 -5.039 58 HD3 LYS 7 2HD LYS 7 9.608 -3.721 -3.772 59 HE2 LYS 7 1HE LYS 7 11.811 -5.144 -5.246 60 HE3 LYS 7 2HE LYS 7 11.443 -3.420 -5.251 61 HZ1 LYS 7 3HZ LYS 7 12.448 -4.992 -2.933 62 HZ2 LYS 7 1HZ LYS 7 12.054 -3.344 -2.896 63 HZ3 LYS 7 2HZ LYS 7 13.340 -3.884 -3.856 64 H GLN 8 H GLN 8 10.516 -5.644 -0.397 65 HA GLN 8 HA GLN 8 8.989 -4.239 1.636 66 HB2 GLN 8 1HB GLN 8 11.948 -4.117 1.002 67 HB3 GLN 8 2HB GLN 8 11.164 -3.444 2.426 68 HG2 GLN 8 1HG GLN 8 10.530 -5.689 3.145 69 HG3 GLN 8 2HG GLN 8 11.306 -6.366 1.715 70 HE21 GLN 8 2HE2 GLN 8 11.868 -6.884 4.505 71 HE22 GLN 8 1HE2 GLN 8 13.529 -6.474 4.750 72 H VAL 9 H VAL 9 7.992 -2.427 1.107 73 HA VAL 9 HA VAL 9 9.159 -0.745 -1.017 74 HB VAL 9 HB VAL 9 6.831 -0.075 -1.610 75 HG11 VAL 9 1HG1 VAL 9 7.444 -3.019 -1.856 76 HG12 VAL 9 2HG1 VAL 9 8.013 -1.743 -2.933 77 HG13 VAL 9 3HG1 VAL 9 6.293 -2.123 -2.848 78 HG21 VAL 9 3HG2 VAL 9 6.063 -2.363 0.202 79 HG22 VAL 9 1HG2 VAL 9 4.969 -1.489 -0.871 80 HG23 VAL 9 2HG2 VAL 9 5.730 -0.655 0.485 81 H VAL 10 H VAL 10 8.027 1.496 -0.979 82 HA VAL 10 HA VAL 10 8.034 2.473 1.803 83 HB VAL 10 HB VAL 10 8.694 4.046 -0.697 84 HG11 VAL 10 1HG1 VAL 10 8.989 4.750 2.220 85 HG12 VAL 10 2HG1 VAL 10 7.804 5.419 1.099 86 HG13 VAL 10 3HG1 VAL 10 9.521 5.742 0.863 87 HG21 VAL 10 3HG2 VAL 10 10.393 2.343 -0.279 88 HG22 VAL 10 1HG2 VAL 10 10.579 2.930 1.374 89 HG23 VAL 10 2HG2 VAL 10 11.020 3.965 0.014 90 H VAL 11 H VAL 11 6.182 3.362 2.518 91 HA VAL 11 HA VAL 11 4.003 3.890 0.685 92 HB VAL 11 HB VAL 11 4.128 4.434 3.658 93 HG11 VAL 11 1HG1 VAL 11 2.364 5.661 2.519 94 HG12 VAL 11 2HG1 VAL 11 1.681 4.384 3.526 95 HG13 VAL 11 3HG1 VAL 11 1.783 4.169 1.779 96 HG21 VAL 11 3HG2 VAL 11 2.933 2.305 3.928 97 HG22 VAL 11 1HG2 VAL 11 4.537 2.076 3.230 98 HG23 VAL 11 2HG2 VAL 11 3.108 1.997 2.200 99 H SER 12 H SER 12 4.422 5.631 -0.554 100 HA SER 12 HA SER 12 5.951 7.855 0.347 101 HB2 SER 12 1HB SER 12 4.211 7.778 -2.116 102 HB3 SER 12 2HB SER 12 5.670 8.730 -1.850 103 HG SER 12 HG SER 12 5.897 6.778 -3.168 104 H ASN 13 H ASN 13 2.525 7.603 -0.626 105 HA ASN 13 HA ASN 13 1.704 9.617 1.240 106 HB2 ASN 13 1HB ASN 13 2.766 11.008 -0.528 107 HB3 ASN 13 2HB ASN 13 1.680 10.300 -1.716 108 HD21 ASN 13 2HD2 ASN 13 0.765 12.239 -2.279 109 HD22 ASN 13 1HD2 ASN 13 -0.301 13.115 -1.238 110 H LYS 14 H LYS 14 -0.647 10.076 1.009 111 HA LYS 14 HA LYS 14 -2.048 7.685 0.066 112 HB2 LYS 14 1HB LYS 14 -3.946 8.539 1.399 113 HB3 LYS 14 2HB LYS 14 -2.492 8.339 2.369 114 HG2 LYS 14 1HG LYS 14 -2.119 10.649 2.489 115 HG3 LYS 14 2HG LYS 14 -3.239 10.984 1.168 116 HD2 LYS 14 1HD LYS 14 -5.115 10.321 2.557 117 HD3 LYS 14 2HD LYS 14 -4.017 9.888 3.869 118 HE2 LYS 14 1HE LYS 14 -3.339 12.166 4.135 119 HE3 LYS 14 2HE LYS 14 -4.224 12.651 2.689 120 HZ1 LYS 14 3HZ LYS 14 -5.546 11.488 5.076 121 HZ2 LYS 14 1HZ LYS 14 -6.276 12.276 3.760 122 HZ3 LYS 14 2HZ LYS 14 -5.328 13.156 4.861 123 H ARG 15 H ARG 15 -4.043 7.895 -1.114 124 HA ARG 15 HA ARG 15 -4.567 10.485 -2.380 125 HB2 ARG 15 1HB ARG 15 -4.506 7.955 -4.025 126 HB3 ARG 15 2HB ARG 15 -4.667 9.608 -4.595 127 HG2 ARG 15 1HG ARG 15 -2.331 10.016 -3.810 128 HG3 ARG 15 2HG ARG 15 -2.209 8.284 -3.484 129 HD2 ARG 15 1HD ARG 15 -3.028 8.041 -5.942 130 HD3 ARG 15 2HD ARG 15 -2.475 9.708 -6.098 131 HE ARG 15 HE ARG 15 -0.819 7.346 -5.600 132 HH11 ARG 15 1HH1 ARG 15 -1.027 10.811 -6.064 133 HH12 ARG 15 2HH1 ARG 15 0.657 10.998 -6.440 134 HH21 ARG 15 1HH2 ARG 15 1.376 7.568 -6.106 135 HH22 ARG 15 2HH2 ARG 15 2.034 9.131 -6.493 136 H GLU 16 H GLU 16 -6.708 10.417 -3.550 137 HA GLU 16 HA GLU 16 -8.381 8.113 -2.967 138 HB2 GLU 16 1HB GLU 16 -8.858 9.685 -1.096 139 HB3 GLU 16 2HB GLU 16 -9.307 10.915 -2.273 140 HG2 GLU 16 1HG GLU 16 -11.075 9.382 -3.112 141 HG3 GLU 16 2HG GLU 16 -10.670 8.273 -1.805 142 H LYS 17 H LYS 17 -8.485 7.605 -5.116 143 HA LYS 17 HA LYS 17 -9.407 9.638 -6.983 144 HB2 LYS 17 1HB LYS 17 -8.771 6.711 -7.383 145 HB3 LYS 17 2HB LYS 17 -9.265 7.808 -8.667 146 HG2 LYS 17 1HG LYS 17 -6.788 8.090 -6.977 147 HG3 LYS 17 2HG LYS 17 -6.848 7.475 -8.630 148 HD2 LYS 17 1HD LYS 17 -7.631 9.608 -9.440 149 HD3 LYS 17 2HD LYS 17 -7.742 10.231 -7.791 150 HE2 LYS 17 1HE LYS 17 -5.337 10.028 -7.529 151 HE3 LYS 17 2HE LYS 17 -5.202 9.329 -9.142 152 HZ1 LYS 17 3HZ LYS 17 -6.320 12.033 -8.665 153 HZ2 LYS 17 1HZ LYS 17 -5.799 11.359 -10.133 154 HZ3 LYS 17 2HZ LYS 17 -4.668 11.762 -8.937 155 HA PRO 18 HA PRO 18 -13.645 8.547 -5.991 156 HB2 PRO 18 1HB PRO 18 -14.721 10.317 -7.797 157 HB3 PRO 18 2HB PRO 18 -14.241 10.748 -6.153 158 HG2 PRO 18 1HG PRO 18 -12.778 11.153 -8.725 159 HG3 PRO 18 2HG PRO 18 -12.905 12.233 -7.323 160 HD2 PRO 18 1HD PRO 18 -10.710 10.733 -7.799 161 HD3 PRO 18 2HD PRO 18 -11.260 11.112 -6.154 162 H VAL 19 H VAL 19 -14.062 6.589 -6.796 163 HA VAL 19 HA VAL 19 -13.583 5.715 -9.411 164 HB VAL 19 HB VAL 19 -15.628 4.609 -7.473 165 HG11 VAL 19 1HG1 VAL 19 -15.888 3.736 -9.727 166 HG12 VAL 19 2HG1 VAL 19 -15.259 2.490 -8.649 167 HG13 VAL 19 3HG1 VAL 19 -14.178 3.309 -9.777 168 HG21 VAL 19 3HG2 VAL 19 -12.696 3.957 -7.760 169 HG22 VAL 19 1HG2 VAL 19 -13.841 3.085 -6.741 170 HG23 VAL 19 2HG2 VAL 19 -13.459 4.772 -6.395 171 H ASN 20 H ASN 20 -16.210 7.464 -8.005 172 HA ASN 20 HA ASN 20 -18.155 8.301 -8.786 173 HB2 ASN 20 1HB ASN 20 -16.679 7.896 -11.371 174 HB3 ASN 20 2HB ASN 20 -18.365 8.401 -11.387 175 HD21 ASN 20 2HD2 ASN 20 -15.106 9.300 -10.540 176 HD22 ASN 20 1HD2 ASN 20 -15.427 10.985 -10.337 177 H ASP 21 H ASP 21 -19.134 6.506 -7.797 178 HA ASP 21 HA ASP 21 -19.624 4.030 -8.969 179 HB2 ASP 21 1HB ASP 21 -21.401 5.522 -7.023 180 HB3 ASP 21 2HB ASP 21 -21.401 3.785 -7.311 181 H ARG 22 H ARG 22 -21.405 7.053 -9.120 182 HA ARG 22 HA ARG 22 -22.973 5.915 -11.340 183 HB2 ARG 22 1HB ARG 22 -23.821 8.235 -9.604 184 HB3 ARG 22 2HB ARG 22 -24.790 7.381 -10.798 185 HG2 ARG 22 1HG ARG 22 -24.469 5.320 -9.326 186 HG3 ARG 22 2HG ARG 22 -23.905 6.448 -8.090 187 HD2 ARG 22 1HD ARG 22 -26.219 6.102 -7.703 188 HD3 ARG 22 2HD ARG 22 -26.055 7.708 -8.414 189 HE ARG 22 HE ARG 22 -26.537 5.666 -10.372 190 HH11 ARG 22 1HH1 ARG 22 -28.043 7.893 -8.122 191 HH12 ARG 22 2HH1 ARG 22 -29.607 7.802 -8.889 192 HH21 ARG 22 1HH2 ARG 22 -28.592 5.556 -11.379 193 HH22 ARG 22 2HH2 ARG 22 -29.907 6.498 -10.746 194 H ARG 23 H ARG 23 -22.880 6.944 -13.254 195 HA ARG 23 HA ARG 23 -21.124 9.272 -13.443 196 HB2 ARG 23 1HB ARG 23 -22.251 7.390 -15.514 197 HB3 ARG 23 2HB ARG 23 -21.333 8.832 -15.928 198 HG2 ARG 23 1HG ARG 23 -20.184 6.805 -14.061 199 HG3 ARG 23 2HG ARG 23 -20.137 6.543 -15.804 200 HD2 ARG 23 1HD ARG 23 -18.079 7.574 -15.056 201 HD3 ARG 23 2HD ARG 23 -18.976 8.682 -16.086 202 HE ARG 23 HE ARG 23 -19.174 8.937 -13.167 203 HH11 ARG 23 1HH1 ARG 23 -18.261 10.245 -16.289 204 HH12 ARG 23 2HH1 ARG 23 -17.829 11.802 -15.645 205 HH21 ARG 23 1HH2 ARG 23 -18.600 11.020 -12.328 206 HH22 ARG 23 2HH2 ARG 23 -18.012 12.237 -13.426 207 H SER 24 H SER 24 -22.406 10.947 -12.740 208 HA SER 24 HA SER 24 -24.895 11.433 -14.204 209 HB2 SER 24 1HB SER 24 -25.288 13.142 -12.386 210 HB3 SER 24 2HB SER 24 -25.209 11.471 -11.825 211 HG SER 24 HG SER 24 -23.569 13.595 -11.269 212 H ARG 25 H ARG 25 -25.230 13.302 -15.354 213 HA ARG 25 HA ARG 25 -22.979 14.664 -16.417 214 HB2 ARG 25 1HB ARG 25 -25.903 15.433 -16.488 215 HB3 ARG 25 2HB ARG 25 -24.642 16.142 -17.485 216 HG2 ARG 25 1HG ARG 25 -24.288 14.057 -18.618 217 HG3 ARG 25 2HG ARG 25 -25.413 13.235 -17.533 218 HD2 ARG 25 1HD ARG 25 -27.214 14.725 -18.352 219 HD3 ARG 25 2HD ARG 25 -26.074 15.419 -19.503 220 HE ARG 25 HE ARG 25 -26.022 13.344 -20.661 221 HH11 ARG 25 1HH1 ARG 25 -28.355 13.468 -18.050 222 HH12 ARG 25 2HH1 ARG 25 -29.339 12.182 -18.690 223 HH21 ARG 25 1HH2 ARG 25 -27.291 11.620 -21.493 224 HH22 ARG 25 2HH2 ARG 25 -28.716 11.113 -20.630 225 H GLN 26 H GLN 26 -25.433 15.531 -14.024 226 HA GLN 26 HA GLN 26 -24.005 18.006 -13.421 227 HB2 GLN 26 1HB GLN 26 -26.613 16.944 -12.316 228 HB3 GLN 26 2HB GLN 26 -25.934 18.535 -11.997 229 HG2 GLN 26 1HG GLN 26 -26.121 19.087 -14.372 230 HG3 GLN 26 2HG GLN 26 -26.814 17.497 -14.682 231 HE21 GLN 26 2HE2 GLN 26 -27.947 20.125 -15.154 232 HE22 GLN 26 1HE2 GLN 26 -29.431 20.176 -14.256 233 H GLN 27 H GLN 27 -23.291 18.488 -11.290 234 HA GLN 27 HA GLN 27 -22.814 16.146 -9.596 235 HB2 GLN 27 1HB GLN 27 -20.723 18.157 -10.464 236 HB3 GLN 27 2HB GLN 27 -20.468 16.850 -9.315 237 HG2 GLN 27 1HG GLN 27 -20.757 15.203 -11.013 238 HG3 GLN 27 2HG GLN 27 -21.281 16.418 -12.177 239 HE21 GLN 27 2HE2 GLN 27 -19.091 14.511 -12.330 240 HE22 GLN 27 1HE2 GLN 27 -17.654 15.445 -12.582 241 H GLU 28 H GLU 28 -21.394 17.199 -7.621 242 HA GLU 28 HA GLU 28 -23.151 19.228 -6.479 243 HB2 GLU 28 1HB GLU 28 -20.860 17.745 -5.187 244 HB3 GLU 28 2HB GLU 28 -22.111 18.672 -4.372 245 HG2 GLU 28 1HG GLU 28 -23.783 17.059 -5.044 246 HG3 GLU 28 2HG GLU 28 -22.569 16.152 -5.947 247 H VAL 29 H VAL 29 -22.564 21.330 -6.466 248 HA VAL 29 HA VAL 29 -19.973 22.137 -7.386 249 HB VAL 29 HB VAL 29 -22.088 23.841 -6.053 250 HG11 VAL 29 1HG1 VAL 29 -19.742 24.581 -7.797 251 HG12 VAL 29 2HG1 VAL 29 -19.871 24.852 -6.059 252 HG13 VAL 29 3HG1 VAL 29 -20.951 25.702 -7.168 253 HG21 VAL 29 3HG2 VAL 29 -21.616 23.297 -8.984 254 HG22 VAL 29 1HG2 VAL 29 -22.758 24.471 -8.330 255 HG23 VAL 29 2HG2 VAL 29 -22.996 22.750 -8.031 256 H SER 30 H SER 30 -21.670 22.079 -4.306 257 HA SER 30 HA SER 30 -19.085 22.384 -2.934 258 HB2 SER 30 1HB SER 30 -21.856 22.561 -1.723 259 HB3 SER 30 2HB SER 30 -20.329 23.011 -0.963 260 HG SER 30 HG SER 30 -20.128 24.606 -2.689 261 HA PRO 31 HA PRO 31 -20.076 17.924 -2.699 262 HB2 PRO 31 1HB PRO 31 -17.251 17.409 -2.957 263 HB3 PRO 31 2HB PRO 31 -18.530 17.102 -4.132 264 HG2 PRO 31 1HG PRO 31 -16.562 18.975 -4.485 265 HG3 PRO 31 2HG PRO 31 -18.163 19.073 -5.239 266 HD2 PRO 31 1HD PRO 31 -17.141 20.452 -2.782 267 HD3 PRO 31 2HD PRO 31 -18.137 21.097 -4.107 268 H ALA 32 H ALA 32 -18.884 16.117 -1.400 269 HA ALA 32 HA ALA 32 -18.834 16.925 1.317 270 HB1 ALA 32 3HB ALA 32 -17.976 14.304 0.100 271 HB2 ALA 32 1HB ALA 32 -19.611 14.716 0.615 272 HB3 ALA 32 2HB ALA 32 -18.315 14.595 1.805 273 H GLY 33 H GLY 33 -16.415 16.777 -1.096 274 HA2 GLY 33 1HA GLY 33 -14.292 17.768 -0.882 275 HA3 GLY 33 2HA GLY 33 -14.423 17.614 0.865 276 H THR 34 H THR 34 -14.860 15.039 1.316 277 HA THR 34 HA THR 34 -13.025 13.405 -0.236 278 HB THR 34 HB THR 34 -12.621 13.859 2.737 279 HG1 THR 34 HG1 THR 34 -11.518 14.985 0.477 280 HG21 THR 34 3HG2 THR 34 -11.102 12.105 0.799 281 HG22 THR 34 1HG2 THR 34 -12.156 11.543 2.098 282 HG23 THR 34 2HG2 THR 34 -10.661 12.398 2.482 283 H SER 35 H SER 35 -13.485 11.214 -0.068 284 HA SER 35 HA SER 35 -16.050 10.608 1.199 285 HB2 SER 35 1HB SER 35 -14.364 8.972 -0.722 286 HB3 SER 35 2HB SER 35 -15.993 8.568 -0.180 287 HG SER 35 HG SER 35 -15.229 10.868 -1.684 288 H MET 36 H MET 36 -15.448 7.741 1.355 289 HA MET 36 HA MET 36 -13.690 7.769 3.712 290 HB2 MET 36 1HB MET 36 -15.895 5.834 2.970 291 HB3 MET 36 2HB MET 36 -14.865 5.690 4.387 292 HG2 MET 36 1HG MET 36 -15.718 7.853 5.195 293 HG3 MET 36 2HG MET 36 -16.797 7.921 3.802 294 HE1 MET 36 3HE MET 36 -17.091 4.867 7.247 295 HE2 MET 36 1HE MET 36 -15.972 6.230 7.211 296 HE3 MET 36 2HE MET 36 -15.751 4.877 6.101 297 H ARG 37 H ARG 37 -12.765 7.670 0.994 298 HA ARG 37 HA ARG 37 -11.700 4.925 0.847 299 HB2 ARG 37 1HB ARG 37 -12.027 6.987 -1.347 300 HB3 ARG 37 2HB ARG 37 -11.283 5.408 -1.553 301 HG2 ARG 37 1HG ARG 37 -13.369 4.307 -1.097 302 HG3 ARG 37 2HG ARG 37 -14.137 5.846 -0.699 303 HD2 ARG 37 1HD ARG 37 -13.806 6.618 -2.984 304 HD3 ARG 37 2HD ARG 37 -12.989 5.109 -3.390 305 HE ARG 37 HE ARG 37 -15.253 4.069 -2.716 306 HH11 ARG 37 1HH1 ARG 37 -14.879 7.212 -4.214 307 HH12 ARG 37 2HH1 ARG 37 -16.390 7.136 -5.070 308 HH21 ARG 37 1HH2 ARG 37 -17.242 3.952 -3.847 309 HH22 ARG 37 2HH2 ARG 37 -17.742 5.274 -4.864 310 H TYR 38 H TYR 38 -9.535 4.669 1.029 311 HA TYR 38 HA TYR 38 -7.836 7.031 0.702 312 HB2 TYR 38 1HB TYR 38 -7.786 5.172 3.089 313 HB3 TYR 38 2HB TYR 38 -6.531 6.352 2.726 314 HD1 TYR 38 HD2 TYR 38 -7.343 8.828 2.481 315 HD2 TYR 38 HD1 TYR 38 -9.556 5.778 4.454 316 HE1 TYR 38 HE2 TYR 38 -8.597 10.547 3.714 317 HE2 TYR 38 HE1 TYR 38 -10.820 7.486 5.689 318 HH TYR 38 HH TYR 38 -10.583 10.871 4.924 319 H GLU 39 H GLU 39 -6.334 6.585 -0.722 320 HA GLU 39 HA GLU 39 -5.538 3.785 -1.121 321 HB2 GLU 39 1HB GLU 39 -5.052 6.175 -2.906 322 HB3 GLU 39 2HB GLU 39 -4.736 4.492 -3.301 323 HG2 GLU 39 1HG GLU 39 -7.135 4.022 -3.178 324 HG3 GLU 39 2HG GLU 39 -7.438 5.723 -2.823 325 H ALA 40 H ALA 40 -3.330 3.241 -1.264 326 HA ALA 40 HA ALA 40 -1.517 5.245 -0.083 327 HB1 ALA 40 3HB ALA 40 -1.430 2.251 0.276 328 HB2 ALA 40 1HB ALA 40 -1.990 3.418 1.475 329 HB3 ALA 40 2HB ALA 40 -0.300 3.413 0.970 330 H SER 41 H SER 41 0.392 5.602 -1.072 331 HA SER 41 HA SER 41 0.803 4.308 -3.656 332 HB2 SER 41 1HB SER 41 2.360 6.616 -2.475 333 HB3 SER 41 2HB SER 41 2.271 6.133 -4.168 334 HG SER 41 HG SER 41 0.170 7.204 -2.581 335 H PHE 42 H PHE 42 2.049 2.557 -3.691 336 HA PHE 42 HA PHE 42 4.173 2.297 -1.682 337 HB2 PHE 42 1HB PHE 42 2.952 0.188 -3.477 338 HB3 PHE 42 2HB PHE 42 4.157 -0.095 -2.223 339 HD1 PHE 42 HD2 PHE 42 3.508 0.542 0.180 340 HD2 PHE 42 HD1 PHE 42 0.694 0.071 -2.976 341 HE1 PHE 42 HE2 PHE 42 1.713 0.231 1.832 342 HE2 PHE 42 HE1 PHE 42 -1.106 -0.240 -1.330 343 HZ PHE 42 HZ PHE 42 -0.598 -0.161 1.079 344 H LYS 43 H LYS 43 6.086 2.910 -2.314 345 HA LYS 43 HA LYS 43 6.713 2.956 -5.169 346 HB2 LYS 43 1HB LYS 43 6.914 5.040 -3.861 347 HB3 LYS 43 2HB LYS 43 8.124 4.272 -2.845 348 HG2 LYS 43 1HG LYS 43 9.650 4.106 -4.677 349 HG3 LYS 43 2HG LYS 43 8.416 4.661 -5.811 350 HD2 LYS 43 1HD LYS 43 8.320 6.810 -4.611 351 HD3 LYS 43 2HD LYS 43 9.613 6.253 -3.548 352 HE2 LYS 43 1HE LYS 43 11.138 6.104 -5.392 353 HE3 LYS 43 2HE LYS 43 9.851 6.467 -6.542 354 HZ1 LYS 43 3HZ LYS 43 11.113 8.438 -6.175 355 HZ2 LYS 43 1HZ LYS 43 10.980 8.287 -4.488 356 HZ3 LYS 43 2HZ LYS 43 9.609 8.646 -5.423 357 HA PRO 44 HA PRO 44 9.524 -0.491 -4.604 358 HB2 PRO 44 1HB PRO 44 10.406 0.101 -7.323 359 HB3 PRO 44 2HB PRO 44 9.556 -1.320 -6.714 360 HG2 PRO 44 1HG PRO 44 8.388 0.490 -8.352 361 HG3 PRO 44 2HG PRO 44 7.485 -0.424 -7.129 362 HD2 PRO 44 1HD PRO 44 8.488 2.396 -7.033 363 HD3 PRO 44 2HD PRO 44 6.935 1.731 -6.481 364 H LEU 45 H LEU 45 11.691 -0.692 -4.177 365 HA LEU 45 HA LEU 45 13.211 1.794 -4.101 366 HB2 LEU 45 1HB LEU 45 13.614 -0.885 -2.782 367 HB3 LEU 45 2HB LEU 45 14.772 0.427 -2.665 368 HG LEU 45 HG LEU 45 11.908 0.606 -1.728 369 HD11 LEU 45 1HD1 LEU 45 12.843 0.445 0.530 370 HD12 LEU 45 2HD1 LEU 45 14.440 0.144 -0.155 371 HD13 LEU 45 3HD1 LEU 45 13.141 -1.022 -0.402 372 HD21 LEU 45 3HD2 LEU 45 14.288 2.417 -1.327 373 HD22 LEU 45 1HD2 LEU 45 12.698 2.632 -0.594 374 HD23 LEU 45 2HD2 LEU 45 12.886 2.750 -2.345 375 H ASN 46 H ASN 46 12.967 -0.871 -6.117 376 HA ASN 46 HA ASN 46 15.804 -0.700 -6.895 377 HB2 ASN 46 1HB ASN 46 13.845 -2.979 -7.260 378 HB3 ASN 46 2HB ASN 46 15.495 -2.967 -7.871 379 HD21 ASN 46 2HD2 ASN 46 17.209 -3.181 -6.434 380 HD22 ASN 46 1HD2 ASN 46 16.973 -3.757 -4.809 381 H GLY 47 H GLY 47 13.657 1.077 -7.736 382 HA2 GLY 47 1HA GLY 47 13.353 2.182 -9.778 383 HA3 GLY 47 2HA GLY 47 13.993 0.772 -10.611 384 H GLY 48 H GLY 48 11.392 2.516 -10.629 385 HA2 GLY 48 1HA GLY 48 9.658 1.004 -11.929 386 HA3 GLY 48 2HA GLY 48 9.410 0.400 -10.297 387 H LEU 49 H LEU 49 7.323 1.495 -11.634 388 HA LEU 49 HA LEU 49 7.023 4.259 -10.796 389 HB2 LEU 49 1HB LEU 49 5.051 2.349 -12.059 390 HB3 LEU 49 2HB LEU 49 4.763 4.054 -11.773 391 HG LEU 49 HG LEU 49 6.855 2.923 -13.634 392 HD11 LEU 49 1HD1 LEU 49 5.432 3.800 -15.411 393 HD12 LEU 49 2HD1 LEU 49 4.239 4.303 -14.214 394 HD13 LEU 49 3HD1 LEU 49 4.579 2.589 -14.453 395 HD21 LEU 49 3HD2 LEU 49 7.547 5.043 -12.655 396 HD22 LEU 49 1HD2 LEU 49 6.004 5.768 -13.107 397 HD23 LEU 49 2HD2 LEU 49 7.133 5.247 -14.357 398 H GLU 50 H GLU 50 5.474 4.966 -9.281 399 HA GLU 50 HA GLU 50 5.214 3.313 -6.987 400 HB2 GLU 50 1HB GLU 50 3.878 5.943 -7.659 401 HB3 GLU 50 2HB GLU 50 3.876 5.184 -6.073 402 HG2 GLU 50 1HG GLU 50 6.304 5.388 -5.964 403 HG3 GLU 50 2HG GLU 50 6.312 6.140 -7.559 404 H LYS 51 H LYS 51 3.689 1.860 -6.529 405 HA LYS 51 HA LYS 51 1.309 1.746 -8.221 406 HB2 LYS 51 1HB LYS 51 2.457 -0.209 -6.227 407 HB3 LYS 51 2HB LYS 51 0.905 -0.438 -7.013 408 HG2 LYS 51 1HG LYS 51 2.161 -0.291 -9.216 409 HG3 LYS 51 2HG LYS 51 3.637 -0.443 -8.256 410 HD2 LYS 51 1HD LYS 51 2.868 -2.560 -7.355 411 HD3 LYS 51 2HD LYS 51 1.334 -2.394 -8.208 412 HE2 LYS 51 1HE LYS 51 2.597 -3.881 -9.510 413 HE3 LYS 51 2HE LYS 51 2.710 -2.335 -10.347 414 HZ1 LYS 51 3HZ LYS 51 4.889 -1.993 -9.411 415 HZ2 LYS 51 1HZ LYS 51 4.846 -3.492 -10.204 416 HZ3 LYS 51 2HZ LYS 51 4.774 -3.430 -8.514 417 H THR 52 H THR 52 -0.418 2.827 -7.563 418 HA THR 52 HA THR 52 -0.788 3.279 -4.687 419 HB THR 52 HB THR 52 -2.299 4.571 -6.966 420 HG1 THR 52 HG1 THR 52 -0.336 5.443 -7.226 421 HG21 THR 52 3HG2 THR 52 -3.457 4.615 -4.808 422 HG22 THR 52 1HG2 THR 52 -2.919 6.229 -5.272 423 HG23 THR 52 2HG2 THR 52 -2.026 5.320 -4.051 424 H PHE 53 H PHE 53 -1.947 1.751 -3.730 425 HA PHE 53 HA PHE 53 -4.166 0.516 -5.209 426 HB2 PHE 53 1HB PHE 53 -2.667 -0.429 -2.759 427 HB3 PHE 53 2HB PHE 53 -4.075 -1.242 -3.429 428 HD1 PHE 53 HD2 PHE 53 -3.883 -1.857 -5.977 429 HD2 PHE 53 HD1 PHE 53 -0.575 -1.129 -3.403 430 HE1 PHE 53 HE2 PHE 53 -2.429 -3.143 -7.489 431 HE2 PHE 53 HE1 PHE 53 0.885 -2.413 -4.909 432 HZ PHE 53 HZ PHE 53 -0.041 -3.424 -6.955 433 H ARG 54 H ARG 54 -6.214 0.719 -4.539 434 HA ARG 54 HA ARG 54 -6.837 2.692 -2.572 435 HB2 ARG 54 1HB ARG 54 -9.204 2.097 -3.088 436 HB3 ARG 54 2HB ARG 54 -8.256 2.537 -4.500 437 HG2 ARG 54 1HG ARG 54 -8.665 0.588 -5.470 438 HG3 ARG 54 2HG ARG 54 -8.143 -0.304 -4.039 439 HD2 ARG 54 1HD ARG 54 -10.853 0.967 -4.355 440 HD3 ARG 54 2HD ARG 54 -10.508 -0.726 -4.707 441 HE ARG 54 HE ARG 54 -9.647 -0.501 -2.178 442 HH11 ARG 54 1HH1 ARG 54 -12.648 0.435 -3.731 443 HH12 ARG 54 2HH1 ARG 54 -13.587 0.286 -2.275 444 HH21 ARG 54 1HH2 ARG 54 -10.884 -0.745 -0.282 445 HH22 ARG 54 2HH2 ARG 54 -12.590 -0.379 -0.306 446 H LEU 55 H LEU 55 -7.426 2.450 -0.513 447 HA LEU 55 HA LEU 55 -7.640 -0.297 0.522 448 HB2 LEU 55 1HB LEU 55 -6.355 2.111 1.812 449 HB3 LEU 55 2HB LEU 55 -6.598 0.566 2.605 450 HG LEU 55 HG LEU 55 -4.880 0.991 0.160 451 HD11 LEU 55 1HD1 LEU 55 -4.110 0.601 3.049 452 HD12 LEU 55 2HD1 LEU 55 -3.933 2.088 2.118 453 HD13 LEU 55 3HD1 LEU 55 -2.996 0.659 1.682 454 HD21 LEU 55 3HD2 LEU 55 -5.247 -1.400 1.961 455 HD22 LEU 55 1HD2 LEU 55 -4.097 -1.277 0.628 456 HD23 LEU 55 2HD2 LEU 55 -5.830 -1.249 0.303 457 H GLN 56 H GLN 56 -8.911 -0.576 2.401 458 HA GLN 56 HA GLN 56 -11.198 1.184 2.597 459 HB2 GLN 56 1HB GLN 56 -11.388 -1.303 2.693 460 HB3 GLN 56 2HB GLN 56 -10.469 -1.290 4.188 461 HG2 GLN 56 1HG GLN 56 -12.256 0.042 5.238 462 HG3 GLN 56 2HG GLN 56 -13.186 -0.077 3.745 463 HE21 GLN 56 2HE2 GLN 56 -14.870 -1.184 4.727 464 HE22 GLN 56 1HE2 GLN 56 -14.725 -2.829 5.252 465 H ALA 57 H ALA 57 -11.840 2.172 4.639 466 HA ALA 57 HA ALA 57 -9.842 3.662 5.872 467 HB1 ALA 57 3HB ALA 57 -11.524 4.314 7.500 468 HB2 ALA 57 1HB ALA 57 -12.548 2.966 7.005 469 HB3 ALA 57 2HB ALA 57 -12.212 4.281 5.877 470 H GLN 58 H GLN 58 -11.218 0.570 6.792 471 HA GLN 58 HA GLN 58 -10.040 0.440 9.376 472 HB2 GLN 58 1HB GLN 58 -11.067 -1.770 7.587 473 HB3 GLN 58 2HB GLN 58 -10.664 -1.950 9.290 474 HG2 GLN 58 1HG GLN 58 -12.420 -0.420 9.910 475 HG3 GLN 58 2HG GLN 58 -12.781 -0.102 8.215 476 HE21 GLN 58 2HE2 GLN 58 -14.491 -1.138 10.333 477 HE22 GLN 58 1HE2 GLN 58 -15.088 -2.660 9.765 478 H GLN 59 H GLN 59 -8.838 -0.065 6.215 479 HA GLN 59 HA GLN 59 -6.596 -1.702 7.096 480 HB2 GLN 59 1HB GLN 59 -7.207 -0.521 4.378 481 HB3 GLN 59 2HB GLN 59 -5.909 -1.652 4.735 482 HG2 GLN 59 1HG GLN 59 -7.559 -3.343 5.358 483 HG3 GLN 59 2HG GLN 59 -8.855 -2.208 4.984 484 HE21 GLN 59 2HE2 GLN 59 -6.377 -4.256 3.688 485 HE22 GLN 59 1HE2 GLN 59 -6.912 -4.207 2.048 486 H TYR 60 H TYR 60 -7.225 1.518 5.766 487 HA TYR 60 HA TYR 60 -4.537 2.393 5.803 488 HB2 TYR 60 1HB TYR 60 -6.351 3.439 4.448 489 HB3 TYR 60 2HB TYR 60 -7.045 4.085 5.931 490 HD1 TYR 60 HD1 TYR 60 -4.019 4.181 3.786 491 HD2 TYR 60 HD2 TYR 60 -6.262 6.112 6.842 492 HE1 TYR 60 HE1 TYR 60 -2.570 6.158 3.591 493 HE2 TYR 60 HE2 TYR 60 -4.821 8.094 6.656 494 HH TYR 60 HH TYR 60 -2.506 8.617 5.890 495 H HIS 61 H HIS 61 -6.867 2.004 8.269 496 HA HIS 61 HA HIS 61 -6.033 3.913 10.148 497 HB2 HIS 61 1HB HIS 61 -8.119 2.594 10.329 498 HB3 HIS 61 2HB HIS 61 -7.166 1.149 10.645 499 HD1 HIS 61 HD1 HIS 61 -6.374 0.762 13.015 500 HD2 HIS 61 HD2 HIS 61 -8.125 4.498 12.470 501 HE1 HIS 61 HE1 HIS 61 -6.661 1.720 15.321 502 HE2 HIS 61 HE2 HIS 61 -7.913 3.880 14.978 503 H ALA 62 H ALA 62 -4.547 0.987 9.074 504 HA ALA 62 HA ALA 62 -2.655 1.068 11.327 505 HB1 ALA 62 3HB ALA 62 -2.058 -1.214 10.735 506 HB2 ALA 62 1HB ALA 62 -3.155 -1.159 9.356 507 HB3 ALA 62 2HB ALA 62 -3.796 -1.075 10.996 508 H LEU 63 H LEU 63 -2.948 2.237 8.289 509 HA LEU 63 HA LEU 63 -0.391 1.480 7.204 510 HB2 LEU 63 1HB LEU 63 -2.749 2.941 6.293 511 HB3 LEU 63 2HB LEU 63 -1.247 3.661 5.746 512 HG LEU 63 HG LEU 63 -2.210 2.080 4.110 513 HD11 LEU 63 1HD1 LEU 63 -0.157 0.831 3.675 514 HD12 LEU 63 2HD1 LEU 63 0.416 1.204 5.302 515 HD13 LEU 63 3HD1 LEU 63 0.188 2.501 4.128 516 HD21 LEU 63 3HD2 LEU 63 -3.238 0.507 5.662 517 HD22 LEU 63 1HD2 LEU 63 -1.644 0.007 6.225 518 HD23 LEU 63 2HD2 LEU 63 -2.134 -0.322 4.564 519 H THR 64 H THR 64 1.480 2.554 7.303 520 HA THR 64 HA THR 64 1.477 5.187 8.621 521 HB THR 64 HB THR 64 3.664 3.116 8.880 522 HG1 THR 64 HG1 THR 64 1.250 3.149 10.030 523 HG21 THR 64 3HG2 THR 64 4.391 4.520 10.757 524 HG22 THR 64 1HG2 THR 64 3.070 5.642 10.432 525 HG23 THR 64 2HG2 THR 64 4.363 5.437 9.250 526 H VAL 65 H VAL 65 2.097 6.707 7.216 527 HA VAL 65 HA VAL 65 3.478 6.184 4.807 528 HB VAL 65 HB VAL 65 2.993 8.769 6.292 529 HG11 VAL 65 1HG1 VAL 65 5.019 9.009 4.945 530 HG12 VAL 65 2HG1 VAL 65 3.687 9.934 4.251 531 HG13 VAL 65 3HG1 VAL 65 4.161 8.394 3.532 532 HG21 VAL 65 3HG2 VAL 65 1.771 7.585 3.803 533 HG22 VAL 65 1HG2 VAL 65 1.363 9.151 4.507 534 HG23 VAL 65 2HG2 VAL 65 1.013 7.666 5.395 535 H GLY 66 H GLY 66 5.564 5.991 4.375 536 HA2 GLY 66 1HA GLY 66 7.868 6.428 4.642 537 HA3 GLY 66 2HA GLY 66 7.549 6.995 6.275 538 H ASP 67 H ASP 67 5.789 4.393 6.436 539 HA ASP 67 HA ASP 67 7.872 2.906 7.743 540 HB2 ASP 67 1HB ASP 67 5.549 2.985 8.644 541 HB3 ASP 67 2HB ASP 67 5.015 2.038 7.258 542 H GLN 68 H GLN 68 9.309 2.231 6.249 543 HA GLN 68 HA GLN 68 8.702 0.749 3.928 544 HB2 GLN 68 1HB GLN 68 11.164 0.558 5.682 545 HB3 GLN 68 2HB GLN 68 11.035 0.012 4.015 546 HG2 GLN 68 1HG GLN 68 10.719 2.290 3.262 547 HG3 GLN 68 2HG GLN 68 10.751 2.864 4.928 548 HE21 GLN 68 2HE2 GLN 68 12.460 3.600 2.718 549 HE22 GLN 68 1HE2 GLN 68 14.081 3.226 3.196 550 H GLY 69 H GLY 69 7.899 -1.246 3.734 551 HA2 GLY 69 1HA GLY 69 8.365 -3.288 5.717 552 HA3 GLY 69 2HA GLY 69 6.734 -2.634 5.746 553 H THR 70 H THR 70 6.233 -4.940 5.252 554 HA THR 70 HA THR 70 7.058 -5.843 2.603 555 HB THR 70 HB THR 70 5.534 -7.377 4.714 556 HG1 THR 70 HG1 THR 70 7.949 -6.493 4.923 557 HG21 THR 70 3HG2 THR 70 5.373 -8.327 2.463 558 HG22 THR 70 1HG2 THR 70 6.370 -9.346 3.502 559 HG23 THR 70 2HG2 THR 70 7.131 -8.288 2.313 560 H LEU 71 H LEU 71 5.755 -5.947 0.911 561 HA LEU 71 HA LEU 71 2.871 -5.488 1.309 562 HB2 LEU 71 1HB LEU 71 3.922 -3.618 0.179 563 HB3 LEU 71 2HB LEU 71 4.683 -4.697 -0.974 564 HG LEU 71 HG LEU 71 2.440 -5.291 -1.853 565 HD11 LEU 71 1HD1 LEU 71 1.495 -3.112 0.001 566 HD12 LEU 71 2HD1 LEU 71 1.121 -4.830 0.132 567 HD13 LEU 71 3HD1 LEU 71 0.524 -3.901 -1.243 568 HD21 LEU 71 3HD2 LEU 71 3.092 -2.346 -1.855 569 HD22 LEU 71 1HD2 LEU 71 2.059 -3.174 -3.020 570 HD23 LEU 71 2HD2 LEU 71 3.778 -3.563 -2.931 571 H SER 72 H SER 72 1.592 -7.111 0.730 572 HA SER 72 HA SER 72 2.624 -9.180 -1.111 573 HB2 SER 72 1HB SER 72 0.313 -9.370 0.841 574 HB3 SER 72 2HB SER 72 1.030 -10.690 -0.082 575 HG SER 72 HG SER 72 2.745 -9.217 1.535 576 H TYR 73 H TYR 73 2.004 -8.549 -3.126 577 HA TYR 73 HA TYR 73 -0.888 -8.299 -3.507 578 HB2 TYR 73 1HB TYR 73 -0.674 -6.517 -5.103 579 HB3 TYR 73 2HB TYR 73 0.119 -6.027 -3.615 580 HD1 TYR 73 HD1 TYR 73 2.698 -6.216 -3.540 581 HD2 TYR 73 HD2 TYR 73 0.431 -6.402 -7.133 582 HE1 TYR 73 HE1 TYR 73 4.700 -5.594 -4.832 583 HE2 TYR 73 HE2 TYR 73 2.423 -5.790 -8.433 584 HH TYR 73 HH TYR 73 5.538 -5.862 -7.202 585 H LYS 74 H LYS 74 -1.689 -9.141 -5.412 586 HA LYS 74 HA LYS 74 0.180 -11.002 -6.724 587 HB2 LYS 74 1HB LYS 74 -1.652 -11.981 -5.302 588 HB3 LYS 74 2HB LYS 74 -2.815 -11.281 -6.416 589 HG2 LYS 74 1HG LYS 74 -1.896 -12.644 -8.228 590 HG3 LYS 74 2HG LYS 74 -0.738 -13.353 -7.098 591 HD2 LYS 74 1HD LYS 74 -3.746 -13.527 -6.896 592 HD3 LYS 74 2HD LYS 74 -2.668 -14.821 -7.426 593 HE2 LYS 74 1HE LYS 74 -1.645 -14.937 -5.260 594 HE3 LYS 74 2HE LYS 74 -2.513 -13.502 -4.720 595 HZ1 LYS 74 3HZ LYS 74 -3.505 -15.545 -3.878 596 HZ2 LYS 74 1HZ LYS 74 -3.779 -16.088 -5.460 597 HZ3 LYS 74 2HZ LYS 74 -4.583 -14.709 -4.883 598 H GLY 75 H GLY 75 0.775 -10.016 -8.570 599 HA2 GLY 75 1HA GLY 75 0.567 -9.184 -10.709 600 HA3 GLY 75 2HA GLY 75 -1.152 -9.557 -10.629 601 H THR 76 H THR 76 -2.457 -7.873 -10.709 602 HA THR 76 HA THR 76 -1.452 -5.266 -9.792 603 HB THR 76 HB THR 76 -3.431 -4.391 -11.166 604 HG1 THR 76 HG1 THR 76 -4.210 -5.819 -12.750 605 HG21 THR 76 3HG2 THR 76 -1.160 -5.795 -12.582 606 HG22 THR 76 1HG2 THR 76 -1.118 -4.165 -11.911 607 HG23 THR 76 2HG2 THR 76 -2.172 -4.528 -13.277 608 H ARG 77 H ARG 77 -2.914 -7.671 -8.441 609 HA ARG 77 HA ARG 77 -5.207 -6.186 -7.348 610 HB2 ARG 77 1HB ARG 77 -5.433 -8.484 -8.544 611 HB3 ARG 77 2HB ARG 77 -4.772 -9.147 -7.060 612 HG2 ARG 77 1HG ARG 77 -7.200 -7.392 -7.040 613 HG3 ARG 77 2HG ARG 77 -7.309 -9.121 -7.360 614 HD2 ARG 77 1HD ARG 77 -5.978 -9.381 -5.165 615 HD3 ARG 77 2HD ARG 77 -6.458 -7.711 -4.856 616 HE ARG 77 HE ARG 77 -8.670 -9.377 -5.586 617 HH11 ARG 77 1HH1 ARG 77 -6.680 -8.323 -2.899 618 HH12 ARG 77 2HH1 ARG 77 -7.832 -8.835 -1.696 619 HH21 ARG 77 1HH2 ARG 77 -10.175 -10.014 -4.029 620 HH22 ARG 77 2HH2 ARG 77 -9.837 -9.760 -2.337 621 H PHE 78 H PHE 78 -4.708 -5.220 -5.517 622 HA PHE 78 HA PHE 78 -2.585 -5.890 -3.791 623 HB2 PHE 78 1HB PHE 78 -3.547 -3.655 -3.834 624 HB3 PHE 78 2HB PHE 78 -5.102 -4.278 -3.301 625 HD1 PHE 78 HD2 PHE 78 -1.678 -3.466 -2.285 626 HD2 PHE 78 HD1 PHE 78 -5.499 -4.823 -0.994 627 HE1 PHE 78 HE2 PHE 78 -1.026 -3.072 0.054 628 HE2 PHE 78 HE1 PHE 78 -4.853 -4.431 1.346 629 HZ PHE 78 HZ PHE 78 -2.612 -3.555 1.872 630 H VAL 79 H VAL 79 -2.427 -7.351 -2.178 631 HA VAL 79 HA VAL 79 -4.881 -8.774 -1.403 632 HB VAL 79 HB VAL 79 -2.002 -9.665 -1.136 633 HG11 VAL 79 1HG1 VAL 79 -2.943 -11.828 -0.460 634 HG12 VAL 79 2HG1 VAL 79 -4.562 -11.131 -0.496 635 HG13 VAL 79 3HG1 VAL 79 -3.376 -10.547 0.672 636 HG21 VAL 79 3HG2 VAL 79 -2.769 -9.676 -3.445 637 HG22 VAL 79 1HG2 VAL 79 -4.202 -10.595 -2.981 638 HG23 VAL 79 2HG2 VAL 79 -2.603 -11.326 -2.844 639 H GLY 80 H GLY 80 -1.775 -7.730 0.052 640 HA2 GLY 80 1HA GLY 80 -3.128 -6.395 2.187 641 HA3 GLY 80 2HA GLY 80 -2.473 -7.939 2.706 642 H PHE 81 H PHE 81 -1.821 -5.048 3.307 643 HA PHE 81 HA PHE 81 1.063 -5.215 2.743 644 HB2 PHE 81 1HB PHE 81 0.085 -3.163 1.843 645 HB3 PHE 81 2HB PHE 81 -0.617 -2.784 3.413 646 HD1 PHE 81 HD2 PHE 81 2.624 -3.268 1.667 647 HD2 PHE 81 HD1 PHE 81 0.589 -1.553 4.987 648 HE1 PHE 81 HE2 PHE 81 4.668 -2.049 2.286 649 HE2 PHE 81 HE1 PHE 81 2.632 -0.333 5.613 650 HZ PHE 81 HZ PHE 81 4.675 -0.581 4.262 651 H VAL 82 H VAL 82 2.466 -5.250 4.427 652 HA VAL 82 HA VAL 82 1.274 -5.178 7.120 653 HB VAL 82 HB VAL 82 3.528 -6.977 6.206 654 HG11 VAL 82 1HG1 VAL 82 3.267 -8.038 8.405 655 HG12 VAL 82 2HG1 VAL 82 2.065 -6.822 8.839 656 HG13 VAL 82 3HG1 VAL 82 3.736 -6.343 8.540 657 HG21 VAL 82 3HG2 VAL 82 1.405 -7.692 5.250 658 HG22 VAL 82 1HG2 VAL 82 0.661 -7.664 6.849 659 HG23 VAL 82 2HG2 VAL 82 1.942 -8.822 6.493 660 H SER 83 H SER 83 1.928 -3.183 7.798 661 HA SER 83 HA SER 83 4.455 -2.041 7.507 662 HB2 SER 83 1HB SER 83 2.545 -1.867 9.859 663 HB3 SER 83 2HB SER 83 3.913 -0.788 9.584 664 HG SER 83 HG SER 83 2.906 -0.231 7.568 665 H ARG 84 H ARG 84 6.402 -2.486 8.407 666 HA ARG 84 HA ARG 84 6.798 -5.163 9.013 667 HB2 ARG 84 1HB ARG 84 8.465 -3.460 8.083 668 HB3 ARG 84 2HB ARG 84 8.784 -3.041 9.762 669 HG2 ARG 84 1HG ARG 84 9.518 -5.270 10.243 670 HG3 ARG 84 2HG ARG 84 9.041 -5.818 8.635 671 HD2 ARG 84 1HD ARG 84 10.679 -4.084 7.743 672 HD3 ARG 84 2HD ARG 84 11.288 -3.977 9.395 673 HE ARG 84 HE ARG 84 11.289 -6.656 8.811 674 HH11 ARG 84 1HH1 ARG 84 12.731 -3.791 7.395 675 HH12 ARG 84 2HH1 ARG 84 14.118 -4.641 6.786 676 HH21 ARG 84 1HH2 ARG 84 13.082 -7.781 7.974 677 HH22 ARG 84 2HH2 ARG 84 14.312 -6.925 7.101 678 H THR 85 H THR 85 7.356 -2.465 11.238 679 HA THR 85 HA THR 85 7.483 -2.351 13.503 680 HB THR 85 HB THR 85 5.160 -4.268 13.350 681 HG1 THR 85 HG1 THR 85 4.613 -2.575 12.063 682 HG21 THR 85 3HG2 THR 85 4.424 -3.141 15.413 683 HG22 THR 85 1HG2 THR 85 5.901 -2.178 15.405 684 HG23 THR 85 2HG2 THR 85 5.989 -3.925 15.626 685 HA PRO 86 HA PRO 86 9.894 -6.246 14.123 686 HB2 PRO 86 1HB PRO 86 11.707 -4.364 15.480 687 HB3 PRO 86 2HB PRO 86 12.055 -5.524 14.195 688 HG2 PRO 86 1HG PRO 86 12.027 -2.873 13.745 689 HG3 PRO 86 2HG PRO 86 11.494 -4.040 12.521 690 HD2 PRO 86 1HD PRO 86 9.853 -2.329 14.352 691 HD3 PRO 86 2HD PRO 86 9.590 -2.721 12.639 692 H ASP 87 H ASP 87 10.345 -7.325 16.110 693 HA ASP 87 HA ASP 87 8.557 -6.869 18.204 694 HB2 ASP 87 1HB ASP 87 9.847 -9.006 17.690 695 HB3 ASP 87 2HB ASP 87 11.215 -8.271 18.516 696 H ASN 88 H ASN 88 12.020 -6.158 18.011 697 HA ASN 88 HA ASN 88 13.245 -4.387 18.753 698 HB2 ASN 88 1HB ASN 88 11.113 -3.247 17.761 699 HB3 ASN 88 2HB ASN 88 10.712 -2.925 19.442 700 HD21 ASN 88 2HD2 ASN 88 12.002 -1.498 20.624 701 HD22 ASN 88 1HD2 ASN 88 13.060 -0.371 19.842 702 H GLU 89 H GLU 89 12.469 -6.471 20.592 703 HA GLU 89 HA GLU 89 11.769 -5.399 23.121 704 HB2 GLU 89 1HB GLU 89 11.513 -7.786 22.414 705 HB3 GLU 89 2HB GLU 89 13.257 -7.961 22.529 706 HG2 GLU 89 1HG GLU 89 12.185 -8.852 24.495 707 HG3 GLU 89 2HG GLU 89 13.149 -7.435 24.913 708 H LEU 90 H LEU 90 14.774 -5.757 21.419 709 HA LEU 90 HA LEU 90 16.526 -5.611 23.643 710 HB2 LEU 90 1HB LEU 90 17.157 -6.475 21.408 711 HB3 LEU 90 2HB LEU 90 17.043 -4.848 20.768 712 HG LEU 90 HG LEU 90 18.889 -4.145 22.244 713 HD11 LEU 90 1HD1 LEU 90 18.554 -5.740 24.054 714 HD12 LEU 90 2HD1 LEU 90 20.201 -5.835 23.431 715 HD13 LEU 90 3HD1 LEU 90 19.018 -7.064 22.987 716 HD21 LEU 90 3HD2 LEU 90 20.671 -5.345 21.068 717 HD22 LEU 90 1HD2 LEU 90 19.372 -4.871 19.974 718 HD23 LEU 90 2HD2 LEU 90 19.499 -6.543 20.520 719 H GLU 91 H GLU 91 14.974 -3.218 21.628 720 HA GLU 91 HA GLU 91 16.307 -1.050 23.071 721 HB2 GLU 91 1HB GLU 91 16.228 -0.898 20.618 722 HB3 GLU 91 2HB GLU 91 14.477 -1.008 20.655 723 HG2 GLU 91 1HG GLU 91 15.508 1.173 22.279 724 HG3 GLU 91 2HG GLU 91 15.955 1.298 20.577 725 H HIS 92 H HIS 92 15.346 -0.369 24.875 726 HA HIS 92 HA HIS 92 12.840 -1.636 25.543 727 HB2 HIS 92 1HB HIS 92 14.763 -0.019 27.216 728 HB3 HIS 92 2HB HIS 92 13.340 -0.847 27.844 729 HD1 HIS 92 HD1 HIS 92 13.359 -3.561 27.319 730 HD2 HIS 92 HD2 HIS 92 17.002 -1.550 27.229 731 HE1 HIS 92 HE1 HIS 92 15.124 -5.339 27.536 732 HE2 HIS 92 HE2 HIS 92 17.314 -4.119 27.249 733 H HIS 93 H HIS 93 12.643 0.626 23.693 734 HA HIS 93 HA HIS 93 10.588 2.029 25.291 735 HB2 HIS 93 1HB HIS 93 11.955 3.029 22.778 736 HB3 HIS 93 2HB HIS 93 10.670 3.859 23.642 737 HD1 HIS 93 HD1 HIS 93 11.323 5.300 25.598 738 HD2 HIS 93 HD2 HIS 93 14.477 3.021 24.128 739 HE1 HIS 93 HE1 HIS 93 13.394 6.221 26.690 740 HE2 HIS 93 HE2 HIS 93 15.269 4.736 25.901 741 H HIS 94 H HIS 94 11.322 -0.165 22.904 742 HA HIS 94 HA HIS 94 10.115 -1.437 21.476 743 HB2 HIS 94 1HB HIS 94 8.206 -1.096 23.145 744 HB3 HIS 94 2HB HIS 94 7.633 0.170 22.064 745 HD1 HIS 94 HD1 HIS 94 6.141 -0.565 20.199 746 HD2 HIS 94 HD2 HIS 94 8.328 -3.717 21.820 747 HE1 HIS 94 HE1 HIS 94 5.271 -2.644 19.086 748 HE2 HIS 94 HE2 HIS 94 6.470 -4.547 20.220 749 H HIS 95 H HIS 95 10.012 1.988 21.392 750 HA HIS 95 HA HIS 95 10.754 1.952 18.628 751 HB2 HIS 95 1HB HIS 95 8.057 2.844 19.419 752 HB3 HIS 95 2HB HIS 95 8.948 3.989 18.419 753 HD1 HIS 95 HD1 HIS 95 10.411 1.482 16.877 754 HD2 HIS 95 HD2 HIS 95 6.339 2.274 17.243 755 HE1 HIS 95 HE1 HIS 95 9.314 0.330 14.925 756 HE2 HIS 95 HE2 HIS 95 6.845 0.756 15.201 757 H HIS 96 H HIS 96 11.737 3.958 17.986 758 HA HIS 96 HA HIS 96 13.257 4.996 20.152 759 HB2 HIS 96 1HB HIS 96 13.165 5.850 17.252 760 HB3 HIS 96 2HB HIS 96 14.346 6.418 18.427 761 HD1 HIS 96 HD1 HIS 96 16.366 4.959 18.838 762 HD2 HIS 96 HD2 HIS 96 13.428 3.072 16.579 763 HE1 HIS 96 HE1 HIS 96 17.398 2.809 18.040 764 HE2 HIS 96 HE2 HIS 96 15.527 1.592 16.863 765 H HIS 97 H HIS 97 12.806 6.604 21.440 766 HA HIS 97 HA HIS 97 10.718 8.525 20.750 767 HB2 HIS 97 1HB HIS 97 10.609 7.490 22.973 768 HB3 HIS 97 2HB HIS 97 12.236 8.051 23.334 769 HD1 HIS 97 HD1 HIS 97 12.527 10.606 23.812 770 HD2 HIS 97 HD2 HIS 97 8.587 9.355 23.362 771 HE1 HIS 97 HE1 HIS 97 11.115 12.479 24.720 772 HE2 HIS 97 HE2 HIS 97 8.750 11.622 24.608 Start of MODEL 10 1 H1 MET 1 1H MET 1 13.295 -17.362 -6.156 2 H2 MET 1 2H MET 1 13.497 -16.888 -4.543 3 H3 MET 1 3H MET 1 14.067 -15.896 -5.792 4 HA MET 1 HA MET 1 12.013 -15.063 -4.812 5 HB2 MET 1 1HB MET 1 11.980 -15.989 -7.682 6 HB3 MET 1 2HB MET 1 10.699 -14.990 -7.011 7 HG2 MET 1 1HG MET 1 13.614 -14.253 -7.119 8 HG3 MET 1 2HG MET 1 12.366 -13.679 -8.223 9 HE1 MET 1 3HE MET 1 9.915 -13.344 -6.158 10 HE2 MET 1 1HE MET 1 10.287 -12.180 -7.428 11 HE3 MET 1 2HE MET 1 10.063 -11.632 -5.767 12 H ALA 2 H ALA 2 9.514 -15.444 -5.685 13 HA ALA 2 HA ALA 2 8.710 -18.201 -5.265 14 HB1 ALA 2 3HB ALA 2 7.846 -15.985 -3.398 15 HB2 ALA 2 1HB ALA 2 8.904 -17.332 -2.982 16 HB3 ALA 2 2HB ALA 2 7.218 -17.633 -3.399 17 HA PRO 3 HA PRO 3 5.277 -17.086 -7.927 18 HB2 PRO 3 1HB PRO 3 3.450 -18.135 -5.823 19 HB3 PRO 3 2HB PRO 3 3.545 -18.549 -7.538 20 HG2 PRO 3 1HG PRO 3 4.479 -20.217 -5.686 21 HG3 PRO 3 2HG PRO 3 5.329 -19.998 -7.226 22 HD2 PRO 3 1HD PRO 3 5.996 -18.924 -4.521 23 HD3 PRO 3 2HD PRO 3 7.078 -19.496 -5.807 24 H LEU 4 H LEU 4 4.886 -16.433 -4.473 25 HA LEU 4 HA LEU 4 3.245 -14.102 -4.918 26 HB2 LEU 4 1HB LEU 4 3.046 -15.501 -2.873 27 HB3 LEU 4 2HB LEU 4 4.669 -15.025 -2.420 28 HG LEU 4 HG LEU 4 3.859 -12.648 -2.369 29 HD11 LEU 4 1HD1 LEU 4 1.170 -13.998 -2.551 30 HD12 LEU 4 2HD1 LEU 4 1.876 -12.912 -3.747 31 HD13 LEU 4 3HD1 LEU 4 1.445 -12.303 -2.148 32 HD21 LEU 4 3HD2 LEU 4 2.583 -14.627 -0.488 33 HD22 LEU 4 1HD2 LEU 4 2.812 -12.907 -0.175 34 HD23 LEU 4 2HD2 LEU 4 4.211 -13.965 -0.354 35 H GLN 5 H GLN 5 4.015 -12.166 -5.426 36 HA GLN 5 HA GLN 5 6.872 -11.703 -5.363 37 HB2 GLN 5 1HB GLN 5 4.572 -10.033 -6.390 38 HB3 GLN 5 2HB GLN 5 6.263 -9.565 -6.508 39 HG2 GLN 5 1HG GLN 5 5.140 -12.091 -7.687 40 HG3 GLN 5 2HG GLN 5 5.305 -10.576 -8.573 41 HE21 GLN 5 2HE2 GLN 5 6.561 -13.237 -8.933 42 HE22 GLN 5 1HE2 GLN 5 8.266 -12.931 -8.942 43 H GLN 6 H GLN 6 7.758 -11.027 -3.547 44 HA GLN 6 HA GLN 6 6.213 -9.265 -1.778 45 HB2 GLN 6 1HB GLN 6 8.601 -11.024 -1.205 46 HB3 GLN 6 2HB GLN 6 7.881 -9.926 -0.038 47 HG2 GLN 6 1HG GLN 6 5.774 -11.169 -0.181 48 HG3 GLN 6 2HG GLN 6 6.521 -12.280 -1.329 49 HE21 GLN 6 2HE2 GLN 6 5.375 -12.763 1.328 50 HE22 GLN 6 1HE2 GLN 6 6.634 -13.498 2.264 51 H LYS 7 H LYS 7 6.654 -7.198 -2.064 52 HA LYS 7 HA LYS 7 9.463 -6.402 -2.495 53 HB2 LYS 7 1HB LYS 7 6.904 -5.042 -3.349 54 HB3 LYS 7 2HB LYS 7 8.475 -4.259 -3.400 55 HG2 LYS 7 1HG LYS 7 7.739 -6.757 -4.904 56 HG3 LYS 7 2HG LYS 7 7.761 -5.128 -5.579 57 HD2 LYS 7 1HD LYS 7 10.174 -4.981 -4.982 58 HD3 LYS 7 2HD LYS 7 10.104 -6.674 -4.482 59 HE2 LYS 7 1HE LYS 7 9.579 -5.580 -7.244 60 HE3 LYS 7 2HE LYS 7 10.969 -6.537 -6.734 61 HZ1 LYS 7 3HZ LYS 7 9.423 -7.943 -7.875 62 HZ2 LYS 7 1HZ LYS 7 8.142 -7.452 -6.873 63 HZ3 LYS 7 2HZ LYS 7 9.418 -8.372 -6.234 64 H GLN 8 H GLN 8 10.369 -5.045 -1.021 65 HA GLN 8 HA GLN 8 8.688 -4.078 1.150 66 HB2 GLN 8 1HB GLN 8 11.678 -3.879 0.719 67 HB3 GLN 8 2HB GLN 8 10.830 -3.252 2.127 68 HG2 GLN 8 1HG GLN 8 10.016 -5.576 2.564 69 HG3 GLN 8 2HG GLN 8 11.091 -6.124 1.279 70 HE21 GLN 8 2HE2 GLN 8 11.076 -6.754 4.126 71 HE22 GLN 8 1HE2 GLN 8 12.640 -6.319 4.719 72 H VAL 9 H VAL 9 7.545 -2.347 0.668 73 HA VAL 9 HA VAL 9 8.680 -0.408 -1.233 74 HB VAL 9 HB VAL 9 6.312 0.240 -1.694 75 HG11 VAL 9 1HG1 VAL 9 7.014 -2.651 -2.197 76 HG12 VAL 9 2HG1 VAL 9 7.514 -1.274 -3.178 77 HG13 VAL 9 3HG1 VAL 9 5.808 -1.715 -3.081 78 HG21 VAL 9 3HG2 VAL 9 5.690 -2.211 -0.046 79 HG22 VAL 9 1HG2 VAL 9 4.528 -1.305 -1.016 80 HG23 VAL 9 2HG2 VAL 9 5.299 -0.545 0.376 81 H VAL 10 H VAL 10 7.802 1.807 -1.034 82 HA VAL 10 HA VAL 10 7.832 2.664 1.773 83 HB VAL 10 HB VAL 10 8.159 4.338 -0.726 84 HG11 VAL 10 1HG1 VAL 10 9.040 6.039 0.807 85 HG12 VAL 10 2HG1 VAL 10 8.667 4.987 2.173 86 HG13 VAL 10 3HG1 VAL 10 7.364 5.622 1.167 87 HG21 VAL 10 3HG2 VAL 10 10.302 3.326 1.133 88 HG22 VAL 10 1HG2 VAL 10 10.534 4.386 -0.260 89 HG23 VAL 10 2HG2 VAL 10 9.990 2.724 -0.497 90 H VAL 11 H VAL 11 5.851 3.061 2.639 91 HA VAL 11 HA VAL 11 3.595 3.825 1.050 92 HB VAL 11 HB VAL 11 3.957 4.221 4.029 93 HG11 VAL 11 1HG1 VAL 11 1.507 4.160 4.090 94 HG12 VAL 11 2HG1 VAL 11 1.472 4.019 2.331 95 HG13 VAL 11 3HG1 VAL 11 2.102 5.483 3.087 96 HG21 VAL 11 3HG2 VAL 11 2.827 1.844 2.552 97 HG22 VAL 11 1HG2 VAL 11 2.803 2.072 4.301 98 HG23 VAL 11 2HG2 VAL 11 4.340 1.886 3.458 99 H SER 12 H SER 12 3.995 5.633 -0.140 100 HA SER 12 HA SER 12 5.726 7.681 0.809 101 HB2 SER 12 1HB SER 12 5.010 8.827 -1.355 102 HB3 SER 12 2HB SER 12 5.786 7.252 -1.516 103 HG SER 12 HG SER 12 3.853 7.524 -2.802 104 H ASN 13 H ASN 13 2.228 7.534 0.248 105 HA ASN 13 HA ASN 13 1.590 9.296 2.341 106 HB2 ASN 13 1HB ASN 13 2.666 10.966 0.837 107 HB3 ASN 13 2HB ASN 13 1.495 10.565 -0.412 108 HD21 ASN 13 2HD2 ASN 13 0.623 12.572 -0.551 109 HD22 ASN 13 1HD2 ASN 13 -0.326 13.293 0.709 110 H LYS 14 H LYS 14 -0.699 9.738 2.446 111 HA LYS 14 HA LYS 14 -2.421 7.870 1.131 112 HB2 LYS 14 1HB LYS 14 -4.233 9.102 2.218 113 HB3 LYS 14 2HB LYS 14 -2.930 8.835 3.368 114 HG2 LYS 14 1HG LYS 14 -2.158 11.118 3.062 115 HG3 LYS 14 2HG LYS 14 -3.409 11.394 1.849 116 HD2 LYS 14 1HD LYS 14 -5.134 11.023 3.540 117 HD3 LYS 14 2HD LYS 14 -3.887 10.726 4.754 118 HE2 LYS 14 1HE LYS 14 -4.382 13.297 3.256 119 HE3 LYS 14 2HE LYS 14 -4.702 12.992 4.963 120 HZ1 LYS 14 3HZ LYS 14 -2.060 13.134 3.627 121 HZ2 LYS 14 1HZ LYS 14 -2.269 12.576 5.210 122 HZ3 LYS 14 2HZ LYS 14 -2.670 14.176 4.813 123 H ARG 15 H ARG 15 -3.910 8.321 -0.550 124 HA ARG 15 HA ARG 15 -3.913 10.934 -1.767 125 HB2 ARG 15 1HB ARG 15 -1.794 9.654 -2.543 126 HB3 ARG 15 2HB ARG 15 -2.911 8.676 -3.485 127 HG2 ARG 15 1HG ARG 15 -3.628 10.587 -4.735 128 HG3 ARG 15 2HG ARG 15 -2.701 11.671 -3.696 129 HD2 ARG 15 1HD ARG 15 -1.591 9.557 -5.539 130 HD3 ARG 15 2HD ARG 15 -1.520 11.302 -5.775 131 HE ARG 15 HE ARG 15 -0.214 11.192 -3.531 132 HH11 ARG 15 1HH1 ARG 15 -0.068 8.871 -6.153 133 HH12 ARG 15 2HH1 ARG 15 1.573 8.415 -5.825 134 HH21 ARG 15 1HH2 ARG 15 1.974 10.597 -3.115 135 HH22 ARG 15 2HH2 ARG 15 2.728 9.369 -4.101 136 H GLU 16 H GLU 16 -5.521 11.135 -3.377 137 HA GLU 16 HA GLU 16 -7.085 8.761 -4.009 138 HB2 GLU 16 1HB GLU 16 -8.223 9.875 -2.080 139 HB3 GLU 16 2HB GLU 16 -8.357 11.339 -3.049 140 HG2 GLU 16 1HG GLU 16 -9.590 9.873 -4.748 141 HG3 GLU 16 2HG GLU 16 -9.720 8.702 -3.439 142 H LYS 17 H LYS 17 -6.873 8.707 -6.157 143 HA LYS 17 HA LYS 17 -7.113 11.208 -7.657 144 HB2 LYS 17 1HB LYS 17 -6.377 8.413 -8.540 145 HB3 LYS 17 2HB LYS 17 -6.627 9.747 -9.658 146 HG2 LYS 17 1HG LYS 17 -4.825 10.988 -8.441 147 HG3 LYS 17 2HG LYS 17 -4.504 9.505 -7.541 148 HD2 LYS 17 1HD LYS 17 -2.967 9.686 -9.403 149 HD3 LYS 17 2HD LYS 17 -4.072 8.336 -9.668 150 HE2 LYS 17 1HE LYS 17 -3.789 9.579 -11.726 151 HE3 LYS 17 2HE LYS 17 -5.437 9.772 -11.133 152 HZ1 LYS 17 3HZ LYS 17 -4.821 11.935 -10.238 153 HZ2 LYS 17 1HZ LYS 17 -4.530 11.869 -11.906 154 HZ3 LYS 17 2HZ LYS 17 -3.237 11.748 -10.817 155 HA PRO 18 HA PRO 18 -11.376 9.909 -7.354 156 HB2 PRO 18 1HB PRO 18 -12.016 12.615 -8.240 157 HB3 PRO 18 2HB PRO 18 -12.352 11.837 -6.691 158 HG2 PRO 18 1HG PRO 18 -10.542 13.826 -6.949 159 HG3 PRO 18 2HG PRO 18 -10.358 12.516 -5.767 160 HD2 PRO 18 1HD PRO 18 -9.062 12.843 -8.450 161 HD3 PRO 18 2HD PRO 18 -8.348 12.309 -6.911 162 H VAL 19 H VAL 19 -11.655 8.551 -9.054 163 HA VAL 19 HA VAL 19 -11.923 9.408 -11.748 164 HB VAL 19 HB VAL 19 -13.188 6.997 -10.416 165 HG11 VAL 19 1HG1 VAL 19 -13.221 6.044 -12.674 166 HG12 VAL 19 2HG1 VAL 19 -12.586 7.558 -13.317 167 HG13 VAL 19 3HG1 VAL 19 -14.183 7.519 -12.573 168 HG21 VAL 19 3HG2 VAL 19 -11.249 5.738 -11.237 169 HG22 VAL 19 1HG2 VAL 19 -10.777 6.987 -10.084 170 HG23 VAL 19 2HG2 VAL 19 -10.524 7.240 -11.811 171 H ASN 20 H ASN 20 -13.558 10.508 -12.636 172 HA ASN 20 HA ASN 20 -15.608 11.610 -11.081 173 HB2 ASN 20 1HB ASN 20 -14.793 12.666 -13.135 174 HB3 ASN 20 2HB ASN 20 -15.445 11.342 -14.092 175 HD21 ASN 20 2HD2 ASN 20 -17.595 11.286 -14.566 176 HD22 ASN 20 1HD2 ASN 20 -18.686 12.577 -14.189 177 H ASP 21 H ASP 21 -15.476 8.684 -12.970 178 HA ASP 21 HA ASP 21 -18.308 8.187 -12.744 179 HB2 ASP 21 1HB ASP 21 -17.087 7.359 -14.701 180 HB3 ASP 21 2HB ASP 21 -16.067 6.370 -13.661 181 H ARG 22 H ARG 22 -18.443 8.401 -10.447 182 HA ARG 22 HA ARG 22 -17.961 5.807 -9.143 183 HB2 ARG 22 1HB ARG 22 -17.583 8.560 -7.965 184 HB3 ARG 22 2HB ARG 22 -17.843 7.146 -6.958 185 HG2 ARG 22 1HG ARG 22 -15.806 6.129 -7.890 186 HG3 ARG 22 2HG ARG 22 -15.541 7.587 -8.853 187 HD2 ARG 22 1HD ARG 22 -15.365 8.924 -6.842 188 HD3 ARG 22 2HD ARG 22 -15.741 7.524 -5.843 189 HE ARG 22 HE ARG 22 -13.472 6.896 -7.328 190 HH11 ARG 22 1HH1 ARG 22 -14.425 9.237 -4.921 191 HH12 ARG 22 2HH1 ARG 22 -12.856 9.328 -4.168 192 HH21 ARG 22 1HH2 ARG 22 -11.358 7.020 -6.357 193 HH22 ARG 22 2HH2 ARG 22 -11.128 8.073 -4.995 194 H ARG 23 H ARG 23 -20.091 5.226 -9.745 195 HA ARG 23 HA ARG 23 -22.246 6.924 -8.741 196 HB2 ARG 23 1HB ARG 23 -22.265 4.583 -10.646 197 HB3 ARG 23 2HB ARG 23 -23.719 5.395 -10.084 198 HG2 ARG 23 1HG ARG 23 -22.931 7.491 -11.063 199 HG3 ARG 23 2HG ARG 23 -21.476 6.673 -11.636 200 HD2 ARG 23 1HD ARG 23 -22.812 5.219 -13.039 201 HD3 ARG 23 2HD ARG 23 -24.294 5.937 -12.412 202 HE ARG 23 HE ARG 23 -22.947 8.060 -13.422 203 HH11 ARG 23 1HH1 ARG 23 -23.837 4.951 -14.740 204 HH12 ARG 23 2HH1 ARG 23 -24.039 5.544 -16.363 205 HH21 ARG 23 1HH2 ARG 23 -23.170 8.855 -15.554 206 HH22 ARG 23 2HH2 ARG 23 -23.648 7.768 -16.823 207 H SER 24 H SER 24 -23.207 6.508 -6.914 208 HA SER 24 HA SER 24 -22.699 4.007 -5.531 209 HB2 SER 24 1HB SER 24 -22.450 6.132 -4.320 210 HB3 SER 24 2HB SER 24 -24.134 6.527 -4.651 211 HG SER 24 HG SER 24 -24.424 5.598 -2.790 212 H ARG 25 H ARG 25 -23.966 2.398 -6.290 213 HA ARG 25 HA ARG 25 -26.759 2.865 -6.907 214 HB2 ARG 25 1HB ARG 25 -24.933 0.491 -7.117 215 HB3 ARG 25 2HB ARG 25 -26.673 0.299 -7.268 216 HG2 ARG 25 1HG ARG 25 -26.688 1.849 -9.151 217 HG3 ARG 25 2HG ARG 25 -24.943 2.060 -8.992 218 HD2 ARG 25 1HD ARG 25 -24.518 -0.179 -9.605 219 HD3 ARG 25 2HD ARG 25 -26.209 -0.633 -9.405 220 HE ARG 25 HE ARG 25 -26.375 1.189 -11.360 221 HH11 ARG 25 1HH1 ARG 25 -24.157 -1.489 -10.930 222 HH12 ARG 25 2HH1 ARG 25 -24.046 -1.843 -12.629 223 HH21 ARG 25 1HH2 ARG 25 -26.254 0.725 -13.599 224 HH22 ARG 25 2HH2 ARG 25 -25.273 -0.605 -14.148 225 H GLN 26 H GLN 26 -28.427 2.476 -5.612 226 HA GLN 26 HA GLN 26 -29.669 1.916 -3.803 227 HB2 GLN 26 1HB GLN 26 -27.693 -0.362 -3.582 228 HB3 GLN 26 2HB GLN 26 -29.236 -0.270 -2.742 229 HG2 GLN 26 1HG GLN 26 -30.404 -0.259 -4.887 230 HG3 GLN 26 2HG GLN 26 -28.860 -0.353 -5.728 231 HE21 GLN 26 2HE2 GLN 26 -31.117 -2.168 -5.801 232 HE22 GLN 26 1HE2 GLN 26 -30.525 -3.713 -5.295 233 H GLN 27 H GLN 27 -27.129 3.529 -3.560 234 HA GLN 27 HA GLN 27 -26.028 4.725 -2.011 235 HB2 GLN 27 1HB GLN 27 -28.248 3.692 -0.262 236 HB3 GLN 27 2HB GLN 27 -27.003 4.780 0.338 237 HG2 GLN 27 1HG GLN 27 -27.639 6.408 -1.404 238 HG3 GLN 27 2HG GLN 27 -28.943 5.329 -1.895 239 HE21 GLN 27 2HE2 GLN 27 -28.969 8.072 -0.807 240 HE22 GLN 27 1HE2 GLN 27 -30.004 8.002 0.582 241 H GLU 28 H GLU 28 -24.093 3.725 -2.056 242 HA GLU 28 HA GLU 28 -23.488 1.432 -0.458 243 HB2 GLU 28 1HB GLU 28 -21.866 3.398 -2.038 244 HB3 GLU 28 2HB GLU 28 -21.070 2.266 -0.954 245 HG2 GLU 28 1HG GLU 28 -22.917 1.490 -3.198 246 HG3 GLU 28 2HG GLU 28 -21.154 1.481 -3.283 247 H VAL 29 H VAL 29 -23.074 1.359 1.623 248 HA VAL 29 HA VAL 29 -23.252 3.515 3.372 249 HB VAL 29 HB VAL 29 -21.747 0.937 3.862 250 HG11 VAL 29 1HG1 VAL 29 -23.032 2.869 5.790 251 HG12 VAL 29 2HG1 VAL 29 -21.302 2.623 5.558 252 HG13 VAL 29 3HG1 VAL 29 -22.296 1.326 6.221 253 HG21 VAL 29 3HG2 VAL 29 -24.002 0.484 3.063 254 HG22 VAL 29 1HG2 VAL 29 -24.666 1.567 4.286 255 HG23 VAL 29 2HG2 VAL 29 -23.853 0.080 4.774 256 H SER 30 H SER 30 -20.472 2.037 1.831 257 HA SER 30 HA SER 30 -18.391 2.787 1.379 258 HB2 SER 30 1HB SER 30 -19.315 5.494 2.364 259 HB3 SER 30 2HB SER 30 -17.962 5.158 1.283 260 HG SER 30 HG SER 30 -20.718 4.679 0.746 261 HA PRO 31 HA PRO 31 -17.123 2.246 5.752 262 HB2 PRO 31 1HB PRO 31 -15.277 0.282 4.627 263 HB3 PRO 31 2HB PRO 31 -16.563 0.051 5.813 264 HG2 PRO 31 1HG PRO 31 -16.719 -0.935 3.303 265 HG3 PRO 31 2HG PRO 31 -18.149 -0.396 4.202 266 HD2 PRO 31 1HD PRO 31 -16.588 1.044 2.084 267 HD3 PRO 31 2HD PRO 31 -18.350 0.907 2.283 268 H ALA 32 H ALA 32 -16.035 4.075 3.549 269 HA ALA 32 HA ALA 32 -13.225 4.170 4.410 270 HB1 ALA 32 3HB ALA 32 -13.582 4.125 1.985 271 HB2 ALA 32 1HB ALA 32 -12.856 5.648 2.499 272 HB3 ALA 32 2HB ALA 32 -14.573 5.580 2.104 273 H GLY 33 H GLY 33 -16.055 5.246 5.426 274 HA2 GLY 33 1HA GLY 33 -16.071 6.815 7.275 275 HA3 GLY 33 2HA GLY 33 -14.933 7.804 6.368 276 H THR 34 H THR 34 -16.073 7.876 3.897 277 HA THR 34 HA THR 34 -18.835 8.479 3.922 278 HB THR 34 HB THR 34 -17.998 10.414 5.248 279 HG1 THR 34 HG1 THR 34 -19.858 10.795 4.106 280 HG21 THR 34 3HG2 THR 34 -15.788 10.640 4.183 281 HG22 THR 34 1HG2 THR 34 -16.681 12.162 4.200 282 HG23 THR 34 2HG2 THR 34 -16.572 11.220 2.715 283 H SER 35 H SER 35 -18.615 10.544 1.841 284 HA SER 35 HA SER 35 -18.543 8.910 -0.409 285 HB2 SER 35 1HB SER 35 -18.060 11.891 -0.424 286 HB3 SER 35 2HB SER 35 -18.797 10.912 -1.693 287 HG SER 35 HG SER 35 -20.638 11.207 -0.740 288 H MET 36 H MET 36 -15.935 10.644 1.140 289 HA MET 36 HA MET 36 -14.154 10.500 -1.107 290 HB2 MET 36 1HB MET 36 -13.600 11.107 1.804 291 HB3 MET 36 2HB MET 36 -12.436 11.278 0.498 292 HG2 MET 36 1HG MET 36 -13.852 12.974 -0.542 293 HG3 MET 36 2HG MET 36 -15.016 12.804 0.771 294 HE1 MET 36 3HE MET 36 -14.420 13.365 3.330 295 HE2 MET 36 1HE MET 36 -12.874 14.039 3.843 296 HE3 MET 36 2HE MET 36 -12.959 12.382 3.244 297 H ARG 37 H ARG 37 -12.506 9.084 -1.477 298 HA ARG 37 HA ARG 37 -12.471 6.659 0.199 299 HB2 ARG 37 1HB ARG 37 -12.026 7.163 -2.701 300 HB3 ARG 37 2HB ARG 37 -11.061 5.903 -1.950 301 HG2 ARG 37 1HG ARG 37 -12.989 4.912 -2.943 302 HG3 ARG 37 2HG ARG 37 -13.148 4.816 -1.191 303 HD2 ARG 37 1HD ARG 37 -14.690 6.678 -1.190 304 HD3 ARG 37 2HD ARG 37 -14.456 6.910 -2.925 305 HE ARG 37 HE ARG 37 -15.294 4.325 -2.720 306 HH11 ARG 37 1HH1 ARG 37 -16.613 7.406 -1.670 307 HH12 ARG 37 2HH1 ARG 37 -18.263 6.851 -1.744 308 HH21 ARG 37 1HH2 ARG 37 -17.447 3.621 -2.808 309 HH22 ARG 37 2HH2 ARG 37 -18.731 4.707 -2.381 310 H TYR 38 H TYR 38 -10.551 5.941 1.080 311 HA TYR 38 HA TYR 38 -8.302 7.818 0.850 312 HB2 TYR 38 1HB TYR 38 -8.994 5.873 3.060 313 HB3 TYR 38 2HB TYR 38 -7.520 6.835 3.008 314 HD1 TYR 38 HD2 TYR 38 -9.057 9.302 1.773 315 HD2 TYR 38 HD1 TYR 38 -9.666 6.830 5.186 316 HE1 TYR 38 HE2 TYR 38 -10.224 11.151 2.901 317 HE2 TYR 38 HE1 TYR 38 -10.837 8.670 6.317 318 HH TYR 38 HH TYR 38 -10.910 11.156 6.211 319 H GLU 39 H GLU 39 -7.002 7.098 -0.708 320 HA GLU 39 HA GLU 39 -6.364 4.241 -0.776 321 HB2 GLU 39 1HB GLU 39 -5.781 6.354 -2.865 322 HB3 GLU 39 2HB GLU 39 -5.567 4.617 -3.043 323 HG2 GLU 39 1HG GLU 39 -8.009 4.332 -2.777 324 HG3 GLU 39 2HG GLU 39 -8.176 6.085 -2.726 325 H ALA 40 H ALA 40 -4.146 3.618 -0.961 326 HA ALA 40 HA ALA 40 -2.296 5.605 0.173 327 HB1 ALA 40 3HB ALA 40 -2.308 2.628 0.663 328 HB2 ALA 40 1HB ALA 40 -2.867 3.858 1.795 329 HB3 ALA 40 2HB ALA 40 -1.165 3.789 1.339 330 H SER 41 H SER 41 -0.371 5.865 -0.793 331 HA SER 41 HA SER 41 -0.021 4.463 -3.330 332 HB2 SER 41 1HB SER 41 -0.076 6.992 -3.191 333 HB3 SER 41 2HB SER 41 1.465 6.900 -2.339 334 HG SER 41 HG SER 41 2.364 6.773 -4.214 335 H PHE 42 H PHE 42 1.409 2.883 -3.496 336 HA PHE 42 HA PHE 42 3.523 2.657 -1.473 337 HB2 PHE 42 1HB PHE 42 2.437 0.593 -3.400 338 HB3 PHE 42 2HB PHE 42 3.706 0.306 -2.213 339 HD1 PHE 42 HD1 PHE 42 3.173 0.343 0.199 340 HD2 PHE 42 HD2 PHE 42 0.146 0.630 -2.777 341 HE1 PHE 42 HE1 PHE 42 1.472 -0.235 1.879 342 HE2 PHE 42 HE2 PHE 42 -1.563 0.051 -1.103 343 HZ PHE 42 HZ PHE 42 -0.900 -0.381 1.230 344 H LYS 43 H LYS 43 5.536 3.078 -1.992 345 HA LYS 43 HA LYS 43 6.170 3.702 -4.773 346 HB2 LYS 43 1HB LYS 43 6.653 5.375 -3.034 347 HB3 LYS 43 2HB LYS 43 7.704 4.227 -2.219 348 HG2 LYS 43 1HG LYS 43 9.082 5.737 -3.421 349 HG3 LYS 43 2HG LYS 43 9.125 4.193 -4.276 350 HD2 LYS 43 1HD LYS 43 7.487 5.023 -5.876 351 HD3 LYS 43 2HD LYS 43 7.398 6.554 -5.006 352 HE2 LYS 43 1HE LYS 43 8.822 6.895 -6.874 353 HE3 LYS 43 2HE LYS 43 9.846 6.835 -5.439 354 HZ1 LYS 43 3HZ LYS 43 10.548 5.547 -7.522 355 HZ2 LYS 43 1HZ LYS 43 9.389 4.409 -7.051 356 HZ3 LYS 43 2HZ LYS 43 10.683 4.774 -6.018 357 HA PRO 44 HA PRO 44 8.529 -0.146 -4.921 358 HB2 PRO 44 1HB PRO 44 8.962 -0.083 -7.588 359 HB3 PRO 44 2HB PRO 44 7.427 -0.614 -6.894 360 HG2 PRO 44 1HG PRO 44 8.149 2.020 -8.104 361 HG3 PRO 44 2HG PRO 44 6.654 1.083 -8.268 362 HD2 PRO 44 1HD PRO 44 6.926 3.228 -6.589 363 HD3 PRO 44 2HD PRO 44 5.786 1.898 -6.312 364 H LEU 45 H LEU 45 10.700 -0.439 -4.821 365 HA LEU 45 HA LEU 45 12.362 1.945 -5.062 366 HB2 LEU 45 1HB LEU 45 13.024 -0.789 -3.963 367 HB3 LEU 45 2HB LEU 45 14.020 0.646 -3.826 368 HG LEU 45 HG LEU 45 11.275 0.380 -2.602 369 HD11 LEU 45 1HD1 LEU 45 13.999 0.033 -1.357 370 HD12 LEU 45 2HD1 LEU 45 12.784 -1.225 -1.596 371 HD13 LEU 45 3HD1 LEU 45 12.471 0.103 -0.476 372 HD21 LEU 45 3HD2 LEU 45 13.476 2.406 -2.207 373 HD22 LEU 45 1HD2 LEU 45 11.952 2.353 -1.321 374 HD23 LEU 45 2HD2 LEU 45 11.954 2.678 -3.055 375 H ASN 46 H ASN 46 11.554 -0.710 -6.924 376 HA ASN 46 HA ASN 46 14.225 -1.134 -8.007 377 HB2 ASN 46 1HB ASN 46 11.701 -2.610 -8.756 378 HB3 ASN 46 2HB ASN 46 13.366 -3.136 -8.984 379 HD21 ASN 46 2HD2 ASN 46 14.591 -3.735 -7.133 380 HD22 ASN 46 1HD2 ASN 46 13.790 -4.291 -5.695 381 H GLY 47 H GLY 47 12.635 1.289 -8.546 382 HA2 GLY 47 1HA GLY 47 12.524 2.700 -10.387 383 HA3 GLY 47 2HA GLY 47 13.003 1.350 -11.407 384 H GLY 48 H GLY 48 10.544 3.435 -10.763 385 HA2 GLY 48 1HA GLY 48 8.726 2.710 -12.541 386 HA3 GLY 48 2HA GLY 48 8.392 1.529 -11.283 387 H LEU 49 H LEU 49 6.373 3.115 -11.965 388 HA LEU 49 HA LEU 49 6.301 5.470 -10.283 389 HB2 LEU 49 1HB LEU 49 4.155 4.193 -11.981 390 HB3 LEU 49 2HB LEU 49 4.004 5.728 -11.151 391 HG LEU 49 HG LEU 49 5.924 5.117 -13.401 392 HD11 LEU 49 1HD1 LEU 49 3.447 6.831 -13.305 393 HD12 LEU 49 2HD1 LEU 49 3.614 5.287 -14.141 394 HD13 LEU 49 3HD1 LEU 49 4.548 6.685 -14.675 395 HD21 LEU 49 3HD2 LEU 49 6.874 6.713 -11.816 396 HD22 LEU 49 1HD2 LEU 49 5.413 7.695 -11.918 397 HD23 LEU 49 2HD2 LEU 49 6.448 7.504 -13.334 398 H GLU 50 H GLU 50 4.541 5.790 -8.746 399 HA GLU 50 HA GLU 50 4.511 3.748 -6.794 400 HB2 GLU 50 1HB GLU 50 2.793 6.216 -7.061 401 HB3 GLU 50 2HB GLU 50 2.921 5.228 -5.616 402 HG2 GLU 50 1HG GLU 50 5.109 5.905 -5.200 403 HG3 GLU 50 2HG GLU 50 5.329 6.504 -6.847 404 H LYS 51 H LYS 51 2.972 2.305 -6.184 405 HA LYS 51 HA LYS 51 0.637 2.019 -7.937 406 HB2 LYS 51 1HB LYS 51 2.041 0.114 -6.080 407 HB3 LYS 51 2HB LYS 51 0.402 -0.200 -6.631 408 HG2 LYS 51 1HG LYS 51 1.213 -0.089 -8.966 409 HG3 LYS 51 2HG LYS 51 2.857 0.092 -8.350 410 HD2 LYS 51 1HD LYS 51 2.790 -2.069 -7.332 411 HD3 LYS 51 2HD LYS 51 1.064 -2.231 -7.661 412 HE2 LYS 51 1HE LYS 51 2.332 -3.556 -9.236 413 HE3 LYS 51 2HE LYS 51 1.545 -2.220 -10.073 414 HZ1 LYS 51 3HZ LYS 51 3.658 -1.011 -10.013 415 HZ2 LYS 51 1HZ LYS 51 3.802 -2.485 -10.839 416 HZ3 LYS 51 2HZ LYS 51 4.402 -2.337 -9.260 417 H THR 52 H THR 52 -1.005 3.199 -7.228 418 HA THR 52 HA THR 52 -1.419 3.563 -4.364 419 HB THR 52 HB THR 52 -3.002 4.769 -6.642 420 HG1 THR 52 HG1 THR 52 -0.533 5.501 -5.470 421 HG21 THR 52 3HG2 THR 52 -4.073 4.891 -4.441 422 HG22 THR 52 1HG2 THR 52 -3.562 6.489 -4.986 423 HG23 THR 52 2HG2 THR 52 -2.619 5.628 -3.769 424 H PHE 53 H PHE 53 -2.764 2.270 -3.275 425 HA PHE 53 HA PHE 53 -4.837 0.827 -4.794 426 HB2 PHE 53 1HB PHE 53 -3.277 0.000 -2.347 427 HB3 PHE 53 2HB PHE 53 -4.733 -0.835 -2.873 428 HD1 PHE 53 HD2 PHE 53 -4.762 -1.958 -5.098 429 HD2 PHE 53 HD1 PHE 53 -1.196 -0.393 -3.388 430 HE1 PHE 53 HE2 PHE 53 -3.425 -3.337 -6.636 431 HE2 PHE 53 HE1 PHE 53 0.149 -1.769 -4.923 432 HZ PHE 53 HZ PHE 53 -0.966 -3.245 -6.548 433 H ARG 54 H ARG 54 -6.890 0.867 -4.131 434 HA ARG 54 HA ARG 54 -7.720 2.976 -2.401 435 HB2 ARG 54 1HB ARG 54 -8.989 2.357 -4.404 436 HB3 ARG 54 2HB ARG 54 -9.298 0.764 -3.731 437 HG2 ARG 54 1HG ARG 54 -10.522 1.889 -1.859 438 HG3 ARG 54 2HG ARG 54 -10.356 3.403 -2.754 439 HD2 ARG 54 1HD ARG 54 -12.523 2.363 -3.185 440 HD3 ARG 54 2HD ARG 54 -11.542 2.418 -4.649 441 HE ARG 54 HE ARG 54 -11.449 -0.044 -3.084 442 HH11 ARG 54 1HH1 ARG 54 -12.744 1.650 -5.862 443 HH12 ARG 54 2HH1 ARG 54 -13.219 0.202 -6.696 444 HH21 ARG 54 1HH2 ARG 54 -12.057 -1.949 -4.173 445 HH22 ARG 54 2HH2 ARG 54 -12.810 -1.858 -5.736 446 H LEU 55 H LEU 55 -8.151 2.903 -0.282 447 HA LEU 55 HA LEU 55 -8.457 0.259 0.979 448 HB2 LEU 55 1HB LEU 55 -6.991 2.691 2.001 449 HB3 LEU 55 2HB LEU 55 -7.326 1.265 2.968 450 HG LEU 55 HG LEU 55 -5.616 1.323 0.478 451 HD11 LEU 55 1HD1 LEU 55 -4.569 2.484 2.340 452 HD12 LEU 55 2HD1 LEU 55 -3.757 0.951 2.020 453 HD13 LEU 55 3HD1 LEU 55 -4.862 1.094 3.387 454 HD21 LEU 55 3HD2 LEU 55 -6.160 -0.895 2.449 455 HD22 LEU 55 1HD2 LEU 55 -5.012 -0.961 1.111 456 HD23 LEU 55 2HD2 LEU 55 -6.740 -0.821 0.786 457 H GLN 56 H GLN 56 -9.665 0.254 2.980 458 HA GLN 56 HA GLN 56 -11.747 2.295 3.064 459 HB2 GLN 56 1HB GLN 56 -11.462 -0.318 4.566 460 HB3 GLN 56 2HB GLN 56 -12.840 0.769 4.691 461 HG2 GLN 56 1HG GLN 56 -13.324 0.438 2.324 462 HG3 GLN 56 2HG GLN 56 -11.936 -0.639 2.188 463 HE21 GLN 56 2HE2 GLN 56 -14.758 -1.158 1.671 464 HE22 GLN 56 1HE2 GLN 56 -15.199 -2.480 2.705 465 H ALA 57 H ALA 57 -12.465 2.692 5.527 466 HA ALA 57 HA ALA 57 -10.554 4.508 6.456 467 HB1 ALA 57 3HB ALA 57 -12.963 4.725 6.857 468 HB2 ALA 57 1HB ALA 57 -12.029 4.865 8.346 469 HB3 ALA 57 2HB ALA 57 -12.889 3.368 7.982 470 H GLN 58 H GLN 58 -11.529 1.393 7.903 471 HA GLN 58 HA GLN 58 -9.707 1.587 10.056 472 HB2 GLN 58 1HB GLN 58 -11.720 0.165 10.112 473 HB3 GLN 58 2HB GLN 58 -11.003 -0.888 8.900 474 HG2 GLN 58 1HG GLN 58 -10.845 -1.756 11.213 475 HG3 GLN 58 2HG GLN 58 -9.287 -1.578 10.409 476 HE21 GLN 58 2HE2 GLN 58 -8.188 -1.496 12.367 477 HE22 GLN 58 1HE2 GLN 58 -8.244 -0.112 13.409 478 H GLN 59 H GLN 59 -9.426 0.290 6.814 479 HA GLN 59 HA GLN 59 -7.014 -1.144 7.225 480 HB2 GLN 59 1HB GLN 59 -8.044 0.115 4.676 481 HB3 GLN 59 2HB GLN 59 -6.790 -1.111 4.787 482 HG2 GLN 59 1HG GLN 59 -8.459 -2.661 5.753 483 HG3 GLN 59 2HG GLN 59 -9.697 -1.432 5.492 484 HE21 GLN 59 2HE2 GLN 59 -7.608 -3.763 4.013 485 HE22 GLN 59 1HE2 GLN 59 -8.323 -3.699 2.436 486 H TYR 60 H TYR 60 -7.744 2.138 6.122 487 HA TYR 60 HA TYR 60 -5.098 2.951 5.648 488 HB2 TYR 60 1HB TYR 60 -6.920 4.247 4.764 489 HB3 TYR 60 2HB TYR 60 -7.562 4.542 6.377 490 HD1 TYR 60 HD1 TYR 60 -4.581 5.202 4.241 491 HD2 TYR 60 HD2 TYR 60 -6.940 6.454 7.553 492 HE1 TYR 60 HE1 TYR 60 -3.246 7.260 4.407 493 HE2 TYR 60 HE2 TYR 60 -5.613 8.515 7.725 494 HH TYR 60 HH TYR 60 -3.311 9.261 7.107 495 H HIS 61 H HIS 61 -6.945 2.690 8.600 496 HA HIS 61 HA HIS 61 -5.418 4.373 10.248 497 HB2 HIS 61 1HB HIS 61 -7.014 1.894 10.901 498 HB3 HIS 61 2HB HIS 61 -6.231 2.875 12.134 499 HD1 HIS 61 HD1 HIS 61 -9.324 2.492 12.019 500 HD2 HIS 61 HD2 HIS 61 -7.252 5.721 10.405 501 HE1 HIS 61 HE1 HIS 61 -10.989 4.372 11.885 502 HE2 HIS 61 HE2 HIS 61 -9.698 6.343 10.980 503 H ALA 62 H ALA 62 -4.795 1.157 9.064 504 HA ALA 62 HA ALA 62 -2.596 0.722 10.906 505 HB1 ALA 62 3HB ALA 62 -2.330 -1.417 9.767 506 HB2 ALA 62 1HB ALA 62 -3.521 -0.934 8.561 507 HB3 ALA 62 2HB ALA 62 -4.010 -1.161 10.240 508 H LEU 63 H LEU 63 -3.117 1.841 7.660 509 HA LEU 63 HA LEU 63 -0.443 1.444 6.749 510 HB2 LEU 63 1HB LEU 63 -2.888 2.730 5.693 511 HB3 LEU 63 2HB LEU 63 -1.366 3.342 5.075 512 HG LEU 63 HG LEU 63 -2.289 1.624 3.608 513 HD11 LEU 63 1HD1 LEU 63 -0.318 0.185 3.467 514 HD12 LEU 63 2HD1 LEU 63 0.184 0.717 5.071 515 HD13 LEU 63 3HD1 LEU 63 0.127 1.870 3.738 516 HD21 LEU 63 3HD2 LEU 63 -2.443 -0.702 4.338 517 HD22 LEU 63 1HD2 LEU 63 -3.531 0.332 5.264 518 HD23 LEU 63 2HD2 LEU 63 -2.017 -0.220 5.980 519 H THR 64 H THR 64 1.150 2.417 7.755 520 HA THR 64 HA THR 64 0.846 5.186 8.640 521 HB THR 64 HB THR 64 3.109 3.263 9.224 522 HG1 THR 64 HG1 THR 64 1.281 2.390 10.153 523 HG21 THR 64 3HG2 THR 64 3.562 4.784 11.099 524 HG22 THR 64 1HG2 THR 64 2.249 5.832 10.564 525 HG23 THR 64 2HG2 THR 64 3.677 5.620 9.550 526 H VAL 65 H VAL 65 1.567 6.741 7.346 527 HA VAL 65 HA VAL 65 3.035 6.285 4.993 528 HB VAL 65 HB VAL 65 2.469 8.827 6.520 529 HG11 VAL 65 1HG1 VAL 65 3.184 10.052 4.518 530 HG12 VAL 65 2HG1 VAL 65 3.727 8.540 3.791 531 HG13 VAL 65 3HG1 VAL 65 4.520 9.156 5.240 532 HG21 VAL 65 3HG2 VAL 65 1.338 7.666 3.978 533 HG22 VAL 65 1HG2 VAL 65 0.881 9.213 4.692 534 HG23 VAL 65 2HG2 VAL 65 0.537 7.710 5.549 535 H GLY 66 H GLY 66 5.132 6.243 4.536 536 HA2 GLY 66 1HA GLY 66 7.418 6.698 4.795 537 HA3 GLY 66 2HA GLY 66 7.103 7.260 6.433 538 H ASP 67 H ASP 67 5.438 4.670 6.712 539 HA ASP 67 HA ASP 67 7.626 3.195 7.882 540 HB2 ASP 67 1HB ASP 67 5.288 3.506 8.907 541 HB3 ASP 67 2HB ASP 67 4.761 2.268 7.771 542 H GLN 68 H GLN 68 8.821 2.482 6.177 543 HA GLN 68 HA GLN 68 7.840 1.093 3.929 544 HB2 GLN 68 1HB GLN 68 10.562 0.870 5.227 545 HB3 GLN 68 2HB GLN 68 10.154 0.376 3.589 546 HG2 GLN 68 1HG GLN 68 9.648 2.699 3.019 547 HG3 GLN 68 2HG GLN 68 10.069 3.188 4.658 548 HE21 GLN 68 2HE2 GLN 68 12.276 1.244 4.783 549 HE22 GLN 68 1HE2 GLN 68 13.552 1.922 3.829 550 H GLY 69 H GLY 69 7.476 -1.034 3.521 551 HA2 GLY 69 1HA GLY 69 8.206 -3.087 5.406 552 HA3 GLY 69 2HA GLY 69 6.489 -2.713 5.404 553 H THR 70 H THR 70 6.675 -5.129 4.797 554 HA THR 70 HA THR 70 7.451 -5.585 2.026 555 HB THR 70 HB THR 70 6.416 -7.623 4.002 556 HG1 THR 70 HG1 THR 70 8.228 -6.771 4.958 557 HG21 THR 70 3HG2 THR 70 6.459 -8.336 1.654 558 HG22 THR 70 1HG2 THR 70 7.667 -9.202 2.604 559 HG23 THR 70 2HG2 THR 70 8.159 -7.880 1.546 560 H LEU 71 H LEU 71 6.061 -6.146 0.418 561 HA LEU 71 HA LEU 71 3.188 -5.993 1.043 562 HB2 LEU 71 1HB LEU 71 3.984 -4.066 -0.232 563 HB3 LEU 71 2HB LEU 71 4.671 -5.129 -1.444 564 HG LEU 71 HG LEU 71 2.390 -5.904 -2.022 565 HD11 LEU 71 1HD1 LEU 71 0.461 -4.662 -1.187 566 HD12 LEU 71 2HD1 LEU 71 1.512 -3.759 -0.097 567 HD13 LEU 71 3HD1 LEU 71 1.305 -5.497 0.116 568 HD21 LEU 71 3HD2 LEU 71 2.792 -2.917 -2.146 569 HD22 LEU 71 1HD2 LEU 71 1.696 -3.855 -3.161 570 HD23 LEU 71 2HD2 LEU 71 3.439 -4.100 -3.283 571 H SER 72 H SER 72 1.992 -7.660 0.527 572 HA SER 72 HA SER 72 3.177 -9.891 -0.977 573 HB2 SER 72 1HB SER 72 2.355 -10.384 1.285 574 HB3 SER 72 2HB SER 72 0.772 -9.735 0.872 575 HG SER 72 HG SER 72 1.733 -11.744 -0.776 576 H TYR 73 H TYR 73 2.789 -9.457 -3.116 577 HA TYR 73 HA TYR 73 -0.043 -9.270 -3.852 578 HB2 TYR 73 1HB TYR 73 0.426 -7.685 -5.628 579 HB3 TYR 73 2HB TYR 73 0.969 -7.025 -4.093 580 HD1 TYR 73 HD1 TYR 73 3.421 -6.920 -3.600 581 HD2 TYR 73 HD2 TYR 73 1.942 -8.062 -7.423 582 HE1 TYR 73 HE1 TYR 73 5.632 -6.476 -4.583 583 HE2 TYR 73 HE2 TYR 73 4.151 -7.627 -8.415 584 HH TYR 73 HH TYR 73 6.167 -6.258 -7.919 585 H LYS 74 H LYS 74 -0.666 -10.411 -5.612 586 HA LYS 74 HA LYS 74 1.389 -11.768 -7.199 587 HB2 LYS 74 1HB LYS 74 0.558 -13.350 -5.449 588 HB3 LYS 74 2HB LYS 74 -1.068 -13.149 -6.088 589 HG2 LYS 74 1HG LYS 74 -0.292 -14.049 -8.254 590 HG3 LYS 74 2HG LYS 74 1.297 -14.326 -7.536 591 HD2 LYS 74 1HD LYS 74 -1.274 -15.525 -6.512 592 HD3 LYS 74 2HD LYS 74 -0.144 -16.350 -7.587 593 HE2 LYS 74 1HE LYS 74 1.605 -16.189 -5.912 594 HE3 LYS 74 2HE LYS 74 0.530 -15.281 -4.848 595 HZ1 LYS 74 3HZ LYS 74 -0.856 -17.174 -4.587 596 HZ2 LYS 74 1HZ LYS 74 0.738 -17.675 -4.303 597 HZ3 LYS 74 2HZ LYS 74 -0.019 -18.049 -5.775 598 H GLY 75 H GLY 75 1.060 -11.073 -9.200 599 HA2 GLY 75 1HA GLY 75 -0.076 -10.537 -11.149 600 HA3 GLY 75 2HA GLY 75 -1.584 -10.984 -10.354 601 H THR 76 H THR 76 -2.935 -9.362 -9.927 602 HA THR 76 HA THR 76 -1.756 -6.706 -9.438 603 HB THR 76 HB THR 76 -2.776 -6.758 -11.683 604 HG1 THR 76 HG1 THR 76 -3.763 -5.153 -9.607 605 HG21 THR 76 3HG2 THR 76 -5.341 -7.365 -10.203 606 HG22 THR 76 1HG2 THR 76 -4.492 -8.458 -11.296 607 HG23 THR 76 2HG2 THR 76 -5.213 -6.974 -11.919 608 H ARG 77 H ARG 77 -3.539 -9.198 -8.167 609 HA ARG 77 HA ARG 77 -5.391 -7.541 -6.678 610 HB2 ARG 77 1HB ARG 77 -6.181 -9.720 -7.418 611 HB3 ARG 77 2HB ARG 77 -4.875 -10.517 -6.546 612 HG2 ARG 77 1HG ARG 77 -5.780 -9.772 -4.434 613 HG3 ARG 77 2HG ARG 77 -7.041 -8.866 -5.265 614 HD2 ARG 77 1HD ARG 77 -7.989 -10.927 -6.126 615 HD3 ARG 77 2HD ARG 77 -6.685 -11.858 -5.383 616 HE ARG 77 HE ARG 77 -7.565 -10.963 -3.202 617 HH11 ARG 77 1HH1 ARG 77 -9.649 -11.395 -5.993 618 HH12 ARG 77 2HH1 ARG 77 -11.096 -11.507 -5.041 619 HH21 ARG 77 1HH2 ARG 77 -9.471 -11.108 -1.962 620 HH22 ARG 77 2HH2 ARG 77 -11.003 -11.347 -2.751 621 H PHE 78 H PHE 78 -5.111 -6.776 -4.731 622 HA PHE 78 HA PHE 78 -2.670 -7.001 -3.311 623 HB2 PHE 78 1HB PHE 78 -4.134 -5.015 -3.206 624 HB3 PHE 78 2HB PHE 78 -5.378 -5.973 -2.418 625 HD1 PHE 78 HD2 PHE 78 -2.075 -4.424 -2.016 626 HD2 PHE 78 HD1 PHE 78 -5.264 -6.479 -0.087 627 HE1 PHE 78 HE2 PHE 78 -1.134 -3.821 0.176 628 HE2 PHE 78 HE1 PHE 78 -4.330 -5.876 2.108 629 HZ PHE 78 HZ PHE 78 -2.262 -4.548 2.240 630 H VAL 79 H VAL 79 -2.057 -8.809 -2.293 631 HA VAL 79 HA VAL 79 -4.038 -10.675 -1.281 632 HB VAL 79 HB VAL 79 -1.020 -10.862 -1.186 633 HG11 VAL 79 1HG1 VAL 79 -3.140 -12.963 -0.747 634 HG12 VAL 79 2HG1 VAL 79 -2.100 -12.257 0.490 635 HG13 VAL 79 3HG1 VAL 79 -1.399 -13.249 -0.788 636 HG21 VAL 79 3HG2 VAL 79 -1.815 -10.772 -3.482 637 HG22 VAL 79 1HG2 VAL 79 -2.975 -12.057 -3.148 638 HG23 VAL 79 2HG2 VAL 79 -1.245 -12.394 -3.089 639 H GLY 80 H GLY 80 -1.252 -8.875 0.026 640 HA2 GLY 80 1HA GLY 80 -2.651 -8.148 2.393 641 HA3 GLY 80 2HA GLY 80 -1.562 -9.494 2.708 642 H PHE 81 H PHE 81 -1.101 -7.230 4.070 643 HA PHE 81 HA PHE 81 1.390 -6.282 2.846 644 HB2 PHE 81 1HB PHE 81 -0.314 -4.535 2.464 645 HB3 PHE 81 2HB PHE 81 -0.642 -4.482 4.191 646 HD1 PHE 81 HD1 PHE 81 2.147 -4.065 1.761 647 HD2 PHE 81 HD2 PHE 81 0.464 -2.942 5.503 648 HE1 PHE 81 HE1 PHE 81 3.897 -2.357 2.032 649 HE2 PHE 81 HE2 PHE 81 2.211 -1.233 5.781 650 HZ PHE 81 HZ PHE 81 3.931 -0.940 4.044 651 H VAL 82 H VAL 82 3.012 -6.664 4.169 652 HA VAL 82 HA VAL 82 2.504 -6.645 7.071 653 HB VAL 82 HB VAL 82 4.416 -8.510 5.643 654 HG11 VAL 82 1HG1 VAL 82 5.158 -7.904 7.881 655 HG12 VAL 82 2HG1 VAL 82 4.639 -9.589 7.831 656 HG13 VAL 82 3HG1 VAL 82 3.588 -8.364 8.540 657 HG21 VAL 82 3HG2 VAL 82 2.875 -10.307 6.273 658 HG22 VAL 82 1HG2 VAL 82 2.108 -9.145 5.190 659 HG23 VAL 82 2HG2 VAL 82 1.748 -9.113 6.916 660 H SER 83 H SER 83 3.300 -4.605 7.401 661 HA SER 83 HA SER 83 5.809 -3.791 6.244 662 HB2 SER 83 1HB SER 83 3.842 -2.236 6.674 663 HB3 SER 83 2HB SER 83 4.238 -2.347 8.389 664 HG SER 83 HG SER 83 5.469 -0.687 7.868 665 H ARG 84 H ARG 84 7.172 -2.471 8.120 666 HA ARG 84 HA ARG 84 8.335 -4.592 9.661 667 HB2 ARG 84 1HB ARG 84 9.624 -2.688 8.627 668 HB3 ARG 84 2HB ARG 84 8.934 -1.636 9.856 669 HG2 ARG 84 1HG ARG 84 10.023 -2.846 11.603 670 HG3 ARG 84 2HG ARG 84 10.561 -4.089 10.472 671 HD2 ARG 84 1HD ARG 84 11.884 -2.347 9.288 672 HD3 ARG 84 2HD ARG 84 11.435 -1.206 10.555 673 HE ARG 84 HE ARG 84 12.543 -2.855 12.118 674 HH11 ARG 84 1HH1 ARG 84 13.514 -2.478 8.768 675 HH12 ARG 84 2HH1 ARG 84 15.130 -3.052 9.036 676 HH21 ARG 84 1HH2 ARG 84 14.658 -3.638 12.474 677 HH22 ARG 84 2HH2 ARG 84 15.787 -3.706 11.149 678 H THR 85 H THR 85 5.994 -2.126 10.174 679 HA THR 85 HA THR 85 6.001 -2.128 13.011 680 HB THR 85 HB THR 85 3.480 -1.416 12.472 681 HG1 THR 85 HG1 THR 85 4.674 -0.442 10.123 682 HG21 THR 85 3HG2 THR 85 5.897 0.307 11.922 683 HG22 THR 85 1HG2 THR 85 5.161 0.023 13.499 684 HG23 THR 85 2HG2 THR 85 4.269 0.897 12.255 685 HA PRO 86 HA PRO 86 3.822 -5.977 13.682 686 HB2 PRO 86 1HB PRO 86 3.114 -5.008 16.330 687 HB3 PRO 86 2HB PRO 86 4.251 -6.281 15.886 688 HG2 PRO 86 1HG PRO 86 5.024 -3.900 16.950 689 HG3 PRO 86 2HG PRO 86 6.041 -4.853 15.855 690 HD2 PRO 86 1HD PRO 86 4.358 -2.446 15.268 691 HD3 PRO 86 2HD PRO 86 5.981 -2.861 14.672 692 H ASP 87 H ASP 87 1.635 -6.548 14.887 693 HA ASP 87 HA ASP 87 -0.466 -5.461 13.434 694 HB2 ASP 87 1HB ASP 87 -0.522 -6.934 16.072 695 HB3 ASP 87 2HB ASP 87 -1.955 -6.576 15.114 696 H ASN 88 H ASN 88 0.463 -4.848 16.790 697 HA ASN 88 HA ASN 88 0.084 -3.113 18.209 698 HB2 ASN 88 1HB ASN 88 -0.240 -1.658 15.581 699 HB3 ASN 88 2HB ASN 88 -0.287 -0.840 17.139 700 HD21 ASN 88 2HD2 ASN 88 1.584 -0.610 14.890 701 HD22 ASN 88 1HD2 ASN 88 3.147 -0.907 15.556 702 H GLU 89 H GLU 89 -2.069 -4.847 17.392 703 HA GLU 89 HA GLU 89 -4.492 -3.485 16.993 704 HB2 GLU 89 1HB GLU 89 -4.148 -5.888 16.570 705 HB3 GLU 89 2HB GLU 89 -3.970 -6.160 18.296 706 HG2 GLU 89 1HG GLU 89 -6.297 -5.303 18.584 707 HG3 GLU 89 2HG GLU 89 -6.441 -5.300 16.825 708 H LEU 90 H LEU 90 -2.814 -4.547 19.907 709 HA LEU 90 HA LEU 90 -4.843 -3.641 21.716 710 HB2 LEU 90 1HB LEU 90 -1.932 -4.296 22.173 711 HB3 LEU 90 2HB LEU 90 -3.086 -3.964 23.449 712 HG LEU 90 HG LEU 90 -3.279 -6.274 21.515 713 HD11 LEU 90 1HD1 LEU 90 -2.401 -6.197 24.399 714 HD12 LEU 90 2HD1 LEU 90 -1.369 -6.517 23.005 715 HD13 LEU 90 3HD1 LEU 90 -2.648 -7.653 23.436 716 HD21 LEU 90 3HD2 LEU 90 -5.014 -7.083 23.036 717 HD22 LEU 90 1HD2 LEU 90 -5.448 -5.520 22.345 718 HD23 LEU 90 2HD2 LEU 90 -4.855 -5.616 24.002 719 H GLU 91 H GLU 91 -2.287 -2.166 20.022 720 HA GLU 91 HA GLU 91 -1.296 -0.143 20.002 721 HB2 GLU 91 1HB GLU 91 -3.639 0.616 19.694 722 HB3 GLU 91 2HB GLU 91 -3.783 0.807 21.438 723 HG2 GLU 91 1HG GLU 91 -1.849 2.415 21.309 724 HG3 GLU 91 2HG GLU 91 -2.011 2.344 19.556 725 H HIS 92 H HIS 92 0.430 -0.683 21.366 726 HA HIS 92 HA HIS 92 0.288 0.013 24.158 727 HB2 HIS 92 1HB HIS 92 2.553 -0.737 22.322 728 HB3 HIS 92 2HB HIS 92 2.871 -0.090 23.927 729 HD1 HIS 92 HD1 HIS 92 2.082 -1.555 25.969 730 HD2 HIS 92 HD2 HIS 92 1.795 -3.393 22.245 731 HE1 HIS 92 HE1 HIS 92 1.784 -4.004 26.440 732 HE2 HIS 92 HE2 HIS 92 1.871 -5.112 24.182 733 H HIS 93 H HIS 93 -0.336 2.090 24.389 734 HA HIS 93 HA HIS 93 0.427 4.189 22.669 735 HB2 HIS 93 1HB HIS 93 -1.593 4.096 24.244 736 HB3 HIS 93 2HB HIS 93 -0.477 4.566 25.522 737 HD1 HIS 93 HD1 HIS 93 -2.489 5.916 22.764 738 HD2 HIS 93 HD2 HIS 93 0.669 7.194 25.146 739 HE1 HIS 93 HE1 HIS 93 -2.347 8.402 22.423 740 HE2 HIS 93 HE2 HIS 93 -0.305 9.120 23.718 741 H HIS 94 H HIS 94 1.722 2.976 25.704 742 HA HIS 94 HA HIS 94 4.023 4.771 25.324 743 HB2 HIS 94 1HB HIS 94 3.062 4.872 27.582 744 HB3 HIS 94 2HB HIS 94 3.259 3.130 27.756 745 HD1 HIS 94 HD1 HIS 94 5.346 6.273 27.388 746 HD2 HIS 94 HD2 HIS 94 5.722 2.333 28.678 747 HE1 HIS 94 HE1 HIS 94 7.650 6.098 28.382 748 HE2 HIS 94 HE2 HIS 94 7.933 3.657 28.945 749 H HIS 95 H HIS 95 5.275 3.784 23.850 750 HA HIS 95 HA HIS 95 5.733 0.975 23.769 751 HB2 HIS 95 1HB HIS 95 6.847 3.368 22.416 752 HB3 HIS 95 2HB HIS 95 7.885 1.951 22.474 753 HD1 HIS 95 HD1 HIS 95 7.694 0.594 20.450 754 HD2 HIS 95 HD2 HIS 95 4.095 2.467 21.390 755 HE1 HIS 95 HE1 HIS 95 6.078 -0.083 18.641 756 HE2 HIS 95 HE2 HIS 95 3.977 1.226 19.119 757 H HIS 96 H HIS 96 7.122 -0.247 24.893 758 HA HIS 96 HA HIS 96 9.011 0.875 26.738 759 HB2 HIS 96 1HB HIS 96 8.025 -1.414 27.002 760 HB3 HIS 96 2HB HIS 96 8.910 -1.928 25.571 761 HD1 HIS 96 HD1 HIS 96 9.366 -1.076 29.185 762 HD2 HIS 96 HD2 HIS 96 11.639 -2.406 25.965 763 HE1 HIS 96 HE1 HIS 96 11.551 -1.847 30.165 764 HE2 HIS 96 HE2 HIS 96 12.822 -2.832 28.224 765 H HIS 97 H HIS 97 9.045 -0.531 23.537 766 HA HIS 97 HA HIS 97 10.690 1.400 22.434 767 HB2 HIS 97 1HB HIS 97 12.514 0.276 23.727 768 HB3 HIS 97 2HB HIS 97 12.186 -1.206 22.829 769 HD1 HIS 97 HD1 HIS 97 13.619 -1.516 20.843 770 HD2 HIS 97 HD2 HIS 97 13.172 2.500 21.816 771 HE1 HIS 97 HE1 HIS 97 15.006 -0.254 19.165 772 HE2 HIS 97 HE2 HIS 97 14.555 2.181 19.654 Start of MODEL 11 1 H1 MET 1 1H MET 1 6.811 -23.747 -4.428 2 H2 MET 1 2H MET 1 8.341 -23.016 -4.414 3 H3 MET 1 3H MET 1 7.930 -24.096 -5.657 4 HA MET 1 HA MET 1 7.822 -21.853 -6.468 5 HB2 MET 1 1HB MET 1 5.084 -23.071 -6.036 6 HB3 MET 1 2HB MET 1 5.447 -21.806 -7.199 7 HG2 MET 1 1HG MET 1 6.957 -23.328 -8.377 8 HG3 MET 1 2HG MET 1 6.576 -24.596 -7.213 9 HE1 MET 1 3HE MET 1 5.919 -26.251 -9.131 10 HE2 MET 1 1HE MET 1 6.288 -25.032 -10.352 11 HE3 MET 1 2HE MET 1 4.749 -25.889 -10.401 12 H ALA 2 H ALA 2 7.305 -19.717 -6.170 13 HA ALA 2 HA ALA 2 6.119 -19.030 -3.567 14 HB1 ALA 2 3HB ALA 2 8.384 -18.181 -3.950 15 HB2 ALA 2 1HB ALA 2 7.221 -16.862 -3.821 16 HB3 ALA 2 2HB ALA 2 7.829 -17.350 -5.402 17 HA PRO 3 HA PRO 3 2.761 -17.826 -6.334 18 HB2 PRO 3 1HB PRO 3 0.758 -18.147 -4.582 19 HB3 PRO 3 2HB PRO 3 1.565 -19.528 -5.336 20 HG2 PRO 3 1HG PRO 3 1.890 -18.404 -2.590 21 HG3 PRO 3 2HG PRO 3 1.902 -20.094 -3.122 22 HD2 PRO 3 1HD PRO 3 4.160 -18.557 -2.590 23 HD3 PRO 3 2HD PRO 3 4.135 -20.047 -3.553 24 H LEU 4 H LEU 4 3.786 -16.398 -3.362 25 HA LEU 4 HA LEU 4 2.037 -14.073 -3.819 26 HB2 LEU 4 1HB LEU 4 1.947 -15.312 -1.602 27 HB3 LEU 4 2HB LEU 4 3.571 -14.723 -1.311 28 HG LEU 4 HG LEU 4 2.786 -12.427 -1.332 29 HD11 LEU 4 1HD1 LEU 4 0.387 -11.928 -1.452 30 HD12 LEU 4 2HD1 LEU 4 0.059 -13.618 -1.829 31 HD13 LEU 4 3HD1 LEU 4 0.987 -12.627 -2.953 32 HD21 LEU 4 3HD2 LEU 4 1.181 -14.262 0.442 33 HD22 LEU 4 1HD2 LEU 4 1.375 -12.528 0.695 34 HD23 LEU 4 2HD2 LEU 4 2.777 -13.593 0.779 35 H GLN 5 H GLN 5 2.972 -12.331 -4.667 36 HA GLN 5 HA GLN 5 5.866 -12.170 -4.759 37 HB2 GLN 5 1HB GLN 5 3.785 -10.308 -5.922 38 HB3 GLN 5 2HB GLN 5 5.513 -10.247 -6.240 39 HG2 GLN 5 1HG GLN 5 5.340 -12.551 -7.180 40 HG3 GLN 5 2HG GLN 5 3.590 -12.417 -7.022 41 HE21 GLN 5 2HE2 GLN 5 5.210 -12.784 -9.391 42 HE22 GLN 5 1HE2 GLN 5 4.857 -11.446 -10.440 43 H GLN 6 H GLN 6 7.032 -11.077 -3.360 44 HA GLN 6 HA GLN 6 5.720 -8.984 -1.766 45 HB2 GLN 6 1HB GLN 6 7.533 -11.182 -0.778 46 HB3 GLN 6 2HB GLN 6 7.139 -9.756 0.168 47 HG2 GLN 6 1HG GLN 6 4.755 -10.371 0.044 48 HG3 GLN 6 2HG GLN 6 5.208 -11.841 -0.818 49 HE21 GLN 6 2HE2 GLN 6 3.880 -11.460 1.784 50 HE22 GLN 6 1HE2 GLN 6 4.850 -12.329 2.924 51 H LYS 7 H LYS 7 6.705 -7.131 -1.872 52 HA LYS 7 HA LYS 7 9.636 -7.063 -1.862 53 HB2 LYS 7 1HB LYS 7 7.827 -5.507 -3.704 54 HB3 LYS 7 2HB LYS 7 9.422 -4.914 -3.270 55 HG2 LYS 7 1HG LYS 7 10.298 -7.151 -4.118 56 HG3 LYS 7 2HG LYS 7 8.700 -7.362 -4.837 57 HD2 LYS 7 1HD LYS 7 8.970 -5.297 -6.091 58 HD3 LYS 7 2HD LYS 7 10.535 -5.016 -5.325 59 HE2 LYS 7 1HE LYS 7 9.837 -7.353 -7.100 60 HE3 LYS 7 2HE LYS 7 10.767 -5.938 -7.588 61 HZ1 LYS 7 3HZ LYS 7 11.559 -7.868 -5.468 62 HZ2 LYS 7 1HZ LYS 7 12.463 -6.527 -5.982 63 HZ3 LYS 7 2HZ LYS 7 12.187 -7.823 -7.043 64 H GLN 8 H GLN 8 10.498 -5.388 -0.637 65 HA GLN 8 HA GLN 8 8.675 -4.123 1.205 66 HB2 GLN 8 1HB GLN 8 11.661 -3.762 0.875 67 HB3 GLN 8 2HB GLN 8 10.695 -3.151 2.212 68 HG2 GLN 8 1HG GLN 8 10.121 -5.453 2.834 69 HG3 GLN 8 2HG GLN 8 11.128 -6.046 1.516 70 HE21 GLN 8 2HE2 GLN 8 11.360 -6.560 4.350 71 HE22 GLN 8 1HE2 GLN 8 12.939 -6.025 4.813 72 H VAL 9 H VAL 9 7.720 -2.249 0.897 73 HA VAL 9 HA VAL 9 8.854 -0.396 -1.095 74 HB VAL 9 HB VAL 9 6.499 0.251 -1.665 75 HG11 VAL 9 1HG1 VAL 9 7.773 -1.192 -3.143 76 HG12 VAL 9 2HG1 VAL 9 6.080 -1.690 -3.117 77 HG13 VAL 9 3HG1 VAL 9 7.285 -2.611 -2.216 78 HG21 VAL 9 3HG2 VAL 9 5.834 -2.236 -0.088 79 HG22 VAL 9 1HG2 VAL 9 4.708 -1.359 -1.125 80 HG23 VAL 9 2HG2 VAL 9 5.372 -0.581 0.312 81 H VAL 10 H VAL 10 8.049 1.841 -0.843 82 HA VAL 10 HA VAL 10 7.815 2.514 2.006 83 HB VAL 10 HB VAL 10 8.421 4.383 -0.291 84 HG11 VAL 10 1HG1 VAL 10 8.711 4.697 2.694 85 HG12 VAL 10 2HG1 VAL 10 7.543 5.515 1.657 86 HG13 VAL 10 3HG1 VAL 10 9.263 5.862 1.490 87 HG21 VAL 10 3HG2 VAL 10 10.321 2.952 1.557 88 HG22 VAL 10 1HG2 VAL 10 10.769 4.282 0.491 89 HG23 VAL 10 2HG2 VAL 10 10.192 2.761 -0.189 90 H VAL 11 H VAL 11 5.849 3.032 2.755 91 HA VAL 11 HA VAL 11 3.700 3.867 1.041 92 HB VAL 11 HB VAL 11 3.821 4.187 4.044 93 HG11 VAL 11 1HG1 VAL 11 1.986 5.353 2.952 94 HG12 VAL 11 2HG1 VAL 11 1.384 3.990 3.895 95 HG13 VAL 11 3HG1 VAL 11 1.505 3.862 2.141 96 HG21 VAL 11 3HG2 VAL 11 4.374 1.880 3.523 97 HG22 VAL 11 1HG2 VAL 11 2.963 1.759 2.471 98 HG23 VAL 11 2HG2 VAL 11 2.753 1.981 4.209 99 H SER 12 H SER 12 4.506 5.679 -0.044 100 HA SER 12 HA SER 12 5.925 7.715 1.380 101 HB2 SER 12 1HB SER 12 4.956 7.732 -1.483 102 HB3 SER 12 2HB SER 12 6.201 8.769 -0.787 103 HG SER 12 HG SER 12 7.559 7.069 -0.643 104 H ASN 13 H ASN 13 2.770 7.648 -0.303 105 HA ASN 13 HA ASN 13 1.958 9.974 1.243 106 HB2 ASN 13 1HB ASN 13 3.154 10.859 -0.761 107 HB3 ASN 13 2HB ASN 13 1.979 10.043 -1.784 108 HD21 ASN 13 2HD2 ASN 13 1.232 11.919 -2.706 109 HD22 ASN 13 1HD2 ASN 13 0.275 13.071 -1.833 110 H LYS 14 H LYS 14 -0.285 10.453 1.081 111 HA LYS 14 HA LYS 14 -1.949 8.148 0.394 112 HB2 LYS 14 1HB LYS 14 -3.731 9.449 1.581 113 HB3 LYS 14 2HB LYS 14 -2.340 9.068 2.588 114 HG2 LYS 14 1HG LYS 14 -1.479 11.332 2.267 115 HG3 LYS 14 2HG LYS 14 -2.867 11.717 1.248 116 HD2 LYS 14 1HD LYS 14 -4.372 11.409 3.104 117 HD3 LYS 14 2HD LYS 14 -3.052 10.840 4.128 118 HE2 LYS 14 1HE LYS 14 -1.974 13.036 3.938 119 HE3 LYS 14 2HE LYS 14 -3.318 13.603 2.946 120 HZ1 LYS 14 3HZ LYS 14 -3.522 14.277 5.271 121 HZ2 LYS 14 1HZ LYS 14 -3.551 12.651 5.752 122 HZ3 LYS 14 2HZ LYS 14 -4.809 13.276 4.801 123 H ARG 15 H ARG 15 -3.778 8.368 -0.973 124 HA ARG 15 HA ARG 15 -3.730 10.719 -2.739 125 HB2 ARG 15 1HB ARG 15 -3.705 7.826 -3.611 126 HB3 ARG 15 2HB ARG 15 -3.938 9.193 -4.689 127 HG2 ARG 15 1HG ARG 15 -1.524 9.289 -3.008 128 HG3 ARG 15 2HG ARG 15 -1.564 8.025 -4.236 129 HD2 ARG 15 1HD ARG 15 -2.107 10.932 -4.799 130 HD3 ARG 15 2HD ARG 15 -0.522 10.176 -4.975 131 HE ARG 15 HE ARG 15 -2.837 9.108 -6.439 132 HH11 ARG 15 1HH1 ARG 15 0.324 10.618 -6.436 133 HH12 ARG 15 2HH1 ARG 15 0.598 10.346 -8.136 134 HH21 ARG 15 1HH2 ARG 15 -2.489 8.746 -8.648 135 HH22 ARG 15 2HH2 ARG 15 -1.007 9.258 -9.396 136 H GLU 16 H GLU 16 -5.663 10.761 -4.204 137 HA GLU 16 HA GLU 16 -7.968 9.266 -3.241 138 HB2 GLU 16 1HB GLU 16 -7.988 11.306 -1.881 139 HB3 GLU 16 2HB GLU 16 -7.911 12.288 -3.339 140 HG2 GLU 16 1HG GLU 16 -10.085 11.205 -4.033 141 HG3 GLU 16 2HG GLU 16 -10.174 10.553 -2.396 142 H LYS 17 H LYS 17 -8.349 8.268 -5.166 143 HA LYS 17 HA LYS 17 -9.083 10.043 -7.399 144 HB2 LYS 17 1HB LYS 17 -8.300 7.125 -7.391 145 HB3 LYS 17 2HB LYS 17 -9.019 7.921 -8.781 146 HG2 LYS 17 1HG LYS 17 -6.455 8.805 -7.482 147 HG3 LYS 17 2HG LYS 17 -6.541 7.708 -8.859 148 HD2 LYS 17 1HD LYS 17 -7.692 9.451 -10.157 149 HD3 LYS 17 2HD LYS 17 -7.567 10.544 -8.775 150 HE2 LYS 17 1HE LYS 17 -5.154 10.471 -8.889 151 HE3 LYS 17 2HE LYS 17 -5.219 9.282 -10.187 152 HZ1 LYS 17 3HZ LYS 17 -6.281 10.926 -11.600 153 HZ2 LYS 17 1HZ LYS 17 -4.785 11.498 -11.032 154 HZ3 LYS 17 2HZ LYS 17 -6.224 12.077 -10.348 155 HA PRO 18 HA PRO 18 -13.168 8.746 -5.833 156 HB2 PRO 18 1HB PRO 18 -14.052 11.034 -7.451 157 HB3 PRO 18 2HB PRO 18 -14.290 10.723 -5.729 158 HG2 PRO 18 1HG PRO 18 -12.624 12.644 -6.613 159 HG3 PRO 18 2HG PRO 18 -12.301 11.719 -5.137 160 HD2 PRO 18 1HD PRO 18 -11.121 11.396 -7.870 161 HD3 PRO 18 2HD PRO 18 -10.329 11.303 -6.282 162 H VAL 19 H VAL 19 -14.792 7.634 -6.896 163 HA VAL 19 HA VAL 19 -14.129 6.887 -9.617 164 HB VAL 19 HB VAL 19 -16.431 5.848 -7.960 165 HG11 VAL 19 1HG1 VAL 19 -14.967 4.662 -10.320 166 HG12 VAL 19 2HG1 VAL 19 -16.577 5.378 -10.355 167 HG13 VAL 19 3HG1 VAL 19 -16.289 3.903 -9.433 168 HG21 VAL 19 3HG2 VAL 19 -14.967 3.986 -7.333 169 HG22 VAL 19 1HG2 VAL 19 -14.352 5.526 -6.732 170 HG23 VAL 19 2HG2 VAL 19 -13.615 4.775 -8.148 171 H ASN 20 H ASN 20 -14.632 8.970 -10.557 172 HA ASN 20 HA ASN 20 -17.428 9.682 -10.777 173 HB2 ASN 20 1HB ASN 20 -15.650 11.421 -10.865 174 HB3 ASN 20 2HB ASN 20 -15.053 10.705 -12.358 175 HD21 ASN 20 2HD2 ASN 20 -15.397 12.650 -13.446 176 HD22 ASN 20 1HD2 ASN 20 -16.987 13.170 -13.906 177 H ASP 21 H ASP 21 -18.516 8.042 -11.681 178 HA ASP 21 HA ASP 21 -17.319 6.673 -13.986 179 HB2 ASP 21 1HB ASP 21 -17.700 5.256 -12.060 180 HB3 ASP 21 2HB ASP 21 -19.376 5.780 -11.964 181 H ARG 22 H ARG 22 -20.537 7.480 -12.757 182 HA ARG 22 HA ARG 22 -21.347 8.201 -15.482 183 HB2 ARG 22 1HB ARG 22 -22.809 6.319 -13.621 184 HB3 ARG 22 2HB ARG 22 -23.571 7.080 -15.010 185 HG2 ARG 22 1HG ARG 22 -22.238 5.892 -16.531 186 HG3 ARG 22 2HG ARG 22 -21.091 5.411 -15.279 187 HD2 ARG 22 1HD ARG 22 -23.974 4.528 -15.391 188 HD3 ARG 22 2HD ARG 22 -22.614 3.582 -15.998 189 HE ARG 22 HE ARG 22 -21.787 3.907 -13.547 190 HH11 ARG 22 1HH1 ARG 22 -25.058 3.216 -14.625 191 HH12 ARG 22 2HH1 ARG 22 -25.523 2.464 -13.134 192 HH21 ARG 22 1HH2 ARG 22 -22.397 2.922 -11.595 193 HH22 ARG 22 2HH2 ARG 22 -23.996 2.261 -11.415 194 H ARG 23 H ARG 23 -23.102 7.870 -12.425 195 HA ARG 23 HA ARG 23 -23.090 10.600 -11.740 196 HB2 ARG 23 1HB ARG 23 -24.571 10.566 -13.849 197 HB3 ARG 23 2HB ARG 23 -25.748 9.719 -12.853 198 HG2 ARG 23 1HG ARG 23 -25.546 11.675 -11.237 199 HG3 ARG 23 2HG ARG 23 -24.712 12.516 -12.545 200 HD2 ARG 23 1HD ARG 23 -27.538 11.504 -12.472 201 HD3 ARG 23 2HD ARG 23 -26.971 13.155 -12.713 202 HE ARG 23 HE ARG 23 -25.973 12.113 -14.875 203 HH11 ARG 23 1HH1 ARG 23 -29.047 11.341 -13.389 204 HH12 ARG 23 2HH1 ARG 23 -29.799 10.875 -14.884 205 HH21 ARG 23 1HH2 ARG 23 -26.947 11.489 -16.843 206 HH22 ARG 23 2HH2 ARG 23 -28.599 10.930 -16.847 207 H SER 24 H SER 24 -22.775 9.823 -9.689 208 HA SER 24 HA SER 24 -24.604 7.923 -8.519 209 HB2 SER 24 1HB SER 24 -22.454 9.602 -7.199 210 HB3 SER 24 2HB SER 24 -23.255 8.194 -6.501 211 HG SER 24 HG SER 24 -21.321 7.509 -7.352 212 H ARG 25 H ARG 25 -26.411 8.395 -7.353 213 HA ARG 25 HA ARG 25 -27.354 11.102 -7.516 214 HB2 ARG 25 1HB ARG 25 -28.622 8.670 -6.254 215 HB3 ARG 25 2HB ARG 25 -29.414 10.226 -6.454 216 HG2 ARG 25 1HG ARG 25 -28.907 9.931 -8.955 217 HG3 ARG 25 2HG ARG 25 -28.620 8.238 -8.543 218 HD2 ARG 25 1HD ARG 25 -30.899 8.458 -9.237 219 HD3 ARG 25 2HD ARG 25 -30.879 8.181 -7.496 220 HE ARG 25 HE ARG 25 -31.007 10.950 -8.423 221 HH11 ARG 25 1HH1 ARG 25 -32.629 8.208 -6.947 222 HH12 ARG 25 2HH1 ARG 25 -34.030 9.133 -6.481 223 HH21 ARG 25 1HH2 ARG 25 -32.841 12.144 -7.839 224 HH22 ARG 25 2HH2 ARG 25 -34.153 11.376 -6.998 225 H GLN 26 H GLN 26 -27.069 12.622 -6.103 226 HA GLN 26 HA GLN 26 -26.123 11.926 -3.427 227 HB2 GLN 26 1HB GLN 26 -26.081 14.540 -4.947 228 HB3 GLN 26 2HB GLN 26 -25.454 14.321 -3.317 229 HG2 GLN 26 1HG GLN 26 -23.780 12.806 -4.088 230 HG3 GLN 26 2HG GLN 26 -24.484 12.764 -5.701 231 HE21 GLN 26 2HE2 GLN 26 -21.800 13.447 -4.816 232 HE22 GLN 26 1HE2 GLN 26 -21.489 15.035 -5.431 233 H GLN 27 H GLN 27 -27.699 11.652 -2.043 234 HA GLN 27 HA GLN 27 -30.317 12.634 -2.374 235 HB2 GLN 27 1HB GLN 27 -28.940 11.406 0.013 236 HB3 GLN 27 2HB GLN 27 -30.660 11.768 -0.045 237 HG2 GLN 27 1HG GLN 27 -30.953 10.226 -1.885 238 HG3 GLN 27 2HG GLN 27 -29.218 9.915 -1.925 239 HE21 GLN 27 2HE2 GLN 27 -31.463 8.092 -1.504 240 HE22 GLN 27 1HE2 GLN 27 -31.166 7.317 0.015 241 H GLU 28 H GLU 28 -31.483 14.092 -1.154 242 HA GLU 28 HA GLU 28 -30.017 16.472 -0.491 243 HB2 GLU 28 1HB GLU 28 -32.112 16.573 -1.721 244 HB3 GLU 28 2HB GLU 28 -32.958 15.793 -0.396 245 HG2 GLU 28 1HG GLU 28 -32.638 17.708 1.008 246 HG3 GLU 28 2HG GLU 28 -31.612 18.472 -0.207 247 H VAL 29 H VAL 29 -29.177 16.852 1.415 248 HA VAL 29 HA VAL 29 -28.945 17.122 3.657 249 HB VAL 29 HB VAL 29 -31.659 15.819 3.925 250 HG11 VAL 29 1HG1 VAL 29 -31.655 16.712 6.207 251 HG12 VAL 29 2HG1 VAL 29 -30.002 17.283 5.980 252 HG13 VAL 29 3HG1 VAL 29 -30.348 15.554 5.964 253 HG21 VAL 29 3HG2 VAL 29 -30.853 18.724 4.055 254 HG22 VAL 29 1HG2 VAL 29 -32.474 18.088 4.326 255 HG23 VAL 29 2HG2 VAL 29 -31.729 17.953 2.732 256 H SER 30 H SER 30 -30.215 13.965 2.697 257 HA SER 30 HA SER 30 -28.983 12.545 4.842 258 HB2 SER 30 1HB SER 30 -30.962 11.637 3.807 259 HB3 SER 30 2HB SER 30 -30.185 11.613 2.227 260 HG SER 30 HG SER 30 -29.601 9.673 2.724 261 HA PRO 31 HA PRO 31 -25.034 12.150 2.668 262 HB2 PRO 31 1HB PRO 31 -23.509 12.673 4.815 263 HB3 PRO 31 2HB PRO 31 -24.388 13.952 3.972 264 HG2 PRO 31 1HG PRO 31 -24.870 12.820 6.629 265 HG3 PRO 31 2HG PRO 31 -25.492 14.319 5.923 266 HD2 PRO 31 1HD PRO 31 -26.768 11.685 6.099 267 HD3 PRO 31 2HD PRO 31 -27.494 13.261 5.713 268 H ALA 32 H ALA 32 -26.616 9.874 3.814 269 HA ALA 32 HA ALA 32 -24.822 8.397 5.515 270 HB1 ALA 32 3HB ALA 32 -26.538 6.687 5.523 271 HB2 ALA 32 1HB ALA 32 -27.395 7.513 4.221 272 HB3 ALA 32 2HB ALA 32 -27.250 8.276 5.804 273 H GLY 33 H GLY 33 -24.907 8.870 2.220 274 HA2 GLY 33 1HA GLY 33 -23.877 6.175 1.640 275 HA3 GLY 33 2HA GLY 33 -24.433 7.333 0.442 276 H THR 34 H THR 34 -22.461 8.641 2.909 277 HA THR 34 HA THR 34 -20.365 9.087 0.942 278 HB THR 34 HB THR 34 -20.513 10.222 3.737 279 HG1 THR 34 HG1 THR 34 -21.472 12.059 2.660 280 HG21 THR 34 3HG2 THR 34 -18.335 10.412 2.639 281 HG22 THR 34 1HG2 THR 34 -19.106 11.993 2.772 282 HG23 THR 34 2HG2 THR 34 -19.102 11.141 1.228 283 H SER 35 H SER 35 -19.194 7.219 0.828 284 HA SER 35 HA SER 35 -17.750 6.472 3.279 285 HB2 SER 35 1HB SER 35 -19.258 4.672 2.416 286 HB3 SER 35 2HB SER 35 -18.350 4.684 0.904 287 HG SER 35 HG SER 35 -17.742 3.071 2.574 288 H MET 36 H MET 36 -15.934 7.680 3.083 289 HA MET 36 HA MET 36 -14.661 8.077 0.533 290 HB2 MET 36 1HB MET 36 -13.886 8.874 3.333 291 HB3 MET 36 2HB MET 36 -12.889 9.222 1.929 292 HG2 MET 36 1HG MET 36 -14.799 10.464 0.951 293 HG3 MET 36 2HG MET 36 -15.678 10.211 2.458 294 HE1 MET 36 3HE MET 36 -11.810 10.872 2.098 295 HE2 MET 36 1HE MET 36 -11.761 12.633 2.163 296 HE3 MET 36 2HE MET 36 -12.518 11.822 0.792 297 H ARG 37 H ARG 37 -13.639 6.455 -0.367 298 HA ARG 37 HA ARG 37 -11.960 4.707 1.259 299 HB2 ARG 37 1HB ARG 37 -12.828 4.590 -1.630 300 HB3 ARG 37 2HB ARG 37 -11.683 3.462 -0.918 301 HG2 ARG 37 1HG ARG 37 -13.319 2.594 0.558 302 HG3 ARG 37 2HG ARG 37 -14.453 3.886 0.161 303 HD2 ARG 37 1HD ARG 37 -14.719 3.040 -2.069 304 HD3 ARG 37 2HD ARG 37 -13.449 1.843 -1.813 305 HE ARG 37 HE ARG 37 -14.906 0.601 -0.459 306 HH11 ARG 37 1HH1 ARG 37 -16.427 3.493 -1.715 307 HH12 ARG 37 2HH1 ARG 37 -18.043 2.948 -1.388 308 HH21 ARG 37 1HH2 ARG 37 -17.016 -0.141 -0.049 309 HH22 ARG 37 2HH2 ARG 37 -18.381 0.874 -0.420 310 H TYR 38 H TYR 38 -10.033 5.508 1.674 311 HA TYR 38 HA TYR 38 -8.774 7.515 0.078 312 HB2 TYR 38 1HB TYR 38 -7.572 5.856 2.307 313 HB3 TYR 38 2HB TYR 38 -6.944 7.372 1.676 314 HD1 TYR 38 HD2 TYR 38 -8.012 9.496 2.254 315 HD2 TYR 38 HD1 TYR 38 -9.443 5.813 3.835 316 HE1 TYR 38 HE2 TYR 38 -9.266 10.728 3.975 317 HE2 TYR 38 HE1 TYR 38 -10.697 7.034 5.561 318 HH TYR 38 HH TYR 38 -11.106 10.467 5.474 319 H GLU 39 H GLU 39 -6.349 7.153 -0.440 320 HA GLU 39 HA GLU 39 -5.855 4.444 -1.446 321 HB2 GLU 39 1HB GLU 39 -5.268 7.020 -2.917 322 HB3 GLU 39 2HB GLU 39 -4.696 5.434 -3.408 323 HG2 GLU 39 1HG GLU 39 -7.045 4.716 -3.676 324 HG3 GLU 39 2HG GLU 39 -7.555 6.361 -3.289 325 H ALA 40 H ALA 40 -3.712 3.791 -1.372 326 HA ALA 40 HA ALA 40 -1.835 5.656 -0.082 327 HB1 ALA 40 3HB ALA 40 -2.070 2.688 0.434 328 HB2 ALA 40 1HB ALA 40 -2.569 3.974 1.537 329 HB3 ALA 40 2HB ALA 40 -0.864 3.767 1.135 330 H SER 41 H SER 41 0.007 5.943 -1.167 331 HA SER 41 HA SER 41 0.476 4.274 -3.512 332 HB2 SER 41 1HB SER 41 1.800 6.858 -2.643 333 HB3 SER 41 2HB SER 41 2.110 6.012 -4.158 334 HG SER 41 HG SER 41 -0.048 6.373 -4.752 335 H PHE 42 H PHE 42 1.820 2.659 -3.433 336 HA PHE 42 HA PHE 42 3.903 2.598 -1.369 337 HB2 PHE 42 1HB PHE 42 2.837 0.380 -3.136 338 HB3 PHE 42 2HB PHE 42 4.035 0.186 -1.861 339 HD1 PHE 42 HD2 PHE 42 3.341 0.678 0.520 340 HD2 PHE 42 HD1 PHE 42 0.548 0.284 -2.663 341 HE1 PHE 42 HE2 PHE 42 1.542 0.291 2.152 342 HE2 PHE 42 HE1 PHE 42 -1.256 -0.104 -1.037 343 HZ PHE 42 HZ PHE 42 -0.760 -0.100 1.375 344 H LYS 43 H LYS 43 5.886 3.123 -1.963 345 HA LYS 43 HA LYS 43 6.390 3.463 -4.818 346 HB2 LYS 43 1HB LYS 43 6.688 5.377 -3.275 347 HB3 LYS 43 2HB LYS 43 7.943 4.480 -2.432 348 HG2 LYS 43 1HG LYS 43 9.362 4.530 -4.360 349 HG3 LYS 43 2HG LYS 43 8.076 5.235 -5.343 350 HD2 LYS 43 1HD LYS 43 8.093 7.224 -3.880 351 HD3 LYS 43 2HD LYS 43 9.432 6.520 -2.972 352 HE2 LYS 43 1HE LYS 43 10.816 6.535 -4.974 353 HE3 LYS 43 2HE LYS 43 9.473 7.183 -5.914 354 HZ1 LYS 43 3HZ LYS 43 10.816 8.541 -3.638 355 HZ2 LYS 43 1HZ LYS 43 9.509 9.165 -4.525 356 HZ3 LYS 43 2HZ LYS 43 11.010 8.925 -5.279 357 HA PRO 44 HA PRO 44 8.946 -0.211 -4.827 358 HB2 PRO 44 1HB PRO 44 9.694 0.859 -7.478 359 HB3 PRO 44 2HB PRO 44 9.006 -0.711 -7.056 360 HG2 PRO 44 1HG PRO 44 7.548 1.157 -8.294 361 HG3 PRO 44 2HG PRO 44 6.836 0.085 -7.072 362 HD2 PRO 44 1HD PRO 44 7.706 2.938 -6.817 363 HD3 PRO 44 2HD PRO 44 6.273 2.132 -6.145 364 H LEU 45 H LEU 45 11.027 -0.490 -4.264 365 HA LEU 45 HA LEU 45 12.594 1.814 -3.687 366 HB2 LEU 45 1HB LEU 45 13.206 -1.127 -3.461 367 HB3 LEU 45 2HB LEU 45 14.284 0.140 -2.907 368 HG LEU 45 HG LEU 45 11.488 -0.328 -1.872 369 HD11 LEU 45 1HD1 LEU 45 14.167 -0.955 -0.644 370 HD12 LEU 45 2HD1 LEU 45 12.972 -2.124 -1.215 371 HD13 LEU 45 3HD1 LEU 45 12.605 -1.087 0.167 372 HD21 LEU 45 3HD2 LEU 45 12.181 2.012 -1.762 373 HD22 LEU 45 1HD2 LEU 45 13.658 1.537 -0.923 374 HD23 LEU 45 2HD2 LEU 45 12.089 1.290 -0.155 375 H ASN 46 H ASN 46 12.514 -0.442 -6.335 376 HA ASN 46 HA ASN 46 15.117 0.479 -7.276 377 HB2 ASN 46 1HB ASN 46 13.229 -1.601 -8.391 378 HB3 ASN 46 2HB ASN 46 14.750 -1.154 -9.152 379 HD21 ASN 46 2HD2 ASN 46 15.660 -3.139 -8.975 380 HD22 ASN 46 1HD2 ASN 46 16.129 -3.846 -7.463 381 H GLY 47 H GLY 47 12.544 2.018 -7.146 382 HA2 GLY 47 1HA GLY 47 11.677 3.785 -8.355 383 HA3 GLY 47 2HA GLY 47 12.853 3.437 -9.614 384 H GLY 48 H GLY 48 10.149 4.189 -10.041 385 HA2 GLY 48 1HA GLY 48 9.386 2.863 -12.200 386 HA3 GLY 48 2HA GLY 48 8.829 1.755 -10.952 387 H LEU 49 H LEU 49 6.665 2.036 -11.484 388 HA LEU 49 HA LEU 49 5.543 4.691 -10.964 389 HB2 LEU 49 1HB LEU 49 4.773 3.479 -12.970 390 HB3 LEU 49 2HB LEU 49 4.218 2.161 -11.956 391 HG LEU 49 HG LEU 49 2.585 3.695 -10.896 392 HD11 LEU 49 1HD1 LEU 49 3.499 5.645 -13.006 393 HD12 LEU 49 2HD1 LEU 49 3.790 5.793 -11.272 394 HD13 LEU 49 3HD1 LEU 49 2.143 5.866 -11.900 395 HD21 LEU 49 3HD2 LEU 49 1.069 3.822 -12.806 396 HD22 LEU 49 1HD2 LEU 49 1.925 2.281 -12.771 397 HD23 LEU 49 2HD2 LEU 49 2.421 3.539 -13.902 398 H GLU 50 H GLU 50 4.834 5.145 -8.992 399 HA GLU 50 HA GLU 50 4.891 3.336 -6.859 400 HB2 GLU 50 1HB GLU 50 3.574 6.023 -7.193 401 HB3 GLU 50 2HB GLU 50 3.427 5.108 -5.702 402 HG2 GLU 50 1HG GLU 50 5.178 6.725 -5.476 403 HG3 GLU 50 2HG GLU 50 5.878 5.110 -5.489 404 H LYS 51 H LYS 51 3.494 1.886 -6.112 405 HA LYS 51 HA LYS 51 1.096 1.395 -7.653 406 HB2 LYS 51 1HB LYS 51 2.469 -0.080 -5.416 407 HB3 LYS 51 2HB LYS 51 0.874 -0.550 -5.981 408 HG2 LYS 51 1HG LYS 51 1.830 -0.837 -8.257 409 HG3 LYS 51 2HG LYS 51 3.426 -0.519 -7.572 410 HD2 LYS 51 1HD LYS 51 3.327 -2.458 -6.208 411 HD3 LYS 51 2HD LYS 51 1.610 -2.684 -6.540 412 HE2 LYS 51 1HE LYS 51 2.820 -4.296 -7.816 413 HE3 LYS 51 2HE LYS 51 2.200 -3.081 -8.930 414 HZ1 LYS 51 3HZ LYS 51 4.467 -3.661 -9.462 415 HZ2 LYS 51 1HZ LYS 51 4.983 -3.247 -7.906 416 HZ3 LYS 51 2HZ LYS 51 4.400 -2.045 -8.947 417 H THR 52 H THR 52 -0.523 2.729 -7.223 418 HA THR 52 HA THR 52 -1.083 3.456 -4.440 419 HB THR 52 HB THR 52 -2.335 4.582 -6.951 420 HG1 THR 52 HG1 THR 52 -0.010 4.881 -6.817 421 HG21 THR 52 3HG2 THR 52 -2.922 6.462 -5.502 422 HG22 THR 52 1HG2 THR 52 -2.151 5.658 -4.133 423 HG23 THR 52 2HG2 THR 52 -3.591 4.957 -4.869 424 H PHE 53 H PHE 53 -2.356 2.029 -3.460 425 HA PHE 53 HA PHE 53 -4.565 0.828 -4.987 426 HB2 PHE 53 1HB PHE 53 -3.203 -0.083 -2.445 427 HB3 PHE 53 2HB PHE 53 -4.635 -0.850 -3.124 428 HD1 PHE 53 HD2 PHE 53 -4.475 -1.867 -5.427 429 HD2 PHE 53 HD1 PHE 53 -1.065 -0.635 -3.200 430 HE1 PHE 53 HE2 PHE 53 -3.048 -3.291 -6.835 431 HE2 PHE 53 HE1 PHE 53 0.369 -2.059 -4.603 432 HZ PHE 53 HZ PHE 53 -0.622 -3.390 -6.423 433 H ARG 54 H ARG 54 -6.618 1.213 -4.447 434 HA ARG 54 HA ARG 54 -7.181 3.230 -2.483 435 HB2 ARG 54 1HB ARG 54 -8.406 3.059 -4.646 436 HB3 ARG 54 2HB ARG 54 -9.115 1.550 -4.090 437 HG2 ARG 54 1HG ARG 54 -10.398 2.618 -2.455 438 HG3 ARG 54 2HG ARG 54 -9.435 4.095 -2.541 439 HD2 ARG 54 1HD ARG 54 -11.585 4.413 -3.629 440 HD3 ARG 54 2HD ARG 54 -10.276 4.506 -4.803 441 HE ARG 54 HE ARG 54 -11.769 1.992 -4.467 442 HH11 ARG 54 1HH1 ARG 54 -10.803 4.719 -6.459 443 HH12 ARG 54 2HH1 ARG 54 -11.436 4.031 -7.927 444 HH21 ARG 54 1HH2 ARG 54 -12.614 1.105 -6.386 445 HH22 ARG 54 2HH2 ARG 54 -12.470 1.976 -7.881 446 H LEU 55 H LEU 55 -7.814 2.967 -0.457 447 HA LEU 55 HA LEU 55 -8.251 0.217 0.515 448 HB2 LEU 55 1HB LEU 55 -6.576 2.428 1.708 449 HB3 LEU 55 2HB LEU 55 -6.999 0.957 2.568 450 HG LEU 55 HG LEU 55 -5.379 1.064 0.021 451 HD11 LEU 55 1HD1 LEU 55 -4.523 0.614 2.877 452 HD12 LEU 55 2HD1 LEU 55 -4.165 2.034 1.893 453 HD13 LEU 55 3HD1 LEU 55 -3.487 0.465 1.456 454 HD21 LEU 55 3HD2 LEU 55 -5.987 -1.223 1.892 455 HD22 LEU 55 1HD2 LEU 55 -4.932 -1.290 0.480 456 HD23 LEU 55 2HD2 LEU 55 -6.660 -1.004 0.276 457 H GLN 56 H GLN 56 -9.340 0.101 2.605 458 HA GLN 56 HA GLN 56 -11.454 2.069 2.857 459 HB2 GLN 56 1HB GLN 56 -11.866 -0.389 3.079 460 HB3 GLN 56 2HB GLN 56 -10.895 -0.383 4.543 461 HG2 GLN 56 1HG GLN 56 -12.484 1.157 5.587 462 HG3 GLN 56 2HG GLN 56 -13.463 1.127 4.121 463 HE21 GLN 56 2HE2 GLN 56 -12.960 -1.714 3.662 464 HE22 GLN 56 1HE2 GLN 56 -13.929 -2.561 4.825 465 H ALA 57 H ALA 57 -11.942 3.033 4.997 466 HA ALA 57 HA ALA 57 -9.889 4.613 5.931 467 HB1 ALA 57 3HB ALA 57 -12.243 5.133 6.268 468 HB2 ALA 57 1HB ALA 57 -11.359 5.199 7.792 469 HB3 ALA 57 2HB ALA 57 -12.382 3.810 7.425 470 H GLN 58 H GLN 58 -11.130 1.626 7.419 471 HA GLN 58 HA GLN 58 -9.469 1.706 9.690 472 HB2 GLN 58 1HB GLN 58 -10.760 -0.656 8.323 473 HB3 GLN 58 2HB GLN 58 -9.994 -0.718 9.902 474 HG2 GLN 58 1HG GLN 58 -11.620 0.965 10.707 475 HG3 GLN 58 2HG GLN 58 -12.429 0.873 9.142 476 HE21 GLN 58 2HE2 GLN 58 -13.413 0.228 11.812 477 HE22 GLN 58 1HE2 GLN 58 -13.911 -1.427 11.764 478 H GLN 59 H GLN 59 -8.960 0.481 6.463 479 HA GLN 59 HA GLN 59 -6.594 -1.009 7.104 480 HB2 GLN 59 1HB GLN 59 -7.746 -0.116 4.454 481 HB3 GLN 59 2HB GLN 59 -6.372 -1.201 4.630 482 HG2 GLN 59 1HG GLN 59 -7.746 -2.845 5.718 483 HG3 GLN 59 2HG GLN 59 -9.124 -1.746 5.721 484 HE21 GLN 59 2HE2 GLN 59 -8.794 -4.413 4.572 485 HE22 GLN 59 1HE2 GLN 59 -9.192 -4.245 2.895 486 H TYR 60 H TYR 60 -7.338 2.153 5.761 487 HA TYR 60 HA TYR 60 -4.670 2.930 5.222 488 HB2 TYR 60 1HB TYR 60 -6.457 4.128 4.166 489 HB3 TYR 60 2HB TYR 60 -7.199 4.511 5.714 490 HD1 TYR 60 HD1 TYR 60 -3.931 5.012 3.960 491 HD2 TYR 60 HD2 TYR 60 -6.919 6.649 6.510 492 HE1 TYR 60 HE1 TYR 60 -2.702 7.140 4.026 493 HE2 TYR 60 HE2 TYR 60 -5.697 8.782 6.581 494 HH TYR 60 HH TYR 60 -3.612 9.726 6.187 495 H HIS 61 H HIS 61 -6.535 2.717 8.104 496 HA HIS 61 HA HIS 61 -4.788 4.443 9.637 497 HB2 HIS 61 1HB HIS 61 -7.214 4.306 10.133 498 HB3 HIS 61 2HB HIS 61 -7.015 2.612 10.563 499 HD1 HIS 61 HD1 HIS 61 -6.434 2.114 12.933 500 HD2 HIS 61 HD2 HIS 61 -5.789 6.105 11.942 501 HE1 HIS 61 HE1 HIS 61 -5.858 3.272 15.096 502 HE2 HIS 61 HE2 HIS 61 -5.500 5.693 14.481 503 H ALA 62 H ALA 62 -4.913 1.157 8.707 504 HA ALA 62 HA ALA 62 -3.533 0.083 10.988 505 HB1 ALA 62 3HB ALA 62 -5.056 -1.311 9.694 506 HB2 ALA 62 1HB ALA 62 -3.428 -1.986 9.684 507 HB3 ALA 62 2HB ALA 62 -4.035 -1.125 8.270 508 H LEU 63 H LEU 63 -2.645 0.673 7.589 509 HA LEU 63 HA LEU 63 0.161 0.358 8.282 510 HB2 LEU 63 1HB LEU 63 0.500 0.718 5.791 511 HB3 LEU 63 2HB LEU 63 -0.328 -0.745 6.278 512 HG LEU 63 HG LEU 63 -2.483 0.721 5.808 513 HD11 LEU 63 1HD1 LEU 63 -1.315 2.783 5.308 514 HD12 LEU 63 2HD1 LEU 63 -2.146 2.186 3.871 515 HD13 LEU 63 3HD1 LEU 63 -0.403 1.978 4.031 516 HD21 LEU 63 3HD2 LEU 63 -2.524 -0.206 3.547 517 HD22 LEU 63 1HD2 LEU 63 -1.925 -1.380 4.718 518 HD23 LEU 63 2HD2 LEU 63 -0.795 -0.542 3.653 519 H THR 64 H THR 64 1.705 1.997 8.056 520 HA THR 64 HA THR 64 0.483 4.658 8.361 521 HB THR 64 HB THR 64 3.099 3.759 9.567 522 HG1 THR 64 HG1 THR 64 0.624 2.969 10.204 523 HG21 THR 64 3HG2 THR 64 2.765 6.185 9.429 524 HG22 THR 64 1HG2 THR 64 2.707 5.634 11.104 525 HG23 THR 64 2HG2 THR 64 1.213 6.022 10.251 526 H VAL 65 H VAL 65 1.363 6.409 7.338 527 HA VAL 65 HA VAL 65 2.926 6.080 5.029 528 HB VAL 65 HB VAL 65 2.300 8.551 6.651 529 HG11 VAL 65 1HG1 VAL 65 3.043 9.858 4.713 530 HG12 VAL 65 2HG1 VAL 65 3.603 8.379 3.934 531 HG13 VAL 65 3HG1 VAL 65 4.368 8.936 5.421 532 HG21 VAL 65 3HG2 VAL 65 0.747 9.016 4.802 533 HG22 VAL 65 1HG2 VAL 65 0.375 7.495 5.616 534 HG23 VAL 65 2HG2 VAL 65 1.198 7.481 4.054 535 H GLY 66 H GLY 66 5.053 6.116 4.660 536 HA2 GLY 66 1HA GLY 66 7.317 6.580 5.070 537 HA3 GLY 66 2HA GLY 66 6.911 7.018 6.727 538 H ASP 67 H ASP 67 5.269 4.291 6.423 539 HA ASP 67 HA ASP 67 7.320 2.781 7.765 540 HB2 ASP 67 1HB ASP 67 4.962 2.674 8.524 541 HB3 ASP 67 2HB ASP 67 4.530 1.894 7.004 542 H GLN 68 H GLN 68 8.877 2.399 6.253 543 HA GLN 68 HA GLN 68 8.442 1.082 3.782 544 HB2 GLN 68 1HB GLN 68 10.902 0.944 5.537 545 HB3 GLN 68 2HB GLN 68 10.824 0.622 3.811 546 HG2 GLN 68 1HG GLN 68 10.336 2.938 3.360 547 HG3 GLN 68 2HG GLN 68 10.268 3.291 5.085 548 HE21 GLN 68 2HE2 GLN 68 12.004 4.416 3.011 549 HE22 GLN 68 1HE2 GLN 68 13.624 4.127 3.552 550 H GLY 69 H GLY 69 7.699 -0.943 3.497 551 HA2 GLY 69 1HA GLY 69 8.573 -3.096 5.208 552 HA3 GLY 69 2HA GLY 69 6.895 -2.643 5.453 553 H THR 70 H THR 70 6.944 -5.054 4.789 554 HA THR 70 HA THR 70 7.477 -5.599 2.017 555 HB THR 70 HB THR 70 6.192 -7.431 4.047 556 HG1 THR 70 HG1 THR 70 8.422 -8.157 4.348 557 HG21 THR 70 3HG2 THR 70 7.840 -8.013 1.586 558 HG22 THR 70 1HG2 THR 70 6.087 -8.168 1.703 559 HG23 THR 70 2HG2 THR 70 7.131 -9.205 2.674 560 H LEU 71 H LEU 71 6.039 -5.806 0.390 561 HA LEU 71 HA LEU 71 3.177 -5.558 1.051 562 HB2 LEU 71 1HB LEU 71 4.072 -3.606 -0.145 563 HB3 LEU 71 2HB LEU 71 4.656 -4.651 -1.425 564 HG LEU 71 HG LEU 71 2.325 -5.262 -1.970 565 HD11 LEU 71 1HD1 LEU 71 0.490 -3.992 -0.991 566 HD12 LEU 71 2HD1 LEU 71 1.621 -3.192 0.102 567 HD13 LEU 71 3HD1 LEU 71 1.345 -4.930 0.231 568 HD21 LEU 71 3HD2 LEU 71 3.419 -3.439 -3.162 569 HD22 LEU 71 1HD2 LEU 71 2.873 -2.296 -1.937 570 HD23 LEU 71 2HD2 LEU 71 1.696 -3.119 -2.963 571 H SER 72 H SER 72 1.988 -7.260 0.586 572 HA SER 72 HA SER 72 3.082 -9.341 -1.182 573 HB2 SER 72 1HB SER 72 0.823 -9.552 0.819 574 HB3 SER 72 2HB SER 72 1.653 -10.876 -0.001 575 HG SER 72 HG SER 72 3.201 -9.098 1.487 576 H TYR 73 H TYR 73 2.255 -9.454 -3.156 577 HA TYR 73 HA TYR 73 -0.594 -9.058 -3.560 578 HB2 TYR 73 1HB TYR 73 -0.215 -7.485 -5.459 579 HB3 TYR 73 2HB TYR 73 0.213 -6.805 -3.894 580 HD1 TYR 73 HD1 TYR 73 2.600 -6.518 -3.285 581 HD2 TYR 73 HD2 TYR 73 1.428 -7.793 -7.171 582 HE1 TYR 73 HE1 TYR 73 4.831 -5.944 -4.138 583 HE2 TYR 73 HE2 TYR 73 3.659 -7.224 -8.036 584 HH TYR 73 HH TYR 73 6.301 -6.570 -6.019 585 H LYS 74 H LYS 74 -1.284 -9.706 -5.718 586 HA LYS 74 HA LYS 74 0.634 -11.463 -7.098 587 HB2 LYS 74 1HB LYS 74 -2.283 -12.045 -6.540 588 HB3 LYS 74 2HB LYS 74 -1.254 -13.009 -7.588 589 HG2 LYS 74 1HG LYS 74 0.171 -13.566 -5.681 590 HG3 LYS 74 2HG LYS 74 -0.863 -12.593 -4.631 591 HD2 LYS 74 1HD LYS 74 -2.762 -14.042 -5.153 592 HD3 LYS 74 2HD LYS 74 -1.736 -15.011 -6.211 593 HE2 LYS 74 1HE LYS 74 -0.360 -15.662 -4.319 594 HE3 LYS 74 2HE LYS 74 -1.309 -14.630 -3.249 595 HZ1 LYS 74 3HZ LYS 74 -1.966 -16.968 -3.105 596 HZ2 LYS 74 1HZ LYS 74 -2.369 -16.966 -4.749 597 HZ3 LYS 74 2HZ LYS 74 -3.241 -15.997 -3.668 598 H GLY 75 H GLY 75 1.033 -10.259 -8.872 599 HA2 GLY 75 1HA GLY 75 0.642 -9.213 -10.883 600 HA3 GLY 75 2HA GLY 75 -0.998 -9.848 -10.815 601 H THR 76 H THR 76 -2.554 -8.379 -10.692 602 HA THR 76 HA THR 76 -1.885 -5.667 -9.836 603 HB THR 76 HB THR 76 -4.239 -5.186 -10.678 604 HG1 THR 76 HG1 THR 76 -5.311 -7.019 -10.915 605 HG21 THR 76 3HG2 THR 76 -2.227 -4.693 -11.998 606 HG22 THR 76 1HG2 THR 76 -3.565 -5.210 -13.025 607 HG23 THR 76 2HG2 THR 76 -2.259 -6.333 -12.648 608 H ARG 77 H ARG 77 -3.050 -8.442 -8.430 609 HA ARG 77 HA ARG 77 -5.184 -7.202 -6.911 610 HB2 ARG 77 1HB ARG 77 -5.474 -9.490 -7.740 611 HB3 ARG 77 2HB ARG 77 -4.097 -10.016 -6.778 612 HG2 ARG 77 1HG ARG 77 -5.258 -9.535 -4.737 613 HG3 ARG 77 2HG ARG 77 -6.599 -8.804 -5.623 614 HD2 ARG 77 1HD ARG 77 -7.021 -11.000 -6.694 615 HD3 ARG 77 2HD ARG 77 -5.758 -11.698 -5.680 616 HE ARG 77 HE ARG 77 -7.130 -11.274 -3.759 617 HH11 ARG 77 1HH1 ARG 77 -8.701 -10.796 -6.863 618 HH12 ARG 77 2HH1 ARG 77 -10.309 -10.924 -6.203 619 HH21 ARG 77 1HH2 ARG 77 -9.259 -11.440 -2.907 620 HH22 ARG 77 2HH2 ARG 77 -10.619 -11.296 -3.978 621 H PHE 78 H PHE 78 -4.753 -6.043 -5.226 622 HA PHE 78 HA PHE 78 -2.428 -6.244 -3.603 623 HB2 PHE 78 1HB PHE 78 -3.746 -4.164 -3.850 624 HB3 PHE 78 2HB PHE 78 -5.112 -4.936 -3.064 625 HD1 PHE 78 HD2 PHE 78 -1.762 -3.522 -2.571 626 HD2 PHE 78 HD1 PHE 78 -5.199 -5.170 -0.676 627 HE1 PHE 78 HE2 PHE 78 -0.966 -2.682 -0.401 628 HE2 PHE 78 HE1 PHE 78 -4.409 -4.327 1.497 629 HZ PHE 78 HZ PHE 78 -2.289 -3.077 1.639 630 H VAL 79 H VAL 79 -2.055 -8.026 -2.402 631 HA VAL 79 HA VAL 79 -4.291 -9.562 -1.363 632 HB VAL 79 HB VAL 79 -1.319 -10.086 -1.124 633 HG11 VAL 79 1HG1 VAL 79 -2.547 -11.174 0.662 634 HG12 VAL 79 2HG1 VAL 79 -2.009 -12.376 -0.513 635 HG13 VAL 79 3HG1 VAL 79 -3.692 -11.845 -0.500 636 HG21 VAL 79 3HG2 VAL 79 -2.083 -10.148 -3.439 637 HG22 VAL 79 1HG2 VAL 79 -3.376 -11.261 -2.995 638 HG23 VAL 79 2HG2 VAL 79 -1.692 -11.770 -2.867 639 H GLY 80 H GLY 80 -1.472 -7.800 -0.093 640 HA2 GLY 80 1HA GLY 80 -2.789 -6.586 2.002 641 HA3 GLY 80 2HA GLY 80 -2.247 -8.132 2.636 642 H PHE 81 H PHE 81 -1.469 -5.366 3.305 643 HA PHE 81 HA PHE 81 1.359 -5.348 2.568 644 HB2 PHE 81 1HB PHE 81 0.117 -3.218 2.436 645 HB3 PHE 81 2HB PHE 81 -0.281 -3.343 4.144 646 HD1 PHE 81 HD1 PHE 81 2.512 -2.926 1.759 647 HD2 PHE 81 HD2 PHE 81 1.215 -2.592 5.799 648 HE1 PHE 81 HE1 PHE 81 4.576 -1.708 2.319 649 HE2 PHE 81 HE2 PHE 81 3.276 -1.374 6.363 650 HZ PHE 81 HZ PHE 81 4.959 -0.929 4.622 651 H VAL 82 H VAL 82 2.935 -5.913 3.965 652 HA VAL 82 HA VAL 82 2.090 -6.684 6.684 653 HB VAL 82 HB VAL 82 4.302 -7.942 5.044 654 HG11 VAL 82 1HG1 VAL 82 4.744 -8.006 7.436 655 HG12 VAL 82 2HG1 VAL 82 4.372 -9.620 6.825 656 HG13 VAL 82 3HG1 VAL 82 3.153 -8.714 7.724 657 HG21 VAL 82 3HG2 VAL 82 1.560 -9.006 5.718 658 HG22 VAL 82 1HG2 VAL 82 2.846 -9.917 4.926 659 HG23 VAL 82 2HG2 VAL 82 2.131 -8.520 4.122 660 H SER 83 H SER 83 2.768 -5.105 7.982 661 HA SER 83 HA SER 83 4.996 -3.449 7.464 662 HB2 SER 83 1HB SER 83 3.022 -2.837 8.900 663 HB3 SER 83 2HB SER 83 3.650 -3.922 10.137 664 HG SER 83 HG SER 83 4.763 -1.513 9.142 665 H ARG 84 H ARG 84 7.024 -3.403 8.413 666 HA ARG 84 HA ARG 84 8.235 -5.925 8.881 667 HB2 ARG 84 1HB ARG 84 9.299 -3.793 7.951 668 HB3 ARG 84 2HB ARG 84 9.396 -3.242 9.617 669 HG2 ARG 84 1HG ARG 84 10.803 -5.146 10.179 670 HG3 ARG 84 2HG ARG 84 10.687 -5.729 8.516 671 HD2 ARG 84 1HD ARG 84 12.765 -4.568 8.759 672 HD3 ARG 84 2HD ARG 84 11.696 -3.582 7.762 673 HE ARG 84 HE ARG 84 12.139 -3.072 10.637 674 HH11 ARG 84 1HH1 ARG 84 11.689 -1.929 7.357 675 HH12 ARG 84 2HH1 ARG 84 11.953 -0.260 7.761 676 HH21 ARG 84 1HH2 ARG 84 12.508 -0.881 11.169 677 HH22 ARG 84 2HH2 ARG 84 12.418 0.330 9.927 678 H THR 85 H THR 85 6.996 -3.387 10.925 679 HA THR 85 HA THR 85 7.655 -4.928 13.327 680 HB THR 85 HB THR 85 6.197 -2.285 13.256 681 HG1 THR 85 HG1 THR 85 8.086 -1.816 12.214 682 HG21 THR 85 3HG2 THR 85 7.144 -2.040 15.502 683 HG22 THR 85 1HG2 THR 85 7.953 -3.597 15.335 684 HG23 THR 85 2HG2 THR 85 6.192 -3.520 15.375 685 HA PRO 86 HA PRO 86 3.651 -6.884 12.971 686 HB2 PRO 86 1HB PRO 86 3.548 -7.705 15.621 687 HB3 PRO 86 2HB PRO 86 4.308 -8.604 14.304 688 HG2 PRO 86 1HG PRO 86 5.547 -6.816 16.347 689 HG3 PRO 86 2HG PRO 86 6.155 -8.337 15.669 690 HD2 PRO 86 1HD PRO 86 7.122 -5.964 14.876 691 HD3 PRO 86 2HD PRO 86 6.923 -7.309 13.735 692 H ASP 87 H ASP 87 1.529 -6.485 13.600 693 HA ASP 87 HA ASP 87 0.888 -3.874 14.380 694 HB2 ASP 87 1HB ASP 87 -0.769 -6.385 14.226 695 HB3 ASP 87 2HB ASP 87 -1.461 -4.847 14.725 696 H ASN 88 H ASN 88 1.568 -6.651 16.262 697 HA ASN 88 HA ASN 88 1.027 -5.082 18.684 698 HB2 ASN 88 1HB ASN 88 0.539 -8.029 18.228 699 HB3 ASN 88 2HB ASN 88 0.668 -7.330 19.840 700 HD21 ASN 88 2HD2 ASN 88 -1.592 -8.602 18.361 701 HD22 ASN 88 1HD2 ASN 88 -2.887 -7.442 18.442 702 H GLU 89 H GLU 89 2.534 -5.361 20.376 703 HA GLU 89 HA GLU 89 4.626 -5.530 21.247 704 HB2 GLU 89 1HB GLU 89 4.924 -7.547 19.070 705 HB3 GLU 89 2HB GLU 89 6.375 -6.892 19.809 706 HG2 GLU 89 1HG GLU 89 5.565 -7.625 22.007 707 HG3 GLU 89 2HG GLU 89 4.147 -8.330 21.228 708 H LEU 90 H LEU 90 3.966 -3.329 20.053 709 HA LEU 90 HA LEU 90 5.717 -2.530 17.956 710 HB2 LEU 90 1HB LEU 90 4.011 -0.989 19.899 711 HB3 LEU 90 2HB LEU 90 5.072 -0.179 18.765 712 HG LEU 90 HG LEU 90 2.862 -0.168 17.863 713 HD11 LEU 90 1HD1 LEU 90 4.515 -2.251 16.447 714 HD12 LEU 90 2HD1 LEU 90 4.652 -0.503 16.257 715 HD13 LEU 90 3HD1 LEU 90 3.183 -1.332 15.746 716 HD21 LEU 90 3HD2 LEU 90 1.923 -2.017 19.141 717 HD22 LEU 90 1HD2 LEU 90 2.855 -3.165 18.181 718 HD23 LEU 90 2HD2 LEU 90 1.592 -2.199 17.418 719 H GLU 91 H GLU 91 7.790 -3.083 18.544 720 HA GLU 91 HA GLU 91 9.075 -2.461 20.943 721 HB2 GLU 91 1HB GLU 91 10.339 -2.550 18.199 722 HB3 GLU 91 2HB GLU 91 11.153 -2.796 19.740 723 HG2 GLU 91 1HG GLU 91 9.806 -4.819 20.102 724 HG3 GLU 91 2HG GLU 91 9.052 -4.573 18.527 725 H HIS 92 H HIS 92 8.490 -0.574 18.068 726 HA HIS 92 HA HIS 92 9.567 1.783 19.461 727 HB2 HIS 92 1HB HIS 92 9.188 1.373 16.482 728 HB3 HIS 92 2HB HIS 92 9.794 2.842 17.241 729 HD1 HIS 92 HD1 HIS 92 12.234 2.819 18.100 730 HD2 HIS 92 HD2 HIS 92 11.019 -0.753 16.345 731 HE1 HIS 92 HE1 HIS 92 14.326 1.461 17.800 732 HE2 HIS 92 HE2 HIS 92 13.539 -0.769 16.936 733 H HIS 93 H HIS 93 7.882 2.629 20.506 734 HA HIS 93 HA HIS 93 5.188 2.231 19.687 735 HB2 HIS 93 1HB HIS 93 6.387 4.064 21.772 736 HB3 HIS 93 2HB HIS 93 4.655 3.841 21.541 737 HD1 HIS 93 HD1 HIS 93 3.655 2.124 23.031 738 HD2 HIS 93 HD2 HIS 93 7.691 1.399 22.315 739 HE1 HIS 93 HE1 HIS 93 4.229 0.074 24.368 740 HE2 HIS 93 HE2 HIS 93 6.607 -0.468 23.737 741 H HIS 94 H HIS 94 7.429 4.935 19.471 742 HA HIS 94 HA HIS 94 5.599 6.200 17.562 743 HB2 HIS 94 1HB HIS 94 7.909 7.195 19.162 744 HB3 HIS 94 2HB HIS 94 7.647 7.920 17.579 745 HD1 HIS 94 HD1 HIS 94 4.892 8.596 17.296 746 HD2 HIS 94 HD2 HIS 94 6.638 8.603 21.073 747 HE1 HIS 94 HE1 HIS 94 3.438 10.082 18.716 748 HE2 HIS 94 HE2 HIS 94 4.637 10.242 20.927 749 H HIS 95 H HIS 95 5.807 5.543 15.546 750 HA HIS 95 HA HIS 95 7.985 4.028 14.587 751 HB2 HIS 95 1HB HIS 95 5.619 4.089 13.642 752 HB3 HIS 95 2HB HIS 95 6.062 5.608 12.870 753 HD1 HIS 95 HD1 HIS 95 7.935 5.461 10.977 754 HD2 HIS 95 HD2 HIS 95 6.482 1.825 12.385 755 HE1 HIS 95 HE1 HIS 95 8.653 3.740 9.292 756 HE2 HIS 95 HE2 HIS 95 7.512 1.614 10.026 757 H HIS 96 H HIS 96 7.051 7.403 14.205 758 HA HIS 96 HA HIS 96 9.782 8.011 13.305 759 HB2 HIS 96 1HB HIS 96 8.036 8.696 11.718 760 HB3 HIS 96 2HB HIS 96 7.233 9.617 12.983 761 HD1 HIS 96 HD1 HIS 96 10.665 9.564 11.332 762 HD2 HIS 96 HD2 HIS 96 7.906 12.229 12.933 763 HE1 HIS 96 HE1 HIS 96 11.629 11.852 10.940 764 HE2 HIS 96 HE2 HIS 96 10.051 13.424 12.122 765 H HIS 97 H HIS 97 11.027 8.668 14.934 766 HA HIS 97 HA HIS 97 9.760 10.094 17.158 767 HB2 HIS 97 1HB HIS 97 11.751 9.564 18.481 768 HB3 HIS 97 2HB HIS 97 11.021 8.107 17.827 769 HD1 HIS 97 HD1 HIS 97 12.367 6.836 15.975 770 HD2 HIS 97 HD2 HIS 97 14.351 10.067 17.685 771 HE1 HIS 97 HE1 HIS 97 14.772 6.595 15.291 772 HE2 HIS 97 HE2 HIS 97 15.984 8.435 16.522 Start of MODEL 12 1 H1 MET 1 1H MET 1 2.211 -22.237 -9.710 2 H2 MET 1 2H MET 1 1.658 -21.976 -11.287 3 H3 MET 1 3H MET 1 1.103 -23.314 -10.413 4 HA MET 1 HA MET 1 -0.568 -21.588 -10.505 5 HB2 MET 1 1HB MET 1 0.705 -22.020 -7.795 6 HB3 MET 1 2HB MET 1 -0.879 -21.291 -8.026 7 HG2 MET 1 1HG MET 1 -1.682 -23.335 -9.065 8 HG3 MET 1 2HG MET 1 -0.091 -24.068 -8.873 9 HE1 MET 1 3HE MET 1 -1.162 -26.160 -7.653 10 HE2 MET 1 1HE MET 1 -2.757 -25.441 -7.881 11 HE3 MET 1 2HE MET 1 -2.274 -26.027 -6.291 12 H ALA 2 H ALA 2 -1.239 -19.469 -9.592 13 HA ALA 2 HA ALA 2 0.741 -17.502 -10.306 14 HB1 ALA 2 3HB ALA 2 -1.600 -17.230 -10.965 15 HB2 ALA 2 1HB ALA 2 -1.051 -15.880 -9.972 16 HB3 ALA 2 2HB ALA 2 -2.069 -17.136 -9.268 17 HA PRO 3 HA PRO 3 1.902 -17.128 -5.986 18 HB2 PRO 3 1HB PRO 3 4.382 -16.239 -6.395 19 HB3 PRO 3 2HB PRO 3 3.952 -17.920 -6.734 20 HG2 PRO 3 1HG PRO 3 4.380 -15.655 -8.617 21 HG3 PRO 3 2HG PRO 3 4.750 -17.374 -8.823 22 HD2 PRO 3 1HD PRO 3 2.490 -16.019 -9.815 23 HD3 PRO 3 2HD PRO 3 2.717 -17.777 -9.744 24 H LEU 4 H LEU 4 2.475 -15.353 -4.589 25 HA LEU 4 HA LEU 4 1.849 -12.738 -5.751 26 HB2 LEU 4 1HB LEU 4 1.141 -11.990 -3.656 27 HB3 LEU 4 2HB LEU 4 0.519 -13.621 -3.762 28 HG LEU 4 HG LEU 4 2.945 -12.763 -2.174 29 HD11 LEU 4 1HD1 LEU 4 1.552 -13.204 -0.232 30 HD12 LEU 4 2HD1 LEU 4 0.195 -13.613 -1.281 31 HD13 LEU 4 3HD1 LEU 4 0.822 -11.966 -1.254 32 HD21 LEU 4 3HD2 LEU 4 1.585 -15.445 -2.405 33 HD22 LEU 4 1HD2 LEU 4 2.814 -15.032 -1.209 34 HD23 LEU 4 2HD2 LEU 4 3.222 -15.039 -2.923 35 H GLN 5 H GLN 5 3.220 -10.973 -5.369 36 HA GLN 5 HA GLN 5 5.988 -11.821 -4.931 37 HB2 GLN 5 1HB GLN 5 4.895 -9.286 -6.169 38 HB3 GLN 5 2HB GLN 5 6.599 -9.710 -6.050 39 HG2 GLN 5 1HG GLN 5 6.175 -11.694 -7.445 40 HG3 GLN 5 2HG GLN 5 4.493 -11.194 -7.610 41 HE21 GLN 5 2HE2 GLN 5 6.508 -11.590 -9.662 42 HE22 GLN 5 1HE2 GLN 5 6.652 -10.079 -10.495 43 H GLN 6 H GLN 6 7.105 -11.223 -3.215 44 HA GLN 6 HA GLN 6 5.935 -9.179 -1.441 45 HB2 GLN 6 1HB GLN 6 7.536 -11.640 -0.721 46 HB3 GLN 6 2HB GLN 6 7.064 -10.391 0.422 47 HG2 GLN 6 1HG GLN 6 4.699 -10.881 -0.069 48 HG3 GLN 6 2HG GLN 6 5.219 -12.189 -1.131 49 HE21 GLN 6 2HE2 GLN 6 3.614 -12.210 1.332 50 HE22 GLN 6 1HE2 GLN 6 4.411 -13.322 2.395 51 H LYS 7 H LYS 7 7.063 -7.385 -1.664 52 HA LYS 7 HA LYS 7 9.992 -7.555 -1.500 53 HB2 LYS 7 1HB LYS 7 8.896 -7.068 -3.875 54 HB3 LYS 7 2HB LYS 7 8.764 -5.442 -3.222 55 HG2 LYS 7 1HG LYS 7 11.224 -5.537 -2.743 56 HG3 LYS 7 2HG LYS 7 11.269 -7.050 -3.649 57 HD2 LYS 7 1HD LYS 7 10.207 -5.769 -5.563 58 HD3 LYS 7 2HD LYS 7 10.559 -4.302 -4.648 59 HE2 LYS 7 1HE LYS 7 12.521 -6.318 -5.728 60 HE3 LYS 7 2HE LYS 7 12.334 -4.634 -6.211 61 HZ1 LYS 7 3HZ LYS 7 14.187 -4.658 -4.818 62 HZ2 LYS 7 1HZ LYS 7 13.463 -5.709 -3.696 63 HZ3 LYS 7 2HZ LYS 7 12.939 -4.101 -3.817 64 H GLN 8 H GLN 8 10.936 -5.408 -0.866 65 HA GLN 8 HA GLN 8 9.312 -4.240 1.241 66 HB2 GLN 8 1HB GLN 8 12.178 -3.636 0.476 67 HB3 GLN 8 2HB GLN 8 11.366 -3.148 1.957 68 HG2 GLN 8 1HG GLN 8 11.155 -5.490 2.614 69 HG3 GLN 8 2HG GLN 8 11.972 -5.976 1.130 70 HE21 GLN 8 2HE2 GLN 8 12.742 -6.454 3.889 71 HE22 GLN 8 1HE2 GLN 8 14.317 -5.754 4.074 72 H VAL 9 H VAL 9 8.073 -2.526 0.843 73 HA VAL 9 HA VAL 9 9.005 -0.581 -1.169 74 HB VAL 9 HB VAL 9 6.674 -0.120 -1.780 75 HG11 VAL 9 1HG1 VAL 9 7.927 -1.709 -3.124 76 HG12 VAL 9 2HG1 VAL 9 6.228 -2.177 -3.039 77 HG13 VAL 9 3HG1 VAL 9 7.428 -3.026 -2.063 78 HG21 VAL 9 3HG2 VAL 9 6.002 -2.450 0.009 79 HG22 VAL 9 1HG2 VAL 9 4.877 -1.618 -1.064 80 HG23 VAL 9 2HG2 VAL 9 5.594 -0.759 0.299 81 H VAL 10 H VAL 10 8.045 1.576 -0.894 82 HA VAL 10 HA VAL 10 7.751 2.234 1.961 83 HB VAL 10 HB VAL 10 8.344 4.133 -0.309 84 HG11 VAL 10 1HG1 VAL 10 9.114 5.625 1.483 85 HG12 VAL 10 2HG1 VAL 10 8.638 4.421 2.679 86 HG13 VAL 10 3HG1 VAL 10 7.415 5.190 1.669 87 HG21 VAL 10 3HG2 VAL 10 10.289 2.753 1.536 88 HG22 VAL 10 1HG2 VAL 10 10.693 4.086 0.454 89 HG23 VAL 10 2HG2 VAL 10 10.158 2.543 -0.210 90 H VAL 11 H VAL 11 5.699 2.655 2.607 91 HA VAL 11 HA VAL 11 3.650 3.472 0.769 92 HB VAL 11 HB VAL 11 3.615 3.737 3.785 93 HG11 VAL 11 1HG1 VAL 11 1.869 4.999 2.651 94 HG12 VAL 11 2HG1 VAL 11 1.181 3.623 3.515 95 HG13 VAL 11 3HG1 VAL 11 1.382 3.553 1.764 96 HG21 VAL 11 3HG2 VAL 11 4.128 1.439 3.194 97 HG22 VAL 11 1HG2 VAL 11 2.762 1.402 2.076 98 HG23 VAL 11 2HG2 VAL 11 2.479 1.560 3.810 99 H SER 12 H SER 12 4.044 5.372 -0.244 100 HA SER 12 HA SER 12 5.664 7.363 1.031 101 HB2 SER 12 1HB SER 12 5.288 8.550 -1.224 102 HB3 SER 12 2HB SER 12 6.163 7.018 -1.239 103 HG SER 12 HG SER 12 4.554 7.074 -2.862 104 H ASN 13 H ASN 13 2.373 7.426 -0.360 105 HA ASN 13 HA ASN 13 1.554 9.346 1.631 106 HB2 ASN 13 1HB ASN 13 0.937 11.112 0.046 107 HB3 ASN 13 2HB ASN 13 2.671 10.821 0.023 108 HD21 ASN 13 2HD2 ASN 13 -0.307 10.584 -1.750 109 HD22 ASN 13 1HD2 ASN 13 0.408 10.205 -3.280 110 H LYS 14 H LYS 14 -0.711 10.052 1.301 111 HA LYS 14 HA LYS 14 -2.345 7.867 0.309 112 HB2 LYS 14 1HB LYS 14 -2.857 8.999 2.471 113 HB3 LYS 14 2HB LYS 14 -3.166 10.487 1.588 114 HG2 LYS 14 1HG LYS 14 -5.010 9.392 0.402 115 HG3 LYS 14 2HG LYS 14 -4.707 7.914 1.313 116 HD2 LYS 14 1HD LYS 14 -6.527 9.053 2.356 117 HD3 LYS 14 2HD LYS 14 -5.119 9.217 3.407 118 HE2 LYS 14 1HE LYS 14 -6.315 11.324 3.251 119 HE3 LYS 14 2HE LYS 14 -4.723 11.464 2.506 120 HZ1 LYS 14 3HZ LYS 14 -7.185 10.907 0.945 121 HZ2 LYS 14 1HZ LYS 14 -5.666 11.386 0.362 122 HZ3 LYS 14 2HZ LYS 14 -6.618 12.478 1.236 123 H ARG 15 H ARG 15 -3.853 8.064 -1.346 124 HA ARG 15 HA ARG 15 -3.675 10.497 -2.999 125 HB2 ARG 15 1HB ARG 15 -2.367 8.602 -3.965 126 HB3 ARG 15 2HB ARG 15 -3.845 7.653 -4.020 127 HG2 ARG 15 1HG ARG 15 -4.810 9.141 -5.631 128 HG3 ARG 15 2HG ARG 15 -3.444 10.251 -5.484 129 HD2 ARG 15 1HD ARG 15 -1.950 8.648 -6.431 130 HD3 ARG 15 2HD ARG 15 -3.184 7.390 -6.383 131 HE ARG 15 HE ARG 15 -3.915 9.675 -7.972 132 HH11 ARG 15 1HH1 ARG 15 -2.189 6.622 -7.966 133 HH12 ARG 15 2HH1 ARG 15 -2.412 6.354 -9.667 134 HH21 ARG 15 1HH2 ARG 15 -4.203 9.332 -10.201 135 HH22 ARG 15 2HH2 ARG 15 -3.577 7.885 -10.942 136 H GLU 16 H GLU 16 -5.649 10.718 -4.457 137 HA GLU 16 HA GLU 16 -8.015 9.400 -3.389 138 HB2 GLU 16 1HB GLU 16 -7.533 11.388 -1.949 139 HB3 GLU 16 2HB GLU 16 -7.722 12.406 -3.367 140 HG2 GLU 16 1HG GLU 16 -10.035 11.813 -3.557 141 HG3 GLU 16 2HG GLU 16 -9.875 10.617 -2.268 142 H LYS 17 H LYS 17 -8.649 8.568 -5.322 143 HA LYS 17 HA LYS 17 -8.791 10.275 -7.676 144 HB2 LYS 17 1HB LYS 17 -9.541 7.380 -7.252 145 HB3 LYS 17 2HB LYS 17 -9.719 8.224 -8.780 146 HG2 LYS 17 1HG LYS 17 -7.282 8.599 -8.815 147 HG3 LYS 17 2HG LYS 17 -7.147 7.647 -7.332 148 HD2 LYS 17 1HD LYS 17 -8.260 5.763 -8.533 149 HD3 LYS 17 2HD LYS 17 -8.163 6.717 -10.013 150 HE2 LYS 17 1HE LYS 17 -6.331 5.138 -9.910 151 HE3 LYS 17 2HE LYS 17 -5.722 6.788 -9.789 152 HZ1 LYS 17 3HZ LYS 17 -5.430 6.534 -7.456 153 HZ2 LYS 17 1HZ LYS 17 -4.708 5.192 -8.200 154 HZ3 LYS 17 2HZ LYS 17 -6.220 5.042 -7.436 155 HA PRO 18 HA PRO 18 -13.151 11.131 -6.968 156 HB2 PRO 18 1HB PRO 18 -13.084 12.533 -9.504 157 HB3 PRO 18 2HB PRO 18 -13.261 13.201 -7.880 158 HG2 PRO 18 1HG PRO 18 -11.051 13.588 -9.431 159 HG3 PRO 18 2HG PRO 18 -11.019 13.597 -7.658 160 HD2 PRO 18 1HD PRO 18 -10.251 11.412 -9.560 161 HD3 PRO 18 2HD PRO 18 -9.453 11.932 -8.058 162 H VAL 19 H VAL 19 -14.325 9.334 -7.357 163 HA VAL 19 HA VAL 19 -14.084 7.823 -9.772 164 HB VAL 19 HB VAL 19 -16.160 7.556 -7.589 165 HG11 VAL 19 1HG1 VAL 19 -15.263 5.612 -9.716 166 HG12 VAL 19 2HG1 VAL 19 -16.817 6.443 -9.652 167 HG13 VAL 19 3HG1 VAL 19 -16.400 5.257 -8.415 168 HG21 VAL 19 3HG2 VAL 19 -14.715 5.792 -6.691 169 HG22 VAL 19 1HG2 VAL 19 -13.904 7.358 -6.691 170 HG23 VAL 19 2HG2 VAL 19 -13.507 6.158 -7.921 171 H ASN 20 H ASN 20 -14.997 8.323 -11.625 172 HA ASN 20 HA ASN 20 -17.684 9.530 -11.616 173 HB2 ASN 20 1HB ASN 20 -15.391 10.153 -13.497 174 HB3 ASN 20 2HB ASN 20 -17.044 10.697 -13.740 175 HD21 ASN 20 2HD2 ASN 20 -17.448 11.144 -10.859 176 HD22 ASN 20 1HD2 ASN 20 -16.593 12.606 -10.491 177 H ASP 21 H ASP 21 -19.127 8.709 -13.126 178 HA ASP 21 HA ASP 21 -18.293 6.189 -14.351 179 HB2 ASP 21 1HB ASP 21 -20.394 6.449 -12.866 180 HB3 ASP 21 2HB ASP 21 -21.120 7.241 -14.260 181 H ARG 22 H ARG 22 -20.214 6.058 -16.388 182 HA ARG 22 HA ARG 22 -19.095 8.037 -18.272 183 HB2 ARG 22 1HB ARG 22 -19.894 5.151 -18.678 184 HB3 ARG 22 2HB ARG 22 -19.454 6.238 -19.987 185 HG2 ARG 22 1HG ARG 22 -17.235 6.259 -19.409 186 HG3 ARG 22 2HG ARG 22 -17.562 5.870 -17.718 187 HD2 ARG 22 1HD ARG 22 -18.021 3.937 -19.982 188 HD3 ARG 22 2HD ARG 22 -16.510 4.026 -19.078 189 HE ARG 22 HE ARG 22 -17.757 3.385 -17.095 190 HH11 ARG 22 1HH1 ARG 22 -19.376 2.913 -20.167 191 HH12 ARG 22 2HH1 ARG 22 -20.439 1.684 -19.548 192 HH21 ARG 22 1HH2 ARG 22 -19.169 1.760 -16.293 193 HH22 ARG 22 2HH2 ARG 22 -20.314 1.032 -17.385 194 H ARG 23 H ARG 23 -21.687 7.757 -16.586 195 HA ARG 23 HA ARG 23 -23.690 7.716 -18.693 196 HB2 ARG 23 1HB ARG 23 -23.945 7.867 -15.688 197 HB3 ARG 23 2HB ARG 23 -25.306 7.811 -16.805 198 HG2 ARG 23 1HG ARG 23 -24.556 5.640 -17.620 199 HG3 ARG 23 2HG ARG 23 -23.188 5.694 -16.509 200 HD2 ARG 23 1HD ARG 23 -24.733 5.738 -14.616 201 HD3 ARG 23 2HD ARG 23 -26.101 5.681 -15.732 202 HE ARG 23 HE ARG 23 -24.113 3.526 -15.808 203 HH11 ARG 23 1HH1 ARG 23 -27.339 4.616 -15.009 204 HH12 ARG 23 2HH1 ARG 23 -28.002 3.010 -14.916 205 HH21 ARG 23 1HH2 ARG 23 -24.963 1.408 -15.675 206 HH22 ARG 23 2HH2 ARG 23 -26.645 1.183 -15.282 207 H SER 24 H SER 24 -25.276 9.371 -18.889 208 HA SER 24 HA SER 24 -24.116 11.976 -18.906 209 HB2 SER 24 1HB SER 24 -26.981 11.175 -19.471 210 HB3 SER 24 2HB SER 24 -26.185 12.666 -19.974 211 HG SER 24 HG SER 24 -26.357 10.793 -21.527 212 H ARG 25 H ARG 25 -25.273 13.891 -18.000 213 HA ARG 25 HA ARG 25 -25.517 13.659 -15.204 214 HB2 ARG 25 1HB ARG 25 -26.255 15.892 -17.092 215 HB3 ARG 25 2HB ARG 25 -26.351 16.037 -15.342 216 HG2 ARG 25 1HG ARG 25 -23.974 15.675 -15.143 217 HG3 ARG 25 2HG ARG 25 -23.843 15.397 -16.880 218 HD2 ARG 25 1HD ARG 25 -24.495 17.668 -17.342 219 HD3 ARG 25 2HD ARG 25 -24.815 17.963 -15.633 220 HE ARG 25 HE ARG 25 -22.397 17.669 -15.264 221 HH11 ARG 25 1HH1 ARG 25 -23.530 18.439 -18.484 222 HH12 ARG 25 2HH1 ARG 25 -22.016 19.127 -18.990 223 HH21 ARG 25 1HH2 ARG 25 -20.432 18.612 -15.899 224 HH22 ARG 25 2HH2 ARG 25 -20.267 19.276 -17.501 225 H GLN 26 H GLN 26 -27.810 13.258 -17.720 226 HA GLN 26 HA GLN 26 -30.181 13.776 -16.257 227 HB2 GLN 26 1HB GLN 26 -30.035 13.604 -18.749 228 HB3 GLN 26 2HB GLN 26 -29.802 11.869 -18.575 229 HG2 GLN 26 1HG GLN 26 -32.096 12.327 -19.129 230 HG3 GLN 26 2HG GLN 26 -31.999 11.703 -17.482 231 HE21 GLN 26 2HE2 GLN 26 -33.882 12.603 -16.777 232 HE22 GLN 26 1HE2 GLN 26 -34.115 14.310 -16.585 233 H GLN 27 H GLN 27 -27.963 11.137 -16.349 234 HA GLN 27 HA GLN 27 -29.826 9.381 -14.919 235 HB2 GLN 27 1HB GLN 27 -27.155 8.795 -16.216 236 HB3 GLN 27 2HB GLN 27 -28.147 7.610 -15.376 237 HG2 GLN 27 1HG GLN 27 -29.890 7.825 -17.005 238 HG3 GLN 27 2HG GLN 27 -29.043 9.156 -17.792 239 HE21 GLN 27 2HE2 GLN 27 -29.931 6.591 -18.869 240 HE22 GLN 27 1HE2 GLN 27 -28.506 5.833 -19.506 241 H GLU 28 H GLU 28 -29.761 9.651 -12.798 242 HA GLU 28 HA GLU 28 -27.351 10.594 -11.480 243 HB2 GLU 28 1HB GLU 28 -29.927 11.167 -11.045 244 HB3 GLU 28 2HB GLU 28 -29.801 9.783 -9.973 245 HG2 GLU 28 1HG GLU 28 -27.918 12.114 -9.821 246 HG3 GLU 28 2HG GLU 28 -29.451 12.074 -8.955 247 H VAL 29 H VAL 29 -26.164 9.396 -9.975 248 HA VAL 29 HA VAL 29 -26.220 6.551 -10.494 249 HB VAL 29 HB VAL 29 -24.067 7.691 -10.506 250 HG11 VAL 29 1HG1 VAL 29 -23.057 8.553 -8.449 251 HG12 VAL 29 2HG1 VAL 29 -24.568 8.259 -7.589 252 HG13 VAL 29 3HG1 VAL 29 -24.512 9.448 -8.891 253 HG21 VAL 29 3HG2 VAL 29 -22.824 6.182 -9.020 254 HG22 VAL 29 1HG2 VAL 29 -24.091 5.341 -9.913 255 HG23 VAL 29 2HG2 VAL 29 -24.331 5.750 -8.214 256 H SER 30 H SER 30 -26.862 8.734 -7.833 257 HA SER 30 HA SER 30 -27.792 8.473 -5.793 258 HB2 SER 30 1HB SER 30 -28.996 5.981 -7.013 259 HB3 SER 30 2HB SER 30 -29.575 6.820 -5.571 260 HG SER 30 HG SER 30 -29.460 8.693 -7.338 261 HA PRO 31 HA PRO 31 -24.532 5.568 -4.323 262 HB2 PRO 31 1HB PRO 31 -23.976 7.741 -2.443 263 HB3 PRO 31 2HB PRO 31 -22.892 6.962 -3.599 264 HG2 PRO 31 1HG PRO 31 -23.758 9.500 -3.914 265 HG3 PRO 31 2HG PRO 31 -23.424 8.430 -5.288 266 HD2 PRO 31 1HD PRO 31 -26.052 9.162 -4.052 267 HD3 PRO 31 2HD PRO 31 -25.621 9.000 -5.768 268 H ALA 32 H ALA 32 -25.021 4.111 -2.816 269 HA ALA 32 HA ALA 32 -26.539 4.946 -0.453 270 HB1 ALA 32 3HB ALA 32 -28.035 3.033 -0.652 271 HB2 ALA 32 1HB ALA 32 -27.261 2.572 -2.168 272 HB3 ALA 32 2HB ALA 32 -28.168 4.081 -2.065 273 H GLY 33 H GLY 33 -24.563 4.763 0.627 274 HA2 GLY 33 1HA GLY 33 -23.464 3.382 2.236 275 HA3 GLY 33 2HA GLY 33 -23.769 1.992 1.199 276 H THR 34 H THR 34 -22.082 5.112 1.162 277 HA THR 34 HA THR 34 -20.020 3.865 -0.532 278 HB THR 34 HB THR 34 -20.598 6.817 -0.205 279 HG1 THR 34 HG1 THR 34 -22.069 5.101 -1.440 280 HG21 THR 34 3HG2 THR 34 -18.293 6.319 -0.878 281 HG22 THR 34 1HG2 THR 34 -19.193 7.052 -2.206 282 HG23 THR 34 2HG2 THR 34 -18.890 5.315 -2.198 283 H SER 35 H SER 35 -18.545 3.087 0.847 284 HA SER 35 HA SER 35 -17.704 4.437 3.215 285 HB2 SER 35 1HB SER 35 -16.185 2.285 1.730 286 HB3 SER 35 2HB SER 35 -16.145 2.646 3.458 287 HG SER 35 HG SER 35 -18.309 1.926 3.600 288 H MET 36 H MET 36 -16.031 5.844 3.482 289 HA MET 36 HA MET 36 -15.081 7.285 1.258 290 HB2 MET 36 1HB MET 36 -14.167 7.224 4.132 291 HB3 MET 36 2HB MET 36 -13.494 8.321 2.935 292 HG2 MET 36 1HG MET 36 -16.400 8.192 3.702 293 HG3 MET 36 2HG MET 36 -15.235 9.349 4.346 294 HE1 MET 36 3HE MET 36 -14.281 11.398 1.144 295 HE2 MET 36 1HE MET 36 -13.457 9.977 1.787 296 HE3 MET 36 2HE MET 36 -14.050 11.225 2.885 297 H ARG 37 H ARG 37 -13.517 6.861 -0.107 298 HA ARG 37 HA ARG 37 -11.797 4.573 0.436 299 HB2 ARG 37 1HB ARG 37 -12.191 6.087 -2.153 300 HB3 ARG 37 2HB ARG 37 -11.355 4.552 -1.954 301 HG2 ARG 37 1HG ARG 37 -14.286 5.029 -1.457 302 HG3 ARG 37 2HG ARG 37 -13.590 4.255 -2.882 303 HD2 ARG 37 1HD ARG 37 -12.885 2.382 -1.654 304 HD3 ARG 37 2HD ARG 37 -13.081 3.217 -0.112 305 HE ARG 37 HE ARG 37 -15.576 3.218 -0.916 306 HH11 ARG 37 1HH1 ARG 37 -13.238 0.619 -1.198 307 HH12 ARG 37 2HH1 ARG 37 -14.434 -0.636 -1.028 308 HH21 ARG 37 1HH2 ARG 37 -17.144 1.563 -0.704 309 HH22 ARG 37 2HH2 ARG 37 -16.638 -0.101 -0.740 310 H TYR 38 H TYR 38 -9.860 4.898 1.200 311 HA TYR 38 HA TYR 38 -8.409 7.350 0.448 312 HB2 TYR 38 1HB TYR 38 -7.750 5.500 2.750 313 HB3 TYR 38 2HB TYR 38 -7.111 7.112 2.453 314 HD1 TYR 38 HD1 TYR 38 -8.953 9.025 2.406 315 HD2 TYR 38 HD2 TYR 38 -9.421 5.250 4.311 316 HE1 TYR 38 HE1 TYR 38 -10.702 9.976 3.850 317 HE2 TYR 38 HE2 TYR 38 -11.170 6.189 5.757 318 HH TYR 38 HH TYR 38 -11.783 8.514 6.633 319 H GLU 39 H GLU 39 -6.594 7.072 -0.781 320 HA GLU 39 HA GLU 39 -5.905 4.291 -1.411 321 HB2 GLU 39 1HB GLU 39 -5.279 6.822 -2.936 322 HB3 GLU 39 2HB GLU 39 -4.832 5.199 -3.432 323 HG2 GLU 39 1HG GLU 39 -7.293 4.665 -3.479 324 HG3 GLU 39 2HG GLU 39 -7.578 6.396 -3.282 325 H ALA 40 H ALA 40 -3.782 3.601 -1.395 326 HA ALA 40 HA ALA 40 -1.880 5.425 -0.076 327 HB1 ALA 40 3HB ALA 40 -2.540 3.589 1.400 328 HB2 ALA 40 1HB ALA 40 -0.840 3.460 0.946 329 HB3 ALA 40 2HB ALA 40 -2.040 2.421 0.177 330 H SER 41 H SER 41 -0.014 5.791 -1.103 331 HA SER 41 HA SER 41 0.415 4.406 -3.638 332 HB2 SER 41 1HB SER 41 0.459 6.942 -3.444 333 HB3 SER 41 2HB SER 41 1.959 6.766 -2.535 334 HG SER 41 HG SER 41 2.941 6.609 -4.378 335 H PHE 42 H PHE 42 1.779 2.771 -3.749 336 HA PHE 42 HA PHE 42 3.782 2.452 -1.626 337 HB2 PHE 42 1HB PHE 42 2.668 0.444 -3.603 338 HB3 PHE 42 2HB PHE 42 3.918 0.092 -2.413 339 HD1 PHE 42 HD2 PHE 42 0.361 0.787 -2.928 340 HD2 PHE 42 HD1 PHE 42 3.386 -0.115 -0.071 341 HE1 PHE 42 HE2 PHE 42 -1.372 0.247 -1.268 342 HE2 PHE 42 HE1 PHE 42 1.656 -0.655 1.592 343 HZ PHE 42 HZ PHE 42 -0.725 -0.475 0.995 344 H LYS 43 H LYS 43 5.675 3.190 -2.089 345 HA LYS 43 HA LYS 43 6.511 3.472 -4.873 346 HB2 LYS 43 1HB LYS 43 6.600 5.376 -3.183 347 HB3 LYS 43 2HB LYS 43 7.905 4.498 -2.398 348 HG2 LYS 43 1HG LYS 43 9.198 4.608 -4.494 349 HG3 LYS 43 2HG LYS 43 7.903 5.573 -5.209 350 HD2 LYS 43 1HD LYS 43 8.222 7.174 -3.269 351 HD3 LYS 43 2HD LYS 43 9.705 6.286 -2.908 352 HE2 LYS 43 1HE LYS 43 10.328 8.148 -4.236 353 HE3 LYS 43 2HE LYS 43 10.418 6.727 -5.277 354 HZ1 LYS 43 3HZ LYS 43 8.079 7.358 -5.992 355 HZ2 LYS 43 1HZ LYS 43 9.334 8.352 -6.540 356 HZ3 LYS 43 2HZ LYS 43 8.354 8.852 -5.249 357 HA PRO 44 HA PRO 44 9.027 -0.192 -4.193 358 HB2 PRO 44 1HB PRO 44 9.963 -0.333 -6.744 359 HB3 PRO 44 2HB PRO 44 8.367 -0.926 -6.268 360 HG2 PRO 44 1HG PRO 44 9.118 1.639 -7.607 361 HG3 PRO 44 2HG PRO 44 7.732 0.576 -7.914 362 HD2 PRO 44 1HD PRO 44 7.559 2.876 -6.467 363 HD3 PRO 44 2HD PRO 44 6.506 1.474 -6.195 364 H LEU 45 H LEU 45 11.133 -0.387 -3.632 365 HA LEU 45 HA LEU 45 12.867 1.874 -3.740 366 HB2 LEU 45 1HB LEU 45 13.428 -1.002 -3.005 367 HB3 LEU 45 2HB LEU 45 14.550 0.327 -2.773 368 HG LEU 45 HG LEU 45 11.833 0.150 -1.467 369 HD11 LEU 45 1HD1 LEU 45 13.290 -1.615 -0.647 370 HD12 LEU 45 2HD1 LEU 45 13.048 -0.374 0.582 371 HD13 LEU 45 3HD1 LEU 45 14.560 -0.434 -0.325 372 HD21 LEU 45 3HD2 LEU 45 14.167 2.004 -0.999 373 HD22 LEU 45 1HD2 LEU 45 12.672 1.968 -0.062 374 HD23 LEU 45 2HD2 LEU 45 12.637 2.432 -1.764 375 H ASN 46 H ASN 46 12.135 -0.672 -5.847 376 HA ASN 46 HA ASN 46 14.452 -0.126 -7.532 377 HB2 ASN 46 1HB ASN 46 13.651 -2.469 -7.374 378 HB3 ASN 46 2HB ASN 46 12.088 -1.967 -8.012 379 HD21 ASN 46 2HD2 ASN 46 11.898 -1.448 -10.186 380 HD22 ASN 46 1HD2 ASN 46 13.124 -1.838 -11.345 381 H GLY 47 H GLY 47 14.330 1.729 -8.546 382 HA2 GLY 47 1HA GLY 47 12.353 3.510 -8.825 383 HA3 GLY 47 2HA GLY 47 13.599 3.331 -10.044 384 H GLY 48 H GLY 48 10.442 3.654 -9.679 385 HA2 GLY 48 1HA GLY 48 9.727 2.927 -12.286 386 HA3 GLY 48 2HA GLY 48 9.232 1.633 -11.200 387 H LEU 49 H LEU 49 7.017 2.158 -11.777 388 HA LEU 49 HA LEU 49 6.044 4.743 -10.877 389 HB2 LEU 49 1HB LEU 49 4.684 2.410 -12.203 390 HB3 LEU 49 2HB LEU 49 3.807 3.811 -11.618 391 HG LEU 49 HG LEU 49 5.891 3.768 -13.798 392 HD11 LEU 49 1HD1 LEU 49 2.938 4.379 -13.826 393 HD12 LEU 49 2HD1 LEU 49 3.708 2.927 -14.467 394 HD13 LEU 49 3HD1 LEU 49 4.030 4.495 -15.207 395 HD21 LEU 49 3HD2 LEU 49 5.428 6.158 -14.047 396 HD22 LEU 49 1HD2 LEU 49 6.122 5.795 -12.467 397 HD23 LEU 49 2HD2 LEU 49 4.393 6.106 -12.620 398 H GLU 50 H GLU 50 5.024 5.144 -9.060 399 HA GLU 50 HA GLU 50 4.857 3.238 -6.966 400 HB2 GLU 50 1HB GLU 50 3.623 5.982 -7.271 401 HB3 GLU 50 2HB GLU 50 3.597 5.041 -5.785 402 HG2 GLU 50 1HG GLU 50 5.987 5.126 -5.625 403 HG3 GLU 50 2HG GLU 50 6.100 5.917 -7.196 404 H LYS 51 H LYS 51 3.222 1.929 -6.389 405 HA LYS 51 HA LYS 51 0.946 1.869 -8.225 406 HB2 LYS 51 1HB LYS 51 2.025 -0.230 -6.337 407 HB3 LYS 51 2HB LYS 51 0.611 -0.444 -7.367 408 HG2 LYS 51 1HG LYS 51 1.979 -0.128 -9.350 409 HG3 LYS 51 2HG LYS 51 3.398 0.154 -8.344 410 HD2 LYS 51 1HD LYS 51 3.252 -2.121 -7.481 411 HD3 LYS 51 2HD LYS 51 1.802 -2.404 -8.449 412 HE2 LYS 51 1HE LYS 51 3.771 -3.345 -9.539 413 HE3 LYS 51 2HE LYS 51 3.088 -2.031 -10.494 414 HZ1 LYS 51 3HZ LYS 51 5.503 -1.921 -8.769 415 HZ2 LYS 51 1HZ LYS 51 4.798 -0.559 -9.494 416 HZ3 LYS 51 2HZ LYS 51 5.446 -1.791 -10.457 417 H THR 52 H THR 52 -0.786 2.870 -7.600 418 HA THR 52 HA THR 52 -1.305 3.366 -4.785 419 HB THR 52 HB THR 52 -2.898 4.305 -7.177 420 HG1 THR 52 HG1 THR 52 -0.427 5.079 -6.261 421 HG21 THR 52 3HG2 THR 52 -2.678 5.371 -4.362 422 HG22 THR 52 1HG2 THR 52 -4.049 4.482 -5.028 423 HG23 THR 52 2HG2 THR 52 -3.641 6.077 -5.662 424 H PHE 53 H PHE 53 -2.576 2.046 -3.639 425 HA PHE 53 HA PHE 53 -4.695 0.568 -5.058 426 HB2 PHE 53 1HB PHE 53 -3.228 -0.156 -2.512 427 HB3 PHE 53 2HB PHE 53 -4.609 -1.042 -3.147 428 HD1 PHE 53 HD2 PHE 53 -4.363 -1.904 -5.597 429 HD2 PHE 53 HD1 PHE 53 -1.098 -0.813 -3.099 430 HE1 PHE 53 HE2 PHE 53 -2.852 -3.268 -6.981 431 HE2 PHE 53 HE1 PHE 53 0.419 -2.170 -4.477 432 HZ PHE 53 HZ PHE 53 -0.457 -3.402 -6.421 433 H ARG 54 H ARG 54 -6.763 0.520 -4.169 434 HA ARG 54 HA ARG 54 -7.380 2.829 -2.528 435 HB2 ARG 54 1HB ARG 54 -9.091 0.893 -4.075 436 HB3 ARG 54 2HB ARG 54 -9.778 2.104 -3.002 437 HG2 ARG 54 1HG ARG 54 -8.582 3.844 -4.330 438 HG3 ARG 54 2HG ARG 54 -8.125 2.575 -5.467 439 HD2 ARG 54 1HD ARG 54 -10.979 3.116 -4.701 440 HD3 ARG 54 2HD ARG 54 -10.185 3.946 -6.037 441 HE ARG 54 HE ARG 54 -9.921 1.782 -7.113 442 HH11 ARG 54 1HH1 ARG 54 -12.117 1.877 -4.390 443 HH12 ARG 54 2HH1 ARG 54 -13.082 0.545 -4.950 444 HH21 ARG 54 1HH2 ARG 54 -11.183 0.064 -7.876 445 HH22 ARG 54 2HH2 ARG 54 -12.579 -0.458 -6.970 446 H LEU 55 H LEU 55 -7.787 2.784 -0.463 447 HA LEU 55 HA LEU 55 -8.324 0.197 0.850 448 HB2 LEU 55 1HB LEU 55 -6.771 2.592 1.846 449 HB3 LEU 55 2HB LEU 55 -7.167 1.188 2.825 450 HG LEU 55 HG LEU 55 -5.440 1.119 0.346 451 HD11 LEU 55 1HD1 LEU 55 -3.576 0.819 1.895 452 HD12 LEU 55 2HD1 LEU 55 -4.671 1.046 3.259 453 HD13 LEU 55 3HD1 LEU 55 -4.372 2.374 2.138 454 HD21 LEU 55 3HD2 LEU 55 -4.851 -1.131 1.133 455 HD22 LEU 55 1HD2 LEU 55 -6.572 -0.992 0.769 456 HD23 LEU 55 2HD2 LEU 55 -6.021 -0.970 2.445 457 H GLN 56 H GLN 56 -9.582 0.347 2.841 458 HA GLN 56 HA GLN 56 -11.447 2.613 2.836 459 HB2 GLN 56 1HB GLN 56 -11.650 -0.048 4.265 460 HB3 GLN 56 2HB GLN 56 -12.879 1.209 4.259 461 HG2 GLN 56 1HG GLN 56 -13.034 0.956 1.791 462 HG3 GLN 56 2HG GLN 56 -11.931 -0.413 1.911 463 HE21 GLN 56 2HE2 GLN 56 -13.102 -1.257 4.481 464 HE22 GLN 56 1HE2 GLN 56 -14.619 -1.994 4.087 465 H ALA 57 H ALA 57 -12.288 2.937 5.295 466 HA ALA 57 HA ALA 57 -10.349 4.449 6.543 467 HB1 ALA 57 3HB ALA 57 -12.750 4.672 6.960 468 HB2 ALA 57 1HB ALA 57 -11.830 4.560 8.461 469 HB3 ALA 57 2HB ALA 57 -12.728 3.162 7.870 470 H GLN 58 H GLN 58 -11.503 1.270 7.711 471 HA GLN 58 HA GLN 58 -9.653 1.088 9.816 472 HB2 GLN 58 1HB GLN 58 -11.061 -1.146 8.351 473 HB3 GLN 58 2HB GLN 58 -10.239 -1.305 9.895 474 HG2 GLN 58 1HG GLN 58 -11.824 0.335 10.854 475 HG3 GLN 58 2HG GLN 58 -12.687 0.341 9.317 476 HE21 GLN 58 2HE2 GLN 58 -12.140 -2.543 8.927 477 HE22 GLN 58 1HE2 GLN 58 -13.262 -3.362 9.964 478 H GLN 59 H GLN 59 -9.378 0.306 6.445 479 HA GLN 59 HA GLN 59 -7.099 -1.414 6.746 480 HB2 GLN 59 1HB GLN 59 -8.316 -0.112 4.307 481 HB3 GLN 59 2HB GLN 59 -7.000 -1.278 4.261 482 HG2 GLN 59 1HG GLN 59 -8.427 -2.971 5.239 483 HG3 GLN 59 2HG GLN 59 -9.743 -1.807 5.377 484 HE21 GLN 59 2HE2 GLN 59 -9.581 -4.352 3.940 485 HE22 GLN 59 1HE2 GLN 59 -9.954 -3.983 2.289 486 H TYR 60 H TYR 60 -7.639 1.924 5.660 487 HA TYR 60 HA TYR 60 -4.914 2.486 5.142 488 HB2 TYR 60 1HB TYR 60 -6.768 3.853 4.243 489 HB3 TYR 60 2HB TYR 60 -7.143 4.402 5.873 490 HD1 TYR 60 HD2 TYR 60 -4.456 4.411 3.304 491 HD2 TYR 60 HD1 TYR 60 -6.074 6.286 6.763 492 HE1 TYR 60 HE2 TYR 60 -2.857 6.260 3.042 493 HE2 TYR 60 HE1 TYR 60 -4.478 8.140 6.513 494 HH TYR 60 HH TYR 60 -2.255 8.525 5.461 495 H HIS 61 H HIS 61 -6.882 2.518 8.005 496 HA HIS 61 HA HIS 61 -5.127 3.943 9.704 497 HB2 HIS 61 1HB HIS 61 -7.489 3.541 10.261 498 HB3 HIS 61 2HB HIS 61 -7.174 1.814 10.381 499 HD1 HIS 61 HD1 HIS 61 -6.705 0.983 12.666 500 HD2 HIS 61 HD2 HIS 61 -5.919 5.053 12.294 501 HE1 HIS 61 HE1 HIS 61 -6.090 1.774 14.978 502 HE2 HIS 61 HE2 HIS 61 -5.587 4.238 14.728 503 H ALA 62 H ALA 62 -4.990 0.805 8.355 504 HA ALA 62 HA ALA 62 -3.045 -0.114 10.352 505 HB1 ALA 62 3HB ALA 62 -4.882 -1.646 9.828 506 HB2 ALA 62 1HB ALA 62 -3.324 -2.325 9.353 507 HB3 ALA 62 2HB ALA 62 -4.401 -1.646 8.132 508 H LEU 63 H LEU 63 -2.969 1.691 7.695 509 HA LEU 63 HA LEU 63 -0.511 0.476 6.632 510 HB2 LEU 63 1HB LEU 63 -2.744 1.908 5.389 511 HB3 LEU 63 2HB LEU 63 -1.172 2.495 4.887 512 HG LEU 63 HG LEU 63 -2.057 0.796 3.351 513 HD11 LEU 63 1HD1 LEU 63 0.362 -0.102 4.909 514 HD12 LEU 63 2HD1 LEU 63 0.349 1.059 3.582 515 HD13 LEU 63 3HD1 LEU 63 -0.071 -0.628 3.282 516 HD21 LEU 63 3HD2 LEU 63 -3.351 -0.518 4.952 517 HD22 LEU 63 1HD2 LEU 63 -1.858 -1.067 5.715 518 HD23 LEU 63 2HD2 LEU 63 -2.224 -1.535 4.054 519 H THR 64 H THR 64 1.152 1.288 7.729 520 HA THR 64 HA THR 64 1.123 3.985 8.739 521 HB THR 64 HB THR 64 3.413 2.008 8.747 522 HG1 THR 64 HG1 THR 64 1.058 1.853 9.983 523 HG21 THR 64 3HG2 THR 64 4.174 3.297 10.695 524 HG22 THR 64 1HG2 THR 64 2.812 4.401 10.496 525 HG23 THR 64 2HG2 THR 64 4.066 4.313 9.258 526 H VAL 65 H VAL 65 1.354 5.555 7.249 527 HA VAL 65 HA VAL 65 2.896 5.385 4.898 528 HB VAL 65 HB VAL 65 1.854 7.764 6.437 529 HG11 VAL 65 1HG1 VAL 65 3.255 7.772 3.763 530 HG12 VAL 65 2HG1 VAL 65 3.877 8.467 5.260 531 HG13 VAL 65 3HG1 VAL 65 2.437 9.148 4.502 532 HG21 VAL 65 3HG2 VAL 65 1.063 6.536 3.800 533 HG22 VAL 65 1HG2 VAL 65 0.296 7.924 4.570 534 HG23 VAL 65 2HG2 VAL 65 0.204 6.334 5.329 535 H GLY 66 H GLY 66 4.987 5.581 4.535 536 HA2 GLY 66 1HA GLY 66 7.164 6.451 4.901 537 HA3 GLY 66 2HA GLY 66 6.719 6.798 6.568 538 H ASP 67 H ASP 67 5.442 3.966 6.484 539 HA ASP 67 HA ASP 67 7.748 2.705 7.653 540 HB2 ASP 67 1HB ASP 67 5.389 2.442 8.530 541 HB3 ASP 67 2HB ASP 67 5.061 1.427 7.129 542 H GLN 68 H GLN 68 9.198 2.391 6.047 543 HA GLN 68 HA GLN 68 8.710 1.003 3.632 544 HB2 GLN 68 1HB GLN 68 11.297 0.960 5.188 545 HB3 GLN 68 2HB GLN 68 11.083 0.825 3.448 546 HG2 GLN 68 1HG GLN 68 10.412 3.136 3.308 547 HG3 GLN 68 2HG GLN 68 10.474 3.290 5.063 548 HE21 GLN 68 2HE2 GLN 68 11.919 4.780 3.021 549 HE22 GLN 68 1HE2 GLN 68 13.602 4.565 3.373 550 H GLY 69 H GLY 69 8.038 -1.079 3.462 551 HA2 GLY 69 1HA GLY 69 9.102 -3.121 5.207 552 HA3 GLY 69 2HA GLY 69 7.438 -2.688 5.562 553 H THR 70 H THR 70 7.150 -5.012 5.061 554 HA THR 70 HA THR 70 7.719 -5.862 2.357 555 HB THR 70 HB THR 70 6.343 -7.394 4.573 556 HG1 THR 70 HG1 THR 70 8.570 -8.362 4.657 557 HG21 THR 70 3HG2 THR 70 5.979 -8.348 2.352 558 HG22 THR 70 1HG2 THR 70 7.053 -9.373 3.302 559 HG23 THR 70 2HG2 THR 70 7.716 -8.325 2.047 560 H LEU 71 H LEU 71 6.335 -5.899 0.715 561 HA LEU 71 HA LEU 71 3.459 -5.622 1.303 562 HB2 LEU 71 1HB LEU 71 4.329 -3.654 0.163 563 HB3 LEU 71 2HB LEU 71 5.032 -4.658 -1.090 564 HG LEU 71 HG LEU 71 2.748 -5.353 -1.771 565 HD11 LEU 71 1HD1 LEU 71 1.869 -3.272 0.222 566 HD12 LEU 71 2HD1 LEU 71 1.606 -5.012 0.347 567 HD13 LEU 71 3HD1 LEU 71 0.829 -4.091 -0.942 568 HD21 LEU 71 3HD2 LEU 71 3.241 -2.378 -1.750 569 HD22 LEU 71 1HD2 LEU 71 2.150 -3.237 -2.838 570 HD23 LEU 71 2HD2 LEU 71 3.888 -3.530 -2.918 571 H SER 72 H SER 72 2.231 -7.265 0.726 572 HA SER 72 HA SER 72 3.293 -9.218 -1.201 573 HB2 SER 72 1HB SER 72 1.108 -9.598 0.866 574 HB3 SER 72 2HB SER 72 1.839 -10.851 -0.138 575 HG SER 72 HG SER 72 3.566 -9.323 1.407 576 H TYR 73 H TYR 73 2.361 -9.249 -3.144 577 HA TYR 73 HA TYR 73 -0.467 -8.654 -3.397 578 HB2 TYR 73 1HB TYR 73 -0.105 -6.997 -5.210 579 HB3 TYR 73 2HB TYR 73 0.458 -6.436 -3.643 580 HD1 TYR 73 HD1 TYR 73 2.947 -6.467 -3.170 581 HD2 TYR 73 HD2 TYR 73 1.349 -7.094 -7.064 582 HE1 TYR 73 HE1 TYR 73 5.131 -5.910 -4.148 583 HE2 TYR 73 HE2 TYR 73 3.534 -6.544 -8.053 584 HH TYR 73 HH TYR 73 6.372 -6.406 -6.293 585 H LYS 74 H LYS 74 -1.423 -9.579 -5.146 586 HA LYS 74 HA LYS 74 0.317 -11.314 -6.771 587 HB2 LYS 74 1HB LYS 74 -1.182 -12.483 -5.108 588 HB3 LYS 74 2HB LYS 74 -2.559 -11.856 -6.004 589 HG2 LYS 74 1HG LYS 74 -1.961 -13.120 -7.942 590 HG3 LYS 74 2HG LYS 74 -0.430 -13.606 -7.210 591 HD2 LYS 74 1HD LYS 74 -3.175 -14.348 -6.196 592 HD3 LYS 74 2HD LYS 74 -2.095 -15.408 -7.104 593 HE2 LYS 74 1HE LYS 74 -0.433 -15.242 -5.318 594 HE3 LYS 74 2HE LYS 74 -1.503 -14.175 -4.413 595 HZ1 LYS 74 3HZ LYS 74 -1.913 -17.048 -5.033 596 HZ2 LYS 74 1HZ LYS 74 -3.140 -16.047 -4.421 597 HZ3 LYS 74 2HZ LYS 74 -1.741 -16.321 -3.513 598 H GLY 75 H GLY 75 0.499 -10.354 -8.691 599 HA2 GLY 75 1HA GLY 75 -0.129 -9.449 -10.719 600 HA3 GLY 75 2HA GLY 75 -1.804 -9.782 -10.294 601 H THR 76 H THR 76 -3.042 -8.059 -10.018 602 HA THR 76 HA THR 76 -1.767 -5.553 -9.158 603 HB THR 76 HB THR 76 -3.815 -4.454 -10.190 604 HG1 THR 76 HG1 THR 76 -5.253 -5.689 -11.130 605 HG21 THR 76 3HG2 THR 76 -1.626 -4.397 -11.271 606 HG22 THR 76 1HG2 THR 76 -2.907 -4.564 -12.470 607 HG23 THR 76 2HG2 THR 76 -1.940 -5.966 -12.013 608 H ARG 77 H ARG 77 -3.141 -7.958 -7.729 609 HA ARG 77 HA ARG 77 -5.204 -6.442 -6.303 610 HB2 ARG 77 1HB ARG 77 -5.988 -8.553 -7.182 611 HB3 ARG 77 2HB ARG 77 -4.664 -9.411 -6.405 612 HG2 ARG 77 1HG ARG 77 -5.562 -9.000 -4.241 613 HG3 ARG 77 2HG ARG 77 -6.765 -7.884 -4.888 614 HD2 ARG 77 1HD ARG 77 -6.620 -10.808 -5.600 615 HD3 ARG 77 2HD ARG 77 -7.645 -10.153 -4.323 616 HE ARG 77 HE ARG 77 -8.626 -8.735 -6.206 617 HH11 ARG 77 1HH1 ARG 77 -7.296 -11.941 -6.711 618 HH12 ARG 77 2HH1 ARG 77 -8.374 -12.315 -8.029 619 HH21 ARG 77 1HH2 ARG 77 -10.037 -9.218 -7.916 620 HH22 ARG 77 2HH2 ARG 77 -9.945 -10.761 -8.715 621 H PHE 78 H PHE 78 -4.861 -5.702 -4.372 622 HA PHE 78 HA PHE 78 -2.412 -6.047 -2.981 623 HB2 PHE 78 1HB PHE 78 -3.707 -3.970 -2.869 624 HB3 PHE 78 2HB PHE 78 -5.046 -4.825 -2.117 625 HD1 PHE 78 HD2 PHE 78 -1.581 -3.663 -1.618 626 HD2 PHE 78 HD1 PHE 78 -5.093 -5.221 0.211 627 HE1 PHE 78 HE2 PHE 78 -0.657 -3.141 0.602 628 HE2 PHE 78 HE1 PHE 78 -4.175 -4.700 2.432 629 HZ PHE 78 HZ PHE 78 -1.953 -3.660 2.630 630 H VAL 79 H VAL 79 -1.865 -7.770 -1.822 631 HA VAL 79 HA VAL 79 -3.937 -9.515 -0.741 632 HB VAL 79 HB VAL 79 -0.931 -9.866 -0.791 633 HG11 VAL 79 1HG1 VAL 79 -1.945 -11.060 1.081 634 HG12 VAL 79 2HG1 VAL 79 -1.374 -12.184 -0.152 635 HG13 VAL 79 3HG1 VAL 79 -3.095 -11.821 -0.017 636 HG21 VAL 79 3HG2 VAL 79 -3.098 -11.110 -2.480 637 HG22 VAL 79 1HG2 VAL 79 -1.388 -11.543 -2.526 638 HG23 VAL 79 2HG2 VAL 79 -1.904 -9.929 -3.016 639 H GLY 80 H GLY 80 -1.042 -7.791 0.413 640 HA2 GLY 80 1HA GLY 80 -2.258 -6.753 2.700 641 HA3 GLY 80 2HA GLY 80 -1.506 -8.275 3.156 642 H PHE 81 H PHE 81 -0.863 -5.535 3.980 643 HA PHE 81 HA PHE 81 1.925 -5.458 3.043 644 HB2 PHE 81 1HB PHE 81 0.665 -3.435 2.394 645 HB3 PHE 81 2HB PHE 81 0.250 -3.156 4.082 646 HD1 PHE 81 HD1 PHE 81 3.045 -3.270 1.674 647 HD2 PHE 81 HD2 PHE 81 1.756 -2.085 5.551 648 HE1 PHE 81 HE1 PHE 81 5.116 -1.979 1.963 649 HE2 PHE 81 HE2 PHE 81 3.823 -0.790 5.846 650 HZ PHE 81 HZ PHE 81 5.509 -0.736 4.051 651 H VAL 82 H VAL 82 3.407 -5.901 4.518 652 HA VAL 82 HA VAL 82 2.557 -6.071 7.323 653 HB VAL 82 HB VAL 82 5.024 -7.262 6.038 654 HG11 VAL 82 1HG1 VAL 82 3.779 -7.732 8.745 655 HG12 VAL 82 2HG1 VAL 82 5.279 -6.862 8.426 656 HG13 VAL 82 3HG1 VAL 82 5.174 -8.591 8.090 657 HG21 VAL 82 3HG2 VAL 82 3.848 -9.412 6.186 658 HG22 VAL 82 1HG2 VAL 82 3.019 -8.282 5.115 659 HG23 VAL 82 2HG2 VAL 82 2.400 -8.574 6.741 660 H SER 83 H SER 83 2.815 -4.031 8.063 661 HA SER 83 HA SER 83 5.092 -2.418 7.545 662 HB2 SER 83 1HB SER 83 3.024 -2.235 9.754 663 HB3 SER 83 2HB SER 83 4.185 -0.975 9.336 664 HG SER 83 HG SER 83 3.217 -1.028 7.195 665 H ARG 84 H ARG 84 6.777 -1.866 8.952 666 HA ARG 84 HA ARG 84 8.004 -4.013 10.286 667 HB2 ARG 84 1HB ARG 84 8.529 -1.067 10.694 668 HB3 ARG 84 2HB ARG 84 9.625 -2.386 11.088 669 HG2 ARG 84 1HG ARG 84 8.672 -1.658 8.341 670 HG3 ARG 84 2HG ARG 84 10.250 -1.265 9.026 671 HD2 ARG 84 1HD ARG 84 10.776 -3.625 9.225 672 HD3 ARG 84 2HD ARG 84 9.171 -4.052 8.630 673 HE ARG 84 HE ARG 84 10.518 -2.383 6.776 674 HH11 ARG 84 1HH1 ARG 84 10.407 -5.681 7.963 675 HH12 ARG 84 2HH1 ARG 84 11.002 -6.369 6.483 676 HH21 ARG 84 1HH2 ARG 84 11.319 -3.290 4.836 677 HH22 ARG 84 2HH2 ARG 84 11.525 -5.010 4.711 678 H THR 85 H THR 85 6.964 -4.954 11.940 679 HA THR 85 HA THR 85 5.474 -3.454 13.834 680 HB THR 85 HB THR 85 6.385 -6.332 14.036 681 HG1 THR 85 HG1 THR 85 4.877 -5.309 12.201 682 HG21 THR 85 3HG2 THR 85 5.563 -5.409 16.154 683 HG22 THR 85 1HG2 THR 85 4.430 -6.593 15.499 684 HG23 THR 85 2HG2 THR 85 4.088 -4.869 15.351 685 HA PRO 86 HA PRO 86 9.150 -2.589 16.202 686 HB2 PRO 86 1HB PRO 86 8.193 -0.423 17.472 687 HB3 PRO 86 2HB PRO 86 8.650 -0.383 15.766 688 HG2 PRO 86 1HG PRO 86 5.962 -0.395 16.999 689 HG3 PRO 86 2HG PRO 86 6.484 0.267 15.443 690 HD2 PRO 86 1HD PRO 86 5.175 -2.215 15.919 691 HD3 PRO 86 2HD PRO 86 5.821 -1.615 14.380 692 H ASP 87 H ASP 87 8.834 -4.591 17.426 693 HA ASP 87 HA ASP 87 7.216 -4.666 19.739 694 HB2 ASP 87 1HB ASP 87 8.282 -6.683 18.674 695 HB3 ASP 87 2HB ASP 87 9.824 -6.147 19.337 696 H ASN 88 H ASN 88 7.513 -3.853 21.714 697 HA ASN 88 HA ASN 88 9.115 -1.564 21.896 698 HB2 ASN 88 1HB ASN 88 7.023 -1.761 23.100 699 HB3 ASN 88 2HB ASN 88 7.660 -3.094 24.058 700 HD21 ASN 88 2HD2 ASN 88 7.871 0.341 23.430 701 HD22 ASN 88 1HD2 ASN 88 8.626 0.758 24.937 702 H GLU 89 H GLU 89 9.880 -4.837 22.663 703 HA GLU 89 HA GLU 89 12.035 -3.999 24.455 704 HB2 GLU 89 1HB GLU 89 11.012 -6.767 23.816 705 HB3 GLU 89 2HB GLU 89 12.241 -6.377 25.014 706 HG2 GLU 89 1HG GLU 89 10.544 -4.962 26.175 707 HG3 GLU 89 2HG GLU 89 9.340 -5.598 25.055 708 H LEU 90 H LEU 90 11.692 -4.396 21.220 709 HA LEU 90 HA LEU 90 14.503 -5.228 20.969 710 HB2 LEU 90 1HB LEU 90 12.191 -6.011 19.213 711 HB3 LEU 90 2HB LEU 90 13.862 -6.166 18.709 712 HG LEU 90 HG LEU 90 12.520 -7.609 20.993 713 HD11 LEU 90 1HD1 LEU 90 12.013 -8.487 18.785 714 HD12 LEU 90 2HD1 LEU 90 13.063 -9.593 19.671 715 HD13 LEU 90 3HD1 LEU 90 13.734 -8.562 18.408 716 HD21 LEU 90 3HD2 LEU 90 14.662 -8.735 21.335 717 HD22 LEU 90 1HD2 LEU 90 14.803 -7.000 21.621 718 HD23 LEU 90 2HD2 LEU 90 15.407 -7.700 20.118 719 H GLU 91 H GLU 91 15.673 -3.632 20.321 720 HA GLU 91 HA GLU 91 14.554 -1.415 18.829 721 HB2 GLU 91 1HB GLU 91 16.172 -0.981 20.621 722 HB3 GLU 91 2HB GLU 91 17.375 -1.954 19.784 723 HG2 GLU 91 1HG GLU 91 17.367 -0.363 17.927 724 HG3 GLU 91 2HG GLU 91 16.171 0.614 18.776 725 H HIS 92 H HIS 92 14.519 -1.312 16.681 726 HA HIS 92 HA HIS 92 15.947 -3.337 15.158 727 HB2 HIS 92 1HB HIS 92 14.032 -1.185 14.231 728 HB3 HIS 92 2HB HIS 92 14.701 -2.455 13.215 729 HD1 HIS 92 HD1 HIS 92 13.940 -4.964 13.876 730 HD2 HIS 92 HD2 HIS 92 11.744 -1.847 15.542 731 HE1 HIS 92 HE1 HIS 92 11.775 -5.988 14.636 732 HE2 HIS 92 HE2 HIS 92 10.379 -4.038 15.395 733 H HIS 93 H HIS 93 18.088 -2.722 15.311 734 HA HIS 93 HA HIS 93 18.891 -0.088 14.362 735 HB2 HIS 93 1HB HIS 93 20.019 -1.255 16.303 736 HB3 HIS 93 2HB HIS 93 20.649 -2.425 15.152 737 HD1 HIS 93 HD1 HIS 93 21.109 1.078 16.362 738 HD2 HIS 93 HD2 HIS 93 22.755 -1.490 13.536 739 HE1 HIS 93 HE1 HIS 93 23.238 2.176 15.606 740 HE2 HIS 93 HE2 HIS 93 24.087 0.718 13.739 741 H HIS 94 H HIS 94 20.122 0.248 12.452 742 HA HIS 94 HA HIS 94 19.913 -1.991 10.535 743 HB2 HIS 94 1HB HIS 94 19.538 0.972 10.087 744 HB3 HIS 94 2HB HIS 94 19.776 -0.168 8.771 745 HD1 HIS 94 HD1 HIS 94 17.747 -1.381 7.929 746 HD2 HIS 94 HD2 HIS 94 17.077 0.572 11.542 747 HE1 HIS 94 HE1 HIS 94 15.275 -1.540 8.339 748 HE2 HIS 94 HE2 HIS 94 14.871 -0.122 10.382 749 H HIS 95 H HIS 95 21.409 -1.678 8.622 750 HA HIS 95 HA HIS 95 24.074 -0.927 9.560 751 HB2 HIS 95 1HB HIS 95 23.095 -2.328 7.067 752 HB3 HIS 95 2HB HIS 95 24.774 -1.850 7.295 753 HD1 HIS 95 HD1 HIS 95 25.969 -3.987 7.687 754 HD2 HIS 95 HD2 HIS 95 22.455 -3.734 9.897 755 HE1 HIS 95 HE1 HIS 95 25.953 -6.016 9.179 756 HE2 HIS 95 HE2 HIS 95 23.718 -5.946 10.341 757 H HIS 96 H HIS 96 21.766 0.855 8.853 758 HA HIS 96 HA HIS 96 23.254 2.706 7.127 759 HB2 HIS 96 1HB HIS 96 21.126 1.541 6.136 760 HB3 HIS 96 2HB HIS 96 20.248 2.652 7.179 761 HD1 HIS 96 HD1 HIS 96 20.096 5.091 6.440 762 HD2 HIS 96 HD2 HIS 96 22.547 2.761 4.013 763 HE1 HIS 96 HE1 HIS 96 20.560 6.487 4.398 764 HE2 HIS 96 HE2 HIS 96 22.002 5.041 2.916 765 H HIS 97 H HIS 97 20.808 2.249 9.636 766 HA HIS 97 HA HIS 97 21.699 4.756 10.890 767 HB2 HIS 97 1HB HIS 97 19.309 4.825 10.518 768 HB3 HIS 97 2HB HIS 97 19.104 3.221 11.209 769 HD1 HIS 97 HD1 HIS 97 20.028 6.749 12.271 770 HD2 HIS 97 HD2 HIS 97 18.627 3.188 13.909 771 HE1 HIS 97 HE1 HIS 97 19.456 7.277 14.665 772 HE2 HIS 97 HE2 HIS 97 18.494 5.145 15.601 Start of MODEL 13 1 H1 MET 1 1H MET 1 8.347 -22.611 -4.985 2 H2 MET 1 2H MET 1 7.431 -23.897 -5.610 3 H3 MET 1 3H MET 1 6.812 -22.945 -4.351 4 HA MET 1 HA MET 1 7.456 -21.921 -7.047 5 HB2 MET 1 1HB MET 1 5.620 -23.520 -7.200 6 HB3 MET 1 2HB MET 1 4.787 -22.724 -5.871 7 HG2 MET 1 1HG MET 1 4.522 -20.718 -7.223 8 HG3 MET 1 2HG MET 1 5.385 -21.490 -8.552 9 HE1 MET 1 3HE MET 1 3.307 -20.823 -10.126 10 HE2 MET 1 1HE MET 1 2.459 -20.127 -8.743 11 HE3 MET 1 2HE MET 1 1.643 -21.294 -9.784 12 H ALA 2 H ALA 2 5.076 -21.336 -4.467 13 HA ALA 2 HA ALA 2 4.417 -19.471 -3.375 14 HB1 ALA 2 3HB ALA 2 7.241 -18.515 -3.827 15 HB2 ALA 2 1HB ALA 2 6.700 -19.523 -2.484 16 HB3 ALA 2 2HB ALA 2 6.093 -17.875 -2.649 17 HA PRO 3 HA PRO 3 3.502 -17.121 -7.222 18 HB2 PRO 3 1HB PRO 3 0.854 -16.855 -6.643 19 HB3 PRO 3 2HB PRO 3 1.526 -18.246 -7.500 20 HG2 PRO 3 1HG PRO 3 0.775 -17.973 -4.621 21 HG3 PRO 3 2HG PRO 3 0.515 -19.337 -5.723 22 HD2 PRO 3 1HD PRO 3 2.511 -19.295 -3.893 23 HD3 PRO 3 2HD PRO 3 2.661 -20.126 -5.454 24 H LEU 4 H LEU 4 2.914 -16.597 -3.827 25 HA LEU 4 HA LEU 4 2.059 -13.886 -4.014 26 HB2 LEU 4 1HB LEU 4 1.903 -15.577 -2.031 27 HB3 LEU 4 2HB LEU 4 3.511 -15.001 -1.649 28 HG LEU 4 HG LEU 4 2.664 -12.731 -1.392 29 HD11 LEU 4 1HD1 LEU 4 0.811 -12.841 -2.978 30 HD12 LEU 4 2HD1 LEU 4 0.257 -12.313 -1.389 31 HD13 LEU 4 3HD1 LEU 4 -0.036 -13.969 -1.918 32 HD21 LEU 4 3HD2 LEU 4 2.774 -14.213 0.533 33 HD22 LEU 4 1HD2 LEU 4 1.156 -14.820 0.174 34 HD23 LEU 4 2HD2 LEU 4 1.380 -13.139 0.657 35 H GLN 5 H GLN 5 3.294 -12.298 -4.781 36 HA GLN 5 HA GLN 5 6.194 -12.469 -4.402 37 HB2 GLN 5 1HB GLN 5 4.579 -10.604 -6.154 38 HB3 GLN 5 2HB GLN 5 6.334 -10.693 -6.092 39 HG2 GLN 5 1HG GLN 5 6.214 -13.026 -6.872 40 HG3 GLN 5 2HG GLN 5 4.466 -12.865 -7.006 41 HE21 GLN 5 2HE2 GLN 5 6.433 -13.481 -9.040 42 HE22 GLN 5 1HE2 GLN 5 6.247 -12.273 -10.268 43 H GLN 6 H GLN 6 6.926 -11.536 -2.634 44 HA GLN 6 HA GLN 6 5.455 -9.240 -1.568 45 HB2 GLN 6 1HB GLN 6 7.382 -11.144 -0.244 46 HB3 GLN 6 2HB GLN 6 6.758 -9.696 0.534 47 HG2 GLN 6 1HG GLN 6 4.457 -10.581 0.182 48 HG3 GLN 6 2HG GLN 6 5.181 -12.077 -0.405 49 HE21 GLN 6 2HE2 GLN 6 3.475 -11.557 1.926 50 HE22 GLN 6 1HE2 GLN 6 4.361 -12.126 3.301 51 H LYS 7 H LYS 7 6.179 -7.388 -2.132 52 HA LYS 7 HA LYS 7 9.081 -6.954 -2.426 53 HB2 LYS 7 1HB LYS 7 8.004 -6.622 -4.545 54 HB3 LYS 7 2HB LYS 7 6.719 -5.673 -3.815 55 HG2 LYS 7 1HG LYS 7 8.093 -4.128 -4.913 56 HG3 LYS 7 2HG LYS 7 8.504 -3.981 -3.205 57 HD2 LYS 7 1HD LYS 7 10.534 -3.965 -4.482 58 HD3 LYS 7 2HD LYS 7 10.439 -5.495 -3.607 59 HE2 LYS 7 1HE LYS 7 9.685 -6.632 -5.603 60 HE3 LYS 7 2HE LYS 7 9.634 -5.108 -6.488 61 HZ1 LYS 7 3HZ LYS 7 12.069 -6.389 -5.367 62 HZ2 LYS 7 1HZ LYS 7 12.028 -4.914 -6.202 63 HZ3 LYS 7 2HZ LYS 7 11.629 -6.350 -7.007 64 H GLN 8 H GLN 8 9.968 -5.587 -0.982 65 HA GLN 8 HA GLN 8 8.273 -4.207 0.878 66 HB2 GLN 8 1HB GLN 8 11.269 -4.205 0.521 67 HB3 GLN 8 2HB GLN 8 10.436 -3.297 1.778 68 HG2 GLN 8 1HG GLN 8 9.399 -5.513 2.468 69 HG3 GLN 8 2HG GLN 8 10.601 -6.269 1.425 70 HE21 GLN 8 2HE2 GLN 8 10.194 -6.406 4.319 71 HE22 GLN 8 1HE2 GLN 8 11.700 -5.927 5.025 72 H VAL 9 H VAL 9 7.541 -2.229 0.779 73 HA VAL 9 HA VAL 9 8.569 -0.443 -1.315 74 HB VAL 9 HB VAL 9 6.189 0.190 -1.819 75 HG11 VAL 9 1HG1 VAL 9 5.748 -1.738 -3.269 76 HG12 VAL 9 2HG1 VAL 9 6.966 -2.668 -2.394 77 HG13 VAL 9 3HG1 VAL 9 7.442 -1.251 -3.329 78 HG21 VAL 9 3HG2 VAL 9 5.608 -2.291 -0.207 79 HG22 VAL 9 1HG2 VAL 9 4.440 -1.462 -1.234 80 HG23 VAL 9 2HG2 VAL 9 5.114 -0.642 0.174 81 H VAL 10 H VAL 10 7.805 1.773 -1.075 82 HA VAL 10 HA VAL 10 7.494 2.541 1.744 83 HB VAL 10 HB VAL 10 8.018 4.370 -0.598 84 HG11 VAL 10 1HG1 VAL 10 8.463 4.709 2.364 85 HG12 VAL 10 2HG1 VAL 10 7.194 5.468 1.402 86 HG13 VAL 10 3HG1 VAL 10 8.884 5.888 1.122 87 HG21 VAL 10 3HG2 VAL 10 10.393 4.318 0.018 88 HG22 VAL 10 1HG2 VAL 10 9.815 2.751 -0.543 89 HG23 VAL 10 2HG2 VAL 10 10.052 3.037 1.179 90 H VAL 11 H VAL 11 5.490 3.089 2.425 91 HA VAL 11 HA VAL 11 3.366 3.744 0.619 92 HB VAL 11 HB VAL 11 3.496 4.335 3.585 93 HG11 VAL 11 1HG1 VAL 11 1.049 4.229 3.458 94 HG12 VAL 11 2HG1 VAL 11 1.157 3.972 1.716 95 HG13 VAL 11 3HG1 VAL 11 1.704 5.494 2.419 96 HG21 VAL 11 3HG2 VAL 11 3.956 1.977 3.219 97 HG22 VAL 11 1HG2 VAL 11 2.527 1.841 2.195 98 HG23 VAL 11 2HG2 VAL 11 2.348 2.190 3.914 99 H SER 12 H SER 12 3.924 5.472 -0.645 100 HA SER 12 HA SER 12 5.570 7.569 0.314 101 HB2 SER 12 1HB SER 12 5.022 8.600 -1.949 102 HB3 SER 12 2HB SER 12 5.772 7.004 -1.977 103 HG SER 12 HG SER 12 3.927 7.251 -3.395 104 H ASN 13 H ASN 13 2.125 7.443 -0.523 105 HA ASN 13 HA ASN 13 1.467 9.382 1.453 106 HB2 ASN 13 1HB ASN 13 2.442 10.848 -0.344 107 HB3 ASN 13 2HB ASN 13 1.168 10.289 -1.423 108 HD21 ASN 13 2HD2 ASN 13 0.345 12.366 -1.675 109 HD22 ASN 13 1HD2 ASN 13 -0.540 13.158 -0.414 110 H LYS 14 H LYS 14 -0.749 9.523 1.792 111 HA LYS 14 HA LYS 14 -2.376 7.584 0.350 112 HB2 LYS 14 1HB LYS 14 -4.094 8.088 2.070 113 HB3 LYS 14 2HB LYS 14 -2.577 7.539 2.769 114 HG2 LYS 14 1HG LYS 14 -1.989 9.820 3.343 115 HG3 LYS 14 2HG LYS 14 -3.468 10.408 2.582 116 HD2 LYS 14 1HD LYS 14 -4.786 9.086 4.195 117 HD3 LYS 14 2HD LYS 14 -3.285 8.588 4.980 118 HE2 LYS 14 1HE LYS 14 -2.764 10.936 5.447 119 HE3 LYS 14 2HE LYS 14 -4.277 11.419 4.681 120 HZ1 LYS 14 3HZ LYS 14 -3.987 9.774 7.142 121 HZ2 LYS 14 1HZ LYS 14 -5.465 10.115 6.375 122 HZ3 LYS 14 2HZ LYS 14 -4.547 11.372 7.047 123 H ARG 15 H ARG 15 -3.654 8.174 -1.271 124 HA ARG 15 HA ARG 15 -3.946 11.069 -1.732 125 HB2 ARG 15 1HB ARG 15 -4.068 8.914 -3.839 126 HB3 ARG 15 2HB ARG 15 -3.901 10.646 -4.081 127 HG2 ARG 15 1HG ARG 15 -1.661 10.542 -3.055 128 HG3 ARG 15 2HG ARG 15 -1.835 8.789 -2.918 129 HD2 ARG 15 1HD ARG 15 -2.214 8.738 -5.399 130 HD3 ARG 15 2HD ARG 15 -1.765 10.441 -5.436 131 HE ARG 15 HE ARG 15 0.029 8.236 -4.635 132 HH11 ARG 15 1HH1 ARG 15 -0.502 11.453 -5.900 133 HH12 ARG 15 2HH1 ARG 15 1.160 11.686 -6.364 134 HH21 ARG 15 1HH2 ARG 15 2.225 8.540 -5.242 135 HH22 ARG 15 2HH2 ARG 15 2.700 10.028 -5.992 136 H GLU 16 H GLU 16 -5.919 11.893 -2.265 137 HA GLU 16 HA GLU 16 -8.215 10.098 -2.072 138 HB2 GLU 16 1HB GLU 16 -8.166 12.223 -0.756 139 HB3 GLU 16 2HB GLU 16 -8.136 13.117 -2.268 140 HG2 GLU 16 1HG GLU 16 -10.316 12.047 -2.847 141 HG3 GLU 16 2HG GLU 16 -10.349 11.377 -1.216 142 H LYS 17 H LYS 17 -8.235 9.060 -4.045 143 HA LYS 17 HA LYS 17 -8.182 10.730 -6.450 144 HB2 LYS 17 1HB LYS 17 -7.834 7.770 -6.022 145 HB3 LYS 17 2HB LYS 17 -8.017 8.480 -7.620 146 HG2 LYS 17 1HG LYS 17 -5.859 9.267 -5.675 147 HG3 LYS 17 2HG LYS 17 -5.662 8.044 -6.933 148 HD2 LYS 17 1HD LYS 17 -6.185 9.721 -8.641 149 HD3 LYS 17 2HD LYS 17 -6.379 10.942 -7.381 150 HE2 LYS 17 1HE LYS 17 -4.060 10.749 -6.767 151 HE3 LYS 17 2HE LYS 17 -3.838 9.398 -7.878 152 HZ1 LYS 17 3HZ LYS 17 -3.002 11.504 -8.775 153 HZ2 LYS 17 1HZ LYS 17 -4.564 12.164 -8.691 154 HZ3 LYS 17 2HZ LYS 17 -4.248 10.860 -9.731 155 HA PRO 18 HA PRO 18 -12.579 9.842 -6.789 156 HB2 PRO 18 1HB PRO 18 -13.210 12.207 -7.967 157 HB3 PRO 18 2HB PRO 18 -13.065 12.017 -6.219 158 HG2 PRO 18 1HG PRO 18 -11.296 13.414 -8.089 159 HG3 PRO 18 2HG PRO 18 -11.404 13.556 -6.328 160 HD2 PRO 18 1HD PRO 18 -9.491 12.073 -7.904 161 HD3 PRO 18 2HD PRO 18 -9.538 12.295 -6.145 162 H VAL 19 H VAL 19 -12.633 8.323 -8.365 163 HA VAL 19 HA VAL 19 -11.354 8.669 -10.886 164 HB VAL 19 HB VAL 19 -13.353 6.537 -10.122 165 HG11 VAL 19 1HG1 VAL 19 -11.205 6.595 -12.241 166 HG12 VAL 19 2HG1 VAL 19 -12.944 6.686 -12.520 167 HG13 VAL 19 3HG1 VAL 19 -12.232 5.214 -11.857 168 HG21 VAL 19 3HG2 VAL 19 -11.535 6.598 -8.511 169 HG22 VAL 19 1HG2 VAL 19 -10.353 6.560 -9.819 170 HG23 VAL 19 2HG2 VAL 19 -11.401 5.170 -9.538 171 H ASN 20 H ASN 20 -14.768 7.832 -10.317 172 HA ASN 20 HA ASN 20 -16.621 8.188 -11.568 173 HB2 ASN 20 1HB ASN 20 -15.383 10.943 -11.724 174 HB3 ASN 20 2HB ASN 20 -17.031 10.569 -12.225 175 HD21 ASN 20 2HD2 ASN 20 -16.044 12.338 -10.100 176 HD22 ASN 20 1HD2 ASN 20 -16.789 11.775 -8.638 177 H ASP 21 H ASP 21 -15.616 6.671 -13.053 178 HA ASP 21 HA ASP 21 -14.249 7.480 -15.394 179 HB2 ASP 21 1HB ASP 21 -14.138 5.199 -14.441 180 HB3 ASP 21 2HB ASP 21 -15.835 4.957 -14.831 181 H ARG 22 H ARG 22 -15.162 7.057 -17.626 182 HA ARG 22 HA ARG 22 -17.410 8.678 -18.106 183 HB2 ARG 22 1HB ARG 22 -15.548 8.172 -19.720 184 HB3 ARG 22 2HB ARG 22 -16.258 6.581 -19.954 185 HG2 ARG 22 1HG ARG 22 -18.349 7.709 -20.712 186 HG3 ARG 22 2HG ARG 22 -17.474 9.242 -20.647 187 HD2 ARG 22 1HD ARG 22 -15.809 8.308 -22.219 188 HD3 ARG 22 2HD ARG 22 -16.786 6.845 -22.338 189 HE ARG 22 HE ARG 22 -17.316 9.413 -23.551 190 HH11 ARG 22 1HH1 ARG 22 -18.678 6.327 -22.587 191 HH12 ARG 22 2HH1 ARG 22 -19.958 6.387 -23.767 192 HH21 ARG 22 1HH2 ARG 22 -18.957 9.465 -25.123 193 HH22 ARG 22 2HH2 ARG 22 -20.106 8.164 -25.218 194 H ARG 23 H ARG 23 -17.083 5.335 -17.343 195 HA ARG 23 HA ARG 23 -19.559 4.389 -18.344 196 HB2 ARG 23 1HB ARG 23 -17.579 3.002 -17.580 197 HB3 ARG 23 2HB ARG 23 -18.075 3.345 -15.930 198 HG2 ARG 23 1HG ARG 23 -20.221 2.252 -16.346 199 HG3 ARG 23 2HG ARG 23 -19.718 1.906 -18.002 200 HD2 ARG 23 1HD ARG 23 -18.492 0.857 -15.457 201 HD3 ARG 23 2HD ARG 23 -19.373 -0.062 -16.675 202 HE ARG 23 HE ARG 23 -16.659 1.051 -16.963 203 HH11 ARG 23 1HH1 ARG 23 -19.224 -1.044 -18.118 204 HH12 ARG 23 2HH1 ARG 23 -18.219 -1.838 -19.290 205 HH21 ARG 23 1HH2 ARG 23 -15.323 -0.021 -18.461 206 HH22 ARG 23 2HH2 ARG 23 -15.982 -1.285 -19.459 207 H SER 24 H SER 24 -18.603 6.029 -15.408 208 HA SER 24 HA SER 24 -21.280 5.713 -14.276 209 HB2 SER 24 1HB SER 24 -20.178 6.846 -12.268 210 HB3 SER 24 2HB SER 24 -19.589 5.236 -12.680 211 HG SER 24 HG SER 24 -18.317 7.426 -13.860 212 H ARG 25 H ARG 25 -22.743 7.275 -14.399 213 HA ARG 25 HA ARG 25 -21.817 9.999 -15.062 214 HB2 ARG 25 1HB ARG 25 -24.263 8.574 -16.135 215 HB3 ARG 25 2HB ARG 25 -23.848 10.255 -16.451 216 HG2 ARG 25 1HG ARG 25 -21.855 9.587 -17.633 217 HG3 ARG 25 2HG ARG 25 -22.140 7.896 -17.222 218 HD2 ARG 25 1HD ARG 25 -23.867 9.646 -18.970 219 HD3 ARG 25 2HD ARG 25 -22.827 8.326 -19.503 220 HE ARG 25 HE ARG 25 -25.377 8.086 -18.084 221 HH11 ARG 25 1HH1 ARG 25 -22.641 6.524 -19.619 222 HH12 ARG 25 2HH1 ARG 25 -23.421 4.979 -19.719 223 HH21 ARG 25 1HH2 ARG 25 -26.393 6.059 -18.194 224 HH22 ARG 25 2HH2 ARG 25 -25.544 4.699 -18.866 225 H GLN 26 H GLN 26 -23.927 11.522 -14.756 226 HA GLN 26 HA GLN 26 -24.430 11.374 -11.936 227 HB2 GLN 26 1HB GLN 26 -25.466 13.301 -14.015 228 HB3 GLN 26 2HB GLN 26 -25.733 13.463 -12.284 229 HG2 GLN 26 1HG GLN 26 -23.221 13.463 -12.029 230 HG3 GLN 26 2HG GLN 26 -23.135 13.629 -13.781 231 HE21 GLN 26 2HE2 GLN 26 -22.230 15.446 -11.711 232 HE22 GLN 26 1HE2 GLN 26 -23.063 16.940 -11.971 233 H GLN 27 H GLN 27 -25.781 9.702 -14.337 234 HA GLN 27 HA GLN 27 -28.521 9.715 -13.469 235 HB2 GLN 27 1HB GLN 27 -26.964 7.765 -15.177 236 HB3 GLN 27 2HB GLN 27 -28.696 7.670 -14.889 237 HG2 GLN 27 1HG GLN 27 -29.064 9.743 -16.016 238 HG3 GLN 27 2HG GLN 27 -27.330 10.034 -16.148 239 HE21 GLN 27 2HE2 GLN 27 -29.405 9.843 -18.215 240 HE22 GLN 27 1HE2 GLN 27 -28.850 8.616 -19.303 241 H GLU 28 H GLU 28 -25.590 8.350 -12.421 242 HA GLU 28 HA GLU 28 -26.865 6.312 -10.790 243 HB2 GLU 28 1HB GLU 28 -24.008 7.188 -11.181 244 HB3 GLU 28 2HB GLU 28 -24.460 6.130 -9.854 245 HG2 GLU 28 1HG GLU 28 -23.651 4.768 -11.612 246 HG3 GLU 28 2HG GLU 28 -25.395 4.543 -11.530 247 H VAL 29 H VAL 29 -27.329 6.534 -8.657 248 HA VAL 29 HA VAL 29 -27.215 9.225 -7.579 249 HB VAL 29 HB VAL 29 -28.400 6.744 -6.320 250 HG11 VAL 29 1HG1 VAL 29 -28.798 9.668 -5.698 251 HG12 VAL 29 2HG1 VAL 29 -27.877 8.521 -4.727 252 HG13 VAL 29 3HG1 VAL 29 -29.622 8.322 -4.910 253 HG21 VAL 29 3HG2 VAL 29 -29.488 7.237 -8.446 254 HG22 VAL 29 1HG2 VAL 29 -29.737 8.909 -7.944 255 HG23 VAL 29 2HG2 VAL 29 -30.563 7.602 -7.096 256 H SER 30 H SER 30 -25.704 6.121 -7.119 257 HA SER 30 HA SER 30 -24.071 7.293 -4.967 258 HB2 SER 30 1HB SER 30 -25.425 5.292 -4.311 259 HB3 SER 30 2HB SER 30 -24.538 4.350 -5.508 260 HG SER 30 HG SER 30 -23.662 5.453 -3.074 261 HA PRO 31 HA PRO 31 -21.128 6.655 -8.449 262 HB2 PRO 31 1HB PRO 31 -20.239 9.364 -8.043 263 HB3 PRO 31 2HB PRO 31 -21.092 8.699 -9.437 264 HG2 PRO 31 1HG PRO 31 -22.178 10.543 -7.712 265 HG3 PRO 31 2HG PRO 31 -23.134 9.410 -8.682 266 HD2 PRO 31 1HD PRO 31 -22.325 9.224 -5.805 267 HD3 PRO 31 2HD PRO 31 -23.887 8.843 -6.566 268 H ALA 32 H ALA 32 -20.966 8.022 -5.281 269 HA ALA 32 HA ALA 32 -18.652 6.546 -4.564 270 HB1 ALA 32 3HB ALA 32 -18.348 9.548 -4.709 271 HB2 ALA 32 1HB ALA 32 -17.525 8.376 -5.740 272 HB3 ALA 32 2HB ALA 32 -17.184 8.422 -4.011 273 H GLY 33 H GLY 33 -20.050 5.793 -2.951 274 HA2 GLY 33 1HA GLY 33 -21.434 7.359 -1.088 275 HA3 GLY 33 2HA GLY 33 -20.792 5.750 -0.770 276 H THR 34 H THR 34 -18.198 5.938 -0.771 277 HA THR 34 HA THR 34 -17.471 7.815 1.298 278 HB THR 34 HB THR 34 -15.618 5.983 -0.238 279 HG1 THR 34 HG1 THR 34 -17.261 5.428 2.042 280 HG21 THR 34 3HG2 THR 34 -14.302 6.044 1.831 281 HG22 THR 34 1HG2 THR 34 -15.493 7.121 2.560 282 HG23 THR 34 2HG2 THR 34 -14.539 7.665 1.180 283 H SER 35 H SER 35 -17.468 9.868 0.482 284 HA SER 35 HA SER 35 -16.755 10.541 -2.158 285 HB2 SER 35 1HB SER 35 -18.204 11.919 -0.626 286 HB3 SER 35 2HB SER 35 -16.739 12.395 0.234 287 HG SER 35 HG SER 35 -17.345 13.924 -1.368 288 H MET 36 H MET 36 -14.961 10.494 0.861 289 HA MET 36 HA MET 36 -12.522 11.280 -0.545 290 HB2 MET 36 1HB MET 36 -13.006 10.690 2.382 291 HB3 MET 36 2HB MET 36 -11.470 11.206 1.700 292 HG2 MET 36 1HG MET 36 -12.446 13.326 1.043 293 HG3 MET 36 2HG MET 36 -14.020 12.808 1.645 294 HE1 MET 36 3HE MET 36 -10.510 12.109 3.283 295 HE2 MET 36 1HE MET 36 -10.346 13.498 4.357 296 HE3 MET 36 2HE MET 36 -10.326 13.728 2.609 297 H ARG 37 H ARG 37 -12.542 9.361 -1.867 298 HA ARG 37 HA ARG 37 -12.242 6.780 -0.690 299 HB2 ARG 37 1HB ARG 37 -11.879 7.859 -3.469 300 HB3 ARG 37 2HB ARG 37 -11.369 6.224 -3.071 301 HG2 ARG 37 1HG ARG 37 -13.637 5.675 -2.371 302 HG3 ARG 37 2HG ARG 37 -14.155 7.321 -2.743 303 HD2 ARG 37 1HD ARG 37 -13.716 7.011 -5.066 304 HD3 ARG 37 2HD ARG 37 -12.921 5.467 -4.767 305 HE ARG 37 HE ARG 37 -15.254 4.786 -3.912 306 HH11 ARG 37 1HH1 ARG 37 -14.664 7.017 -6.543 307 HH12 ARG 37 2HH1 ARG 37 -16.106 6.595 -7.409 308 HH21 ARG 37 1HH2 ARG 37 -17.163 4.230 -5.038 309 HH22 ARG 37 2HH2 ARG 37 -17.539 5.018 -6.538 310 H TYR 38 H TYR 38 -10.560 6.186 0.433 311 HA TYR 38 HA TYR 38 -8.048 7.578 0.196 312 HB2 TYR 38 1HB TYR 38 -8.657 5.187 1.936 313 HB3 TYR 38 2HB TYR 38 -7.364 6.360 2.142 314 HD1 TYR 38 HD1 TYR 38 -8.420 8.919 2.214 315 HD2 TYR 38 HD2 TYR 38 -10.324 5.334 3.487 316 HE1 TYR 38 HE1 TYR 38 -9.853 10.224 3.731 317 HE2 TYR 38 HE2 TYR 38 -11.765 6.628 5.000 318 HH TYR 38 HH TYR 38 -12.281 9.804 4.805 319 H GLU 39 H GLU 39 -6.604 7.021 -1.254 320 HA GLU 39 HA GLU 39 -6.147 4.154 -1.709 321 HB2 GLU 39 1HB GLU 39 -5.811 6.449 -3.642 322 HB3 GLU 39 2HB GLU 39 -5.160 4.843 -3.917 323 HG2 GLU 39 1HG GLU 39 -7.624 4.086 -3.559 324 HG3 GLU 39 2HG GLU 39 -7.987 5.769 -3.940 325 H ALA 40 H ALA 40 -4.003 3.472 -1.678 326 HA ALA 40 HA ALA 40 -2.089 5.509 -0.738 327 HB1 ALA 40 3HB ALA 40 -1.006 3.779 0.594 328 HB2 ALA 40 1HB ALA 40 -2.188 2.595 0.036 329 HB3 ALA 40 2HB ALA 40 -2.703 3.947 1.045 330 H SER 41 H SER 41 -0.240 5.705 -1.828 331 HA SER 41 HA SER 41 0.214 3.899 -4.069 332 HB2 SER 41 1HB SER 41 1.584 6.500 -3.342 333 HB3 SER 41 2HB SER 41 1.831 5.587 -4.831 334 HG SER 41 HG SER 41 -0.444 5.900 -5.250 335 H PHE 42 H PHE 42 1.603 2.312 -3.950 336 HA PHE 42 HA PHE 42 3.607 2.309 -1.808 337 HB2 PHE 42 1HB PHE 42 2.580 0.048 -3.544 338 HB3 PHE 42 2HB PHE 42 3.754 -0.120 -2.242 339 HD1 PHE 42 HD1 PHE 42 3.037 0.429 0.106 340 HD2 PHE 42 HD2 PHE 42 0.282 0.027 -3.109 341 HE1 PHE 42 HE1 PHE 42 1.204 0.130 1.719 342 HE2 PHE 42 HE2 PHE 42 -1.557 -0.270 -1.503 343 HZ PHE 42 HZ PHE 42 -1.097 -0.218 0.916 344 H LYS 43 H LYS 43 5.508 2.998 -2.348 345 HA LYS 43 HA LYS 43 6.370 2.921 -5.149 346 HB2 LYS 43 1HB LYS 43 6.286 5.081 -3.902 347 HB3 LYS 43 2HB LYS 43 7.497 4.452 -2.798 348 HG2 LYS 43 1HG LYS 43 9.120 4.340 -4.579 349 HG3 LYS 43 2HG LYS 43 7.903 4.849 -5.754 350 HD2 LYS 43 1HD LYS 43 7.632 6.963 -4.522 351 HD3 LYS 43 2HD LYS 43 8.896 6.456 -3.402 352 HE2 LYS 43 1HE LYS 43 10.511 6.409 -5.209 353 HE3 LYS 43 2HE LYS 43 9.252 6.831 -6.370 354 HZ1 LYS 43 3HZ LYS 43 10.562 8.765 -5.733 355 HZ2 LYS 43 1HZ LYS 43 10.147 8.532 -4.104 356 HZ3 LYS 43 2HZ LYS 43 8.950 8.938 -5.233 357 HA PRO 44 HA PRO 44 8.928 -0.567 -3.990 358 HB2 PRO 44 1HB PRO 44 10.137 -0.096 -6.646 359 HB3 PRO 44 2HB PRO 44 9.355 -1.544 -6.005 360 HG2 PRO 44 1HG PRO 44 8.155 -0.024 -7.850 361 HG3 PRO 44 2HG PRO 44 7.232 -0.801 -6.549 362 HD2 PRO 44 1HD PRO 44 8.127 2.048 -6.800 363 HD3 PRO 44 2HD PRO 44 6.577 1.402 -6.222 364 H LEU 45 H LEU 45 10.841 -0.706 -3.004 365 HA LEU 45 HA LEU 45 12.415 1.571 -2.549 366 HB2 LEU 45 1HB LEU 45 12.933 -1.349 -2.022 367 HB3 LEU 45 2HB LEU 45 14.005 -0.071 -1.481 368 HG LEU 45 HG LEU 45 11.100 -0.279 -0.687 369 HD11 LEU 45 1HD1 LEU 45 12.367 -2.185 0.168 370 HD12 LEU 45 2HD1 LEU 45 11.908 -1.079 1.463 371 HD13 LEU 45 3HD1 LEU 45 13.564 -1.085 0.852 372 HD21 LEU 45 3HD2 LEU 45 11.736 1.342 1.028 373 HD22 LEU 45 1HD2 LEU 45 12.012 1.977 -0.593 374 HD23 LEU 45 2HD2 LEU 45 13.372 1.399 0.371 375 H ASN 46 H ASN 46 12.773 -1.064 -4.846 376 HA ASN 46 HA ASN 46 15.397 -0.077 -5.628 377 HB2 ASN 46 1HB ASN 46 15.472 -2.074 -7.115 378 HB3 ASN 46 2HB ASN 46 15.232 -2.483 -5.421 379 HD21 ASN 46 2HD2 ASN 46 13.787 -2.388 -8.588 380 HD22 ASN 46 1HD2 ASN 46 12.406 -3.362 -8.196 381 H GLY 47 H GLY 47 12.763 1.247 -6.132 382 HA2 GLY 47 1HA GLY 47 12.286 2.832 -7.799 383 HA3 GLY 47 2HA GLY 47 13.327 1.948 -8.904 384 H GLY 48 H GLY 48 10.583 2.986 -9.235 385 HA2 GLY 48 1HA GLY 48 9.449 1.344 -10.978 386 HA3 GLY 48 2HA GLY 48 8.983 0.559 -9.475 387 H LEU 49 H LEU 49 7.048 1.432 -11.167 388 HA LEU 49 HA LEU 49 6.137 4.065 -10.675 389 HB2 LEU 49 1HB LEU 49 5.437 2.670 -12.597 390 HB3 LEU 49 2HB LEU 49 4.567 1.619 -11.498 391 HG LEU 49 HG LEU 49 3.155 3.618 -10.867 392 HD11 LEU 49 1HD1 LEU 49 4.490 4.805 -13.295 393 HD12 LEU 49 2HD1 LEU 49 4.659 5.369 -11.632 394 HD13 LEU 49 3HD1 LEU 49 3.100 5.481 -12.447 395 HD21 LEU 49 3HD2 LEU 49 3.094 2.704 -13.739 396 HD22 LEU 49 1HD2 LEU 49 1.761 3.462 -12.867 397 HD23 LEU 49 2HD2 LEU 49 2.352 1.877 -12.370 398 H GLU 50 H GLU 50 4.764 4.881 -9.159 399 HA GLU 50 HA GLU 50 4.429 3.496 -6.705 400 HB2 GLU 50 1HB GLU 50 3.157 6.032 -7.745 401 HB3 GLU 50 2HB GLU 50 2.955 5.435 -6.104 402 HG2 GLU 50 1HG GLU 50 5.348 5.633 -5.721 403 HG3 GLU 50 2HG GLU 50 5.575 6.194 -7.378 404 H LYS 51 H LYS 51 3.097 1.888 -6.383 405 HA LYS 51 HA LYS 51 0.812 1.452 -8.103 406 HB2 LYS 51 1HB LYS 51 1.891 -0.130 -5.762 407 HB3 LYS 51 2HB LYS 51 0.582 -0.653 -6.815 408 HG2 LYS 51 1HG LYS 51 2.029 -0.849 -8.672 409 HG3 LYS 51 2HG LYS 51 3.331 -0.004 -7.832 410 HD2 LYS 51 1HD LYS 51 3.469 -1.860 -6.224 411 HD3 LYS 51 2HD LYS 51 2.198 -2.705 -7.110 412 HE2 LYS 51 1HE LYS 51 4.534 -3.445 -7.641 413 HE3 LYS 51 2HE LYS 51 3.578 -2.936 -9.032 414 HZ1 LYS 51 3HZ LYS 51 5.393 -1.062 -7.648 415 HZ2 LYS 51 1HZ LYS 51 4.751 -0.949 -9.211 416 HZ3 LYS 51 2HZ LYS 51 5.959 -2.094 -8.864 417 H THR 52 H THR 52 -1.009 2.504 -7.693 418 HA THR 52 HA THR 52 -1.658 3.249 -4.941 419 HB THR 52 HB THR 52 -2.948 4.143 -7.531 420 HG1 THR 52 HG1 THR 52 -1.410 5.592 -7.642 421 HG21 THR 52 3HG2 THR 52 -4.434 4.416 -5.634 422 HG22 THR 52 1HG2 THR 52 -3.837 5.990 -6.155 423 HG23 THR 52 2HG2 THR 52 -3.159 5.222 -4.719 424 H PHE 53 H PHE 53 -3.026 2.021 -3.833 425 HA PHE 53 HA PHE 53 -5.046 0.462 -5.312 426 HB2 PHE 53 1HB PHE 53 -3.512 -0.394 -2.848 427 HB3 PHE 53 2HB PHE 53 -4.825 -1.302 -3.586 428 HD1 PHE 53 HD2 PHE 53 -4.438 -1.686 -6.227 429 HD2 PHE 53 HD1 PHE 53 -1.393 -1.089 -3.318 430 HE1 PHE 53 HE2 PHE 53 -2.823 -2.826 -7.691 431 HE2 PHE 53 HE1 PHE 53 0.229 -2.228 -4.776 432 HZ PHE 53 HZ PHE 53 -0.486 -3.100 -6.965 433 H ARG 54 H ARG 54 -6.950 -0.118 -4.044 434 HA ARG 54 HA ARG 54 -7.966 2.177 -2.635 435 HB2 ARG 54 1HB ARG 54 -9.251 -0.529 -3.086 436 HB3 ARG 54 2HB ARG 54 -10.074 0.940 -2.582 437 HG2 ARG 54 1HG ARG 54 -8.596 0.762 -5.184 438 HG3 ARG 54 2HG ARG 54 -10.276 0.250 -5.019 439 HD2 ARG 54 1HD ARG 54 -11.038 2.384 -4.703 440 HD3 ARG 54 2HD ARG 54 -9.515 2.941 -4.007 441 HE ARG 54 HE ARG 54 -8.600 3.075 -6.211 442 HH11 ARG 54 1HH1 ARG 54 -12.073 2.527 -6.108 443 HH12 ARG 54 2HH1 ARG 54 -12.328 3.095 -7.732 444 HH21 ARG 54 1HH2 ARG 54 -8.946 3.830 -8.319 445 HH22 ARG 54 2HH2 ARG 54 -10.548 3.841 -8.981 446 H LEU 55 H LEU 55 -7.977 2.482 -0.486 447 HA LEU 55 HA LEU 55 -7.821 0.130 1.265 448 HB2 LEU 55 1HB LEU 55 -6.084 2.584 1.371 449 HB3 LEU 55 2HB LEU 55 -6.332 1.561 2.774 450 HG LEU 55 HG LEU 55 -5.074 0.721 0.160 451 HD11 LEU 55 1HD1 LEU 55 -3.636 2.134 1.529 452 HD12 LEU 55 2HD1 LEU 55 -3.051 0.470 1.504 453 HD13 LEU 55 3HD1 LEU 55 -3.910 1.081 2.918 454 HD21 LEU 55 3HD2 LEU 55 -6.358 -1.105 1.141 455 HD22 LEU 55 1HD2 LEU 55 -5.545 -0.857 2.687 456 HD23 LEU 55 2HD2 LEU 55 -4.626 -1.405 1.286 457 H GLN 56 H GLN 56 -9.221 0.168 2.899 458 HA GLN 56 HA GLN 56 -10.860 2.533 3.297 459 HB2 GLN 56 1HB GLN 56 -10.946 -0.201 4.587 460 HB3 GLN 56 2HB GLN 56 -12.095 1.089 4.913 461 HG2 GLN 56 1HG GLN 56 -12.757 1.068 2.546 462 HG3 GLN 56 2HG GLN 56 -11.643 -0.269 2.265 463 HE21 GLN 56 2HE2 GLN 56 -14.549 -0.123 1.951 464 HE22 GLN 56 1HE2 GLN 56 -15.201 -1.384 2.939 465 H ALA 57 H ALA 57 -11.321 3.213 5.602 466 HA ALA 57 HA ALA 57 -8.987 4.177 6.797 467 HB1 ALA 57 3HB ALA 57 -10.414 4.912 8.632 468 HB2 ALA 57 1HB ALA 57 -11.712 3.867 8.054 469 HB3 ALA 57 2HB ALA 57 -11.178 5.233 7.074 470 H GLN 58 H GLN 58 -10.976 1.374 7.584 471 HA GLN 58 HA GLN 58 -9.664 0.610 9.947 472 HB2 GLN 58 1HB GLN 58 -11.847 -0.275 9.271 473 HB3 GLN 58 2HB GLN 58 -11.104 -1.091 7.904 474 HG2 GLN 58 1HG GLN 58 -9.865 -2.535 9.389 475 HG3 GLN 58 2HG GLN 58 -10.487 -1.667 10.792 476 HE21 GLN 58 2HE2 GLN 58 -10.728 -4.493 10.045 477 HE22 GLN 58 1HE2 GLN 58 -12.425 -4.819 10.000 478 H GLN 59 H GLN 59 -8.973 0.003 6.567 479 HA GLN 59 HA GLN 59 -6.928 -1.942 7.084 480 HB2 GLN 59 1HB GLN 59 -7.717 -0.418 4.601 481 HB3 GLN 59 2HB GLN 59 -6.435 -1.621 4.634 482 HG2 GLN 59 1HG GLN 59 -7.982 -3.351 5.205 483 HG3 GLN 59 2HG GLN 59 -9.285 -2.179 5.414 484 HE21 GLN 59 2HE2 GLN 59 -8.995 -4.524 3.638 485 HE22 GLN 59 1HE2 GLN 59 -9.274 -3.918 2.038 486 H TYR 60 H TYR 60 -6.987 1.460 6.067 487 HA TYR 60 HA TYR 60 -4.211 1.803 5.864 488 HB2 TYR 60 1HB TYR 60 -5.728 3.396 4.866 489 HB3 TYR 60 2HB TYR 60 -6.389 3.817 6.442 490 HD1 TYR 60 HD1 TYR 60 -3.165 3.821 4.555 491 HD2 TYR 60 HD2 TYR 60 -5.538 5.650 7.576 492 HE1 TYR 60 HE1 TYR 60 -1.483 5.601 4.792 493 HE2 TYR 60 HE2 TYR 60 -3.866 7.432 7.819 494 HH TYR 60 HH TYR 60 -1.512 7.812 7.398 495 H HIS 61 H HIS 61 -6.292 1.706 8.612 496 HA HIS 61 HA HIS 61 -4.834 3.071 10.539 497 HB2 HIS 61 1HB HIS 61 -7.071 2.225 10.956 498 HB3 HIS 61 2HB HIS 61 -6.520 0.567 10.779 499 HD1 HIS 61 HD1 HIS 61 -7.029 3.210 13.272 500 HD2 HIS 61 HD2 HIS 61 -4.861 -0.330 12.978 501 HE1 HIS 61 HE1 HIS 61 -6.395 2.599 15.629 502 HE2 HIS 61 HE2 HIS 61 -5.300 0.328 15.436 503 H ALA 62 H ALA 62 -3.996 0.173 8.884 504 HA ALA 62 HA ALA 62 -2.268 -0.771 11.035 505 HB1 ALA 62 3HB ALA 62 -1.969 -2.765 9.692 506 HB2 ALA 62 1HB ALA 62 -2.842 -2.017 8.354 507 HB3 ALA 62 2HB ALA 62 -3.682 -2.385 9.860 508 H LEU 63 H LEU 63 -1.927 1.369 8.476 509 HA LEU 63 HA LEU 63 0.969 0.936 8.487 510 HB2 LEU 63 1HB LEU 63 1.128 1.312 6.066 511 HB3 LEU 63 2HB LEU 63 0.268 -0.160 6.465 512 HG LEU 63 HG LEU 63 -1.291 2.332 5.879 513 HD11 LEU 63 1HD1 LEU 63 -1.315 1.736 3.510 514 HD12 LEU 63 2HD1 LEU 63 -0.143 0.455 3.815 515 HD13 LEU 63 3HD1 LEU 63 0.316 2.142 4.046 516 HD21 LEU 63 3HD2 LEU 63 -2.918 0.705 5.054 517 HD22 LEU 63 1HD2 LEU 63 -2.455 0.352 6.720 518 HD23 LEU 63 2HD2 LEU 63 -1.788 -0.605 5.399 519 H THR 64 H THR 64 2.218 2.778 7.804 520 HA THR 64 HA THR 64 0.763 5.320 8.133 521 HB THR 64 HB THR 64 3.565 4.775 9.131 522 HG1 THR 64 HG1 THR 64 2.182 3.507 10.362 523 HG21 THR 64 3HG2 THR 64 3.214 6.816 10.437 524 HG22 THR 64 1HG2 THR 64 1.605 6.992 9.737 525 HG23 THR 64 2HG2 THR 64 3.033 7.132 8.712 526 H VAL 65 H VAL 65 1.444 7.047 6.840 527 HA VAL 65 HA VAL 65 2.811 6.509 4.436 528 HB VAL 65 HB VAL 65 2.086 9.101 5.800 529 HG11 VAL 65 1HG1 VAL 65 3.374 8.766 3.090 530 HG12 VAL 65 2HG1 VAL 65 4.120 9.506 4.507 531 HG13 VAL 65 3HG1 VAL 65 2.725 10.270 3.745 532 HG21 VAL 65 3HG2 VAL 65 0.485 9.268 3.959 533 HG22 VAL 65 1HG2 VAL 65 0.256 7.778 4.876 534 HG23 VAL 65 2HG2 VAL 65 1.072 7.735 3.311 535 H GLY 66 H GLY 66 4.897 6.362 4.009 536 HA2 GLY 66 1HA GLY 66 7.181 6.993 4.198 537 HA3 GLY 66 2HA GLY 66 6.851 7.614 5.810 538 H ASP 67 H ASP 67 5.240 4.995 6.173 539 HA ASP 67 HA ASP 67 7.409 3.635 7.476 540 HB2 ASP 67 1HB ASP 67 5.092 3.825 8.435 541 HB3 ASP 67 2HB ASP 67 4.548 2.699 7.196 542 H GLN 68 H GLN 68 8.764 2.885 5.927 543 HA GLN 68 HA GLN 68 8.017 1.364 3.676 544 HB2 GLN 68 1HB GLN 68 10.621 1.192 5.205 545 HB3 GLN 68 2HB GLN 68 10.351 0.730 3.530 546 HG2 GLN 68 1HG GLN 68 9.862 3.075 2.985 547 HG3 GLN 68 2HG GLN 68 10.200 3.517 4.656 548 HE21 GLN 68 2HE2 GLN 68 11.498 4.390 2.209 549 HE22 GLN 68 1HE2 GLN 68 13.173 3.986 2.371 550 H GLY 69 H GLY 69 7.527 -0.741 3.421 551 HA2 GLY 69 1HA GLY 69 8.174 -2.715 5.423 552 HA3 GLY 69 2HA GLY 69 6.470 -2.281 5.389 553 H THR 70 H THR 70 6.479 -4.701 4.885 554 HA THR 70 HA THR 70 7.349 -5.361 2.180 555 HB THR 70 HB THR 70 6.092 -7.191 4.237 556 HG1 THR 70 HG1 THR 70 7.918 -6.865 5.272 557 HG21 THR 70 3HG2 THR 70 7.217 -8.962 2.971 558 HG22 THR 70 1HG2 THR 70 7.835 -7.763 1.834 559 HG23 THR 70 2HG2 THR 70 6.100 -8.062 1.945 560 H LEU 71 H LEU 71 5.958 -5.938 0.511 561 HA LEU 71 HA LEU 71 3.088 -5.571 1.069 562 HB2 LEU 71 1HB LEU 71 4.050 -3.791 -0.323 563 HB3 LEU 71 2HB LEU 71 4.605 -4.988 -1.476 564 HG LEU 71 HG LEU 71 2.251 -5.592 -1.951 565 HD11 LEU 71 1HD1 LEU 71 0.462 -4.128 -1.150 566 HD12 LEU 71 2HD1 LEU 71 1.623 -3.266 -0.139 567 HD13 LEU 71 3HD1 LEU 71 1.266 -4.962 0.180 568 HD21 LEU 71 3HD2 LEU 71 1.704 -3.561 -3.202 569 HD22 LEU 71 1HD2 LEU 71 3.414 -3.972 -3.352 570 HD23 LEU 71 2HD2 LEU 71 2.911 -2.666 -2.279 571 H SER 72 H SER 72 1.919 -7.310 0.871 572 HA SER 72 HA SER 72 2.866 -9.655 -0.612 573 HB2 SER 72 1HB SER 72 2.003 -9.942 1.680 574 HB3 SER 72 2HB SER 72 0.467 -9.222 1.202 575 HG SER 72 HG SER 72 0.607 -11.600 1.243 576 H TYR 73 H TYR 73 2.395 -9.593 -2.751 577 HA TYR 73 HA TYR 73 -0.372 -9.057 -3.512 578 HB2 TYR 73 1HB TYR 73 0.281 -7.584 -5.353 579 HB3 TYR 73 2HB TYR 73 0.787 -6.910 -3.809 580 HD1 TYR 73 HD1 TYR 73 1.981 -8.611 -6.870 581 HD2 TYR 73 HD2 TYR 73 3.090 -6.505 -3.343 582 HE1 TYR 73 HE1 TYR 73 4.275 -8.403 -7.724 583 HE2 TYR 73 HE2 TYR 73 5.388 -6.293 -4.188 584 HH TYR 73 HH TYR 73 6.236 -7.114 -7.444 585 H LYS 74 H LYS 74 -0.827 -9.702 -5.748 586 HA LYS 74 HA LYS 74 1.124 -11.576 -6.895 587 HB2 LYS 74 1HB LYS 74 -1.863 -12.025 -6.673 588 HB3 LYS 74 2HB LYS 74 -0.771 -13.025 -7.620 589 HG2 LYS 74 1HG LYS 74 0.408 -13.692 -5.609 590 HG3 LYS 74 2HG LYS 74 -0.620 -12.635 -4.638 591 HD2 LYS 74 1HD LYS 74 -2.580 -13.946 -5.297 592 HD3 LYS 74 2HD LYS 74 -1.548 -15.002 -6.263 593 HE2 LYS 74 1HE LYS 74 -0.351 -15.692 -4.259 594 HE3 LYS 74 2HE LYS 74 -1.327 -14.596 -3.281 595 HZ1 LYS 74 3HZ LYS 74 -2.365 -16.912 -4.828 596 HZ2 LYS 74 1HZ LYS 74 -3.288 -15.867 -3.858 597 HZ3 LYS 74 2HZ LYS 74 -2.124 -16.878 -3.147 598 H GLY 75 H GLY 75 1.782 -10.051 -8.392 599 HA2 GLY 75 1HA GLY 75 1.661 -8.946 -10.428 600 HA3 GLY 75 2HA GLY 75 -0.018 -9.459 -10.570 601 H THR 76 H THR 76 -1.463 -7.870 -10.467 602 HA THR 76 HA THR 76 -0.764 -5.454 -8.951 603 HB THR 76 HB THR 76 -2.831 -4.521 -10.174 604 HG1 THR 76 HG1 THR 76 -3.821 -5.986 -11.335 605 HG21 THR 76 3HG2 THR 76 -1.504 -3.993 -12.172 606 HG22 THR 76 1HG2 THR 76 -0.360 -5.267 -11.746 607 HG23 THR 76 2HG2 THR 76 -0.537 -3.856 -10.703 608 H ARG 77 H ARG 77 -2.224 -8.284 -8.448 609 HA ARG 77 HA ARG 77 -4.619 -7.429 -7.120 610 HB2 ARG 77 1HB ARG 77 -3.163 -10.033 -7.383 611 HB3 ARG 77 2HB ARG 77 -4.425 -9.856 -6.171 612 HG2 ARG 77 1HG ARG 77 -6.025 -9.262 -7.902 613 HG3 ARG 77 2HG ARG 77 -4.762 -9.401 -9.126 614 HD2 ARG 77 1HD ARG 77 -5.213 -11.726 -7.344 615 HD3 ARG 77 2HD ARG 77 -6.437 -11.389 -8.564 616 HE ARG 77 HE ARG 77 -4.375 -11.389 -10.129 617 HH11 ARG 77 1HH1 ARG 77 -4.735 -13.438 -7.307 618 HH12 ARG 77 2HH1 ARG 77 -3.967 -14.809 -8.053 619 HH21 ARG 77 1HH2 ARG 77 -3.351 -13.159 -11.092 620 HH22 ARG 77 2HH2 ARG 77 -3.154 -14.644 -10.205 621 H PHE 78 H PHE 78 -4.497 -6.256 -5.356 622 HA PHE 78 HA PHE 78 -2.285 -6.370 -3.541 623 HB2 PHE 78 1HB PHE 78 -3.447 -4.262 -3.952 624 HB3 PHE 78 2HB PHE 78 -4.954 -4.949 -3.364 625 HD1 PHE 78 HD1 PHE 78 -1.557 -3.906 -2.358 626 HD2 PHE 78 HD2 PHE 78 -5.473 -4.957 -1.067 627 HE1 PHE 78 HE1 PHE 78 -1.021 -3.112 -0.092 628 HE2 PHE 78 HE2 PHE 78 -4.942 -4.167 1.201 629 HZ PHE 78 HZ PHE 78 -2.715 -3.242 1.690 630 H VAL 79 H VAL 79 -2.078 -8.195 -2.384 631 HA VAL 79 HA VAL 79 -4.383 -9.562 -1.298 632 HB VAL 79 HB VAL 79 -1.439 -10.113 -0.858 633 HG11 VAL 79 1HG1 VAL 79 -2.177 -12.332 -0.136 634 HG12 VAL 79 2HG1 VAL 79 -3.858 -11.833 -0.318 635 HG13 VAL 79 3HG1 VAL 79 -2.837 -11.064 0.897 636 HG21 VAL 79 3HG2 VAL 79 -3.387 -11.359 -2.797 637 HG22 VAL 79 1HG2 VAL 79 -1.730 -11.896 -2.518 638 HG23 VAL 79 2HG2 VAL 79 -2.035 -10.303 -3.209 639 H GLY 80 H GLY 80 -1.595 -7.740 -0.048 640 HA2 GLY 80 1HA GLY 80 -2.997 -6.340 1.876 641 HA3 GLY 80 2HA GLY 80 -2.473 -7.820 2.665 642 H PHE 81 H PHE 81 -1.689 -5.083 3.245 643 HA PHE 81 HA PHE 81 1.127 -5.058 2.480 644 HB2 PHE 81 1HB PHE 81 -0.168 -2.937 2.382 645 HB3 PHE 81 2HB PHE 81 -0.447 -3.050 4.116 646 HD1 PHE 81 HD2 PHE 81 2.295 -2.890 1.607 647 HD2 PHE 81 HD1 PHE 81 1.038 -2.056 5.585 648 HE1 PHE 81 HE2 PHE 81 4.401 -1.687 2.017 649 HE2 PHE 81 HE1 PHE 81 3.141 -0.853 6.002 650 HZ PHE 81 HZ PHE 81 4.827 -0.667 4.218 651 H VAL 82 H VAL 82 2.745 -5.543 3.864 652 HA VAL 82 HA VAL 82 1.906 -6.614 6.470 653 HB VAL 82 HB VAL 82 4.449 -7.243 4.964 654 HG11 VAL 82 1HG1 VAL 82 4.594 -9.141 6.509 655 HG12 VAL 82 2HG1 VAL 82 3.140 -8.576 7.331 656 HG13 VAL 82 3HG1 VAL 82 4.608 -7.598 7.363 657 HG21 VAL 82 3HG2 VAL 82 2.531 -8.005 3.674 658 HG22 VAL 82 1HG2 VAL 82 1.884 -8.826 5.095 659 HG23 VAL 82 2HG2 VAL 82 3.395 -9.377 4.370 660 H SER 83 H SER 83 2.018 -4.734 7.654 661 HA SER 83 HA SER 83 4.380 -3.129 7.787 662 HB2 SER 83 1HB SER 83 2.164 -3.340 9.839 663 HB3 SER 83 2HB SER 83 3.264 -1.984 9.585 664 HG SER 83 HG SER 83 1.199 -1.630 8.641 665 H ARG 84 H ARG 84 5.853 -3.038 9.579 666 HA ARG 84 HA ARG 84 6.639 -5.608 10.482 667 HB2 ARG 84 1HB ARG 84 7.614 -2.840 11.158 668 HB3 ARG 84 2HB ARG 84 8.309 -4.287 11.877 669 HG2 ARG 84 1HG ARG 84 8.799 -5.117 9.584 670 HG3 ARG 84 2HG ARG 84 8.250 -3.562 8.958 671 HD2 ARG 84 1HD ARG 84 10.455 -3.852 10.985 672 HD3 ARG 84 2HD ARG 84 10.738 -3.809 9.245 673 HE ARG 84 HE ARG 84 9.201 -1.566 9.981 674 HH11 ARG 84 1HH1 ARG 84 12.443 -2.860 10.318 675 HH12 ARG 84 2HH1 ARG 84 13.193 -1.294 10.419 676 HH21 ARG 84 1HH2 ARG 84 10.179 0.483 10.113 677 HH22 ARG 84 2HH2 ARG 84 11.902 0.614 10.309 678 H THR 85 H THR 85 4.617 -3.149 11.816 679 HA THR 85 HA THR 85 3.834 -5.036 13.861 680 HB THR 85 HB THR 85 5.488 -3.837 15.115 681 HG1 THR 85 HG1 THR 85 3.941 -4.083 16.555 682 HG21 THR 85 3HG2 THR 85 5.408 -1.409 15.454 683 HG22 THR 85 1HG2 THR 85 4.088 -1.296 14.290 684 HG23 THR 85 2HG2 THR 85 5.685 -1.827 13.762 685 HA PRO 86 HA PRO 86 0.147 -3.009 12.285 686 HB2 PRO 86 1HB PRO 86 -1.330 -5.212 12.038 687 HB3 PRO 86 2HB PRO 86 0.006 -4.880 10.930 688 HG2 PRO 86 1HG PRO 86 -0.155 -6.819 13.174 689 HG3 PRO 86 2HG PRO 86 0.754 -6.925 11.658 690 HD2 PRO 86 1HD PRO 86 1.739 -6.133 14.204 691 HD3 PRO 86 2HD PRO 86 2.601 -6.078 12.654 692 H ASP 87 H ASP 87 -2.256 -3.370 12.909 693 HA ASP 87 HA ASP 87 -2.520 -2.781 15.702 694 HB2 ASP 87 1HB ASP 87 -3.836 -1.632 13.954 695 HB3 ASP 87 2HB ASP 87 -4.622 -3.152 13.550 696 H ASN 88 H ASN 88 -2.565 -5.600 13.869 697 HA ASN 88 HA ASN 88 -4.562 -7.178 14.941 698 HB2 ASN 88 1HB ASN 88 -1.806 -8.014 14.025 699 HB3 ASN 88 2HB ASN 88 -3.139 -9.121 14.316 700 HD21 ASN 88 2HD2 ASN 88 -3.165 -9.870 12.239 701 HD22 ASN 88 1HD2 ASN 88 -3.716 -8.916 10.897 702 H GLU 89 H GLU 89 -1.318 -6.588 16.183 703 HA GLU 89 HA GLU 89 -1.774 -8.509 18.338 704 HB2 GLU 89 1HB GLU 89 0.713 -7.087 17.391 705 HB3 GLU 89 2HB GLU 89 0.668 -8.136 18.803 706 HG2 GLU 89 1HG GLU 89 -0.041 -8.985 16.006 707 HG3 GLU 89 2HG GLU 89 1.518 -9.255 16.784 708 H LEU 90 H LEU 90 -2.607 -5.464 17.961 709 HA LEU 90 HA LEU 90 -1.838 -4.710 20.700 710 HB2 LEU 90 1HB LEU 90 -2.262 -2.917 18.310 711 HB3 LEU 90 2HB LEU 90 -2.064 -2.340 19.953 712 HG LEU 90 HG LEU 90 0.006 -3.850 18.352 713 HD11 LEU 90 1HD1 LEU 90 -0.317 -1.566 17.577 714 HD12 LEU 90 2HD1 LEU 90 1.230 -1.732 18.407 715 HD13 LEU 90 3HD1 LEU 90 -0.135 -0.970 19.225 716 HD21 LEU 90 3HD2 LEU 90 0.146 -4.373 20.730 717 HD22 LEU 90 1HD2 LEU 90 0.155 -2.652 21.116 718 HD23 LEU 90 2HD2 LEU 90 1.502 -3.363 20.225 719 H GLU 91 H GLU 91 -3.473 -4.503 22.057 720 HA GLU 91 HA GLU 91 -6.178 -4.574 21.020 721 HB2 GLU 91 1HB GLU 91 -5.130 -4.542 23.854 722 HB3 GLU 91 2HB GLU 91 -6.837 -4.601 23.436 723 HG2 GLU 91 1HG GLU 91 -6.269 -6.701 22.114 724 HG3 GLU 91 2HG GLU 91 -4.727 -6.678 22.970 725 H HIS 92 H HIS 92 -7.598 -2.936 21.010 726 HA HIS 92 HA HIS 92 -6.606 -0.298 21.016 727 HB2 HIS 92 1HB HIS 92 -9.478 -1.256 21.110 728 HB3 HIS 92 2HB HIS 92 -8.961 0.382 20.713 729 HD1 HIS 92 HD1 HIS 92 -10.326 -2.163 18.939 730 HD2 HIS 92 HD2 HIS 92 -6.670 -0.226 18.524 731 HE1 HIS 92 HE1 HIS 92 -9.590 -2.597 16.573 732 HE2 HIS 92 HE2 HIS 92 -7.251 -1.661 16.455 733 H HIS 93 H HIS 93 -8.832 -1.936 23.260 734 HA HIS 93 HA HIS 93 -9.249 -1.662 25.484 735 HB2 HIS 93 1HB HIS 93 -6.916 -2.612 25.378 736 HB3 HIS 93 2HB HIS 93 -6.305 -0.981 25.605 737 HD1 HIS 93 HD1 HIS 93 -6.780 -3.897 27.462 738 HD2 HIS 93 HD2 HIS 93 -7.640 0.109 28.190 739 HE1 HIS 93 HE1 HIS 93 -6.999 -3.688 29.956 740 HE2 HIS 93 HE2 HIS 93 -7.318 -1.229 30.380 741 H HIS 94 H HIS 94 -6.658 0.619 25.807 742 HA HIS 94 HA HIS 94 -8.280 2.987 25.675 743 HB2 HIS 94 1HB HIS 94 -7.484 1.803 28.310 744 HB3 HIS 94 2HB HIS 94 -7.416 3.549 28.126 745 HD1 HIS 94 HD1 HIS 94 -9.500 1.365 29.675 746 HD2 HIS 94 HD2 HIS 94 -10.213 4.170 26.685 747 HE1 HIS 94 HE1 HIS 94 -11.957 1.884 29.800 748 HE2 HIS 94 HE2 HIS 94 -12.334 3.698 28.093 749 H HIS 95 H HIS 95 -6.983 4.741 25.262 750 HA HIS 95 HA HIS 95 -4.099 4.187 25.274 751 HB2 HIS 95 1HB HIS 95 -5.748 6.130 23.659 752 HB3 HIS 95 2HB HIS 95 -3.987 6.186 23.710 753 HD1 HIS 95 HD1 HIS 95 -6.134 5.310 21.310 754 HD2 HIS 95 HD2 HIS 95 -3.382 2.989 23.391 755 HE1 HIS 95 HE1 HIS 95 -5.690 3.315 19.851 756 HE2 HIS 95 HE2 HIS 95 -4.175 1.831 21.218 757 H HIS 96 H HIS 96 -3.011 4.949 26.885 758 HA HIS 96 HA HIS 96 -4.078 6.841 28.727 759 HB2 HIS 96 1HB HIS 96 -1.300 5.685 28.439 760 HB3 HIS 96 2HB HIS 96 -1.789 6.737 29.761 761 HD1 HIS 96 HD1 HIS 96 -1.374 3.301 29.017 762 HD2 HIS 96 HD2 HIS 96 -4.194 5.495 31.147 763 HE1 HIS 96 HE1 HIS 96 -2.486 1.661 30.559 764 HE2 HIS 96 HE2 HIS 96 -4.039 3.045 31.975 765 H HIS 97 H HIS 97 -3.970 8.969 28.725 766 HA HIS 97 HA HIS 97 -1.770 10.264 27.268 767 HB2 HIS 97 1HB HIS 97 -4.677 11.099 27.352 768 HB3 HIS 97 2HB HIS 97 -3.383 12.183 26.854 769 HD1 HIS 97 HD1 HIS 97 -5.708 9.739 25.545 770 HD2 HIS 97 HD2 HIS 97 -1.930 11.132 24.504 771 HE1 HIS 97 HE1 HIS 97 -5.373 9.068 23.143 772 HE2 HIS 97 HE2 HIS 97 -3.002 9.739 22.609 Start of MODEL 14 1 H1 MET 1 1H MET 1 10.836 -16.149 -4.932 2 H2 MET 1 2H MET 1 12.201 -16.555 -5.848 3 H3 MET 1 3H MET 1 11.521 -17.696 -4.789 4 HA MET 1 HA MET 1 10.270 -16.587 -7.230 5 HB2 MET 1 1HB MET 1 11.466 -19.271 -6.562 6 HB3 MET 1 2HB MET 1 10.320 -19.064 -7.880 7 HG2 MET 1 1HG MET 1 12.984 -17.695 -7.607 8 HG3 MET 1 2HG MET 1 12.595 -19.023 -8.700 9 HE1 MET 1 3HE MET 1 9.641 -18.205 -9.631 10 HE2 MET 1 1HE MET 1 10.880 -18.809 -10.730 11 HE3 MET 1 2HE MET 1 10.004 -17.329 -11.117 12 H ALA 2 H ALA 2 8.217 -16.231 -6.813 13 HA ALA 2 HA ALA 2 6.487 -18.363 -6.051 14 HB1 ALA 2 3HB ALA 2 5.558 -17.341 -4.026 15 HB2 ALA 2 1HB ALA 2 6.769 -16.061 -4.111 16 HB3 ALA 2 2HB ALA 2 7.266 -17.727 -3.812 17 HA PRO 3 HA PRO 3 3.728 -15.821 -8.470 18 HB2 PRO 3 1HB PRO 3 1.543 -16.880 -6.777 19 HB3 PRO 3 2HB PRO 3 1.759 -16.986 -8.526 20 HG2 PRO 3 1HG PRO 3 2.112 -19.123 -6.966 21 HG3 PRO 3 2HG PRO 3 3.147 -18.833 -8.378 22 HD2 PRO 3 1HD PRO 3 3.723 -18.363 -5.476 23 HD3 PRO 3 2HD PRO 3 4.781 -19.021 -6.741 24 H LEU 4 H LEU 4 3.764 -15.799 -5.008 25 HA LEU 4 HA LEU 4 2.311 -13.294 -4.810 26 HB2 LEU 4 1HB LEU 4 2.270 -15.210 -3.090 27 HB3 LEU 4 2HB LEU 4 3.864 -14.653 -2.622 28 HG LEU 4 HG LEU 4 2.952 -12.487 -1.987 29 HD11 LEU 4 1HD1 LEU 4 0.290 -13.684 -2.744 30 HD12 LEU 4 2HD1 LEU 4 1.117 -12.374 -3.589 31 HD13 LEU 4 3HD1 LEU 4 0.534 -12.133 -1.942 32 HD21 LEU 4 3HD2 LEU 4 1.675 -13.248 -0.041 33 HD22 LEU 4 1HD2 LEU 4 3.077 -14.278 -0.334 34 HD23 LEU 4 2HD2 LEU 4 1.467 -14.829 -0.798 35 H GLN 5 H GLN 5 3.428 -11.605 -5.589 36 HA GLN 5 HA GLN 5 6.306 -11.520 -5.430 37 HB2 GLN 5 1HB GLN 5 4.364 -9.428 -6.437 38 HB3 GLN 5 2HB GLN 5 6.102 -9.448 -6.706 39 HG2 GLN 5 1HG GLN 5 5.882 -11.532 -7.969 40 HG3 GLN 5 2HG GLN 5 4.141 -11.499 -7.710 41 HE21 GLN 5 2HE2 GLN 5 5.647 -11.500 -10.184 42 HE22 GLN 5 1HE2 GLN 5 5.162 -10.083 -11.048 43 H GLN 6 H GLN 6 7.411 -10.701 -3.789 44 HA GLN 6 HA GLN 6 6.151 -8.693 -2.063 45 HB2 GLN 6 1HB GLN 6 7.507 -11.213 -1.096 46 HB3 GLN 6 2HB GLN 6 7.005 -9.883 -0.065 47 HG2 GLN 6 1HG GLN 6 4.674 -10.286 -0.731 48 HG3 GLN 6 2HG GLN 6 5.208 -11.665 -1.694 49 HE21 GLN 6 2HE2 GLN 6 3.394 -11.583 0.594 50 HE22 GLN 6 1HE2 GLN 6 4.085 -12.630 1.784 51 H LYS 7 H LYS 7 7.489 -7.202 -1.225 52 HA LYS 7 HA LYS 7 10.204 -7.715 -0.583 53 HB2 LYS 7 1HB LYS 7 10.402 -7.238 -3.068 54 HB3 LYS 7 2HB LYS 7 9.794 -5.621 -2.736 55 HG2 LYS 7 1HG LYS 7 11.705 -5.294 -1.173 56 HG3 LYS 7 2HG LYS 7 12.339 -6.851 -1.697 57 HD2 LYS 7 1HD LYS 7 12.473 -5.986 -3.997 58 HD3 LYS 7 2HD LYS 7 11.881 -4.424 -3.426 59 HE2 LYS 7 1HE LYS 7 14.453 -5.797 -2.651 60 HE3 LYS 7 2HE LYS 7 14.280 -4.325 -3.605 61 HZ1 LYS 7 3HZ LYS 7 13.799 -4.699 -0.702 62 HZ2 LYS 7 1HZ LYS 7 13.173 -3.368 -1.547 63 HZ3 LYS 7 2HZ LYS 7 14.844 -3.607 -1.470 64 H GLN 8 H GLN 8 11.165 -5.736 0.468 65 HA GLN 8 HA GLN 8 9.178 -4.310 1.946 66 HB2 GLN 8 1HB GLN 8 11.379 -5.008 2.887 67 HB3 GLN 8 2HB GLN 8 12.168 -3.857 1.821 68 HG2 GLN 8 1HG GLN 8 11.157 -2.014 2.940 69 HG3 GLN 8 2HG GLN 8 10.118 -3.087 3.878 70 HE21 GLN 8 2HE2 GLN 8 10.850 -2.333 5.844 71 HE22 GLN 8 1HE2 GLN 8 12.431 -2.698 6.442 72 H VAL 9 H VAL 9 8.172 -2.552 1.310 73 HA VAL 9 HA VAL 9 9.408 -0.846 -0.757 74 HB VAL 9 HB VAL 9 7.084 -0.308 -1.506 75 HG11 VAL 9 1HG1 VAL 9 7.888 -3.213 -1.694 76 HG12 VAL 9 2HG1 VAL 9 8.450 -1.907 -2.739 77 HG13 VAL 9 3HG1 VAL 9 6.754 -2.390 -2.765 78 HG21 VAL 9 3HG2 VAL 9 6.336 -2.629 0.272 79 HG22 VAL 9 1HG2 VAL 9 5.265 -1.828 -0.878 80 HG23 VAL 9 2HG2 VAL 9 5.885 -0.941 0.514 81 H VAL 10 H VAL 10 8.049 1.315 -0.836 82 HA VAL 10 HA VAL 10 7.957 2.345 1.926 83 HB VAL 10 HB VAL 10 8.436 3.933 -0.599 84 HG11 VAL 10 1HG1 VAL 10 8.783 4.645 2.312 85 HG12 VAL 10 2HG1 VAL 10 7.519 5.238 1.233 86 HG13 VAL 10 3HG1 VAL 10 9.203 5.679 0.946 87 HG21 VAL 10 3HG2 VAL 10 10.471 2.949 1.400 88 HG22 VAL 10 1HG2 VAL 10 10.791 4.019 0.035 89 HG23 VAL 10 2HG2 VAL 10 10.274 2.356 -0.248 90 H VAL 11 H VAL 11 5.904 2.703 2.596 91 HA VAL 11 HA VAL 11 3.792 3.453 0.795 92 HB VAL 11 HB VAL 11 3.880 3.791 3.804 93 HG11 VAL 11 1HG1 VAL 11 2.096 5.049 2.738 94 HG12 VAL 11 2HG1 VAL 11 1.430 3.682 3.633 95 HG13 VAL 11 3HG1 VAL 11 1.564 3.604 1.877 96 HG21 VAL 11 3HG2 VAL 11 2.915 1.434 2.181 97 HG22 VAL 11 1HG2 VAL 11 2.754 1.618 3.929 98 HG23 VAL 11 2HG2 VAL 11 4.354 1.475 3.199 99 H SER 12 H SER 12 4.148 5.321 -0.297 100 HA SER 12 HA SER 12 5.905 7.285 0.891 101 HB2 SER 12 1HB SER 12 5.715 8.280 -1.474 102 HB3 SER 12 2HB SER 12 6.501 6.711 -1.298 103 HG SER 12 HG SER 12 4.834 6.954 -3.013 104 H ASN 13 H ASN 13 2.540 7.188 -0.231 105 HA ASN 13 HA ASN 13 1.932 9.593 1.215 106 HB2 ASN 13 1HB ASN 13 3.064 10.462 -0.850 107 HB3 ASN 13 2HB ASN 13 1.793 9.716 -1.808 108 HD21 ASN 13 2HD2 ASN 13 1.113 11.645 -2.663 109 HD22 ASN 13 1HD2 ASN 13 0.269 12.840 -1.732 110 H LYS 14 H LYS 14 -0.381 10.322 0.661 111 HA LYS 14 HA LYS 14 -2.053 7.999 -0.038 112 HB2 LYS 14 1HB LYS 14 -3.692 8.878 1.652 113 HB3 LYS 14 2HB LYS 14 -2.196 8.262 2.343 114 HG2 LYS 14 1HG LYS 14 -1.357 10.586 2.490 115 HG3 LYS 14 2HG LYS 14 -2.927 11.152 1.916 116 HD2 LYS 14 1HD LYS 14 -4.016 10.195 3.852 117 HD3 LYS 14 2HD LYS 14 -2.487 9.506 4.405 118 HE2 LYS 14 1HE LYS 14 -1.570 11.792 4.592 119 HE3 LYS 14 2HE LYS 14 -3.145 12.437 4.130 120 HZ1 LYS 14 3HZ LYS 14 -4.115 11.506 6.093 121 HZ2 LYS 14 1HZ LYS 14 -2.755 12.414 6.552 122 HZ3 LYS 14 2HZ LYS 14 -2.670 10.720 6.502 123 H ARG 15 H ARG 15 -3.873 8.435 -1.285 124 HA ARG 15 HA ARG 15 -4.383 11.213 -2.033 125 HB2 ARG 15 1HB ARG 15 -3.522 9.069 -3.970 126 HB3 ARG 15 2HB ARG 15 -4.401 10.500 -4.484 127 HG2 ARG 15 1HG ARG 15 -2.588 11.895 -3.528 128 HG3 ARG 15 2HG ARG 15 -1.694 10.418 -3.171 129 HD2 ARG 15 1HD ARG 15 -1.570 9.862 -5.502 130 HD3 ARG 15 2HD ARG 15 -2.636 11.201 -5.924 131 HE ARG 15 HE ARG 15 0.076 11.565 -4.805 132 HH11 ARG 15 1HH1 ARG 15 -2.472 12.421 -7.040 133 HH12 ARG 15 2HH1 ARG 15 -1.635 13.808 -7.671 134 HH21 ARG 15 1HH2 ARG 15 1.210 13.371 -5.654 135 HH22 ARG 15 2HH2 ARG 15 0.469 14.328 -6.909 136 H GLU 16 H GLU 16 -6.177 11.079 -3.908 137 HA GLU 16 HA GLU 16 -8.134 8.998 -3.326 138 HB2 GLU 16 1HB GLU 16 -8.689 10.814 -1.766 139 HB3 GLU 16 2HB GLU 16 -8.721 11.960 -3.099 140 HG2 GLU 16 1HG GLU 16 -10.559 10.535 -4.097 141 HG3 GLU 16 2HG GLU 16 -10.627 9.711 -2.541 142 H LYS 17 H LYS 17 -8.734 8.224 -5.245 143 HA LYS 17 HA LYS 17 -8.947 10.101 -7.505 144 HB2 LYS 17 1HB LYS 17 -8.559 7.100 -7.563 145 HB3 LYS 17 2HB LYS 17 -8.686 8.142 -8.973 146 HG2 LYS 17 1HG LYS 17 -6.628 9.263 -8.380 147 HG3 LYS 17 2HG LYS 17 -6.520 8.325 -6.889 148 HD2 LYS 17 1HD LYS 17 -6.496 6.257 -8.350 149 HD3 LYS 17 2HD LYS 17 -6.267 7.344 -9.722 150 HE2 LYS 17 1HE LYS 17 -4.204 8.153 -8.821 151 HE3 LYS 17 2HE LYS 17 -4.471 7.296 -7.303 152 HZ1 LYS 17 3HZ LYS 17 -2.949 6.013 -8.520 153 HZ2 LYS 17 1HZ LYS 17 -3.844 6.136 -9.958 154 HZ3 LYS 17 2HZ LYS 17 -4.431 5.204 -8.667 155 HA PRO 18 HA PRO 18 -13.325 9.405 -7.402 156 HB2 PRO 18 1HB PRO 18 -13.381 10.139 -10.235 157 HB3 PRO 18 2HB PRO 18 -14.060 10.993 -8.847 158 HG2 PRO 18 1HG PRO 18 -11.924 11.922 -10.210 159 HG3 PRO 18 2HG PRO 18 -12.133 12.187 -8.468 160 HD2 PRO 18 1HD PRO 18 -10.408 10.191 -9.890 161 HD3 PRO 18 2HD PRO 18 -10.047 11.172 -8.453 162 H VAL 19 H VAL 19 -13.891 7.312 -7.335 163 HA VAL 19 HA VAL 19 -13.146 5.422 -9.344 164 HB VAL 19 HB VAL 19 -15.168 5.121 -7.116 165 HG11 VAL 19 1HG1 VAL 19 -13.747 3.045 -8.782 166 HG12 VAL 19 2HG1 VAL 19 -15.463 3.449 -8.857 167 HG13 VAL 19 3HG1 VAL 19 -14.792 2.712 -7.401 168 HG21 VAL 19 3HG2 VAL 19 -12.972 5.692 -6.241 169 HG22 VAL 19 1HG2 VAL 19 -12.238 4.405 -7.198 170 HG23 VAL 19 2HG2 VAL 19 -13.356 4.007 -5.893 171 H ASN 20 H ASN 20 -14.102 5.152 -11.227 172 HA ASN 20 HA ASN 20 -16.692 6.327 -11.765 173 HB2 ASN 20 1HB ASN 20 -14.866 6.522 -13.412 174 HB3 ASN 20 2HB ASN 20 -14.835 4.768 -13.578 175 HD21 ASN 20 2HD2 ASN 20 -15.326 4.769 -15.727 176 HD22 ASN 20 1HD2 ASN 20 -16.880 5.227 -16.346 177 H ASP 21 H ASP 21 -15.252 3.076 -12.104 178 HA ASP 21 HA ASP 21 -17.736 1.785 -12.578 179 HB2 ASP 21 1HB ASP 21 -15.095 0.635 -11.645 180 HB3 ASP 21 2HB ASP 21 -16.477 -0.321 -12.167 181 H ARG 22 H ARG 22 -19.214 2.229 -11.024 182 HA ARG 22 HA ARG 22 -18.560 1.381 -8.280 183 HB2 ARG 22 1HB ARG 22 -20.504 3.532 -9.148 184 HB3 ARG 22 2HB ARG 22 -20.189 3.042 -7.488 185 HG2 ARG 22 1HG ARG 22 -17.915 3.835 -7.643 186 HG3 ARG 22 2HG ARG 22 -18.142 4.230 -9.347 187 HD2 ARG 22 1HD ARG 22 -19.541 5.495 -6.995 188 HD3 ARG 22 2HD ARG 22 -18.309 6.237 -8.013 189 HE ARG 22 HE ARG 22 -21.091 5.695 -8.754 190 HH11 ARG 22 1HH1 ARG 22 -17.955 7.000 -9.614 191 HH12 ARG 22 2HH1 ARG 22 -18.575 7.946 -10.928 192 HH21 ARG 22 1HH2 ARG 22 -21.906 6.935 -10.471 193 HH22 ARG 22 2HH2 ARG 22 -20.832 7.901 -11.430 194 H ARG 23 H ARG 23 -20.522 0.770 -7.012 195 HA ARG 23 HA ARG 23 -22.136 -1.090 -8.560 196 HB2 ARG 23 1HB ARG 23 -21.819 -0.644 -5.586 197 HB3 ARG 23 2HB ARG 23 -22.881 -1.858 -6.285 198 HG2 ARG 23 1HG ARG 23 -21.065 -3.084 -7.162 199 HG3 ARG 23 2HG ARG 23 -19.934 -1.765 -6.857 200 HD2 ARG 23 1HD ARG 23 -19.702 -3.581 -5.221 201 HD3 ARG 23 2HD ARG 23 -20.179 -2.060 -4.470 202 HE ARG 23 HE ARG 23 -22.475 -3.605 -5.069 203 HH11 ARG 23 1HH1 ARG 23 -19.740 -3.529 -2.868 204 HH12 ARG 23 2HH1 ARG 23 -20.607 -4.307 -1.574 205 HH21 ARG 23 1HH2 ARG 23 -23.595 -4.629 -3.394 206 HH22 ARG 23 2HH2 ARG 23 -22.810 -4.943 -1.875 207 H SER 24 H SER 24 -22.416 2.004 -8.180 208 HA SER 24 HA SER 24 -25.331 1.955 -7.812 209 HB2 SER 24 1HB SER 24 -24.037 2.930 -5.830 210 HB3 SER 24 2HB SER 24 -23.569 4.244 -6.907 211 HG SER 24 HG SER 24 -25.624 4.950 -6.986 212 H ARG 25 H ARG 25 -23.855 1.718 -10.204 213 HA ARG 25 HA ARG 25 -23.967 2.427 -12.354 214 HB2 ARG 25 1HB ARG 25 -25.688 4.625 -11.203 215 HB3 ARG 25 2HB ARG 25 -25.393 4.404 -12.922 216 HG2 ARG 25 1HG ARG 25 -26.637 2.458 -13.021 217 HG3 ARG 25 2HG ARG 25 -26.490 2.156 -11.287 218 HD2 ARG 25 1HD ARG 25 -28.059 4.414 -12.529 219 HD3 ARG 25 2HD ARG 25 -28.754 2.899 -11.945 220 HE ARG 25 HE ARG 25 -27.523 3.702 -9.754 221 HH11 ARG 25 1HH1 ARG 25 -29.477 5.534 -12.000 222 HH12 ARG 25 2HH1 ARG 25 -29.972 6.705 -10.818 223 HH21 ARG 25 1HH2 ARG 25 -28.159 5.242 -8.193 224 HH22 ARG 25 2HH2 ARG 25 -29.228 6.534 -8.642 225 H GLN 26 H GLN 26 -23.203 4.178 -13.821 226 HA GLN 26 HA GLN 26 -20.934 5.528 -12.531 227 HB2 GLN 26 1HB GLN 26 -21.421 4.829 -15.432 228 HB3 GLN 26 2HB GLN 26 -19.994 5.656 -14.824 229 HG2 GLN 26 1HG GLN 26 -19.444 3.693 -13.470 230 HG3 GLN 26 2HG GLN 26 -20.865 2.866 -14.108 231 HE21 GLN 26 2HE2 GLN 26 -18.023 2.190 -14.291 232 HE22 GLN 26 1HE2 GLN 26 -17.675 2.055 -15.978 233 H GLN 27 H GLN 27 -23.587 6.062 -14.803 234 HA GLN 27 HA GLN 27 -22.985 8.855 -15.094 235 HB2 GLN 27 1HB GLN 27 -24.034 7.651 -16.930 236 HB3 GLN 27 2HB GLN 27 -25.410 7.247 -15.916 237 HG2 GLN 27 1HG GLN 27 -25.814 9.084 -17.546 238 HG3 GLN 27 2HG GLN 27 -26.145 9.506 -15.869 239 HE21 GLN 27 2HE2 GLN 27 -24.971 11.079 -14.884 240 HE22 GLN 27 1HE2 GLN 27 -23.802 12.065 -15.703 241 H GLU 28 H GLU 28 -22.993 9.741 -13.094 242 HA GLU 28 HA GLU 28 -25.634 10.325 -12.001 243 HB2 GLU 28 1HB GLU 28 -23.313 9.180 -10.456 244 HB3 GLU 28 2HB GLU 28 -24.536 10.164 -9.666 245 HG2 GLU 28 1HG GLU 28 -25.182 7.691 -11.245 246 HG3 GLU 28 2HG GLU 28 -24.857 7.681 -9.511 247 H VAL 29 H VAL 29 -25.701 12.328 -10.843 248 HA VAL 29 HA VAL 29 -24.043 14.348 -11.887 249 HB VAL 29 HB VAL 29 -25.781 14.446 -9.413 250 HG11 VAL 29 1HG1 VAL 29 -25.761 16.875 -9.721 251 HG12 VAL 29 2HG1 VAL 29 -24.621 16.696 -11.055 252 HG13 VAL 29 3HG1 VAL 29 -24.140 16.250 -9.418 253 HG21 VAL 29 3HG2 VAL 29 -27.034 13.863 -11.419 254 HG22 VAL 29 1HG2 VAL 29 -26.355 15.257 -12.262 255 HG23 VAL 29 2HG2 VAL 29 -27.433 15.498 -10.888 256 H SER 30 H SER 30 -23.937 12.574 -8.853 257 HA SER 30 HA SER 30 -21.557 14.002 -8.001 258 HB2 SER 30 1HB SER 30 -21.747 12.363 -6.034 259 HB3 SER 30 2HB SER 30 -23.044 13.542 -6.216 260 HG SER 30 HG SER 30 -23.099 10.794 -6.453 261 HA PRO 31 HA PRO 31 -19.340 10.714 -10.123 262 HB2 PRO 31 1HB PRO 31 -17.217 12.219 -10.842 263 HB3 PRO 31 2HB PRO 31 -18.771 12.311 -11.673 264 HG2 PRO 31 1HG PRO 31 -17.502 14.249 -9.863 265 HG3 PRO 31 2HG PRO 31 -18.773 14.501 -11.069 266 HD2 PRO 31 1HD PRO 31 -19.048 14.189 -8.220 267 HD3 PRO 31 2HD PRO 31 -20.315 14.494 -9.422 268 H ALA 32 H ALA 32 -18.786 12.093 -7.179 269 HA ALA 32 HA ALA 32 -16.315 10.543 -6.790 270 HB1 ALA 32 3HB ALA 32 -15.881 12.953 -6.681 271 HB2 ALA 32 1HB ALA 32 -15.596 12.165 -5.130 272 HB3 ALA 32 2HB ALA 32 -17.068 13.102 -5.385 273 H GLY 33 H GLY 33 -18.562 12.173 -4.550 274 HA2 GLY 33 1HA GLY 33 -20.106 11.066 -3.121 275 HA3 GLY 33 2HA GLY 33 -19.267 9.552 -3.432 276 H THR 34 H THR 34 -19.607 9.618 -0.970 277 HA THR 34 HA THR 34 -18.202 11.332 0.712 278 HB THR 34 HB THR 34 -18.659 8.415 1.316 279 HG1 THR 34 HG1 THR 34 -20.518 10.570 1.133 280 HG21 THR 34 3HG2 THR 34 -19.080 9.266 3.582 281 HG22 THR 34 1HG2 THR 34 -18.783 10.911 3.019 282 HG23 THR 34 2HG2 THR 34 -17.475 9.729 3.015 283 H SER 35 H SER 35 -16.144 11.394 1.494 284 HA SER 35 HA SER 35 -14.153 9.836 0.088 285 HB2 SER 35 1HB SER 35 -13.900 12.072 2.111 286 HB3 SER 35 2HB SER 35 -12.536 11.307 1.294 287 HG SER 35 HG SER 35 -13.101 12.207 -0.578 288 H MET 36 H MET 36 -15.357 7.971 1.345 289 HA MET 36 HA MET 36 -13.813 7.397 3.781 290 HB2 MET 36 1HB MET 36 -16.239 6.037 2.591 291 HB3 MET 36 2HB MET 36 -15.361 5.421 3.983 292 HG2 MET 36 1HG MET 36 -16.747 8.088 3.828 293 HG3 MET 36 2HG MET 36 -17.375 6.645 4.624 294 HE1 MET 36 3HE MET 36 -14.864 6.164 7.579 295 HE2 MET 36 1HE MET 36 -14.805 5.410 5.986 296 HE3 MET 36 2HE MET 36 -16.348 5.590 6.819 297 H ARG 37 H ARG 37 -13.552 7.149 0.593 298 HA ARG 37 HA ARG 37 -12.191 4.552 0.649 299 HB2 ARG 37 1HB ARG 37 -12.524 4.893 -1.978 300 HB3 ARG 37 2HB ARG 37 -13.750 4.145 -0.969 301 HG2 ARG 37 1HG ARG 37 -14.968 5.640 -2.249 302 HG3 ARG 37 2HG ARG 37 -14.714 6.531 -0.749 303 HD2 ARG 37 1HD ARG 37 -12.651 7.509 -1.922 304 HD3 ARG 37 2HD ARG 37 -13.367 6.889 -3.406 305 HE ARG 37 HE ARG 37 -15.202 8.481 -1.890 306 HH11 ARG 37 1HH1 ARG 37 -12.603 8.565 -4.235 307 HH12 ARG 37 2HH1 ARG 37 -12.979 10.170 -4.791 308 HH21 ARG 37 1HH2 ARG 37 -15.700 10.610 -2.621 309 HH22 ARG 37 2HH2 ARG 37 -14.725 11.325 -3.864 310 H TYR 38 H TYR 38 -10.188 5.217 1.251 311 HA TYR 38 HA TYR 38 -8.943 7.436 -0.195 312 HB2 TYR 38 1HB TYR 38 -7.790 5.883 2.131 313 HB3 TYR 38 2HB TYR 38 -7.291 7.463 1.540 314 HD1 TYR 38 HD2 TYR 38 -8.857 9.424 1.854 315 HD2 TYR 38 HD1 TYR 38 -9.477 5.667 3.753 316 HE1 TYR 38 HE2 TYR 38 -10.371 10.494 3.469 317 HE2 TYR 38 HE1 TYR 38 -10.994 6.725 5.370 318 HH TYR 38 HH TYR 38 -12.277 9.798 4.932 319 H GLU 39 H GLU 39 -6.609 7.089 -0.825 320 HA GLU 39 HA GLU 39 -6.015 4.275 -1.403 321 HB2 GLU 39 1HB GLU 39 -5.615 6.571 -3.328 322 HB3 GLU 39 2HB GLU 39 -5.032 4.932 -3.571 323 HG2 GLU 39 1HG GLU 39 -7.516 4.270 -3.311 324 HG3 GLU 39 2HG GLU 39 -7.822 5.974 -3.661 325 H ALA 40 H ALA 40 -3.825 3.743 -1.453 326 HA ALA 40 HA ALA 40 -2.050 5.799 -0.305 327 HB1 ALA 40 3HB ALA 40 -0.882 4.022 0.886 328 HB2 ALA 40 1HB ALA 40 -1.985 2.825 0.206 329 HB3 ALA 40 2HB ALA 40 -2.592 4.049 1.321 330 H SER 41 H SER 41 -0.048 6.027 -1.155 331 HA SER 41 HA SER 41 0.406 4.711 -3.724 332 HB2 SER 41 1HB SER 41 0.510 7.224 -3.500 333 HB3 SER 41 2HB SER 41 1.932 7.017 -2.479 334 HG SER 41 HG SER 41 3.099 6.706 -4.203 335 H PHE 42 H PHE 42 1.672 2.995 -3.785 336 HA PHE 42 HA PHE 42 3.690 2.639 -1.678 337 HB2 PHE 42 1HB PHE 42 2.448 0.660 -3.604 338 HB3 PHE 42 2HB PHE 42 3.751 0.265 -2.487 339 HD1 PHE 42 HD2 PHE 42 0.203 1.153 -2.774 340 HD2 PHE 42 HD1 PHE 42 3.338 -0.014 -0.146 341 HE1 PHE 42 HE2 PHE 42 -1.454 0.667 -1.020 342 HE2 PHE 42 HE1 PHE 42 1.688 -0.502 1.612 343 HZ PHE 42 HZ PHE 42 -0.711 -0.160 1.177 344 H LYS 43 H LYS 43 5.629 3.257 -2.165 345 HA LYS 43 HA LYS 43 6.439 3.487 -4.963 346 HB2 LYS 43 1HB LYS 43 6.691 5.394 -3.322 347 HB3 LYS 43 2HB LYS 43 7.905 4.430 -2.495 348 HG2 LYS 43 1HG LYS 43 9.210 4.369 -4.610 349 HG3 LYS 43 2HG LYS 43 8.032 5.482 -5.310 350 HD2 LYS 43 1HD LYS 43 8.536 7.030 -3.380 351 HD3 LYS 43 2HD LYS 43 9.891 5.968 -2.992 352 HE2 LYS 43 1HE LYS 43 9.458 7.524 -5.535 353 HE3 LYS 43 2HE LYS 43 10.698 7.800 -4.315 354 HZ1 LYS 43 3HZ LYS 43 10.476 5.410 -6.066 355 HZ2 LYS 43 1HZ LYS 43 11.655 5.637 -4.866 356 HZ3 LYS 43 2HZ LYS 43 11.610 6.658 -6.217 357 HA PRO 44 HA PRO 44 8.725 -0.320 -4.289 358 HB2 PRO 44 1HB PRO 44 9.434 -0.112 -7.104 359 HB3 PRO 44 2HB PRO 44 8.420 -1.316 -6.303 360 HG2 PRO 44 1HG PRO 44 7.435 0.537 -8.032 361 HG3 PRO 44 2HG PRO 44 6.491 -0.147 -6.697 362 HD2 PRO 44 1HD PRO 44 7.891 2.494 -6.871 363 HD3 PRO 44 2HD PRO 44 6.305 2.099 -6.171 364 H LEU 45 H LEU 45 10.856 -0.668 -3.872 365 HA LEU 45 HA LEU 45 12.736 1.463 -4.200 366 HB2 LEU 45 1HB LEU 45 13.171 -1.412 -3.370 367 HB3 LEU 45 2HB LEU 45 14.372 -0.137 -3.262 368 HG LEU 45 HG LEU 45 11.760 -0.227 -1.747 369 HD11 LEU 45 1HD1 LEU 45 14.596 -0.590 -0.798 370 HD12 LEU 45 2HD1 LEU 45 13.375 -1.855 -0.931 371 HD13 LEU 45 3HD1 LEU 45 13.158 -0.539 0.222 372 HD21 LEU 45 3HD2 LEU 45 14.025 1.761 -1.632 373 HD22 LEU 45 1HD2 LEU 45 12.631 1.723 -0.550 374 HD23 LEU 45 2HD2 LEU 45 12.407 2.058 -2.268 375 H ASN 46 H ASN 46 11.658 -1.116 -6.107 376 HA ASN 46 HA ASN 46 13.884 -1.046 -7.950 377 HB2 ASN 46 1HB ASN 46 12.343 -3.062 -7.600 378 HB3 ASN 46 2HB ASN 46 11.106 -2.148 -8.455 379 HD21 ASN 46 2HD2 ASN 46 12.321 -4.668 -9.185 380 HD22 ASN 46 1HD2 ASN 46 13.062 -4.433 -10.732 381 H GLY 47 H GLY 47 14.170 0.814 -8.974 382 HA2 GLY 47 1HA GLY 47 12.596 3.007 -9.071 383 HA3 GLY 47 2HA GLY 47 13.785 2.646 -10.306 384 H GLY 48 H GLY 48 10.537 3.121 -9.616 385 HA2 GLY 48 1HA GLY 48 9.781 2.902 -12.363 386 HA3 GLY 48 2HA GLY 48 9.114 1.593 -11.397 387 H LEU 49 H LEU 49 7.033 2.512 -12.009 388 HA LEU 49 HA LEU 49 6.353 5.107 -10.904 389 HB2 LEU 49 1HB LEU 49 5.476 4.387 -13.097 390 HB3 LEU 49 2HB LEU 49 4.635 3.063 -12.315 391 HG LEU 49 HG LEU 49 3.279 4.715 -11.047 392 HD11 LEU 49 1HD1 LEU 49 4.648 6.721 -12.831 393 HD12 LEU 49 2HD1 LEU 49 4.847 6.578 -11.086 394 HD13 LEU 49 3HD1 LEU 49 3.287 7.049 -11.759 395 HD21 LEU 49 3HD2 LEU 49 2.423 3.726 -13.099 396 HD22 LEU 49 1HD2 LEU 49 3.197 4.993 -14.048 397 HD23 LEU 49 2HD2 LEU 49 1.886 5.397 -12.938 398 H GLU 50 H GLU 50 5.003 5.479 -9.199 399 HA GLU 50 HA GLU 50 4.785 3.472 -7.185 400 HB2 GLU 50 1HB GLU 50 3.536 6.217 -7.390 401 HB3 GLU 50 2HB GLU 50 3.519 5.212 -5.950 402 HG2 GLU 50 1HG GLU 50 5.890 5.373 -5.729 403 HG3 GLU 50 2HG GLU 50 6.027 6.187 -7.288 404 H LYS 51 H LYS 51 3.021 2.295 -6.553 405 HA LYS 51 HA LYS 51 0.706 2.398 -8.358 406 HB2 LYS 51 1HB LYS 51 1.736 0.218 -6.543 407 HB3 LYS 51 2HB LYS 51 0.151 0.151 -7.301 408 HG2 LYS 51 1HG LYS 51 1.320 0.391 -9.517 409 HG3 LYS 51 2HG LYS 51 2.838 0.151 -8.645 410 HD2 LYS 51 1HD LYS 51 2.154 -2.029 -7.922 411 HD3 LYS 51 2HD LYS 51 0.522 -1.779 -8.544 412 HE2 LYS 51 1HE LYS 51 1.625 -3.158 -10.113 413 HE3 LYS 51 2HE LYS 51 1.555 -1.552 -10.831 414 HZ1 LYS 51 3HZ LYS 51 3.893 -2.915 -9.626 415 HZ2 LYS 51 1HZ LYS 51 3.881 -1.245 -9.935 416 HZ3 LYS 51 2HZ LYS 51 3.710 -2.343 -11.212 417 H THR 52 H THR 52 -1.174 3.158 -7.665 418 HA THR 52 HA THR 52 -1.433 3.822 -4.820 419 HB THR 52 HB THR 52 -3.506 4.690 -6.762 420 HG1 THR 52 HG1 THR 52 -0.779 5.347 -6.972 421 HG21 THR 52 3HG2 THR 52 -3.446 5.372 -4.365 422 HG22 THR 52 1HG2 THR 52 -3.412 6.733 -5.486 423 HG23 THR 52 2HG2 THR 52 -1.930 6.210 -4.686 424 H PHE 53 H PHE 53 -2.413 2.288 -3.644 425 HA PHE 53 HA PHE 53 -4.536 0.693 -4.906 426 HB2 PHE 53 1HB PHE 53 -2.790 0.142 -2.505 427 HB3 PHE 53 2HB PHE 53 -4.194 -0.839 -2.916 428 HD1 PHE 53 HD1 PHE 53 -4.230 -1.955 -5.201 429 HD2 PHE 53 HD2 PHE 53 -0.718 -0.277 -3.485 430 HE1 PHE 53 HE1 PHE 53 -2.848 -3.319 -6.713 431 HE2 PHE 53 HE2 PHE 53 0.671 -1.636 -4.994 432 HZ PHE 53 HZ PHE 53 -0.393 -3.159 -6.610 433 H ARG 54 H ARG 54 -6.552 0.667 -4.121 434 HA ARG 54 HA ARG 54 -7.380 2.828 -2.457 435 HB2 ARG 54 1HB ARG 54 -8.746 2.012 -4.326 436 HB3 ARG 54 2HB ARG 54 -8.937 0.463 -3.517 437 HG2 ARG 54 1HG ARG 54 -9.828 2.175 -1.604 438 HG3 ARG 54 2HG ARG 54 -10.325 3.002 -3.083 439 HD2 ARG 54 1HD ARG 54 -12.085 1.519 -2.332 440 HD3 ARG 54 2HD ARG 54 -11.408 0.932 -3.852 441 HE ARG 54 HE ARG 54 -10.185 -0.230 -1.526 442 HH11 ARG 54 1HH1 ARG 54 -12.851 -0.501 -3.781 443 HH12 ARG 54 2HH1 ARG 54 -13.088 -2.197 -3.488 444 HH21 ARG 54 1HH2 ARG 54 -10.504 -2.464 -1.140 445 HH22 ARG 54 2HH2 ARG 54 -11.772 -3.300 -1.993 446 H LEU 55 H LEU 55 -7.686 2.877 -0.352 447 HA LEU 55 HA LEU 55 -7.945 0.353 1.138 448 HB2 LEU 55 1HB LEU 55 -6.197 2.710 1.850 449 HB3 LEU 55 2HB LEU 55 -6.551 1.382 2.937 450 HG LEU 55 HG LEU 55 -5.093 1.120 0.305 451 HD11 LEU 55 1HD1 LEU 55 -4.054 1.059 3.134 452 HD12 LEU 55 2HD1 LEU 55 -3.780 2.341 1.953 453 HD13 LEU 55 3HD1 LEU 55 -3.112 0.733 1.677 454 HD21 LEU 55 3HD2 LEU 55 -6.331 -0.892 0.911 455 HD22 LEU 55 1HD2 LEU 55 -5.587 -0.877 2.509 456 HD23 LEU 55 2HD2 LEU 55 -4.594 -1.147 1.078 457 H GLN 56 H GLN 56 -9.414 0.388 2.775 458 HA GLN 56 HA GLN 56 -11.253 2.580 2.920 459 HB2 GLN 56 1HB GLN 56 -11.741 0.073 3.238 460 HB3 GLN 56 2HB GLN 56 -11.074 0.269 4.852 461 HG2 GLN 56 1HG GLN 56 -12.790 2.054 5.240 462 HG3 GLN 56 2HG GLN 56 -13.524 1.583 3.706 463 HE21 GLN 56 2HE2 GLN 56 -14.680 1.468 6.349 464 HE22 GLN 56 1HE2 GLN 56 -15.053 -0.194 6.666 465 H ALA 57 H ALA 57 -11.823 3.583 5.074 466 HA ALA 57 HA ALA 57 -9.705 4.938 6.240 467 HB1 ALA 57 3HB ALA 57 -12.048 5.646 6.409 468 HB2 ALA 57 1HB ALA 57 -11.262 5.596 7.988 469 HB3 ALA 57 2HB ALA 57 -12.365 4.306 7.513 470 H GLN 58 H GLN 58 -11.254 1.936 7.229 471 HA GLN 58 HA GLN 58 -9.871 1.592 9.663 472 HB2 GLN 58 1HB GLN 58 -11.943 0.400 9.096 473 HB3 GLN 58 2HB GLN 58 -11.100 -0.466 7.819 474 HG2 GLN 58 1HG GLN 58 -9.646 -1.501 9.505 475 HG3 GLN 58 2HG GLN 58 -10.547 -0.667 10.770 476 HE21 GLN 58 2HE2 GLN 58 -10.177 -3.521 10.270 477 HE22 GLN 58 1HE2 GLN 58 -11.771 -4.188 10.109 478 H GLN 59 H GLN 59 -9.078 0.830 6.339 479 HA GLN 59 HA GLN 59 -6.903 -0.922 6.974 480 HB2 GLN 59 1HB GLN 59 -7.590 0.494 4.392 481 HB3 GLN 59 2HB GLN 59 -6.351 -0.742 4.563 482 HG2 GLN 59 1HG GLN 59 -9.311 -1.092 4.967 483 HG3 GLN 59 2HG GLN 59 -8.344 -1.708 3.627 484 HE21 GLN 59 2HE2 GLN 59 -10.015 -3.180 5.481 485 HE22 GLN 59 1HE2 GLN 59 -8.973 -4.309 6.285 486 H TYR 60 H TYR 60 -7.215 2.468 6.021 487 HA TYR 60 HA TYR 60 -4.439 3.050 6.049 488 HB2 TYR 60 1HB TYR 60 -5.938 4.544 4.898 489 HB3 TYR 60 2HB TYR 60 -6.874 4.820 6.362 490 HD1 TYR 60 HD2 TYR 60 -3.513 5.374 4.856 491 HD2 TYR 60 HD1 TYR 60 -6.338 6.584 7.801 492 HE1 TYR 60 HE2 TYR 60 -2.108 7.318 5.399 493 HE2 TYR 60 HE1 TYR 60 -4.941 8.530 8.351 494 HH TYR 60 HH TYR 60 -2.522 9.168 8.173 495 H HIS 61 H HIS 61 -6.779 2.603 8.506 496 HA HIS 61 HA HIS 61 -5.406 4.062 10.560 497 HB2 HIS 61 1HB HIS 61 -7.926 3.443 10.395 498 HB3 HIS 61 2HB HIS 61 -7.428 1.893 11.060 499 HD1 HIS 61 HD1 HIS 61 -7.285 1.758 13.538 500 HD2 HIS 61 HD2 HIS 61 -7.279 5.680 12.160 501 HE1 HIS 61 HE1 HIS 61 -7.406 3.201 15.597 502 HE2 HIS 61 HE2 HIS 61 -7.609 5.561 14.718 503 H ALA 62 H ALA 62 -4.778 1.203 8.993 504 HA ALA 62 HA ALA 62 -3.526 -0.063 11.321 505 HB1 ALA 62 3HB ALA 62 -3.267 -2.032 9.901 506 HB2 ALA 62 1HB ALA 62 -3.933 -1.141 8.533 507 HB3 ALA 62 2HB ALA 62 -4.945 -1.493 9.933 508 H LEU 63 H LEU 63 -2.660 0.512 7.894 509 HA LEU 63 HA LEU 63 0.152 0.499 8.636 510 HB2 LEU 63 1HB LEU 63 0.555 0.653 6.185 511 HB3 LEU 63 2HB LEU 63 -0.367 -0.751 6.675 512 HG LEU 63 HG LEU 63 -2.425 0.777 6.033 513 HD11 LEU 63 1HD1 LEU 63 -1.936 2.192 4.103 514 HD12 LEU 63 2HD1 LEU 63 -0.210 1.909 4.333 515 HD13 LEU 63 3HD1 LEU 63 -1.131 2.780 5.560 516 HD21 LEU 63 3HD2 LEU 63 -2.372 -0.207 3.798 517 HD22 LEU 63 1HD2 LEU 63 -1.878 -1.371 5.026 518 HD23 LEU 63 2HD2 LEU 63 -0.664 -0.596 4.009 519 H THR 64 H THR 64 1.602 2.225 8.086 520 HA THR 64 HA THR 64 0.253 4.845 8.056 521 HB THR 64 HB THR 64 2.796 4.223 9.572 522 HG1 THR 64 HG1 THR 64 0.073 4.037 10.330 523 HG21 THR 64 3HG2 THR 64 2.456 6.583 8.994 524 HG22 THR 64 1HG2 THR 64 2.296 6.325 10.732 525 HG23 THR 64 2HG2 THR 64 0.855 6.536 9.735 526 H VAL 65 H VAL 65 1.325 6.533 6.975 527 HA VAL 65 HA VAL 65 2.898 5.840 4.740 528 HB VAL 65 HB VAL 65 2.382 8.529 6.021 529 HG11 VAL 65 1HG1 VAL 65 3.635 7.924 3.345 530 HG12 VAL 65 2HG1 VAL 65 4.453 8.628 4.739 531 HG13 VAL 65 3HG1 VAL 65 3.170 9.523 3.926 532 HG21 VAL 65 3HG2 VAL 65 0.392 7.449 5.149 533 HG22 VAL 65 1HG2 VAL 65 1.196 7.173 3.602 534 HG23 VAL 65 2HG2 VAL 65 0.835 8.818 4.129 535 H GLY 66 H GLY 66 5.032 5.694 4.450 536 HA2 GLY 66 1HA GLY 66 7.310 6.169 4.928 537 HA3 GLY 66 2HA GLY 66 6.844 6.656 6.552 538 H ASP 67 H ASP 67 5.117 3.970 6.116 539 HA ASP 67 HA ASP 67 6.869 2.391 7.727 540 HB2 ASP 67 1HB ASP 67 4.270 2.389 7.687 541 HB3 ASP 67 2HB ASP 67 4.449 1.287 6.326 542 H GLN 68 H GLN 68 8.718 1.969 6.594 543 HA GLN 68 HA GLN 68 8.715 0.663 4.053 544 HB2 GLN 68 1HB GLN 68 10.858 0.772 6.185 545 HB3 GLN 68 2HB GLN 68 11.088 0.161 4.554 546 HG2 GLN 68 1HG GLN 68 10.632 2.365 3.644 547 HG3 GLN 68 2HG GLN 68 10.347 2.988 5.270 548 HE21 GLN 68 2HE2 GLN 68 12.352 3.747 3.244 549 HE22 GLN 68 1HE2 GLN 68 13.887 3.564 4.029 550 H GLY 69 H GLY 69 7.835 -1.291 3.805 551 HA2 GLY 69 1HA GLY 69 8.692 -3.495 5.461 552 HA3 GLY 69 2HA GLY 69 7.003 -3.058 5.687 553 H THR 70 H THR 70 7.189 -5.488 4.875 554 HA THR 70 HA THR 70 7.703 -5.823 2.079 555 HB THR 70 HB THR 70 6.508 -8.114 2.658 556 HG1 THR 70 HG1 THR 70 6.064 -6.970 4.852 557 HG21 THR 70 3HG2 THR 70 8.868 -7.860 2.072 558 HG22 THR 70 1HG2 THR 70 8.674 -8.980 3.420 559 HG23 THR 70 2HG2 THR 70 9.231 -7.333 3.715 560 H LEU 71 H LEU 71 6.293 -6.115 0.423 561 HA LEU 71 HA LEU 71 3.451 -5.605 1.007 562 HB2 LEU 71 1HB LEU 71 4.597 -3.787 -0.228 563 HB3 LEU 71 2HB LEU 71 5.003 -4.926 -1.495 564 HG LEU 71 HG LEU 71 2.598 -5.241 -1.962 565 HD11 LEU 71 1HD1 LEU 71 1.718 -4.739 0.250 566 HD12 LEU 71 2HD1 LEU 71 0.973 -3.705 -0.969 567 HD13 LEU 71 3HD1 LEU 71 2.231 -3.060 0.086 568 HD21 LEU 71 3HD2 LEU 71 2.232 -3.058 -2.994 569 HD22 LEU 71 1HD2 LEU 71 3.895 -3.602 -3.217 570 HD23 LEU 71 2HD2 LEU 71 3.524 -2.371 -2.008 571 H SER 72 H SER 72 2.164 -7.234 0.606 572 HA SER 72 HA SER 72 3.102 -9.481 -1.051 573 HB2 SER 72 1HB SER 72 2.438 -9.883 1.332 574 HB3 SER 72 2HB SER 72 0.810 -9.337 0.933 575 HG SER 72 HG SER 72 0.440 -11.278 0.274 576 H TYR 73 H TYR 73 2.352 -9.468 -3.108 577 HA TYR 73 HA TYR 73 -0.491 -9.105 -3.520 578 HB2 TYR 73 1HB TYR 73 -0.223 -7.396 -5.285 579 HB3 TYR 73 2HB TYR 73 0.247 -6.805 -3.697 580 HD1 TYR 73 HD2 TYR 73 2.686 -6.575 -3.154 581 HD2 TYR 73 HD1 TYR 73 1.319 -7.418 -7.092 582 HE1 TYR 73 HE2 TYR 73 4.855 -5.854 -4.053 583 HE2 TYR 73 HE1 TYR 73 3.486 -6.699 -8.002 584 HH TYR 73 HH TYR 73 6.220 -6.126 -5.995 585 H LYS 74 H LYS 74 -1.261 -10.320 -5.133 586 HA LYS 74 HA LYS 74 0.639 -11.411 -7.088 587 HB2 LYS 74 1HB LYS 74 -2.177 -12.265 -6.375 588 HB3 LYS 74 2HB LYS 74 -1.279 -12.919 -7.736 589 HG2 LYS 74 1HG LYS 74 0.498 -13.555 -5.991 590 HG3 LYS 74 2HG LYS 74 -0.783 -13.277 -4.807 591 HD2 LYS 74 1HD LYS 74 -2.205 -14.897 -5.973 592 HD3 LYS 74 2HD LYS 74 -0.923 -15.172 -7.152 593 HE2 LYS 74 1HE LYS 74 -0.763 -16.955 -5.629 594 HE3 LYS 74 2HE LYS 74 0.539 -15.849 -5.197 595 HZ1 LYS 74 3HZ LYS 74 -0.626 -16.643 -3.241 596 HZ2 LYS 74 1HZ LYS 74 -2.095 -16.048 -3.837 597 HZ3 LYS 74 2HZ LYS 74 -0.857 -14.975 -3.418 598 H GLY 75 H GLY 75 0.792 -10.225 -8.871 599 HA2 GLY 75 1HA GLY 75 0.213 -8.903 -10.658 600 HA3 GLY 75 2HA GLY 75 -1.436 -9.475 -10.439 601 H THR 76 H THR 76 -2.876 -7.945 -9.997 602 HA THR 76 HA THR 76 -1.927 -5.489 -8.661 603 HB THR 76 HB THR 76 -4.342 -5.559 -10.456 604 HG1 THR 76 HG1 THR 76 -3.075 -5.275 -12.232 605 HG21 THR 76 3HG2 THR 76 -3.763 -3.197 -10.790 606 HG22 THR 76 1HG2 THR 76 -2.342 -3.397 -9.764 607 HG23 THR 76 2HG2 THR 76 -3.957 -3.564 -9.076 608 H ARG 77 H ARG 77 -3.323 -8.170 -7.847 609 HA ARG 77 HA ARG 77 -5.942 -7.522 -6.992 610 HB2 ARG 77 1HB ARG 77 -4.054 -9.694 -6.089 611 HB3 ARG 77 2HB ARG 77 -5.740 -9.589 -5.605 612 HG2 ARG 77 1HG ARG 77 -6.453 -9.853 -7.895 613 HG3 ARG 77 2HG ARG 77 -4.774 -9.856 -8.441 614 HD2 ARG 77 1HD ARG 77 -4.348 -11.897 -7.206 615 HD3 ARG 77 2HD ARG 77 -5.988 -11.873 -6.558 616 HE ARG 77 HE ARG 77 -6.197 -11.843 -9.332 617 HH11 ARG 77 1HH1 ARG 77 -5.001 -13.982 -6.832 618 HH12 ARG 77 2HH1 ARG 77 -5.347 -15.435 -7.724 619 HH21 ARG 77 1HH2 ARG 77 -6.680 -13.759 -10.502 620 HH22 ARG 77 2HH2 ARG 77 -6.308 -15.303 -9.797 621 H PHE 78 H PHE 78 -2.813 -7.210 -5.484 622 HA PHE 78 HA PHE 78 -2.080 -6.379 -3.509 623 HB2 PHE 78 1HB PHE 78 -3.448 -4.412 -4.152 624 HB3 PHE 78 2HB PHE 78 -4.824 -5.116 -3.313 625 HD1 PHE 78 HD2 PHE 78 -1.353 -3.913 -2.779 626 HD2 PHE 78 HD1 PHE 78 -5.159 -4.701 -1.044 627 HE1 PHE 78 HE2 PHE 78 -0.628 -2.820 -0.699 628 HE2 PHE 78 HE1 PHE 78 -4.440 -3.607 1.040 629 HZ PHE 78 HZ PHE 78 -2.170 -2.665 1.215 630 H VAL 79 H VAL 79 -1.749 -8.084 -2.229 631 HA VAL 79 HA VAL 79 -3.981 -9.489 -1.012 632 HB VAL 79 HB VAL 79 -1.012 -9.972 -0.685 633 HG11 VAL 79 1HG1 VAL 79 -3.375 -11.749 -0.084 634 HG12 VAL 79 2HG1 VAL 79 -2.345 -10.953 1.106 635 HG13 VAL 79 3HG1 VAL 79 -1.677 -12.205 0.062 636 HG21 VAL 79 3HG2 VAL 79 -2.981 -11.258 -2.570 637 HG22 VAL 79 1HG2 VAL 79 -1.307 -11.762 -2.336 638 HG23 VAL 79 2HG2 VAL 79 -1.664 -10.173 -3.016 639 H GLY 80 H GLY 80 -1.401 -7.286 -0.144 640 HA2 GLY 80 1HA GLY 80 -2.554 -5.811 1.711 641 HA3 GLY 80 2HA GLY 80 -2.267 -7.274 2.642 642 H PHE 81 H PHE 81 -1.194 -4.633 3.077 643 HA PHE 81 HA PHE 81 1.632 -4.894 2.478 644 HB2 PHE 81 1HB PHE 81 0.576 -2.659 2.437 645 HB3 PHE 81 2HB PHE 81 0.162 -2.829 4.139 646 HD1 PHE 81 HD1 PHE 81 3.019 -2.661 1.791 647 HD2 PHE 81 HD2 PHE 81 1.679 -2.216 5.805 648 HE1 PHE 81 HE1 PHE 81 5.193 -1.690 2.406 649 HE2 PHE 81 HE2 PHE 81 3.851 -1.245 6.426 650 HZ PHE 81 HZ PHE 81 5.610 -0.981 4.726 651 H VAL 82 H VAL 82 3.105 -5.731 3.845 652 HA VAL 82 HA VAL 82 2.077 -6.664 6.442 653 HB VAL 82 HB VAL 82 4.279 -7.910 4.785 654 HG11 VAL 82 1HG1 VAL 82 4.548 -8.277 7.183 655 HG12 VAL 82 2HG1 VAL 82 4.105 -9.774 6.362 656 HG13 VAL 82 3HG1 VAL 82 2.896 -8.883 7.285 657 HG21 VAL 82 3HG2 VAL 82 1.427 -8.812 5.190 658 HG22 VAL 82 1HG2 VAL 82 2.681 -9.715 4.342 659 HG23 VAL 82 2HG2 VAL 82 2.115 -8.176 3.695 660 H SER 83 H SER 83 2.769 -5.235 7.906 661 HA SER 83 HA SER 83 5.402 -4.103 7.880 662 HB2 SER 83 1HB SER 83 4.672 -3.428 10.273 663 HB3 SER 83 2HB SER 83 3.777 -2.745 8.913 664 HG SER 83 HG SER 83 2.507 -3.666 10.714 665 H ARG 84 H ARG 84 6.172 -6.414 7.563 666 HA ARG 84 HA ARG 84 6.122 -8.362 9.547 667 HB2 ARG 84 1HB ARG 84 6.751 -8.832 7.252 668 HB3 ARG 84 2HB ARG 84 8.168 -7.804 7.395 669 HG2 ARG 84 1HG ARG 84 9.177 -9.336 8.956 670 HG3 ARG 84 2HG ARG 84 7.721 -10.336 8.959 671 HD2 ARG 84 1HD ARG 84 8.028 -10.885 6.639 672 HD3 ARG 84 2HD ARG 84 9.375 -9.756 6.506 673 HE ARG 84 HE ARG 84 10.680 -11.234 7.885 674 HH11 ARG 84 1HH1 ARG 84 7.618 -12.550 6.764 675 HH12 ARG 84 2HH1 ARG 84 8.137 -14.206 6.934 676 HH21 ARG 84 1HH2 ARG 84 11.350 -13.420 8.071 677 HH22 ARG 84 2HH2 ARG 84 10.238 -14.691 7.665 678 H THR 85 H THR 85 6.720 -8.019 11.569 679 HA THR 85 HA THR 85 9.291 -6.661 12.062 680 HB THR 85 HB THR 85 6.991 -6.934 14.007 681 HG1 THR 85 HG1 THR 85 6.772 -5.554 11.941 682 HG21 THR 85 3HG2 THR 85 8.157 -5.162 15.229 683 HG22 THR 85 1HG2 THR 85 9.436 -5.159 14.014 684 HG23 THR 85 2HG2 THR 85 9.188 -6.578 15.032 685 HA PRO 86 HA PRO 86 10.248 -10.881 13.460 686 HB2 PRO 86 1HB PRO 86 12.936 -10.567 13.380 687 HB3 PRO 86 2HB PRO 86 11.976 -10.908 11.935 688 HG2 PRO 86 1HG PRO 86 13.074 -8.303 12.913 689 HG3 PRO 86 2HG PRO 86 13.012 -8.945 11.261 690 HD2 PRO 86 1HD PRO 86 11.246 -7.104 12.221 691 HD3 PRO 86 2HD PRO 86 10.839 -8.275 10.952 692 H ASP 87 H ASP 87 11.423 -11.693 15.334 693 HA ASP 87 HA ASP 87 10.883 -10.373 17.696 694 HB2 ASP 87 1HB ASP 87 12.904 -12.523 17.072 695 HB3 ASP 87 2HB ASP 87 12.639 -11.933 18.709 696 H ASN 88 H ASN 88 11.926 -8.967 19.024 697 HA ASN 88 HA ASN 88 14.006 -7.433 17.706 698 HB2 ASN 88 1HB ASN 88 12.034 -6.296 18.710 699 HB3 ASN 88 2HB ASN 88 12.588 -6.812 20.300 700 HD21 ASN 88 2HD2 ASN 88 12.968 -4.805 21.114 701 HD22 ASN 88 1HD2 ASN 88 14.229 -3.763 20.536 702 H GLU 89 H GLU 89 15.336 -9.493 18.165 703 HA GLU 89 HA GLU 89 17.376 -8.484 19.902 704 HB2 GLU 89 1HB GLU 89 15.866 -9.940 21.396 705 HB3 GLU 89 2HB GLU 89 16.472 -11.308 20.470 706 HG2 GLU 89 1HG GLU 89 18.702 -10.912 21.189 707 HG3 GLU 89 2HG GLU 89 18.258 -9.365 21.907 708 H LEU 90 H LEU 90 16.733 -9.052 17.151 709 HA LEU 90 HA LEU 90 18.911 -10.896 16.455 710 HB2 LEU 90 1HB LEU 90 16.702 -11.921 16.037 711 HB3 LEU 90 2HB LEU 90 16.248 -10.541 15.060 712 HG LEU 90 HG LEU 90 18.089 -11.144 13.474 713 HD11 LEU 90 1HD1 LEU 90 19.472 -12.440 15.005 714 HD12 LEU 90 2HD1 LEU 90 19.013 -13.403 13.599 715 HD13 LEU 90 3HD1 LEU 90 18.198 -13.652 15.144 716 HD21 LEU 90 3HD2 LEU 90 15.964 -13.227 13.966 717 HD22 LEU 90 1HD2 LEU 90 16.858 -13.001 12.463 718 HD23 LEU 90 2HD2 LEU 90 15.768 -11.740 13.039 719 H GLU 91 H GLU 91 20.343 -10.054 14.962 720 HA GLU 91 HA GLU 91 20.253 -7.263 14.519 721 HB2 GLU 91 1HB GLU 91 22.018 -9.413 13.369 722 HB3 GLU 91 2HB GLU 91 22.224 -7.705 12.993 723 HG2 GLU 91 1HG GLU 91 22.343 -8.926 15.742 724 HG3 GLU 91 2HG GLU 91 23.727 -8.431 14.770 725 H HIS 92 H HIS 92 18.972 -9.899 12.734 726 HA HIS 92 HA HIS 92 18.698 -8.580 10.239 727 HB2 HIS 92 1HB HIS 92 17.253 -10.908 11.488 728 HB3 HIS 92 2HB HIS 92 16.785 -10.268 9.916 729 HD1 HIS 92 HD1 HIS 92 18.423 -13.057 10.976 730 HD2 HIS 92 HD2 HIS 92 19.618 -9.967 8.457 731 HE1 HIS 92 HE1 HIS 92 20.274 -14.005 9.566 732 HE2 HIS 92 HE2 HIS 92 20.810 -12.191 7.900 733 H HIS 93 H HIS 93 17.092 -8.225 13.249 734 HA HIS 93 HA HIS 93 14.703 -6.993 12.222 735 HB2 HIS 93 1HB HIS 93 14.679 -8.020 14.438 736 HB3 HIS 93 2HB HIS 93 15.969 -6.958 14.980 737 HD1 HIS 93 HD1 HIS 93 12.367 -7.291 15.038 738 HD2 HIS 93 HD2 HIS 93 15.064 -4.121 15.048 739 HE1 HIS 93 HE1 HIS 93 11.081 -5.300 15.871 740 HE2 HIS 93 HE2 HIS 93 12.770 -3.436 16.013 741 H HIS 94 H HIS 94 17.939 -6.025 12.913 742 HA HIS 94 HA HIS 94 17.255 -3.181 12.930 743 HB2 HIS 94 1HB HIS 94 19.885 -4.602 13.422 744 HB3 HIS 94 2HB HIS 94 19.672 -2.857 13.474 745 HD1 HIS 94 HD1 HIS 94 20.162 -5.385 15.758 746 HD2 HIS 94 HD2 HIS 94 17.206 -2.462 15.420 747 HE1 HIS 94 HE1 HIS 94 19.156 -5.157 18.051 748 HE2 HIS 94 HE2 HIS 94 17.507 -3.261 17.867 749 H HIS 95 H HIS 95 17.404 -5.230 10.581 750 HA HIS 95 HA HIS 95 19.085 -3.561 8.829 751 HB2 HIS 95 1HB HIS 95 18.661 -6.544 8.838 752 HB3 HIS 95 2HB HIS 95 19.187 -5.706 7.386 753 HD1 HIS 95 HD1 HIS 95 21.421 -7.092 7.520 754 HD2 HIS 95 HD2 HIS 95 20.777 -4.466 10.687 755 HE1 HIS 95 HE1 HIS 95 23.638 -6.879 8.698 756 HE2 HIS 95 HE2 HIS 95 23.216 -5.328 10.641 757 H HIS 96 H HIS 96 18.390 -3.856 6.454 758 HA HIS 96 HA HIS 96 15.469 -4.081 6.204 759 HB2 HIS 96 1HB HIS 96 17.143 -1.828 5.055 760 HB3 HIS 96 2HB HIS 96 15.431 -2.086 4.741 761 HD1 HIS 96 HD1 HIS 96 17.695 -0.334 6.955 762 HD2 HIS 96 HD2 HIS 96 13.825 -1.826 7.220 763 HE1 HIS 96 HE1 HIS 96 16.645 0.854 8.906 764 HE2 HIS 96 HE2 HIS 96 14.384 -0.220 9.178 765 H HIS 97 H HIS 97 14.804 -4.371 3.881 766 HA HIS 97 HA HIS 97 16.952 -5.422 2.201 767 HB2 HIS 97 1HB HIS 97 16.050 -7.285 3.658 768 HB3 HIS 97 2HB HIS 97 14.518 -7.100 2.814 769 HD1 HIS 97 HD1 HIS 97 14.371 -7.998 0.413 770 HD2 HIS 97 HD2 HIS 97 18.121 -8.450 2.150 771 HE1 HIS 97 HE1 HIS 97 15.629 -9.563 -1.093 772 HE2 HIS 97 HE2 HIS 97 17.794 -10.010 0.109 Start of MODEL 15 1 H1 MET 1 1H MET 1 8.068 -17.905 -6.409 2 H2 MET 1 2H MET 1 9.659 -18.014 -5.837 3 H3 MET 1 3H MET 1 8.502 -17.137 -4.959 4 HA MET 1 HA MET 1 8.595 -20.063 -5.386 5 HB2 MET 1 1HB MET 1 8.706 -18.400 -2.857 6 HB3 MET 1 2HB MET 1 8.766 -20.155 -2.937 7 HG2 MET 1 1HG MET 1 10.881 -20.034 -4.141 8 HG3 MET 1 2HG MET 1 10.820 -18.273 -4.077 9 HE1 MET 1 3HE MET 1 10.961 -16.875 -1.807 10 HE2 MET 1 1HE MET 1 11.123 -17.615 -0.215 11 HE3 MET 1 2HE MET 1 9.629 -17.813 -1.133 12 H ALA 2 H ALA 2 6.909 -17.644 -3.388 13 HA ALA 2 HA ALA 2 4.505 -19.273 -3.421 14 HB1 ALA 2 3HB ALA 2 3.647 -17.662 -1.812 15 HB2 ALA 2 1HB ALA 2 5.040 -16.617 -2.090 16 HB3 ALA 2 2HB ALA 2 5.259 -18.198 -1.341 17 HA PRO 3 HA PRO 3 2.401 -17.093 -6.702 18 HB2 PRO 3 1HB PRO 3 -0.007 -17.331 -4.986 19 HB3 PRO 3 2HB PRO 3 0.251 -17.881 -6.645 20 HG2 PRO 3 1HG PRO 3 0.177 -19.619 -4.622 21 HG3 PRO 3 2HG PRO 3 1.306 -19.835 -5.973 22 HD2 PRO 3 1HD PRO 3 1.825 -18.806 -3.211 23 HD3 PRO 3 2HD PRO 3 2.822 -19.872 -4.223 24 H LEU 4 H LEU 4 1.990 -16.206 -3.335 25 HA LEU 4 HA LEU 4 1.160 -13.501 -3.941 26 HB2 LEU 4 1HB LEU 4 0.424 -14.705 -1.887 27 HB3 LEU 4 2HB LEU 4 2.087 -14.729 -1.340 28 HG LEU 4 HG LEU 4 2.071 -12.256 -1.266 29 HD11 LEU 4 1HD1 LEU 4 -0.075 -11.090 -1.386 30 HD12 LEU 4 2HD1 LEU 4 -0.864 -12.590 -1.875 31 HD13 LEU 4 3HD1 LEU 4 0.339 -11.842 -2.926 32 HD21 LEU 4 3HD2 LEU 4 0.701 -12.097 0.745 33 HD22 LEU 4 1HD2 LEU 4 1.617 -13.603 0.725 34 HD23 LEU 4 2HD2 LEU 4 -0.103 -13.610 0.329 35 H GLN 5 H GLN 5 2.591 -12.011 -4.605 36 HA GLN 5 HA GLN 5 5.413 -12.477 -4.019 37 HB2 GLN 5 1HB GLN 5 4.705 -11.997 -6.374 38 HB3 GLN 5 2HB GLN 5 4.226 -10.386 -5.850 39 HG2 GLN 5 1HG GLN 5 6.474 -9.824 -5.281 40 HG3 GLN 5 2HG GLN 5 7.008 -11.483 -5.535 41 HE21 GLN 5 2HE2 GLN 5 8.524 -10.946 -7.045 42 HE22 GLN 5 1HE2 GLN 5 8.117 -10.423 -8.643 43 H GLN 6 H GLN 6 6.146 -11.632 -2.226 44 HA GLN 6 HA GLN 6 5.039 -9.085 -1.292 45 HB2 GLN 6 1HB GLN 6 6.573 -11.245 0.161 46 HB3 GLN 6 2HB GLN 6 6.180 -9.687 0.876 47 HG2 GLN 6 1HG GLN 6 3.797 -10.166 0.588 48 HG3 GLN 6 2HG GLN 6 4.205 -11.731 -0.112 49 HE21 GLN 6 2HE2 GLN 6 2.657 -11.045 2.289 50 HE22 GLN 6 1HE2 GLN 6 3.426 -11.892 3.590 51 H LYS 7 H LYS 7 6.254 -7.311 -1.199 52 HA LYS 7 HA LYS 7 9.161 -7.535 -1.367 53 HB2 LYS 7 1HB LYS 7 8.328 -7.269 -3.691 54 HB3 LYS 7 2HB LYS 7 7.524 -5.782 -3.211 55 HG2 LYS 7 1HG LYS 7 9.668 -4.752 -2.713 56 HG3 LYS 7 2HG LYS 7 10.495 -6.256 -3.120 57 HD2 LYS 7 1HD LYS 7 8.826 -4.602 -5.012 58 HD3 LYS 7 2HD LYS 7 10.589 -4.635 -4.960 59 HE2 LYS 7 1HE LYS 7 10.611 -6.961 -5.586 60 HE3 LYS 7 2HE LYS 7 8.855 -7.052 -5.472 61 HZ1 LYS 7 3HZ LYS 7 8.739 -5.421 -7.302 62 HZ2 LYS 7 1HZ LYS 7 9.487 -6.872 -7.755 63 HZ3 LYS 7 2HZ LYS 7 10.428 -5.495 -7.457 64 H GLN 8 H GLN 8 10.253 -5.835 -0.399 65 HA GLN 8 HA GLN 8 8.706 -4.243 1.435 66 HB2 GLN 8 1HB GLN 8 10.899 -5.211 2.067 67 HB3 GLN 8 2HB GLN 8 11.678 -4.185 0.873 68 HG2 GLN 8 1HG GLN 8 11.085 -2.209 2.075 69 HG3 GLN 8 2HG GLN 8 10.074 -3.130 3.188 70 HE21 GLN 8 2HE2 GLN 8 11.204 -2.411 4.983 71 HE22 GLN 8 1HE2 GLN 8 12.794 -2.973 5.363 72 H VAL 9 H VAL 9 7.888 -2.331 1.039 73 HA VAL 9 HA VAL 9 9.097 -0.619 -1.023 74 HB VAL 9 HB VAL 9 6.789 0.062 -1.730 75 HG11 VAL 9 1HG1 VAL 9 7.531 -2.829 -2.164 76 HG12 VAL 9 2HG1 VAL 9 8.095 -1.448 -3.106 77 HG13 VAL 9 3HG1 VAL 9 6.394 -1.908 -3.149 78 HG21 VAL 9 3HG2 VAL 9 5.962 -2.379 -0.161 79 HG22 VAL 9 1HG2 VAL 9 4.924 -1.459 -1.251 80 HG23 VAL 9 2HG2 VAL 9 5.549 -0.707 0.218 81 H VAL 10 H VAL 10 7.971 1.632 -0.921 82 HA VAL 10 HA VAL 10 7.726 2.373 1.927 83 HB VAL 10 HB VAL 10 8.670 4.149 -0.331 84 HG11 VAL 10 1HG1 VAL 10 7.661 5.366 1.519 85 HG12 VAL 10 2HG1 VAL 10 9.403 5.644 1.468 86 HG13 VAL 10 3HG1 VAL 10 8.720 4.536 2.662 87 HG21 VAL 10 3HG2 VAL 10 10.289 2.377 0.015 88 HG22 VAL 10 1HG2 VAL 10 10.293 2.690 1.750 89 HG23 VAL 10 2HG2 VAL 10 10.922 3.903 0.635 90 H VAL 11 H VAL 11 5.788 3.107 2.517 91 HA VAL 11 HA VAL 11 3.798 3.934 0.602 92 HB VAL 11 HB VAL 11 3.740 4.252 3.610 93 HG11 VAL 11 1HG1 VAL 11 2.074 5.595 2.453 94 HG12 VAL 11 2HG1 VAL 11 1.306 4.263 3.319 95 HG13 VAL 11 3HG1 VAL 11 1.520 4.173 1.569 96 HG21 VAL 11 3HG2 VAL 11 2.485 2.138 3.644 97 HG22 VAL 11 1HG2 VAL 11 4.133 1.924 3.050 98 HG23 VAL 11 2HG2 VAL 11 2.783 1.948 1.914 99 H SER 12 H SER 12 4.225 5.794 -0.444 100 HA SER 12 HA SER 12 5.890 7.800 0.722 101 HB2 SER 12 1HB SER 12 4.316 8.009 -1.843 102 HB3 SER 12 2HB SER 12 5.765 8.904 -1.397 103 HG SER 12 HG SER 12 5.755 6.789 -2.791 104 H ASN 13 H ASN 13 2.462 7.813 -0.310 105 HA ASN 13 HA ASN 13 1.824 9.825 1.644 106 HB2 ASN 13 1HB ASN 13 2.915 11.157 -0.157 107 HB3 ASN 13 2HB ASN 13 1.710 10.561 -1.290 108 HD21 ASN 13 2HD2 ASN 13 0.905 12.535 -1.782 109 HD22 ASN 13 1HD2 ASN 13 -0.020 13.498 -0.672 110 H LYS 14 H LYS 14 -0.489 10.470 1.504 111 HA LYS 14 HA LYS 14 -2.105 8.253 0.443 112 HB2 LYS 14 1HB LYS 14 -3.808 8.944 2.094 113 HB3 LYS 14 2HB LYS 14 -2.281 8.523 2.859 114 HG2 LYS 14 1HG LYS 14 -1.736 10.837 3.180 115 HG3 LYS 14 2HG LYS 14 -3.150 11.341 2.253 116 HD2 LYS 14 1HD LYS 14 -4.605 10.302 3.951 117 HD3 LYS 14 2HD LYS 14 -3.173 9.860 4.884 118 HE2 LYS 14 1HE LYS 14 -2.594 12.208 5.140 119 HE3 LYS 14 2HE LYS 14 -3.982 12.673 4.158 120 HZ1 LYS 14 3HZ LYS 14 -5.454 11.777 5.833 121 HZ2 LYS 14 1HZ LYS 14 -4.402 12.902 6.541 122 HZ3 LYS 14 2HZ LYS 14 -4.139 11.244 6.762 123 H ARG 15 H ARG 15 -3.880 8.648 -0.810 124 HA ARG 15 HA ARG 15 -4.736 11.373 -1.354 125 HB2 ARG 15 1HB ARG 15 -3.356 9.622 -3.352 126 HB3 ARG 15 2HB ARG 15 -4.667 10.658 -3.903 127 HG2 ARG 15 1HG ARG 15 -3.508 12.624 -3.158 128 HG3 ARG 15 2HG ARG 15 -2.249 11.647 -2.402 129 HD2 ARG 15 1HD ARG 15 -2.811 11.392 -5.330 130 HD3 ARG 15 2HD ARG 15 -1.825 12.724 -4.728 131 HE ARG 15 HE ARG 15 -0.559 10.709 -3.611 132 HH11 ARG 15 1HH1 ARG 15 -1.892 10.884 -6.845 133 HH12 ARG 15 2HH1 ARG 15 -0.640 9.896 -7.543 134 HH21 ARG 15 1HH2 ARG 15 1.086 9.413 -4.532 135 HH22 ARG 15 2HH2 ARG 15 1.040 9.052 -6.236 136 H GLU 16 H GLU 16 -6.542 10.994 -3.338 137 HA GLU 16 HA GLU 16 -8.051 8.576 -2.727 138 HB2 GLU 16 1HB GLU 16 -8.820 10.305 -1.109 139 HB3 GLU 16 2HB GLU 16 -9.288 11.322 -2.466 140 HG2 GLU 16 1HG GLU 16 -10.773 9.415 -3.211 141 HG3 GLU 16 2HG GLU 16 -10.461 8.684 -1.639 142 H LYS 17 H LYS 17 -8.323 7.732 -4.685 143 HA LYS 17 HA LYS 17 -9.791 9.390 -6.621 144 HB2 LYS 17 1HB LYS 17 -7.800 7.227 -7.356 145 HB3 LYS 17 2HB LYS 17 -8.726 8.217 -8.472 146 HG2 LYS 17 1HG LYS 17 -7.510 10.192 -7.775 147 HG3 LYS 17 2HG LYS 17 -6.625 9.244 -6.580 148 HD2 LYS 17 1HD LYS 17 -6.556 8.627 -9.526 149 HD3 LYS 17 2HD LYS 17 -5.415 9.726 -8.755 150 HE2 LYS 17 1HE LYS 17 -4.386 7.572 -8.913 151 HE3 LYS 17 2HE LYS 17 -4.757 7.879 -7.220 152 HZ1 LYS 17 3HZ LYS 17 -6.591 6.405 -7.305 153 HZ2 LYS 17 1HZ LYS 17 -5.285 5.593 -8.019 154 HZ3 LYS 17 2HZ LYS 17 -6.498 6.257 -8.998 155 HA PRO 18 HA PRO 18 -12.589 6.035 -5.442 156 HB2 PRO 18 1HB PRO 18 -14.638 6.966 -7.062 157 HB3 PRO 18 2HB PRO 18 -14.371 7.454 -5.387 158 HG2 PRO 18 1HG PRO 18 -13.613 8.848 -7.913 159 HG3 PRO 18 2HG PRO 18 -14.203 9.530 -6.385 160 HD2 PRO 18 1HD PRO 18 -11.604 9.636 -7.068 161 HD3 PRO 18 2HD PRO 18 -12.120 9.421 -5.383 162 H VAL 19 H VAL 19 -11.797 4.228 -6.416 163 HA VAL 19 HA VAL 19 -11.634 4.035 -9.284 164 HB VAL 19 HB VAL 19 -11.224 1.790 -7.305 165 HG11 VAL 19 1HG1 VAL 19 -10.227 2.213 -10.122 166 HG12 VAL 19 2HG1 VAL 19 -11.477 1.077 -9.618 167 HG13 VAL 19 3HG1 VAL 19 -9.812 0.851 -9.082 168 HG21 VAL 19 3HG2 VAL 19 -8.847 2.334 -7.349 169 HG22 VAL 19 1HG2 VAL 19 -9.788 3.682 -6.711 170 HG23 VAL 19 2HG2 VAL 19 -9.176 3.738 -8.363 171 H ASN 20 H ASN 20 -13.948 4.508 -9.458 172 HA ASN 20 HA ASN 20 -15.316 2.154 -10.235 173 HB2 ASN 20 1HB ASN 20 -15.802 2.115 -7.774 174 HB3 ASN 20 2HB ASN 20 -16.585 3.683 -7.946 175 HD21 ASN 20 2HD2 ASN 20 -18.543 3.827 -9.028 176 HD22 ASN 20 1HD2 ASN 20 -19.507 2.434 -9.386 177 H ASP 21 H ASP 21 -15.204 3.336 -12.153 178 HA ASP 21 HA ASP 21 -16.896 5.751 -12.263 179 HB2 ASP 21 1HB ASP 21 -14.683 6.439 -12.717 180 HB3 ASP 21 2HB ASP 21 -14.349 5.014 -13.691 181 H ARG 22 H ARG 22 -16.255 2.622 -13.548 182 HA ARG 22 HA ARG 22 -17.545 3.044 -16.065 183 HB2 ARG 22 1HB ARG 22 -16.587 0.545 -14.676 184 HB3 ARG 22 2HB ARG 22 -17.285 0.556 -16.291 185 HG2 ARG 22 1HG ARG 22 -15.515 1.959 -17.109 186 HG3 ARG 22 2HG ARG 22 -14.855 2.135 -15.484 187 HD2 ARG 22 1HD ARG 22 -14.311 -0.221 -15.414 188 HD3 ARG 22 2HD ARG 22 -15.071 -0.470 -16.986 189 HE ARG 22 HE ARG 22 -13.316 1.131 -17.845 190 HH11 ARG 22 1HH1 ARG 22 -12.770 -0.890 -15.033 191 HH12 ARG 22 2HH1 ARG 22 -11.046 -0.924 -15.225 192 HH21 ARG 22 1HH2 ARG 22 -11.050 1.059 -18.125 193 HH22 ARG 22 2HH2 ARG 22 -10.067 0.149 -17.016 194 H ARG 23 H ARG 23 -18.552 1.660 -12.969 195 HA ARG 23 HA ARG 23 -21.302 1.691 -13.987 196 HB2 ARG 23 1HB ARG 23 -19.930 -0.642 -12.680 197 HB3 ARG 23 2HB ARG 23 -21.677 -0.462 -12.642 198 HG2 ARG 23 1HG ARG 23 -21.742 -0.492 -15.078 199 HG3 ARG 23 2HG ARG 23 -19.986 -0.656 -15.124 200 HD2 ARG 23 1HD ARG 23 -21.097 -2.814 -15.424 201 HD3 ARG 23 2HD ARG 23 -20.135 -2.778 -13.948 202 HE ARG 23 HE ARG 23 -23.083 -2.542 -14.037 203 HH11 ARG 23 1HH1 ARG 23 -20.114 -3.461 -12.399 204 HH12 ARG 23 2HH1 ARG 23 -20.943 -4.209 -11.071 205 HH21 ARG 23 1HH2 ARG 23 -24.155 -3.528 -12.290 206 HH22 ARG 23 2HH2 ARG 23 -23.230 -4.259 -11.007 207 H SER 24 H SER 24 -22.400 3.028 -12.737 208 HA SER 24 HA SER 24 -21.792 3.571 -10.023 209 HB2 SER 24 1HB SER 24 -24.427 3.983 -11.461 210 HB3 SER 24 2HB SER 24 -23.881 4.807 -10.000 211 HG SER 24 HG SER 24 -22.784 6.144 -11.193 212 H ARG 25 H ARG 25 -21.864 1.985 -8.568 213 HA ARG 25 HA ARG 25 -23.445 -0.354 -8.892 214 HB2 ARG 25 1HB ARG 25 -21.980 0.591 -6.426 215 HB3 ARG 25 2HB ARG 25 -22.537 -1.047 -6.747 216 HG2 ARG 25 1HG ARG 25 -21.017 -1.116 -8.708 217 HG3 ARG 25 2HG ARG 25 -20.388 0.459 -8.220 218 HD2 ARG 25 1HD ARG 25 -19.753 -0.516 -6.039 219 HD3 ARG 25 2HD ARG 25 -20.297 -2.092 -6.614 220 HE ARG 25 HE ARG 25 -17.999 -0.580 -7.675 221 HH11 ARG 25 1HH1 ARG 25 -19.813 -3.571 -7.409 222 HH12 ARG 25 2HH1 ARG 25 -18.488 -4.562 -7.952 223 HH21 ARG 25 1HH2 ARG 25 -16.270 -1.885 -8.398 224 HH22 ARG 25 2HH2 ARG 25 -16.469 -3.609 -8.506 225 H GLN 26 H GLN 26 -23.967 2.665 -7.363 226 HA GLN 26 HA GLN 26 -26.267 1.660 -5.873 227 HB2 GLN 26 1HB GLN 26 -24.848 4.323 -5.873 228 HB3 GLN 26 2HB GLN 26 -26.343 4.029 -4.996 229 HG2 GLN 26 1HG GLN 26 -25.273 2.365 -3.630 230 HG3 GLN 26 2HG GLN 26 -23.790 2.493 -4.574 231 HE21 GLN 26 2HE2 GLN 26 -24.313 2.929 -1.702 232 HE22 GLN 26 1HE2 GLN 26 -23.737 4.528 -1.376 233 H GLN 27 H GLN 27 -28.065 3.590 -5.909 234 HA GLN 27 HA GLN 27 -29.090 3.318 -8.598 235 HB2 GLN 27 1HB GLN 27 -30.501 2.822 -6.654 236 HB3 GLN 27 2HB GLN 27 -30.343 4.484 -6.108 237 HG2 GLN 27 1HG GLN 27 -31.560 5.285 -8.009 238 HG3 GLN 27 2HG GLN 27 -31.588 3.671 -8.720 239 HE21 GLN 27 2HE2 GLN 27 -33.777 5.482 -7.931 240 HE22 GLN 27 1HE2 GLN 27 -34.760 4.559 -6.846 241 H GLU 28 H GLU 28 -28.116 5.912 -6.409 242 HA GLU 28 HA GLU 28 -28.855 7.938 -8.345 243 HB2 GLU 28 1HB GLU 28 -27.499 8.169 -5.656 244 HB3 GLU 28 2HB GLU 28 -27.978 9.533 -6.658 245 HG2 GLU 28 1HG GLU 28 -29.767 7.512 -5.335 246 HG3 GLU 28 2HG GLU 28 -29.642 9.237 -4.991 247 H VAL 29 H VAL 29 -27.427 9.403 -9.299 248 HA VAL 29 HA VAL 29 -25.193 8.159 -10.490 249 HB VAL 29 HB VAL 29 -25.873 11.105 -10.487 250 HG11 VAL 29 1HG1 VAL 29 -24.679 11.155 -12.624 251 HG12 VAL 29 2HG1 VAL 29 -24.274 9.447 -12.436 252 HG13 VAL 29 3HG1 VAL 29 -23.626 10.638 -11.306 253 HG21 VAL 29 3HG2 VAL 29 -27.091 10.647 -12.567 254 HG22 VAL 29 1HG2 VAL 29 -27.791 9.789 -11.195 255 HG23 VAL 29 2HG2 VAL 29 -26.787 8.923 -12.358 256 H SER 30 H SER 30 -25.513 10.554 -7.940 257 HA SER 30 HA SER 30 -24.089 11.370 -6.384 258 HB2 SER 30 1HB SER 30 -22.166 9.167 -7.148 259 HB3 SER 30 2HB SER 30 -22.283 10.009 -5.602 260 HG SER 30 HG SER 30 -24.165 8.222 -6.752 261 HA PRO 31 HA PRO 31 -21.962 13.488 -9.940 262 HB2 PRO 31 1HB PRO 31 -22.949 15.868 -8.497 263 HB3 PRO 31 2HB PRO 31 -23.116 15.434 -10.201 264 HG2 PRO 31 1HG PRO 31 -25.200 15.307 -8.543 265 HG3 PRO 31 2HG PRO 31 -24.963 14.093 -9.814 266 HD2 PRO 31 1HD PRO 31 -24.365 13.905 -6.882 267 HD3 PRO 31 2HD PRO 31 -25.117 12.705 -7.955 268 H ALA 32 H ALA 32 -21.695 13.729 -6.505 269 HA ALA 32 HA ALA 32 -19.615 15.598 -6.278 270 HB1 ALA 32 3HB ALA 32 -20.923 14.802 -4.366 271 HB2 ALA 32 1HB ALA 32 -19.191 14.613 -4.092 272 HB3 ALA 32 2HB ALA 32 -20.175 13.212 -4.518 273 H GLY 33 H GLY 33 -19.606 12.153 -6.990 274 HA2 GLY 33 1HA GLY 33 -17.984 10.794 -7.871 275 HA3 GLY 33 2HA GLY 33 -17.192 12.262 -8.415 276 H THR 34 H THR 34 -17.840 11.259 -5.087 277 HA THR 34 HA THR 34 -14.946 10.919 -4.701 278 HB THR 34 HB THR 34 -15.456 13.113 -3.823 279 HG1 THR 34 HG1 THR 34 -14.087 11.629 -2.544 280 HG21 THR 34 3HG2 THR 34 -17.873 12.849 -3.518 281 HG22 THR 34 1HG2 THR 34 -17.109 13.476 -2.057 282 HG23 THR 34 2HG2 THR 34 -17.585 11.781 -2.146 283 H SER 35 H SER 35 -14.331 9.423 -3.160 284 HA SER 35 HA SER 35 -16.342 7.985 -1.639 285 HB2 SER 35 1HB SER 35 -14.501 6.550 -3.578 286 HB3 SER 35 2HB SER 35 -15.635 5.786 -2.464 287 HG SER 35 HG SER 35 -17.019 7.533 -3.861 288 H MET 36 H MET 36 -15.525 7.748 0.349 289 HA MET 36 HA MET 36 -12.872 8.745 0.792 290 HB2 MET 36 1HB MET 36 -14.988 7.783 2.717 291 HB3 MET 36 2HB MET 36 -13.467 8.523 3.202 292 HG2 MET 36 1HG MET 36 -14.077 10.556 1.976 293 HG3 MET 36 2HG MET 36 -15.612 9.815 1.531 294 HE1 MET 36 3HE MET 36 -13.630 9.654 4.939 295 HE2 MET 36 1HE MET 36 -14.420 10.942 5.850 296 HE3 MET 36 2HE MET 36 -13.444 11.334 4.436 297 H ARG 37 H ARG 37 -12.766 6.288 -0.571 298 HA ARG 37 HA ARG 37 -11.443 4.568 1.402 299 HB2 ARG 37 1HB ARG 37 -12.251 4.133 -1.468 300 HB3 ARG 37 2HB ARG 37 -11.058 3.099 -0.696 301 HG2 ARG 37 1HG ARG 37 -13.079 1.955 -0.475 302 HG3 ARG 37 2HG ARG 37 -12.802 2.691 1.105 303 HD2 ARG 37 1HD ARG 37 -14.267 4.602 0.301 304 HD3 ARG 37 2HD ARG 37 -14.714 3.557 -1.048 305 HE ARG 37 HE ARG 37 -15.531 3.303 1.721 306 HH11 ARG 37 1HH1 ARG 37 -15.251 1.680 -1.376 307 HH12 ARG 37 2HH1 ARG 37 -16.450 0.483 -1.000 308 HH21 ARG 37 1HH2 ARG 37 -17.091 1.744 2.212 309 HH22 ARG 37 2HH2 ARG 37 -17.513 0.534 1.041 310 H TYR 38 H TYR 38 -9.589 5.490 1.888 311 HA TYR 38 HA TYR 38 -8.201 7.266 0.192 312 HB2 TYR 38 1HB TYR 38 -7.059 5.887 2.620 313 HB3 TYR 38 2HB TYR 38 -6.620 7.462 1.965 314 HD1 TYR 38 HD1 TYR 38 -8.280 9.346 2.129 315 HD2 TYR 38 HD2 TYR 38 -8.800 5.660 4.183 316 HE1 TYR 38 HE1 TYR 38 -9.903 10.418 3.630 317 HE2 TYR 38 HE2 TYR 38 -10.426 6.719 5.690 318 HH TYR 38 HH TYR 38 -11.799 9.734 5.071 319 H GLU 39 H GLU 39 -6.472 6.999 -1.089 320 HA GLU 39 HA GLU 39 -5.431 4.266 -1.377 321 HB2 GLU 39 1HB GLU 39 -5.402 6.584 -3.312 322 HB3 GLU 39 2HB GLU 39 -4.606 5.045 -3.598 323 HG2 GLU 39 1HG GLU 39 -6.803 3.928 -3.454 324 HG3 GLU 39 2HG GLU 39 -7.557 5.516 -3.288 325 H ALA 40 H ALA 40 -3.197 3.969 -1.560 326 HA ALA 40 HA ALA 40 -1.553 6.262 -0.725 327 HB1 ALA 40 3HB ALA 40 -1.216 3.402 0.189 328 HB2 ALA 40 1HB ALA 40 -1.849 4.725 1.170 329 HB3 ALA 40 2HB ALA 40 -0.174 4.758 0.616 330 H SER 41 H SER 41 0.451 6.437 -1.715 331 HA SER 41 HA SER 41 0.776 4.752 -4.073 332 HB2 SER 41 1HB SER 41 2.499 6.439 -4.735 333 HB3 SER 41 2HB SER 41 0.897 7.125 -4.508 334 HG SER 41 HG SER 41 3.222 7.647 -3.195 335 H PHE 42 H PHE 42 2.200 3.175 -4.155 336 HA PHE 42 HA PHE 42 4.077 2.925 -1.920 337 HB2 PHE 42 1HB PHE 42 2.995 0.851 -3.841 338 HB3 PHE 42 2HB PHE 42 4.193 0.523 -2.591 339 HD1 PHE 42 HD2 PHE 42 0.683 1.268 -3.273 340 HD2 PHE 42 HD1 PHE 42 3.572 0.473 -0.255 341 HE1 PHE 42 HE2 PHE 42 -1.124 0.876 -1.651 342 HE2 PHE 42 HE1 PHE 42 1.768 0.077 1.372 343 HZ PHE 42 HZ PHE 42 -0.582 0.279 0.674 344 H LYS 43 H LYS 43 6.062 3.417 -2.256 345 HA LYS 43 HA LYS 43 7.083 3.674 -4.978 346 HB2 LYS 43 1HB LYS 43 7.272 5.550 -3.334 347 HB3 LYS 43 2HB LYS 43 8.307 4.532 -2.347 348 HG2 LYS 43 1HG LYS 43 9.859 4.391 -4.328 349 HG3 LYS 43 2HG LYS 43 8.882 5.658 -5.073 350 HD2 LYS 43 1HD LYS 43 10.289 5.864 -2.411 351 HD3 LYS 43 2HD LYS 43 10.864 6.557 -3.925 352 HE2 LYS 43 1HE LYS 43 8.229 7.252 -2.630 353 HE3 LYS 43 2HE LYS 43 9.711 8.179 -2.413 354 HZ1 LYS 43 3HZ LYS 43 9.630 8.168 -5.035 355 HZ2 LYS 43 1HZ LYS 43 8.778 9.318 -4.124 356 HZ3 LYS 43 2HZ LYS 43 7.964 7.976 -4.754 357 HA PRO 44 HA PRO 44 9.160 -0.233 -4.215 358 HB2 PRO 44 1HB PRO 44 10.082 -0.562 -6.740 359 HB3 PRO 44 2HB PRO 44 8.403 -0.882 -6.292 360 HG2 PRO 44 1HG PRO 44 9.581 1.501 -7.655 361 HG3 PRO 44 2HG PRO 44 8.052 0.665 -7.978 362 HD2 PRO 44 1HD PRO 44 8.239 2.991 -6.553 363 HD3 PRO 44 2HD PRO 44 6.941 1.804 -6.333 364 H LEU 45 H LEU 45 11.102 -0.403 -3.318 365 HA LEU 45 HA LEU 45 13.132 1.539 -3.507 366 HB2 LEU 45 1HB LEU 45 13.342 -1.359 -2.673 367 HB3 LEU 45 2HB LEU 45 14.532 -0.116 -2.343 368 HG LEU 45 HG LEU 45 11.706 -0.028 -1.290 369 HD11 LEU 45 1HD1 LEU 45 12.674 -0.747 0.848 370 HD12 LEU 45 2HD1 LEU 45 14.220 -1.020 0.044 371 HD13 LEU 45 3HD1 LEU 45 12.811 -1.987 -0.398 372 HD21 LEU 45 3HD2 LEU 45 12.620 1.629 0.245 373 HD22 LEU 45 1HD2 LEU 45 12.840 2.130 -1.432 374 HD23 LEU 45 2HD2 LEU 45 14.201 1.478 -0.522 375 H ASN 46 H ASN 46 12.869 -1.724 -4.861 376 HA ASN 46 HA ASN 46 15.025 -1.156 -6.740 377 HB2 ASN 46 1HB ASN 46 13.398 -3.678 -6.325 378 HB3 ASN 46 2HB ASN 46 14.775 -3.523 -7.409 379 HD21 ASN 46 2HD2 ASN 46 14.371 -5.308 -5.149 380 HD22 ASN 46 1HD2 ASN 46 15.685 -5.001 -4.054 381 H GLY 47 H GLY 47 14.210 0.270 -8.234 382 HA2 GLY 47 1HA GLY 47 13.269 -0.145 -10.553 383 HA3 GLY 47 2HA GLY 47 11.810 -0.623 -9.699 384 H GLY 48 H GLY 48 10.613 0.990 -10.773 385 HA2 GLY 48 1HA GLY 48 10.801 3.598 -9.501 386 HA3 GLY 48 2HA GLY 48 11.011 3.580 -11.248 387 H LEU 49 H LEU 49 9.029 5.069 -10.587 388 HA LEU 49 HA LEU 49 6.836 5.505 -10.869 389 HB2 LEU 49 1HB LEU 49 6.737 2.688 -11.941 390 HB3 LEU 49 2HB LEU 49 5.394 3.814 -11.997 391 HG LEU 49 HG LEU 49 8.061 4.261 -13.339 392 HD11 LEU 49 1HD1 LEU 49 5.412 3.440 -14.519 393 HD12 LEU 49 2HD1 LEU 49 6.830 2.406 -14.350 394 HD13 LEU 49 3HD1 LEU 49 6.882 3.806 -15.421 395 HD21 LEU 49 3HD2 LEU 49 6.889 6.093 -14.478 396 HD22 LEU 49 1HD2 LEU 49 6.948 6.334 -12.732 397 HD23 LEU 49 2HD2 LEU 49 5.460 5.778 -13.495 398 H GLU 50 H GLU 50 5.334 5.716 -9.382 399 HA GLU 50 HA GLU 50 5.312 3.778 -7.200 400 HB2 GLU 50 1HB GLU 50 4.255 6.592 -7.423 401 HB3 GLU 50 2HB GLU 50 3.938 5.556 -6.036 402 HG2 GLU 50 1HG GLU 50 6.380 5.348 -5.699 403 HG3 GLU 50 2HG GLU 50 6.619 6.509 -7.004 404 H LYS 51 H LYS 51 3.787 2.331 -7.010 405 HA LYS 51 HA LYS 51 1.426 2.512 -8.700 406 HB2 LYS 51 1HB LYS 51 2.518 0.314 -6.942 407 HB3 LYS 51 2HB LYS 51 0.971 0.197 -7.771 408 HG2 LYS 51 1HG LYS 51 2.123 0.470 -9.925 409 HG3 LYS 51 2HG LYS 51 3.669 0.528 -9.074 410 HD2 LYS 51 1HD LYS 51 1.753 -1.789 -8.862 411 HD3 LYS 51 2HD LYS 51 3.041 -1.710 -10.065 412 HE2 LYS 51 1HE LYS 51 3.556 -1.419 -7.118 413 HE3 LYS 51 2HE LYS 51 3.540 -2.986 -7.923 414 HZ1 LYS 51 3HZ LYS 51 5.379 -2.399 -9.236 415 HZ2 LYS 51 1HZ LYS 51 5.772 -1.879 -7.676 416 HZ3 LYS 51 2HZ LYS 51 5.269 -0.753 -8.840 417 H THR 52 H THR 52 -0.405 3.332 -8.002 418 HA THR 52 HA THR 52 -0.747 3.833 -5.145 419 HB THR 52 HB THR 52 -2.565 4.749 -7.377 420 HG1 THR 52 HG1 THR 52 0.017 5.427 -6.932 421 HG21 THR 52 3HG2 THR 52 -3.037 6.594 -5.821 422 HG22 THR 52 1HG2 THR 52 -1.945 5.868 -4.639 423 HG23 THR 52 2HG2 THR 52 -3.424 5.028 -5.109 424 H PHE 53 H PHE 53 -1.948 2.493 -3.946 425 HA PHE 53 HA PHE 53 -3.912 0.800 -5.340 426 HB2 PHE 53 1HB PHE 53 -2.137 0.151 -2.989 427 HB3 PHE 53 2HB PHE 53 -3.520 -0.838 -3.446 428 HD1 PHE 53 HD1 PHE 53 -3.556 -1.718 -5.870 429 HD2 PHE 53 HD2 PHE 53 -0.063 -0.252 -3.935 430 HE1 PHE 53 HE1 PHE 53 -2.154 -2.951 -7.472 431 HE2 PHE 53 HE2 PHE 53 1.344 -1.481 -5.534 432 HZ PHE 53 HZ PHE 53 0.300 -2.833 -7.306 433 H ARG 54 H ARG 54 -5.829 0.307 -4.298 434 HA ARG 54 HA ARG 54 -6.936 2.437 -2.751 435 HB2 ARG 54 1HB ARG 54 -9.013 1.101 -2.849 436 HB3 ARG 54 2HB ARG 54 -8.274 1.272 -4.436 437 HG2 ARG 54 1HG ARG 54 -7.361 -0.966 -4.288 438 HG3 ARG 54 2HG ARG 54 -8.008 -1.143 -2.657 439 HD2 ARG 54 1HD ARG 54 -10.284 -0.902 -3.563 440 HD3 ARG 54 2HD ARG 54 -9.609 -0.793 -5.191 441 HE ARG 54 HE ARG 54 -8.688 -3.139 -3.912 442 HH11 ARG 54 1HH1 ARG 54 -11.592 -1.816 -5.382 443 HH12 ARG 54 2HH1 ARG 54 -12.222 -3.378 -5.818 444 HH21 ARG 54 1HH2 ARG 54 -9.507 -5.173 -4.475 445 HH22 ARG 54 2HH2 ARG 54 -11.027 -5.289 -5.318 446 H LEU 55 H LEU 55 -7.422 2.502 -0.609 447 HA LEU 55 HA LEU 55 -6.921 0.078 0.984 448 HB2 LEU 55 1HB LEU 55 -6.203 2.911 1.751 449 HB3 LEU 55 2HB LEU 55 -6.038 1.505 2.784 450 HG LEU 55 HG LEU 55 -4.535 1.899 0.195 451 HD11 LEU 55 1HD1 LEU 55 -2.605 2.376 1.603 452 HD12 LEU 55 2HD1 LEU 55 -3.621 2.280 3.042 453 HD13 LEU 55 3HD1 LEU 55 -3.886 3.561 1.858 454 HD21 LEU 55 3HD2 LEU 55 -4.206 -0.110 2.423 455 HD22 LEU 55 1HD2 LEU 55 -3.163 0.049 1.009 456 HD23 LEU 55 2HD2 LEU 55 -4.846 -0.441 0.812 457 H GLN 56 H GLN 56 -8.309 -0.280 2.676 458 HA GLN 56 HA GLN 56 -10.697 1.398 2.788 459 HB2 GLN 56 1HB GLN 56 -10.759 -1.156 2.754 460 HB3 GLN 56 2HB GLN 56 -10.136 -1.098 4.398 461 HG2 GLN 56 1HG GLN 56 -12.116 0.265 5.032 462 HG3 GLN 56 2HG GLN 56 -12.751 0.011 3.406 463 HE21 GLN 56 2HE2 GLN 56 -13.891 -0.784 5.943 464 HE22 GLN 56 1HE2 GLN 56 -14.067 -2.505 5.885 465 H ALA 57 H ALA 57 -11.518 1.985 5.025 466 HA ALA 57 HA ALA 57 -9.775 3.616 6.397 467 HB1 ALA 57 3HB ALA 57 -12.211 3.750 6.586 468 HB2 ALA 57 1HB ALA 57 -11.440 3.701 8.171 469 HB3 ALA 57 2HB ALA 57 -12.221 2.258 7.524 470 H GLN 58 H GLN 58 -10.454 0.207 6.953 471 HA GLN 58 HA GLN 58 -9.130 -0.113 9.409 472 HB2 GLN 58 1HB GLN 58 -9.379 -2.109 7.149 473 HB3 GLN 58 2HB GLN 58 -9.012 -2.488 8.826 474 HG2 GLN 58 1HG GLN 58 -11.201 -1.756 9.514 475 HG3 GLN 58 2HG GLN 58 -11.572 -1.230 7.873 476 HE21 GLN 58 2HE2 GLN 58 -12.942 -3.170 9.559 477 HE22 GLN 58 1HE2 GLN 58 -12.938 -4.664 8.674 478 H GLN 59 H GLN 59 -7.970 -0.698 6.102 479 HA GLN 59 HA GLN 59 -5.308 -1.313 6.791 480 HB2 GLN 59 1HB GLN 59 -6.516 -0.283 4.220 481 HB3 GLN 59 2HB GLN 59 -4.858 -0.844 4.370 482 HG2 GLN 59 1HG GLN 59 -5.523 -3.058 4.758 483 HG3 GLN 59 2HG GLN 59 -7.190 -2.585 5.089 484 HE21 GLN 59 2HE2 GLN 59 -6.040 -4.492 3.125 485 HE22 GLN 59 1HE2 GLN 59 -6.646 -3.967 1.590 486 H TYR 60 H TYR 60 -6.912 1.676 5.879 487 HA TYR 60 HA TYR 60 -4.709 3.354 5.605 488 HB2 TYR 60 1HB TYR 60 -6.877 4.052 4.878 489 HB3 TYR 60 2HB TYR 60 -7.550 3.863 6.488 490 HD1 TYR 60 HD1 TYR 60 -4.909 5.831 4.713 491 HD2 TYR 60 HD2 TYR 60 -7.880 5.745 7.757 492 HE1 TYR 60 HE1 TYR 60 -4.544 8.227 5.132 493 HE2 TYR 60 HE2 TYR 60 -7.517 8.135 8.190 494 HH TYR 60 HH TYR 60 -5.980 9.856 7.853 495 H HIS 61 H HIS 61 -6.427 2.326 8.511 496 HA HIS 61 HA HIS 61 -4.826 4.063 10.198 497 HB2 HIS 61 1HB HIS 61 -7.226 3.619 10.693 498 HB3 HIS 61 2HB HIS 61 -6.830 1.928 10.969 499 HD1 HIS 61 HD1 HIS 61 -6.481 5.340 12.512 500 HD2 HIS 61 HD2 HIS 61 -5.678 1.362 13.439 501 HE1 HIS 61 HE1 HIS 61 -5.944 5.305 14.972 502 HE2 HIS 61 HE2 HIS 61 -5.400 2.898 15.501 503 H ALA 62 H ALA 62 -4.676 0.913 8.912 504 HA ALA 62 HA ALA 62 -3.115 -0.268 11.029 505 HB1 ALA 62 3HB ALA 62 -2.972 -2.203 9.552 506 HB2 ALA 62 1HB ALA 62 -3.676 -1.262 8.237 507 HB3 ALA 62 2HB ALA 62 -4.634 -1.625 9.673 508 H LEU 63 H LEU 63 -2.494 1.044 7.801 509 HA LEU 63 HA LEU 63 0.382 0.723 8.310 510 HB2 LEU 63 1HB LEU 63 0.679 0.979 5.874 511 HB3 LEU 63 2HB LEU 63 -0.291 -0.412 6.310 512 HG LEU 63 HG LEU 63 -2.250 1.397 5.865 513 HD11 LEU 63 1HD1 LEU 63 -0.030 2.113 3.957 514 HD12 LEU 63 2HD1 LEU 63 -0.719 3.160 5.200 515 HD13 LEU 63 3HD1 LEU 63 -1.708 2.642 3.833 516 HD21 LEU 63 3HD2 LEU 63 -0.879 -0.312 3.793 517 HD22 LEU 63 1HD2 LEU 63 -2.516 0.337 3.675 518 HD23 LEU 63 2HD2 LEU 63 -2.122 -0.841 4.929 519 H THR 64 H THR 64 1.795 2.472 7.757 520 HA THR 64 HA THR 64 0.455 5.073 8.109 521 HB THR 64 HB THR 64 3.218 4.358 9.109 522 HG1 THR 64 HG1 THR 64 1.660 3.066 10.186 523 HG21 THR 64 3HG2 THR 64 2.893 6.318 10.557 524 HG22 THR 64 1HG2 THR 64 1.324 6.606 9.806 525 HG23 THR 64 2HG2 THR 64 2.799 6.749 8.850 526 H VAL 65 H VAL 65 1.297 6.856 6.973 527 HA VAL 65 HA VAL 65 2.766 6.375 4.599 528 HB VAL 65 HB VAL 65 2.006 8.903 6.055 529 HG11 VAL 65 1HG1 VAL 65 2.868 10.170 4.132 530 HG12 VAL 65 2HG1 VAL 65 3.566 8.688 3.481 531 HG13 VAL 65 3HG1 VAL 65 4.160 9.346 5.006 532 HG21 VAL 65 3HG2 VAL 65 0.624 9.232 4.038 533 HG22 VAL 65 1HG2 VAL 65 0.230 7.735 4.884 534 HG23 VAL 65 2HG2 VAL 65 1.204 7.686 3.412 535 H GLY 66 H GLY 66 4.863 6.057 4.374 536 HA2 GLY 66 1HA GLY 66 7.163 6.528 4.828 537 HA3 GLY 66 2HA GLY 66 6.705 7.051 6.445 538 H ASP 67 H ASP 67 4.903 4.411 5.986 539 HA ASP 67 HA ASP 67 6.579 2.772 7.635 540 HB2 ASP 67 1HB ASP 67 4.061 2.856 7.765 541 HB3 ASP 67 2HB ASP 67 4.015 1.986 6.239 542 H GLN 68 H GLN 68 8.405 2.332 6.451 543 HA GLN 68 HA GLN 68 8.317 1.033 3.906 544 HB2 GLN 68 1HB GLN 68 10.546 1.109 5.952 545 HB3 GLN 68 2HB GLN 68 10.707 0.642 4.263 546 HG2 GLN 68 1HG GLN 68 10.155 2.879 3.548 547 HG3 GLN 68 2HG GLN 68 9.847 3.366 5.213 548 HE21 GLN 68 2HE2 GLN 68 11.747 4.405 3.232 549 HE22 GLN 68 1HE2 GLN 68 13.302 4.297 3.974 550 H GLY 69 H GLY 69 7.509 -0.959 3.646 551 HA2 GLY 69 1HA GLY 69 8.336 -3.115 5.372 552 HA3 GLY 69 2HA GLY 69 6.652 -2.660 5.581 553 H THR 70 H THR 70 6.419 -4.954 4.906 554 HA THR 70 HA THR 70 7.047 -5.547 2.142 555 HB THR 70 HB THR 70 5.884 -7.786 2.903 556 HG1 THR 70 HG1 THR 70 5.363 -6.543 4.995 557 HG21 THR 70 3HG2 THR 70 8.590 -6.897 3.909 558 HG22 THR 70 1HG2 THR 70 8.242 -7.563 2.313 559 HG23 THR 70 2HG2 THR 70 8.055 -8.571 3.749 560 H LEU 71 H LEU 71 5.610 -5.879 0.530 561 HA LEU 71 HA LEU 71 2.778 -5.328 1.125 562 HB2 LEU 71 1HB LEU 71 3.841 -3.555 -0.177 563 HB3 LEU 71 2HB LEU 71 4.381 -4.726 -1.363 564 HG LEU 71 HG LEU 71 2.032 -5.185 -1.968 565 HD11 LEU 71 1HD1 LEU 71 1.405 -2.953 -0.042 566 HD12 LEU 71 2HD1 LEU 71 0.997 -4.656 0.170 567 HD13 LEU 71 3HD1 LEU 71 0.260 -3.730 -1.136 568 HD21 LEU 71 3HD2 LEU 71 3.291 -3.523 -3.223 569 HD22 LEU 71 1HD2 LEU 71 2.810 -2.272 -2.076 570 HD23 LEU 71 2HD2 LEU 71 1.596 -3.050 -3.092 571 H SER 72 H SER 72 1.363 -6.853 0.625 572 HA SER 72 HA SER 72 2.286 -9.225 -0.850 573 HB2 SER 72 1HB SER 72 -0.169 -8.870 0.892 574 HB3 SER 72 2HB SER 72 0.444 -10.384 0.233 575 HG SER 72 HG SER 72 1.747 -8.705 2.116 576 H TYR 73 H TYR 73 1.808 -9.159 -2.958 577 HA TYR 73 HA TYR 73 -0.934 -8.492 -3.713 578 HB2 TYR 73 1HB TYR 73 -0.131 -7.166 -5.654 579 HB3 TYR 73 2HB TYR 73 0.251 -6.424 -4.107 580 HD1 TYR 73 HD1 TYR 73 2.575 -6.381 -3.293 581 HD2 TYR 73 HD2 TYR 73 1.608 -7.919 -7.142 582 HE1 TYR 73 HE1 TYR 73 4.936 -6.217 -3.945 583 HE2 TYR 73 HE2 TYR 73 3.972 -7.757 -7.804 584 HH TYR 73 HH TYR 73 6.460 -7.328 -5.616 585 H LYS 74 H LYS 74 -1.600 -9.381 -5.712 586 HA LYS 74 HA LYS 74 0.198 -11.435 -6.824 587 HB2 LYS 74 1HB LYS 74 -2.796 -11.597 -6.424 588 HB3 LYS 74 2HB LYS 74 -1.856 -12.763 -7.345 589 HG2 LYS 74 1HG LYS 74 -0.625 -13.391 -5.359 590 HG3 LYS 74 2HG LYS 74 -1.466 -12.154 -4.422 591 HD2 LYS 74 1HD LYS 74 -3.590 -13.292 -4.809 592 HD3 LYS 74 2HD LYS 74 -2.769 -14.513 -5.781 593 HE2 LYS 74 1HE LYS 74 -1.477 -15.213 -3.839 594 HE3 LYS 74 2HE LYS 74 -2.237 -13.957 -2.864 595 HZ1 LYS 74 3HZ LYS 74 -3.515 -16.369 -4.028 596 HZ2 LYS 74 1HZ LYS 74 -4.406 -15.070 -3.392 597 HZ3 LYS 74 2HZ LYS 74 -3.363 -15.951 -2.393 598 H GLY 75 H GLY 75 0.906 -10.070 -8.455 599 HA2 GLY 75 1HA GLY 75 0.816 -9.142 -10.571 600 HA3 GLY 75 2HA GLY 75 -0.862 -9.666 -10.683 601 H THR 76 H THR 76 -2.308 -8.082 -10.770 602 HA THR 76 HA THR 76 -1.591 -5.464 -9.671 603 HB THR 76 HB THR 76 -3.673 -4.696 -10.891 604 HG1 THR 76 HG1 THR 76 -3.514 -7.028 -12.450 605 HG21 THR 76 3HG2 THR 76 -2.593 -4.715 -13.091 606 HG22 THR 76 1HG2 THR 76 -1.480 -5.965 -12.534 607 HG23 THR 76 2HG2 THR 76 -1.437 -4.358 -11.810 608 H ARG 77 H ARG 77 -2.877 -8.136 -8.494 609 HA ARG 77 HA ARG 77 -5.283 -7.061 -7.272 610 HB2 ARG 77 1HB ARG 77 -3.932 -9.742 -6.909 611 HB3 ARG 77 2HB ARG 77 -5.529 -9.305 -6.316 612 HG2 ARG 77 1HG ARG 77 -6.421 -9.209 -8.492 613 HG3 ARG 77 2HG ARG 77 -4.819 -9.243 -9.231 614 HD2 ARG 77 1HD ARG 77 -4.502 -11.524 -8.307 615 HD3 ARG 77 2HD ARG 77 -6.166 -11.479 -7.723 616 HE ARG 77 HE ARG 77 -6.930 -11.733 -9.891 617 HH11 ARG 77 1HH1 ARG 77 -3.452 -11.285 -9.863 618 HH12 ARG 77 2HH1 ARG 77 -3.248 -11.756 -11.520 619 HH21 ARG 77 1HH2 ARG 77 -6.663 -12.354 -12.072 620 HH22 ARG 77 2HH2 ARG 77 -5.077 -12.370 -12.781 621 H PHE 78 H PHE 78 -4.978 -5.705 -5.635 622 HA PHE 78 HA PHE 78 -2.728 -5.869 -3.864 623 HB2 PHE 78 1HB PHE 78 -3.767 -3.709 -4.427 624 HB3 PHE 78 2HB PHE 78 -5.269 -4.229 -3.677 625 HD1 PHE 78 HD1 PHE 78 -1.750 -3.340 -3.014 626 HD2 PHE 78 HD2 PHE 78 -5.600 -4.044 -1.345 627 HE1 PHE 78 HE1 PHE 78 -0.990 -2.406 -0.869 628 HE2 PHE 78 HE2 PHE 78 -4.843 -3.116 0.803 629 HZ PHE 78 HZ PHE 78 -2.533 -2.289 1.044 630 H VAL 79 H VAL 79 -2.616 -7.544 -2.501 631 HA VAL 79 HA VAL 79 -5.007 -8.693 -1.345 632 HB VAL 79 HB VAL 79 -2.097 -9.377 -0.875 633 HG11 VAL 79 1HG1 VAL 79 -4.591 -10.903 -0.126 634 HG12 VAL 79 2HG1 VAL 79 -3.516 -10.061 0.991 635 HG13 VAL 79 3HG1 VAL 79 -2.930 -11.458 0.089 636 HG21 VAL 79 3HG2 VAL 79 -4.166 -10.669 -2.653 637 HG22 VAL 79 1HG2 VAL 79 -2.551 -11.305 -2.338 638 HG23 VAL 79 2HG2 VAL 79 -2.745 -9.768 -3.179 639 H GLY 80 H GLY 80 -2.101 -6.997 -0.195 640 HA2 GLY 80 1HA GLY 80 -3.302 -5.318 1.588 641 HA3 GLY 80 2HA GLY 80 -3.086 -6.805 2.499 642 H PHE 81 H PHE 81 -1.879 -4.210 2.969 643 HA PHE 81 HA PHE 81 0.943 -4.687 2.378 644 HB2 PHE 81 1HB PHE 81 0.055 -2.407 2.047 645 HB3 PHE 81 2HB PHE 81 -0.407 -2.342 3.743 646 HD1 PHE 81 HD1 PHE 81 2.506 -2.624 1.477 647 HD2 PHE 81 HD2 PHE 81 1.109 -1.635 5.370 648 HE1 PHE 81 HE1 PHE 81 4.720 -1.710 2.038 649 HE2 PHE 81 HE2 PHE 81 3.318 -0.719 5.939 650 HZ PHE 81 HZ PHE 81 5.130 -0.758 4.271 651 H VAL 82 H VAL 82 2.349 -5.431 3.873 652 HA VAL 82 HA VAL 82 1.263 -5.925 6.569 653 HB VAL 82 HB VAL 82 3.326 -7.579 5.102 654 HG11 VAL 82 1HG1 VAL 82 3.030 -9.173 6.932 655 HG12 VAL 82 2HG1 VAL 82 1.904 -8.065 7.715 656 HG13 VAL 82 3HG1 VAL 82 3.598 -7.613 7.528 657 HG21 VAL 82 3HG2 VAL 82 0.412 -8.145 5.626 658 HG22 VAL 82 1HG2 VAL 82 1.569 -9.295 4.958 659 HG23 VAL 82 2HG2 VAL 82 1.155 -7.838 4.057 660 H SER 83 H SER 83 2.133 -4.454 7.883 661 HA SER 83 HA SER 83 4.717 -3.322 7.537 662 HB2 SER 83 1HB SER 83 3.029 -3.400 10.050 663 HB3 SER 83 2HB SER 83 4.329 -2.265 9.687 664 HG SER 83 HG SER 83 3.039 -1.143 8.438 665 H ARG 84 H ARG 84 6.611 -3.711 8.766 666 HA ARG 84 HA ARG 84 6.660 -6.403 9.965 667 HB2 ARG 84 1HB ARG 84 8.033 -5.455 7.700 668 HB3 ARG 84 2HB ARG 84 9.239 -5.580 8.973 669 HG2 ARG 84 1HG ARG 84 8.964 -7.866 9.192 670 HG3 ARG 84 2HG ARG 84 7.358 -7.844 8.464 671 HD2 ARG 84 1HD ARG 84 8.326 -7.368 6.285 672 HD3 ARG 84 2HD ARG 84 9.939 -7.303 6.994 673 HE ARG 84 HE ARG 84 9.991 -9.600 7.053 674 HH11 ARG 84 1HH1 ARG 84 6.759 -8.541 6.183 675 HH12 ARG 84 2HH1 ARG 84 6.204 -10.147 5.832 676 HH21 ARG 84 1HH2 ARG 84 9.253 -11.705 6.534 677 HH22 ARG 84 2HH2 ARG 84 7.602 -11.928 6.034 678 H THR 85 H THR 85 6.676 -6.045 12.080 679 HA THR 85 HA THR 85 7.761 -3.840 13.418 680 HB THR 85 HB THR 85 7.395 -6.600 14.592 681 HG1 THR 85 HG1 THR 85 5.380 -6.347 13.999 682 HG21 THR 85 3HG2 THR 85 8.473 -4.980 16.069 683 HG22 THR 85 1HG2 THR 85 6.844 -5.347 16.637 684 HG23 THR 85 2HG2 THR 85 7.162 -3.833 15.788 685 HA PRO 86 HA PRO 86 12.157 -4.508 13.184 686 HB2 PRO 86 1HB PRO 86 12.669 -3.343 15.691 687 HB3 PRO 86 2HB PRO 86 12.673 -2.517 14.131 688 HG2 PRO 86 1HG PRO 86 10.531 -2.664 16.194 689 HG3 PRO 86 2HG PRO 86 10.960 -1.330 15.107 690 HD2 PRO 86 1HD PRO 86 8.798 -2.837 14.659 691 HD3 PRO 86 2HD PRO 86 9.805 -2.256 13.315 692 H ASP 87 H ASP 87 13.278 -6.251 13.643 693 HA ASP 87 HA ASP 87 12.341 -8.213 15.459 694 HB2 ASP 87 1HB ASP 87 14.452 -9.419 14.805 695 HB3 ASP 87 2HB ASP 87 13.430 -8.935 13.456 696 H ASN 88 H ASN 88 13.650 -9.229 17.141 697 HA ASN 88 HA ASN 88 15.245 -7.249 18.631 698 HB2 ASN 88 1HB ASN 88 13.203 -9.197 19.730 699 HB3 ASN 88 2HB ASN 88 14.296 -8.239 20.720 700 HD21 ASN 88 2HD2 ASN 88 11.455 -8.216 18.737 701 HD22 ASN 88 1HD2 ASN 88 10.941 -6.614 19.149 702 H GLU 89 H GLU 89 17.160 -7.945 19.380 703 HA GLU 89 HA GLU 89 18.123 -10.559 18.797 704 HB2 GLU 89 1HB GLU 89 19.599 -8.582 18.902 705 HB3 GLU 89 2HB GLU 89 19.268 -8.429 20.622 706 HG2 GLU 89 1HG GLU 89 21.414 -9.447 20.300 707 HG3 GLU 89 2HG GLU 89 20.304 -10.629 20.991 708 H LEU 90 H LEU 90 16.976 -8.914 21.680 709 HA LEU 90 HA LEU 90 17.167 -11.381 23.229 710 HB2 LEU 90 1HB LEU 90 17.987 -9.243 24.196 711 HB3 LEU 90 2HB LEU 90 16.356 -8.607 24.105 712 HG LEU 90 HG LEU 90 15.595 -10.314 25.701 713 HD11 LEU 90 1HD1 LEU 90 17.230 -11.696 26.886 714 HD12 LEU 90 2HD1 LEU 90 18.505 -11.102 25.819 715 HD13 LEU 90 3HD1 LEU 90 17.186 -12.075 25.163 716 HD21 LEU 90 3HD2 LEU 90 16.304 -8.151 26.544 717 HD22 LEU 90 1HD2 LEU 90 17.975 -8.710 26.632 718 HD23 LEU 90 2HD2 LEU 90 16.748 -9.426 27.679 719 H GLU 91 H GLU 91 15.532 -12.705 22.856 720 HA GLU 91 HA GLU 91 12.970 -11.997 21.967 721 HB2 GLU 91 1HB GLU 91 14.056 -14.245 21.770 722 HB3 GLU 91 2HB GLU 91 13.780 -14.486 23.487 723 HG2 GLU 91 1HG GLU 91 11.497 -13.909 21.646 724 HG3 GLU 91 2HG GLU 91 12.168 -15.533 21.770 725 H HIS 92 H HIS 92 13.781 -13.334 25.175 726 HA HIS 92 HA HIS 92 11.485 -11.947 26.313 727 HB2 HIS 92 1HB HIS 92 13.106 -14.262 27.065 728 HB3 HIS 92 2HB HIS 92 12.791 -13.178 28.416 729 HD1 HIS 92 HD1 HIS 92 10.912 -15.182 25.794 730 HD2 HIS 92 HD2 HIS 92 10.292 -13.374 29.495 731 HE1 HIS 92 HE1 HIS 92 8.626 -15.922 26.546 732 HE2 HIS 92 HE2 HIS 92 8.296 -14.876 28.817 733 H HIS 93 H HIS 93 11.829 -9.869 26.689 734 HA HIS 93 HA HIS 93 14.415 -8.767 27.102 735 HB2 HIS 93 1HB HIS 93 11.643 -7.606 27.291 736 HB3 HIS 93 2HB HIS 93 13.081 -6.658 27.649 737 HD1 HIS 93 HD1 HIS 93 11.104 -8.077 24.854 738 HD2 HIS 93 HD2 HIS 93 14.707 -6.074 25.408 739 HE1 HIS 93 HE1 HIS 93 11.814 -7.311 22.566 740 HE2 HIS 93 HE2 HIS 93 13.872 -5.904 22.966 741 H HIS 94 H HIS 94 15.418 -8.072 28.867 742 HA HIS 94 HA HIS 94 14.045 -8.271 31.463 743 HB2 HIS 94 1HB HIS 94 16.911 -9.062 30.858 744 HB3 HIS 94 2HB HIS 94 16.228 -8.945 32.476 745 HD1 HIS 94 HD1 HIS 94 17.050 -11.388 30.090 746 HD2 HIS 94 HD2 HIS 94 13.754 -10.763 32.555 747 HE1 HIS 94 HE1 HIS 94 15.888 -13.618 30.256 748 HE2 HIS 94 HE2 HIS 94 13.814 -13.179 31.628 749 H HIS 95 H HIS 95 14.111 -6.393 32.562 750 HA HIS 95 HA HIS 95 15.429 -4.138 31.399 751 HB2 HIS 95 1HB HIS 95 13.230 -4.072 32.656 752 HB3 HIS 95 2HB HIS 95 14.162 -4.262 34.138 753 HD1 HIS 95 HD1 HIS 95 13.951 -2.009 35.206 754 HD2 HIS 95 HD2 HIS 95 14.977 -1.770 31.180 755 HE1 HIS 95 HE1 HIS 95 14.426 0.422 34.765 756 HE2 HIS 95 HE2 HIS 95 14.935 0.564 32.298 757 H HIS 96 H HIS 96 17.568 -4.805 31.385 758 HA HIS 96 HA HIS 96 19.379 -4.067 33.285 759 HB2 HIS 96 1HB HIS 96 18.318 -5.705 34.817 760 HB3 HIS 96 2HB HIS 96 18.642 -6.989 33.659 761 HD1 HIS 96 HD1 HIS 96 20.838 -8.163 33.869 762 HD2 HIS 96 HD2 HIS 96 20.746 -4.570 35.962 763 HE1 HIS 96 HE1 HIS 96 22.976 -8.089 35.190 764 HE2 HIS 96 HE2 HIS 96 22.770 -6.031 36.630 765 H HIS 97 H HIS 97 18.348 -6.229 30.819 766 HA HIS 97 HA HIS 97 19.313 -7.218 29.032 767 HB2 HIS 97 1HB HIS 97 21.589 -5.321 29.636 768 HB3 HIS 97 2HB HIS 97 21.526 -6.361 28.219 769 HD1 HIS 97 HD1 HIS 97 21.236 -3.038 28.773 770 HD2 HIS 97 HD2 HIS 97 18.581 -5.765 27.101 771 HE1 HIS 97 HE1 HIS 97 19.648 -1.670 27.376 772 HE2 HIS 97 HE2 HIS 97 18.066 -3.343 26.343 Start of MODEL 16 1 H1 MET 1 1H MET 1 7.079 -21.161 -6.812 2 H2 MET 1 2H MET 1 8.636 -21.452 -7.412 3 H3 MET 1 3H MET 1 8.137 -19.864 -7.086 4 HA MET 1 HA MET 1 8.554 -22.026 -5.109 5 HB2 MET 1 1HB MET 1 10.622 -21.012 -6.033 6 HB3 MET 1 2HB MET 1 10.045 -19.428 -5.537 7 HG2 MET 1 1HG MET 1 10.098 -20.124 -3.207 8 HG3 MET 1 2HG MET 1 10.638 -21.729 -3.690 9 HE1 MET 1 3HE MET 1 12.641 -20.984 -6.083 10 HE2 MET 1 1HE MET 1 13.002 -22.198 -4.856 11 HE3 MET 1 2HE MET 1 14.176 -20.931 -5.215 12 H ALA 2 H ALA 2 7.703 -18.610 -5.643 13 HA ALA 2 HA ALA 2 6.241 -18.709 -3.087 14 HB1 ALA 2 3HB ALA 2 8.246 -17.329 -2.852 15 HB2 ALA 2 1HB ALA 2 6.779 -16.358 -2.726 16 HB3 ALA 2 2HB ALA 2 7.726 -16.337 -4.215 17 HA PRO 3 HA PRO 3 2.934 -17.791 -6.050 18 HB2 PRO 3 1HB PRO 3 1.304 -18.150 -3.616 19 HB3 PRO 3 2HB PRO 3 1.192 -18.976 -5.172 20 HG2 PRO 3 1HG PRO 3 2.118 -20.226 -2.989 21 HG3 PRO 3 2HG PRO 3 2.780 -20.554 -4.602 22 HD2 PRO 3 1HD PRO 3 3.907 -18.867 -2.399 23 HD3 PRO 3 2HD PRO 3 4.738 -19.986 -3.501 24 H LEU 4 H LEU 4 3.126 -16.643 -2.709 25 HA LEU 4 HA LEU 4 1.940 -14.084 -3.475 26 HB2 LEU 4 1HB LEU 4 1.164 -15.254 -1.413 27 HB3 LEU 4 2HB LEU 4 2.778 -15.092 -0.754 28 HG LEU 4 HG LEU 4 2.542 -12.638 -0.814 29 HD11 LEU 4 1HD1 LEU 4 0.340 -11.654 -1.196 30 HD12 LEU 4 2HD1 LEU 4 -0.296 -13.239 -1.640 31 HD13 LEU 4 3HD1 LEU 4 0.935 -12.470 -2.642 32 HD21 LEU 4 3HD2 LEU 4 0.960 -12.491 1.049 33 HD22 LEU 4 1HD2 LEU 4 2.028 -13.882 1.215 34 HD23 LEU 4 2HD2 LEU 4 0.366 -14.108 0.671 35 H GLN 5 H GLN 5 3.394 -12.741 -4.357 36 HA GLN 5 HA GLN 5 6.175 -12.902 -3.622 37 HB2 GLN 5 1HB GLN 5 4.645 -11.190 -5.571 38 HB3 GLN 5 2HB GLN 5 6.351 -10.918 -5.232 39 HG2 GLN 5 1HG GLN 5 5.167 -13.487 -6.267 40 HG3 GLN 5 2HG GLN 5 6.004 -12.276 -7.239 41 HE21 GLN 5 2HE2 GLN 5 6.621 -15.117 -6.667 42 HE22 GLN 5 1HE2 GLN 5 8.235 -15.113 -6.036 43 H GLN 6 H GLN 6 6.873 -12.034 -1.847 44 HA GLN 6 HA GLN 6 5.593 -9.597 -0.842 45 HB2 GLN 6 1HB GLN 6 7.199 -11.724 0.575 46 HB3 GLN 6 2HB GLN 6 6.711 -10.212 1.328 47 HG2 GLN 6 1HG GLN 6 4.350 -10.811 0.900 48 HG3 GLN 6 2HG GLN 6 4.896 -12.369 0.278 49 HE21 GLN 6 2HE2 GLN 6 3.199 -11.692 2.584 50 HE22 GLN 6 1HE2 GLN 6 3.958 -12.434 3.956 51 H LYS 7 H LYS 7 6.635 -7.825 -1.348 52 HA LYS 7 HA LYS 7 9.552 -7.775 -0.996 53 HB2 LYS 7 1HB LYS 7 8.856 -7.838 -3.451 54 HB3 LYS 7 2HB LYS 7 8.128 -6.260 -3.189 55 HG2 LYS 7 1HG LYS 7 10.355 -5.423 -2.462 56 HG3 LYS 7 2HG LYS 7 11.036 -6.983 -2.923 57 HD2 LYS 7 1HD LYS 7 10.134 -6.604 -5.224 58 HD3 LYS 7 2HD LYS 7 9.681 -4.976 -4.716 59 HE2 LYS 7 1HE LYS 7 12.451 -6.151 -4.861 60 HE3 LYS 7 2HE LYS 7 11.787 -4.847 -5.843 61 HZ1 LYS 7 3HZ LYS 7 13.136 -3.842 -4.207 62 HZ2 LYS 7 1HZ LYS 7 12.475 -4.784 -2.959 63 HZ3 LYS 7 2HZ LYS 7 11.542 -3.583 -3.699 64 H GLN 8 H GLN 8 10.316 -5.904 -0.019 65 HA GLN 8 HA GLN 8 8.307 -4.392 1.377 66 HB2 GLN 8 1HB GLN 8 11.322 -4.214 1.459 67 HB3 GLN 8 2HB GLN 8 10.234 -3.313 2.509 68 HG2 GLN 8 1HG GLN 8 9.322 -5.494 3.307 69 HG3 GLN 8 2HG GLN 8 10.590 -6.295 2.385 70 HE21 GLN 8 2HE2 GLN 8 10.055 -6.292 5.239 71 HE22 GLN 8 1HE2 GLN 8 11.498 -5.719 6.005 72 H VAL 9 H VAL 9 7.634 -2.403 1.001 73 HA VAL 9 HA VAL 9 8.927 -0.860 -1.154 74 HB VAL 9 HB VAL 9 6.629 -0.072 -1.809 75 HG11 VAL 9 1HG1 VAL 9 7.176 -3.023 -2.132 76 HG12 VAL 9 2HG1 VAL 9 7.829 -1.731 -3.137 77 HG13 VAL 9 3HG1 VAL 9 6.096 -2.058 -3.140 78 HG21 VAL 9 3HG2 VAL 9 5.745 -2.396 -0.099 79 HG22 VAL 9 1HG2 VAL 9 4.711 -1.464 -1.182 80 HG23 VAL 9 2HG2 VAL 9 5.441 -0.689 0.224 81 H VAL 10 H VAL 10 7.933 1.447 -1.173 82 HA VAL 10 HA VAL 10 7.920 2.430 1.602 83 HB VAL 10 HB VAL 10 8.375 3.998 -0.947 84 HG11 VAL 10 1HG1 VAL 10 7.484 5.363 0.854 85 HG12 VAL 10 2HG1 VAL 10 9.175 5.767 0.557 86 HG13 VAL 10 3HG1 VAL 10 8.735 4.773 1.947 87 HG21 VAL 10 3HG2 VAL 10 10.187 2.414 -0.574 88 HG22 VAL 10 1HG2 VAL 10 10.384 3.012 1.073 89 HG23 VAL 10 2HG2 VAL 10 10.730 4.069 -0.296 90 H VAL 11 H VAL 11 6.011 3.093 2.409 91 HA VAL 11 HA VAL 11 3.747 3.553 0.696 92 HB VAL 11 HB VAL 11 4.032 4.182 3.642 93 HG11 VAL 11 1HG1 VAL 11 1.584 4.083 3.665 94 HG12 VAL 11 2HG1 VAL 11 1.579 3.818 1.922 95 HG13 VAL 11 3HG1 VAL 11 2.169 5.343 2.579 96 HG21 VAL 11 3HG2 VAL 11 2.916 2.026 4.018 97 HG22 VAL 11 1HG2 VAL 11 4.477 1.829 3.219 98 HG23 VAL 11 2HG2 VAL 11 2.988 1.698 2.285 99 H SER 12 H SER 12 4.063 5.247 -0.637 100 HA SER 12 HA SER 12 5.620 7.492 -0.115 101 HB2 SER 12 1HB SER 12 3.295 7.331 -2.044 102 HB3 SER 12 2HB SER 12 4.674 8.427 -2.139 103 HG SER 12 HG SER 12 5.197 6.808 -3.488 104 H ASN 13 H ASN 13 2.065 7.368 -0.304 105 HA ASN 13 HA ASN 13 1.659 8.944 1.997 106 HB2 ASN 13 1HB ASN 13 2.627 10.676 0.418 107 HB3 ASN 13 2HB ASN 13 1.206 10.442 -0.593 108 HD21 ASN 13 2HD2 ASN 13 0.474 12.521 -0.344 109 HD22 ASN 13 1HD2 ASN 13 -0.177 13.114 1.147 110 H LYS 14 H LYS 14 -0.537 9.294 2.422 111 HA LYS 14 HA LYS 14 -2.411 7.648 0.956 112 HB2 LYS 14 1HB LYS 14 -4.018 8.647 2.704 113 HB3 LYS 14 2HB LYS 14 -2.745 7.583 3.291 114 HG2 LYS 14 1HG LYS 14 -1.781 9.207 4.491 115 HG3 LYS 14 2HG LYS 14 -1.973 10.402 3.208 116 HD2 LYS 14 1HD LYS 14 -4.150 9.494 5.089 117 HD3 LYS 14 2HD LYS 14 -3.232 10.994 5.239 118 HE2 LYS 14 1HE LYS 14 -4.071 11.723 3.061 119 HE3 LYS 14 2HE LYS 14 -4.980 10.222 2.904 120 HZ1 LYS 14 3HZ LYS 14 -6.243 10.857 4.883 121 HZ2 LYS 14 1HZ LYS 14 -6.404 11.997 3.635 122 HZ3 LYS 14 2HZ LYS 14 -5.396 12.321 4.963 123 H ARG 15 H ARG 15 -3.615 8.406 -0.702 124 HA ARG 15 HA ARG 15 -3.801 11.334 -0.972 125 HB2 ARG 15 1HB ARG 15 -3.414 9.292 -3.168 126 HB3 ARG 15 2HB ARG 15 -3.677 11.012 -3.425 127 HG2 ARG 15 1HG ARG 15 -1.602 11.518 -2.251 128 HG3 ARG 15 2HG ARG 15 -1.341 9.798 -1.960 129 HD2 ARG 15 1HD ARG 15 -1.237 9.411 -4.376 130 HD3 ARG 15 2HD ARG 15 -1.494 11.132 -4.661 131 HE ARG 15 HE ARG 15 0.673 11.279 -3.178 132 HH11 ARG 15 1HH1 ARG 15 -0.025 9.002 -5.754 133 HH12 ARG 15 2HH1 ARG 15 1.645 8.755 -6.153 134 HH21 ARG 15 1HH2 ARG 15 2.885 10.918 -3.707 135 HH22 ARG 15 2HH2 ARG 15 3.279 9.815 -5.004 136 H GLU 16 H GLU 16 -5.723 12.196 -1.501 137 HA GLU 16 HA GLU 16 -8.012 10.407 -1.663 138 HB2 GLU 16 1HB GLU 16 -7.864 13.426 -1.541 139 HB3 GLU 16 2HB GLU 16 -9.359 12.514 -1.652 140 HG2 GLU 16 1HG GLU 16 -9.200 13.013 0.595 141 HG3 GLU 16 2HG GLU 16 -8.591 11.365 0.505 142 H LYS 17 H LYS 17 -7.952 9.489 -3.634 143 HA LYS 17 HA LYS 17 -7.510 11.124 -6.003 144 HB2 LYS 17 1HB LYS 17 -6.492 8.796 -5.572 145 HB3 LYS 17 2HB LYS 17 -8.093 8.167 -5.929 146 HG2 LYS 17 1HG LYS 17 -7.798 9.631 -8.105 147 HG3 LYS 17 2HG LYS 17 -6.087 9.404 -7.733 148 HD2 LYS 17 1HD LYS 17 -6.776 7.639 -9.203 149 HD3 LYS 17 2HD LYS 17 -6.525 6.948 -7.597 150 HE2 LYS 17 1HE LYS 17 -9.012 7.290 -7.226 151 HE3 LYS 17 2HE LYS 17 -9.126 7.608 -8.955 152 HZ1 LYS 17 3HZ LYS 17 -8.118 5.394 -9.328 153 HZ2 LYS 17 1HZ LYS 17 -9.626 5.330 -8.551 154 HZ3 LYS 17 2HZ LYS 17 -8.200 5.109 -7.657 155 HA PRO 18 HA PRO 18 -11.782 11.936 -7.004 156 HB2 PRO 18 1HB PRO 18 -10.812 10.965 -9.668 157 HB3 PRO 18 2HB PRO 18 -11.825 12.363 -9.285 158 HG2 PRO 18 1HG PRO 18 -9.222 12.657 -9.792 159 HG3 PRO 18 2HG PRO 18 -10.033 13.630 -8.550 160 HD2 PRO 18 1HD PRO 18 -8.108 11.407 -8.243 161 HD3 PRO 18 2HD PRO 18 -8.474 12.745 -7.139 162 H VAL 19 H VAL 19 -13.320 10.602 -6.392 163 HA VAL 19 HA VAL 19 -13.221 7.771 -7.056 164 HB VAL 19 HB VAL 19 -15.193 9.257 -5.305 165 HG11 VAL 19 1HG1 VAL 19 -15.713 7.041 -4.406 166 HG12 VAL 19 2HG1 VAL 19 -14.610 6.312 -5.572 167 HG13 VAL 19 3HG1 VAL 19 -16.062 7.143 -6.131 168 HG21 VAL 19 3HG2 VAL 19 -12.939 9.448 -4.412 169 HG22 VAL 19 1HG2 VAL 19 -12.724 7.702 -4.539 170 HG23 VAL 19 2HG2 VAL 19 -13.910 8.364 -3.414 171 H ASN 20 H ASN 20 -14.793 6.723 -8.272 172 HA ASN 20 HA ASN 20 -15.765 8.289 -10.423 173 HB2 ASN 20 1HB ASN 20 -16.151 5.378 -9.741 174 HB3 ASN 20 2HB ASN 20 -16.734 6.116 -11.230 175 HD21 ASN 20 2HD2 ASN 20 -15.254 6.785 -12.788 176 HD22 ASN 20 1HD2 ASN 20 -13.608 6.252 -12.771 177 H ASP 21 H ASP 21 -17.290 7.125 -7.506 178 HA ASP 21 HA ASP 21 -19.934 7.672 -8.558 179 HB2 ASP 21 1HB ASP 21 -20.752 7.111 -6.276 180 HB3 ASP 21 2HB ASP 21 -19.805 5.831 -7.021 181 H ARG 22 H ARG 22 -17.473 9.542 -7.382 182 HA ARG 22 HA ARG 22 -19.304 11.637 -6.450 183 HB2 ARG 22 1HB ARG 22 -16.455 11.041 -6.014 184 HB3 ARG 22 2HB ARG 22 -16.793 12.737 -6.328 185 HG2 ARG 22 1HG ARG 22 -16.783 12.312 -3.956 186 HG3 ARG 22 2HG ARG 22 -18.408 12.749 -4.484 187 HD2 ARG 22 1HD ARG 22 -19.030 10.378 -4.500 188 HD3 ARG 22 2HD ARG 22 -17.407 9.954 -3.955 189 HE ARG 22 HE ARG 22 -18.434 11.792 -2.131 190 HH11 ARG 22 1HH1 ARG 22 -19.143 8.547 -3.256 191 HH12 ARG 22 2HH1 ARG 22 -19.872 8.055 -1.747 192 HH21 ARG 22 1HH2 ARG 22 -19.356 11.142 -0.138 193 HH22 ARG 22 2HH2 ARG 22 -19.982 9.530 0.019 194 H ARG 23 H ARG 23 -20.158 11.723 -8.645 195 HA ARG 23 HA ARG 23 -20.387 12.566 -10.727 196 HB2 ARG 23 1HB ARG 23 -19.750 14.727 -9.995 197 HB3 ARG 23 2HB ARG 23 -18.061 14.264 -9.843 198 HG2 ARG 23 1HG ARG 23 -17.831 14.126 -12.232 199 HG3 ARG 23 2HG ARG 23 -19.556 14.426 -12.449 200 HD2 ARG 23 1HD ARG 23 -17.855 16.396 -10.978 201 HD3 ARG 23 2HD ARG 23 -17.860 16.371 -12.740 202 HE ARG 23 HE ARG 23 -20.396 16.581 -12.435 203 HH11 ARG 23 1HH1 ARG 23 -18.051 17.949 -10.238 204 HH12 ARG 23 2HH1 ARG 23 -19.033 19.320 -9.822 205 HH21 ARG 23 1HH2 ARG 23 -21.708 18.372 -11.914 206 HH22 ARG 23 2HH2 ARG 23 -21.124 19.567 -10.787 207 H SER 24 H SER 24 -20.095 11.109 -12.231 208 HA SER 24 HA SER 24 -17.611 9.642 -12.377 209 HB2 SER 24 1HB SER 24 -20.043 9.272 -14.125 210 HB3 SER 24 2HB SER 24 -18.814 8.079 -13.700 211 HG SER 24 HG SER 24 -19.564 8.382 -11.466 212 H ARG 25 H ARG 25 -18.693 12.448 -13.781 213 HA ARG 25 HA ARG 25 -17.134 11.967 -16.231 214 HB2 ARG 25 1HB ARG 25 -19.643 12.339 -16.494 215 HB3 ARG 25 2HB ARG 25 -19.352 13.992 -15.965 216 HG2 ARG 25 1HG ARG 25 -17.827 14.323 -17.846 217 HG3 ARG 25 2HG ARG 25 -18.137 12.670 -18.381 218 HD2 ARG 25 1HD ARG 25 -20.558 13.269 -18.547 219 HD3 ARG 25 2HD ARG 25 -20.107 14.943 -18.220 220 HE ARG 25 HE ARG 25 -18.951 13.491 -20.506 221 HH11 ARG 25 1HH1 ARG 25 -20.786 16.176 -19.209 222 HH12 ARG 25 2HH1 ARG 25 -20.884 17.019 -20.724 223 HH21 ARG 25 1HH2 ARG 25 -19.052 14.595 -22.500 224 HH22 ARG 25 2HH2 ARG 25 -19.864 16.130 -22.600 225 H GLN 26 H GLN 26 -15.395 13.185 -16.497 226 HA GLN 26 HA GLN 26 -14.715 15.095 -14.442 227 HB2 GLN 26 1HB GLN 26 -13.065 13.480 -15.255 228 HB3 GLN 26 2HB GLN 26 -13.185 14.157 -16.872 229 HG2 GLN 26 1HG GLN 26 -12.360 16.314 -15.967 230 HG3 GLN 26 2HG GLN 26 -12.112 15.514 -14.414 231 HE21 GLN 26 2HE2 GLN 26 -9.907 15.890 -14.462 232 HE22 GLN 26 1HE2 GLN 26 -8.847 15.024 -15.518 233 H GLN 27 H GLN 27 -14.986 17.212 -14.551 234 HA GLN 27 HA GLN 27 -15.572 18.487 -17.124 235 HB2 GLN 27 1HB GLN 27 -16.325 20.399 -15.793 236 HB3 GLN 27 2HB GLN 27 -17.121 18.926 -15.255 237 HG2 GLN 27 1HG GLN 27 -15.758 18.791 -13.317 238 HG3 GLN 27 2HG GLN 27 -14.684 20.058 -13.907 239 HE21 GLN 27 2HE2 GLN 27 -15.322 22.201 -13.773 240 HE22 GLN 27 1HE2 GLN 27 -16.660 22.706 -12.792 241 H GLU 28 H GLU 28 -14.711 20.944 -17.020 242 HA GLU 28 HA GLU 28 -11.822 20.822 -16.773 243 HB2 GLU 28 1HB GLU 28 -13.408 22.167 -18.485 244 HB3 GLU 28 2HB GLU 28 -13.243 23.401 -17.247 245 HG2 GLU 28 1HG GLU 28 -10.919 22.049 -18.594 246 HG3 GLU 28 2HG GLU 28 -11.621 23.574 -19.127 247 H VAL 29 H VAL 29 -10.648 21.755 -15.107 248 HA VAL 29 HA VAL 29 -10.273 22.146 -12.896 249 HB VAL 29 HB VAL 29 -12.778 23.851 -12.965 250 HG11 VAL 29 1HG1 VAL 29 -11.708 25.062 -11.118 251 HG12 VAL 29 2HG1 VAL 29 -10.360 23.925 -11.161 252 HG13 VAL 29 3HG1 VAL 29 -11.972 23.364 -10.718 253 HG21 VAL 29 3HG2 VAL 29 -11.270 24.552 -14.740 254 HG22 VAL 29 1HG2 VAL 29 -9.934 24.636 -13.591 255 HG23 VAL 29 2HG2 VAL 29 -11.296 25.746 -13.442 256 H SER 30 H SER 30 -10.883 19.842 -12.800 257 HA SER 30 HA SER 30 -13.559 19.345 -11.734 258 HB2 SER 30 1HB SER 30 -12.720 16.885 -12.255 259 HB3 SER 30 2HB SER 30 -13.352 17.930 -13.527 260 HG SER 30 HG SER 30 -11.397 18.163 -14.345 261 HA PRO 31 HA PRO 31 -11.586 18.152 -7.879 262 HB2 PRO 31 1HB PRO 31 -13.727 18.598 -6.332 263 HB3 PRO 31 2HB PRO 31 -12.751 19.934 -6.949 264 HG2 PRO 31 1HG PRO 31 -15.432 19.001 -7.801 265 HG3 PRO 31 2HG PRO 31 -14.740 20.629 -7.846 266 HD2 PRO 31 1HD PRO 31 -14.933 18.782 -9.993 267 HD3 PRO 31 2HD PRO 31 -14.085 20.340 -9.992 268 H ALA 32 H ALA 32 -13.257 16.876 -6.003 269 HA ALA 32 HA ALA 32 -14.577 14.697 -7.427 270 HB1 ALA 32 3HB ALA 32 -12.427 14.201 -5.367 271 HB2 ALA 32 1HB ALA 32 -12.267 13.936 -7.104 272 HB3 ALA 32 2HB ALA 32 -13.410 12.975 -6.167 273 H GLY 33 H GLY 33 -13.509 15.054 -4.067 274 HA2 GLY 33 1HA GLY 33 -15.444 16.165 -2.688 275 HA3 GLY 33 2HA GLY 33 -16.278 14.703 -3.202 276 H THR 34 H THR 34 -16.244 14.813 -0.655 277 HA THR 34 HA THR 34 -13.891 13.961 0.672 278 HB THR 34 HB THR 34 -16.736 13.482 1.575 279 HG1 THR 34 HG1 THR 34 -15.225 15.748 2.341 280 HG21 THR 34 3HG2 THR 34 -15.029 12.344 2.901 281 HG22 THR 34 1HG2 THR 34 -15.746 13.668 3.821 282 HG23 THR 34 2HG2 THR 34 -14.150 13.860 3.095 283 H SER 35 H SER 35 -12.904 12.135 0.106 284 HA SER 35 HA SER 35 -14.406 9.865 -0.874 285 HB2 SER 35 1HB SER 35 -11.421 10.155 -0.469 286 HB3 SER 35 2HB SER 35 -12.244 8.942 -1.452 287 HG SER 35 HG SER 35 -12.812 11.601 -2.030 288 H MET 36 H MET 36 -15.261 8.476 0.526 289 HA MET 36 HA MET 36 -14.193 8.115 3.174 290 HB2 MET 36 1HB MET 36 -16.370 6.595 1.722 291 HB3 MET 36 2HB MET 36 -15.980 6.426 3.428 292 HG2 MET 36 1HG MET 36 -17.066 8.870 2.053 293 HG3 MET 36 2HG MET 36 -17.915 7.820 3.183 294 HE1 MET 36 3HE MET 36 -15.591 7.290 5.355 295 HE2 MET 36 1HE MET 36 -17.275 7.617 5.768 296 HE3 MET 36 2HE MET 36 -15.984 8.544 6.531 297 H ARG 37 H ARG 37 -13.754 6.696 0.099 298 HA ARG 37 HA ARG 37 -12.146 4.548 1.304 299 HB2 ARG 37 1HB ARG 37 -13.254 4.731 -1.509 300 HB3 ARG 37 2HB ARG 37 -12.277 3.413 -0.881 301 HG2 ARG 37 1HG ARG 37 -14.042 2.881 0.733 302 HG3 ARG 37 2HG ARG 37 -15.022 4.195 0.077 303 HD2 ARG 37 1HD ARG 37 -14.114 1.705 -1.361 304 HD3 ARG 37 2HD ARG 37 -15.760 2.113 -0.879 305 HE ARG 37 HE ARG 37 -14.247 3.271 -3.095 306 HH11 ARG 37 1HH1 ARG 37 -17.218 3.083 -1.264 307 HH12 ARG 37 2HH1 ARG 37 -18.147 3.978 -2.431 308 HH21 ARG 37 1HH2 ARG 37 -15.474 4.401 -4.657 309 HH22 ARG 37 2HH2 ARG 37 -17.157 4.723 -4.369 310 H TYR 38 H TYR 38 -10.239 5.554 1.617 311 HA TYR 38 HA TYR 38 -9.128 7.400 -0.298 312 HB2 TYR 38 1HB TYR 38 -7.741 6.137 2.077 313 HB3 TYR 38 2HB TYR 38 -7.304 7.630 1.255 314 HD1 TYR 38 HD1 TYR 38 -9.631 6.064 3.613 315 HD2 TYR 38 HD2 TYR 38 -8.490 9.694 1.712 316 HE1 TYR 38 HE1 TYR 38 -10.990 7.323 5.224 317 HE2 TYR 38 HE2 TYR 38 -9.850 10.967 3.319 318 HH TYR 38 HH TYR 38 -11.798 10.575 4.797 319 H GLU 39 H GLU 39 -6.902 7.042 -1.177 320 HA GLU 39 HA GLU 39 -6.291 4.195 -1.537 321 HB2 GLU 39 1HB GLU 39 -6.063 6.286 -3.717 322 HB3 GLU 39 2HB GLU 39 -5.680 4.576 -3.864 323 HG2 GLU 39 1HG GLU 39 -8.155 4.222 -3.180 324 HG3 GLU 39 2HG GLU 39 -8.346 5.905 -3.664 325 H ALA 40 H ALA 40 -4.125 3.668 -1.537 326 HA ALA 40 HA ALA 40 -2.329 5.886 -0.787 327 HB1 ALA 40 3HB ALA 40 -2.245 3.055 0.245 328 HB2 ALA 40 1HB ALA 40 -2.871 4.448 1.126 329 HB3 ALA 40 2HB ALA 40 -1.161 4.367 0.703 330 H SER 41 H SER 41 -0.419 6.030 -1.781 331 HA SER 41 HA SER 41 0.040 4.197 -4.000 332 HB2 SER 41 1HB SER 41 1.403 6.818 -3.341 333 HB3 SER 41 2HB SER 41 1.552 5.909 -4.847 334 HG SER 41 HG SER 41 -0.676 6.265 -5.209 335 H PHE 42 H PHE 42 1.569 2.714 -3.984 336 HA PHE 42 HA PHE 42 3.601 2.778 -1.867 337 HB2 PHE 42 1HB PHE 42 2.728 0.517 -3.687 338 HB3 PHE 42 2HB PHE 42 3.965 0.392 -2.440 339 HD1 PHE 42 HD2 PHE 42 3.334 0.574 -0.058 340 HD2 PHE 42 HD1 PHE 42 0.419 0.415 -3.153 341 HE1 PHE 42 HE2 PHE 42 1.613 -0.005 1.599 342 HE2 PHE 42 HE1 PHE 42 -1.310 -0.164 -1.500 343 HZ PHE 42 HZ PHE 42 -0.713 -0.376 0.879 344 H LYS 43 H LYS 43 5.677 3.063 -2.332 345 HA LYS 43 HA LYS 43 6.285 3.850 -5.075 346 HB2 LYS 43 1HB LYS 43 6.725 5.163 -2.804 347 HB3 LYS 43 2HB LYS 43 8.205 4.215 -2.826 348 HG2 LYS 43 1HG LYS 43 8.717 5.112 -5.057 349 HG3 LYS 43 2HG LYS 43 7.263 6.109 -4.965 350 HD2 LYS 43 1HD LYS 43 8.264 6.989 -2.763 351 HD3 LYS 43 2HD LYS 43 9.778 6.289 -3.340 352 HE2 LYS 43 1HE LYS 43 9.779 8.560 -4.009 353 HE3 LYS 43 2HE LYS 43 9.456 7.605 -5.455 354 HZ1 LYS 43 3HZ LYS 43 7.961 9.439 -5.432 355 HZ2 LYS 43 1HZ LYS 43 7.487 9.126 -3.833 356 HZ3 LYS 43 2HZ LYS 43 7.046 8.056 -5.067 357 HA PRO 44 HA PRO 44 8.650 0.063 -5.531 358 HB2 PRO 44 1HB PRO 44 9.315 1.105 -8.172 359 HB3 PRO 44 2HB PRO 44 8.355 -0.314 -7.748 360 HG2 PRO 44 1HG PRO 44 7.273 1.915 -8.851 361 HG3 PRO 44 2HG PRO 44 6.383 0.860 -7.738 362 HD2 PRO 44 1HD PRO 44 7.735 3.477 -7.198 363 HD3 PRO 44 2HD PRO 44 6.170 2.873 -6.609 364 H LEU 45 H LEU 45 10.542 0.044 -4.517 365 HA LEU 45 HA LEU 45 12.391 2.118 -4.378 366 HB2 LEU 45 1HB LEU 45 12.726 -0.844 -3.950 367 HB3 LEU 45 2HB LEU 45 13.983 0.324 -3.595 368 HG LEU 45 HG LEU 45 11.254 0.312 -2.304 369 HD11 LEU 45 1HD1 LEU 45 12.417 -0.524 -0.320 370 HD12 LEU 45 2HD1 LEU 45 13.911 -0.648 -1.249 371 HD13 LEU 45 3HD1 LEU 45 12.529 -1.662 -1.663 372 HD21 LEU 45 3HD2 LEU 45 12.276 1.896 -0.743 373 HD22 LEU 45 1HD2 LEU 45 12.285 2.518 -2.394 374 HD23 LEU 45 2HD2 LEU 45 13.765 1.867 -1.690 375 H ASN 46 H ASN 46 12.093 -0.480 -6.706 376 HA ASN 46 HA ASN 46 14.712 0.100 -7.822 377 HB2 ASN 46 1HB ASN 46 12.684 -1.949 -8.732 378 HB3 ASN 46 2HB ASN 46 14.370 -1.853 -9.230 379 HD21 ASN 46 2HD2 ASN 46 16.000 -2.362 -7.704 380 HD22 ASN 46 1HD2 ASN 46 15.645 -3.370 -6.336 381 H GLY 47 H GLY 47 12.345 1.908 -7.980 382 HA2 GLY 47 1HA GLY 47 11.748 3.522 -9.537 383 HA3 GLY 47 2HA GLY 47 12.675 2.647 -10.749 384 H GLY 48 H GLY 48 9.932 3.831 -10.765 385 HA2 GLY 48 1HA GLY 48 8.589 2.402 -12.533 386 HA3 GLY 48 2HA GLY 48 8.242 1.477 -11.077 387 H LEU 49 H LEU 49 6.052 2.311 -12.111 388 HA LEU 49 HA LEU 49 5.333 4.958 -11.195 389 HB2 LEU 49 1HB LEU 49 3.673 2.725 -12.368 390 HB3 LEU 49 2HB LEU 49 3.045 4.308 -11.953 391 HG LEU 49 HG LEU 49 5.182 3.777 -14.016 392 HD11 LEU 49 1HD1 LEU 49 3.455 4.367 -15.642 393 HD12 LEU 49 2HD1 LEU 49 2.271 4.487 -14.339 394 HD13 LEU 49 3HD1 LEU 49 3.010 2.932 -14.718 395 HD21 LEU 49 3HD2 LEU 49 4.853 6.124 -14.622 396 HD22 LEU 49 1HD2 LEU 49 5.414 5.962 -12.957 397 HD23 LEU 49 2HD2 LEU 49 3.716 6.310 -13.287 398 H GLU 50 H GLU 50 4.130 5.448 -9.412 399 HA GLU 50 HA GLU 50 4.313 3.667 -7.222 400 HB2 GLU 50 1HB GLU 50 2.657 6.189 -7.426 401 HB3 GLU 50 2HB GLU 50 3.151 5.380 -5.944 402 HG2 GLU 50 1HG GLU 50 5.530 5.790 -6.645 403 HG3 GLU 50 2HG GLU 50 4.890 6.819 -7.925 404 H LYS 51 H LYS 51 2.981 2.156 -6.534 405 HA LYS 51 HA LYS 51 0.582 1.604 -8.058 406 HB2 LYS 51 1HB LYS 51 1.750 0.108 -5.701 407 HB3 LYS 51 2HB LYS 51 0.487 -0.471 -6.776 408 HG2 LYS 51 1HG LYS 51 2.092 -0.442 -8.641 409 HG3 LYS 51 2HG LYS 51 3.355 0.070 -7.519 410 HD2 LYS 51 1HD LYS 51 2.965 -1.984 -6.201 411 HD3 LYS 51 2HD LYS 51 1.782 -2.502 -7.401 412 HE2 LYS 51 1HE LYS 51 4.719 -2.015 -7.885 413 HE3 LYS 51 2HE LYS 51 3.931 -3.587 -7.766 414 HZ1 LYS 51 3HZ LYS 51 4.199 -3.114 -10.046 415 HZ2 LYS 51 1HZ LYS 51 3.584 -1.542 -9.885 416 HZ3 LYS 51 2HZ LYS 51 2.551 -2.877 -9.717 417 H THR 52 H THR 52 -1.128 2.837 -7.543 418 HA THR 52 HA THR 52 -1.610 3.517 -4.740 419 HB THR 52 HB THR 52 -3.115 4.502 -7.170 420 HG1 THR 52 HG1 THR 52 -0.938 5.090 -7.392 421 HG21 THR 52 3HG2 THR 52 -2.807 5.620 -4.378 422 HG22 THR 52 1HG2 THR 52 -4.254 4.855 -5.036 423 HG23 THR 52 2HG2 THR 52 -3.688 6.387 -5.700 424 H PHE 53 H PHE 53 -2.721 2.002 -3.668 425 HA PHE 53 HA PHE 53 -4.945 0.657 -5.055 426 HB2 PHE 53 1HB PHE 53 -3.329 -0.263 -2.670 427 HB3 PHE 53 2HB PHE 53 -4.719 -1.120 -3.330 428 HD1 PHE 53 HD2 PHE 53 -4.549 -1.619 -5.924 429 HD2 PHE 53 HD1 PHE 53 -1.236 -0.915 -3.347 430 HE1 PHE 53 HE2 PHE 53 -3.077 -2.803 -7.500 431 HE2 PHE 53 HE1 PHE 53 0.242 -2.096 -4.920 432 HZ PHE 53 HZ PHE 53 -0.677 -3.043 -6.998 433 H ARG 54 H ARG 54 -6.880 0.245 -3.823 434 HA ARG 54 HA ARG 54 -7.575 2.625 -2.328 435 HB2 ARG 54 1HB ARG 54 -8.926 1.555 -4.234 436 HB3 ARG 54 2HB ARG 54 -9.432 0.371 -3.037 437 HG2 ARG 54 1HG ARG 54 -10.482 2.055 -1.711 438 HG3 ARG 54 2HG ARG 54 -9.815 3.338 -2.724 439 HD2 ARG 54 1HD ARG 54 -11.858 1.264 -3.499 440 HD3 ARG 54 2HD ARG 54 -12.102 3.005 -3.347 441 HE ARG 54 HE ARG 54 -10.205 2.931 -5.220 442 HH11 ARG 54 1HH1 ARG 54 -13.139 1.030 -4.885 443 HH12 ARG 54 2HH1 ARG 54 -13.337 0.797 -6.604 444 HH21 ARG 54 1HH2 ARG 54 -10.449 2.587 -7.476 445 HH22 ARG 54 2HH2 ARG 54 -11.812 1.683 -8.063 446 H LEU 55 H LEU 55 -8.445 2.669 -0.272 447 HA LEU 55 HA LEU 55 -8.048 0.231 1.339 448 HB2 LEU 55 1HB LEU 55 -7.255 3.049 2.073 449 HB3 LEU 55 2HB LEU 55 -7.099 1.643 3.108 450 HG LEU 55 HG LEU 55 -5.639 1.993 0.490 451 HD11 LEU 55 1HD1 LEU 55 -3.688 2.489 1.846 452 HD12 LEU 55 2HD1 LEU 55 -4.661 2.386 3.313 453 HD13 LEU 55 3HD1 LEU 55 -4.966 3.669 2.143 454 HD21 LEU 55 3HD2 LEU 55 -4.280 0.131 1.295 455 HD22 LEU 55 1HD2 LEU 55 -5.974 -0.338 1.155 456 HD23 LEU 55 2HD2 LEU 55 -5.283 0.012 2.740 457 H GLN 56 H GLN 56 -9.354 0.010 3.145 458 HA GLN 56 HA GLN 56 -11.666 1.767 3.405 459 HB2 GLN 56 1HB GLN 56 -10.843 -0.696 4.971 460 HB3 GLN 56 2HB GLN 56 -12.360 0.168 5.171 461 HG2 GLN 56 1HG GLN 56 -13.081 -0.458 2.983 462 HG3 GLN 56 2HG GLN 56 -11.502 -1.146 2.606 463 HE21 GLN 56 2HE2 GLN 56 -14.178 -2.370 2.631 464 HE22 GLN 56 1HE2 GLN 56 -14.060 -3.725 3.695 465 H ALA 57 H ALA 57 -12.152 2.622 5.663 466 HA ALA 57 HA ALA 57 -10.064 4.187 6.644 467 HB1 ALA 57 3HB ALA 57 -11.503 4.670 8.548 468 HB2 ALA 57 1HB ALA 57 -12.530 3.297 8.134 469 HB3 ALA 57 2HB ALA 57 -12.427 4.681 7.046 470 H GLN 58 H GLN 58 -11.229 1.039 7.748 471 HA GLN 58 HA GLN 58 -9.580 0.775 10.011 472 HB2 GLN 58 1HB GLN 58 -11.516 -0.667 9.556 473 HB3 GLN 58 2HB GLN 58 -10.680 -1.365 8.179 474 HG2 GLN 58 1HG GLN 58 -8.995 -2.305 9.665 475 HG3 GLN 58 2HG GLN 58 -9.810 -1.582 11.052 476 HE21 GLN 58 2HE2 GLN 58 -11.744 -2.455 11.773 477 HE22 GLN 58 1HE2 GLN 58 -12.312 -4.006 11.267 478 H GLN 59 H GLN 59 -9.072 -0.189 6.634 479 HA GLN 59 HA GLN 59 -6.493 -1.320 7.017 480 HB2 GLN 59 1HB GLN 59 -7.642 -0.097 4.496 481 HB3 GLN 59 2HB GLN 59 -6.300 -1.227 4.589 482 HG2 GLN 59 1HG GLN 59 -9.127 -1.851 5.409 483 HG3 GLN 59 2HG GLN 59 -8.417 -2.254 3.847 484 HE21 GLN 59 2HE2 GLN 59 -9.515 -3.976 5.946 485 HE22 GLN 59 1HE2 GLN 59 -8.248 -5.073 6.366 486 H TYR 60 H TYR 60 -7.694 1.841 6.175 487 HA TYR 60 HA TYR 60 -5.398 3.221 5.490 488 HB2 TYR 60 1HB TYR 60 -7.593 4.128 5.172 489 HB3 TYR 60 2HB TYR 60 -7.947 4.042 6.886 490 HD1 TYR 60 HD2 TYR 60 -5.978 5.855 4.330 491 HD2 TYR 60 HD1 TYR 60 -7.453 5.839 8.320 492 HE1 TYR 60 HE2 TYR 60 -5.381 8.229 4.557 493 HE2 TYR 60 HE1 TYR 60 -6.869 8.215 8.556 494 HH TYR 60 HH TYR 60 -5.369 9.863 7.561 495 H HIS 61 H HIS 61 -6.625 2.379 8.683 496 HA HIS 61 HA HIS 61 -4.895 4.002 10.209 497 HB2 HIS 61 1HB HIS 61 -6.846 2.957 11.216 498 HB3 HIS 61 2HB HIS 61 -6.200 1.354 10.886 499 HD1 HIS 61 HD1 HIS 61 -5.962 4.201 13.275 500 HD2 HIS 61 HD2 HIS 61 -4.150 0.511 12.640 501 HE1 HIS 61 HE1 HIS 61 -4.649 3.715 15.370 502 HE2 HIS 61 HE2 HIS 61 -3.421 1.558 14.891 503 H ALA 62 H ALA 62 -4.379 0.973 8.563 504 HA ALA 62 HA ALA 62 -1.988 0.365 10.107 505 HB1 ALA 62 3HB ALA 62 -1.922 -1.704 8.818 506 HB2 ALA 62 1HB ALA 62 -3.255 -1.131 7.816 507 HB3 ALA 62 2HB ALA 62 -3.515 -1.452 9.530 508 H LEU 63 H LEU 63 -2.712 2.261 7.482 509 HA LEU 63 HA LEU 63 -0.220 1.699 6.077 510 HB2 LEU 63 1HB LEU 63 -2.717 3.152 5.404 511 HB3 LEU 63 2HB LEU 63 -1.237 3.715 4.653 512 HG LEU 63 HG LEU 63 -2.413 2.164 3.195 513 HD11 LEU 63 1HD1 LEU 63 0.007 2.238 3.086 514 HD12 LEU 63 2HD1 LEU 63 -0.585 0.609 2.764 515 HD13 LEU 63 3HD1 LEU 63 0.115 0.999 4.334 516 HD21 LEU 63 3HD2 LEU 63 -3.586 0.837 4.855 517 HD22 LEU 63 1HD2 LEU 63 -2.059 0.162 5.421 518 HD23 LEU 63 2HD2 LEU 63 -2.636 -0.203 3.795 519 H THR 64 H THR 64 1.301 2.454 7.499 520 HA THR 64 HA THR 64 1.201 5.225 8.356 521 HB THR 64 HB THR 64 3.408 3.201 8.790 522 HG1 THR 64 HG1 THR 64 0.940 3.203 9.764 523 HG21 THR 64 3HG2 THR 64 2.717 5.770 10.227 524 HG22 THR 64 1HG2 THR 64 4.094 5.521 9.154 525 HG23 THR 64 2HG2 THR 64 4.001 4.652 10.686 526 H VAL 65 H VAL 65 1.779 6.729 6.945 527 HA VAL 65 HA VAL 65 3.264 6.282 4.608 528 HB VAL 65 HB VAL 65 2.527 8.812 6.067 529 HG11 VAL 65 1HG1 VAL 65 3.922 8.573 3.400 530 HG12 VAL 65 2HG1 VAL 65 4.614 9.248 4.877 531 HG13 VAL 65 3HG1 VAL 65 3.259 10.057 4.086 532 HG21 VAL 65 3HG2 VAL 65 1.600 7.575 3.480 533 HG22 VAL 65 1HG2 VAL 65 0.995 9.077 4.183 534 HG23 VAL 65 2HG2 VAL 65 0.727 7.544 5.014 535 H GLY 66 H GLY 66 5.343 6.150 4.222 536 HA2 GLY 66 1HA GLY 66 7.619 6.747 4.467 537 HA3 GLY 66 2HA GLY 66 7.264 7.342 6.085 538 H ASP 67 H ASP 67 5.678 4.788 6.556 539 HA ASP 67 HA ASP 67 7.922 3.359 7.676 540 HB2 ASP 67 1HB ASP 67 5.804 3.597 8.944 541 HB3 ASP 67 2HB ASP 67 4.984 2.623 7.727 542 H GLN 68 H GLN 68 9.072 2.571 5.981 543 HA GLN 68 HA GLN 68 8.064 1.118 3.805 544 HB2 GLN 68 1HB GLN 68 10.745 0.730 5.150 545 HB3 GLN 68 2HB GLN 68 10.329 0.300 3.498 546 HG2 GLN 68 1HG GLN 68 10.025 2.658 2.956 547 HG3 GLN 68 2HG GLN 68 10.430 3.092 4.617 548 HE21 GLN 68 2HE2 GLN 68 11.758 3.909 2.196 549 HE22 GLN 68 1HE2 GLN 68 13.394 3.352 2.308 550 H GLY 69 H GLY 69 7.514 -0.998 3.530 551 HA2 GLY 69 1HA GLY 69 8.051 -2.966 5.569 552 HA3 GLY 69 2HA GLY 69 6.381 -2.418 5.543 553 H THR 70 H THR 70 6.510 -4.932 5.146 554 HA THR 70 HA THR 70 7.258 -5.727 2.493 555 HB THR 70 HB THR 70 5.738 -7.336 4.552 556 HG1 THR 70 HG1 THR 70 7.522 -7.090 5.686 557 HG21 THR 70 3HG2 THR 70 5.814 -8.305 2.296 558 HG22 THR 70 1HG2 THR 70 6.778 -9.250 3.432 559 HG23 THR 70 2HG2 THR 70 7.571 -8.161 2.294 560 H LEU 71 H LEU 71 5.980 -6.080 0.775 561 HA LEU 71 HA LEU 71 3.088 -5.635 1.103 562 HB2 LEU 71 1HB LEU 71 4.278 -3.871 -0.173 563 HB3 LEU 71 2HB LEU 71 4.820 -5.088 -1.314 564 HG LEU 71 HG LEU 71 2.431 -5.540 -1.884 565 HD11 LEU 71 1HD1 LEU 71 1.943 -3.103 -0.178 566 HD12 LEU 71 2HD1 LEU 71 1.405 -4.747 0.168 567 HD13 LEU 71 3HD1 LEU 71 0.756 -3.882 -1.225 568 HD21 LEU 71 3HD2 LEU 71 2.141 -3.533 -3.232 569 HD22 LEU 71 1HD2 LEU 71 3.818 -4.075 -3.262 570 HD23 LEU 71 2HD2 LEU 71 3.355 -2.695 -2.266 571 H SER 72 H SER 72 1.835 -7.299 0.625 572 HA SER 72 HA SER 72 2.992 -9.609 -0.780 573 HB2 SER 72 1HB SER 72 0.485 -9.398 0.908 574 HB3 SER 72 2HB SER 72 1.172 -10.880 0.242 575 HG SER 72 HG SER 72 2.826 -9.268 1.806 576 H TYR 73 H TYR 73 2.581 -9.622 -2.900 577 HA TYR 73 HA TYR 73 -0.151 -9.018 -3.776 578 HB2 TYR 73 1HB TYR 73 0.679 -7.769 -5.715 579 HB3 TYR 73 2HB TYR 73 1.186 -7.006 -4.213 580 HD1 TYR 73 HD2 TYR 73 3.552 -7.072 -3.527 581 HD2 TYR 73 HD1 TYR 73 2.285 -8.714 -7.243 582 HE1 TYR 73 HE2 TYR 73 5.883 -7.089 -4.310 583 HE2 TYR 73 HE1 TYR 73 4.611 -8.733 -8.034 584 HH TYR 73 HH TYR 73 7.252 -8.326 -5.996 585 H LYS 74 H LYS 74 -0.719 -9.957 -5.821 586 HA LYS 74 HA LYS 74 1.080 -12.085 -6.754 587 HB2 LYS 74 1HB LYS 74 -1.895 -12.328 -6.257 588 HB3 LYS 74 2HB LYS 74 -0.951 -13.504 -7.161 589 HG2 LYS 74 1HG LYS 74 0.435 -13.880 -5.152 590 HG3 LYS 74 2HG LYS 74 -0.615 -12.776 -4.261 591 HD2 LYS 74 1HD LYS 74 -2.522 -14.233 -4.672 592 HD3 LYS 74 2HD LYS 74 -1.505 -15.320 -5.622 593 HE2 LYS 74 1HE LYS 74 -0.119 -15.718 -3.623 594 HE3 LYS 74 2HE LYS 74 -1.199 -14.686 -2.689 595 HZ1 LYS 74 3HZ LYS 74 -1.719 -17.015 -2.385 596 HZ2 LYS 74 1HZ LYS 74 -1.966 -17.214 -4.050 597 HZ3 LYS 74 2HZ LYS 74 -3.008 -16.220 -3.147 598 H GLY 75 H GLY 75 1.524 -11.810 -8.836 599 HA2 GLY 75 1HA GLY 75 1.287 -11.200 -11.045 600 HA3 GLY 75 2HA GLY 75 -0.450 -11.123 -10.771 601 H THR 76 H THR 76 -1.335 -9.192 -10.964 602 HA THR 76 HA THR 76 0.364 -6.825 -10.525 603 HB THR 76 HB THR 76 -2.152 -6.719 -12.155 604 HG1 THR 76 HG1 THR 76 0.167 -7.097 -13.613 605 HG21 THR 76 3HG2 THR 76 -1.001 -4.630 -11.589 606 HG22 THR 76 1HG2 THR 76 -0.930 -4.941 -13.322 607 HG23 THR 76 2HG2 THR 76 0.484 -5.247 -12.314 608 H ARG 77 H ARG 77 -1.812 -8.589 -8.937 609 HA ARG 77 HA ARG 77 -3.534 -6.334 -8.172 610 HB2 ARG 77 1HB ARG 77 -4.731 -8.265 -9.080 611 HB3 ARG 77 2HB ARG 77 -4.021 -9.298 -7.846 612 HG2 ARG 77 1HG ARG 77 -5.230 -8.207 -6.117 613 HG3 ARG 77 2HG ARG 77 -5.755 -6.925 -7.209 614 HD2 ARG 77 1HD ARG 77 -7.071 -8.538 -8.481 615 HD3 ARG 77 2HD ARG 77 -6.523 -9.834 -7.419 616 HE ARG 77 HE ARG 77 -7.978 -9.106 -5.782 617 HH11 ARG 77 1HH1 ARG 77 -7.895 -6.803 -8.426 618 HH12 ARG 77 2HH1 ARG 77 -9.263 -5.905 -7.850 619 HH21 ARG 77 1HH2 ARG 77 -9.809 -7.942 -5.055 620 HH22 ARG 77 2HH2 ARG 77 -10.371 -6.567 -5.955 621 H PHE 78 H PHE 78 -3.785 -5.715 -6.131 622 HA PHE 78 HA PHE 78 -1.756 -6.331 -4.216 623 HB2 PHE 78 1HB PHE 78 -2.573 -4.077 -4.369 624 HB3 PHE 78 2HB PHE 78 -4.236 -4.604 -4.161 625 HD1 PHE 78 HD2 PHE 78 -0.996 -4.203 -2.431 626 HD2 PHE 78 HD1 PHE 78 -5.186 -4.812 -2.027 627 HE1 PHE 78 HE2 PHE 78 -0.824 -3.760 -0.017 628 HE2 PHE 78 HE1 PHE 78 -5.024 -4.369 0.386 629 HZ PHE 78 HZ PHE 78 -2.840 -3.843 1.394 630 H VAL 79 H VAL 79 -1.845 -7.710 -2.528 631 HA VAL 79 HA VAL 79 -4.398 -9.081 -2.021 632 HB VAL 79 HB VAL 79 -1.599 -9.999 -1.324 633 HG11 VAL 79 1HG1 VAL 79 -4.252 -11.414 -1.075 634 HG12 VAL 79 2HG1 VAL 79 -3.249 -10.833 0.255 635 HG13 VAL 79 3HG1 VAL 79 -2.672 -12.139 -0.781 636 HG21 VAL 79 3HG2 VAL 79 -2.005 -10.033 -3.733 637 HG22 VAL 79 1HG2 VAL 79 -3.480 -10.964 -3.477 638 HG23 VAL 79 2HG2 VAL 79 -1.913 -11.668 -3.080 639 H GLY 80 H GLY 80 -1.488 -7.947 -0.270 640 HA2 GLY 80 1HA GLY 80 -3.080 -6.619 1.702 641 HA3 GLY 80 2HA GLY 80 -2.424 -8.133 2.309 642 H PHE 81 H PHE 81 -1.860 -5.467 3.240 643 HA PHE 81 HA PHE 81 0.991 -5.239 2.558 644 HB2 PHE 81 1HB PHE 81 -0.266 -3.164 2.225 645 HB3 PHE 81 2HB PHE 81 -0.858 -3.235 3.881 646 HD1 PHE 81 HD1 PHE 81 2.307 -3.058 1.928 647 HD2 PHE 81 HD2 PHE 81 0.287 -2.123 5.557 648 HE1 PHE 81 HE1 PHE 81 4.261 -1.765 2.679 649 HE2 PHE 81 HE2 PHE 81 2.237 -0.827 6.313 650 HZ PHE 81 HZ PHE 81 4.227 -0.649 4.874 651 H VAL 82 H VAL 82 2.524 -5.536 4.112 652 HA VAL 82 HA VAL 82 1.542 -6.197 6.813 653 HB VAL 82 HB VAL 82 3.775 -7.624 5.351 654 HG11 VAL 82 1HG1 VAL 82 2.497 -8.172 8.028 655 HG12 VAL 82 2HG1 VAL 82 4.120 -7.535 7.758 656 HG13 VAL 82 3HG1 VAL 82 3.721 -9.174 7.247 657 HG21 VAL 82 3HG2 VAL 82 2.271 -9.561 5.301 658 HG22 VAL 82 1HG2 VAL 82 1.618 -8.203 4.386 659 HG23 VAL 82 2HG2 VAL 82 0.982 -8.572 5.989 660 H SER 83 H SER 83 2.182 -4.393 7.889 661 HA SER 83 HA SER 83 4.687 -3.114 7.551 662 HB2 SER 83 1HB SER 83 2.788 -1.953 8.585 663 HB3 SER 83 2HB SER 83 2.790 -3.102 9.920 664 HG SER 83 HG SER 83 4.532 -0.980 9.368 665 H ARG 84 H ARG 84 6.469 -3.120 9.074 666 HA ARG 84 HA ARG 84 7.342 -5.747 9.659 667 HB2 ARG 84 1HB ARG 84 8.465 -3.137 10.695 668 HB3 ARG 84 2HB ARG 84 9.304 -4.683 10.632 669 HG2 ARG 84 1HG ARG 84 9.233 -4.659 8.212 670 HG3 ARG 84 2HG ARG 84 8.308 -3.158 8.234 671 HD2 ARG 84 1HD ARG 84 10.260 -2.147 9.495 672 HD3 ARG 84 2HD ARG 84 11.161 -3.601 9.065 673 HE ARG 84 HE ARG 84 9.983 -1.763 7.073 674 HH11 ARG 84 1HH1 ARG 84 12.557 -3.879 8.159 675 HH12 ARG 84 2HH1 ARG 84 13.561 -3.568 6.778 676 HH21 ARG 84 1HH2 ARG 84 11.303 -1.370 5.252 677 HH22 ARG 84 2HH2 ARG 84 12.847 -2.148 5.123 678 H THR 85 H THR 85 5.766 -3.282 11.538 679 HA THR 85 HA THR 85 5.095 -5.258 13.544 680 HB THR 85 HB THR 85 6.497 -2.681 14.294 681 HG1 THR 85 HG1 THR 85 7.156 -5.448 14.552 682 HG21 THR 85 3HG2 THR 85 6.166 -3.371 16.621 683 HG22 THR 85 1HG2 THR 85 5.225 -4.764 16.081 684 HG23 THR 85 2HG2 THR 85 4.620 -3.129 15.808 685 HA PRO 86 HA PRO 86 1.412 -2.782 12.786 686 HB2 PRO 86 1HB PRO 86 -0.077 -4.802 14.207 687 HB3 PRO 86 2HB PRO 86 -0.044 -4.483 12.474 688 HG2 PRO 86 1HG PRO 86 0.977 -6.744 13.634 689 HG3 PRO 86 2HG PRO 86 1.529 -6.087 12.084 690 HD2 PRO 86 1HD PRO 86 2.762 -5.834 14.800 691 HD3 PRO 86 2HD PRO 86 3.540 -6.090 13.223 692 H ASP 87 H ASP 87 -0.736 -2.731 14.454 693 HA ASP 87 HA ASP 87 0.137 -1.127 16.651 694 HB2 ASP 87 1HB ASP 87 -2.594 -2.307 16.061 695 HB3 ASP 87 2HB ASP 87 -2.266 -1.108 17.303 696 H ASN 88 H ASN 88 -0.850 -4.427 16.216 697 HA ASN 88 HA ASN 88 -0.288 -4.991 19.045 698 HB2 ASN 88 1HB ASN 88 -2.450 -6.168 17.284 699 HB3 ASN 88 2HB ASN 88 -1.993 -6.833 18.847 700 HD21 ASN 88 2HD2 ASN 88 -1.565 -4.291 20.113 701 HD22 ASN 88 1HD2 ASN 88 -3.129 -3.587 20.358 702 H GLU 89 H GLU 89 -0.153 -7.592 19.164 703 HA GLU 89 HA GLU 89 2.001 -8.343 17.389 704 HB2 GLU 89 1HB GLU 89 0.621 -9.737 19.679 705 HB3 GLU 89 2HB GLU 89 1.821 -10.547 18.683 706 HG2 GLU 89 1HG GLU 89 2.885 -9.768 20.666 707 HG3 GLU 89 2HG GLU 89 3.455 -8.794 19.316 708 H LEU 90 H LEU 90 -1.392 -8.698 17.569 709 HA LEU 90 HA LEU 90 -1.416 -10.905 15.649 710 HB2 LEU 90 1HB LEU 90 -3.679 -9.569 17.137 711 HB3 LEU 90 2HB LEU 90 -3.850 -10.940 16.057 712 HG LEU 90 HG LEU 90 -2.305 -10.938 18.652 713 HD11 LEU 90 1HD1 LEU 90 -4.100 -12.396 19.452 714 HD12 LEU 90 2HD1 LEU 90 -4.960 -12.167 17.929 715 HD13 LEU 90 3HD1 LEU 90 -4.704 -10.799 19.012 716 HD21 LEU 90 3HD2 LEU 90 -1.357 -12.460 16.989 717 HD22 LEU 90 1HD2 LEU 90 -2.944 -13.188 16.748 718 HD23 LEU 90 2HD2 LEU 90 -2.129 -13.345 18.305 719 H GLU 91 H GLU 91 -2.314 -10.734 13.623 720 HA GLU 91 HA GLU 91 -2.191 -8.145 12.397 721 HB2 GLU 91 1HB GLU 91 -3.069 -10.814 11.281 722 HB3 GLU 91 2HB GLU 91 -2.766 -9.369 10.330 723 HG2 GLU 91 1HG GLU 91 -0.453 -9.447 10.767 724 HG3 GLU 91 2HG GLU 91 -0.664 -10.641 12.051 725 H HIS 92 H HIS 92 -4.591 -9.705 14.092 726 HA HIS 92 HA HIS 92 -6.839 -9.476 14.326 727 HB2 HIS 92 1HB HIS 92 -6.286 -6.985 12.716 728 HB3 HIS 92 2HB HIS 92 -7.911 -7.418 13.229 729 HD1 HIS 92 HD1 HIS 92 -8.597 -6.658 15.500 730 HD2 HIS 92 HD2 HIS 92 -4.465 -6.560 14.983 731 HE1 HIS 92 HE1 HIS 92 -7.681 -5.526 17.548 732 HE2 HIS 92 HE2 HIS 92 -5.191 -5.419 17.196 733 H HIS 93 H HIS 93 -5.606 -10.970 12.090 734 HA HIS 93 HA HIS 93 -7.407 -10.659 9.850 735 HB2 HIS 93 1HB HIS 93 -4.888 -11.555 9.960 736 HB3 HIS 93 2HB HIS 93 -5.716 -13.099 10.136 737 HD1 HIS 93 HD1 HIS 93 -5.770 -14.220 7.919 738 HD2 HIS 93 HD2 HIS 93 -6.356 -10.109 7.603 739 HE1 HIS 93 HE1 HIS 93 -6.138 -13.767 5.472 740 HE2 HIS 93 HE2 HIS 93 -6.350 -11.261 5.286 741 H HIS 94 H HIS 94 -7.428 -12.207 12.822 742 HA HIS 94 HA HIS 94 -9.976 -13.468 12.105 743 HB2 HIS 94 1HB HIS 94 -7.787 -14.659 13.813 744 HB3 HIS 94 2HB HIS 94 -9.461 -15.187 13.938 745 HD1 HIS 94 HD1 HIS 94 -10.396 -16.644 12.046 746 HD2 HIS 94 HD2 HIS 94 -6.450 -15.451 11.466 747 HE1 HIS 94 HE1 HIS 94 -9.545 -18.018 10.117 748 HE2 HIS 94 HE2 HIS 94 -7.106 -17.415 9.912 749 H HIS 95 H HIS 95 -11.324 -12.010 12.969 750 HA HIS 95 HA HIS 95 -10.607 -10.647 15.429 751 HB2 HIS 95 1HB HIS 95 -12.678 -9.312 15.021 752 HB3 HIS 95 2HB HIS 95 -11.508 -9.243 13.713 753 HD1 HIS 95 HD1 HIS 95 -12.182 -10.288 11.451 754 HD2 HIS 95 HD2 HIS 95 -15.128 -10.515 14.385 755 HE1 HIS 95 HE1 HIS 95 -14.301 -10.903 10.244 756 HE2 HIS 95 HE2 HIS 95 -16.104 -10.820 12.005 757 H HIS 96 H HIS 96 -11.982 -13.510 14.781 758 HA HIS 96 HA HIS 96 -12.880 -13.695 17.521 759 HB2 HIS 96 1HB HIS 96 -14.981 -13.148 16.359 760 HB3 HIS 96 2HB HIS 96 -14.716 -14.481 15.240 761 HD1 HIS 96 HD1 HIS 96 -15.329 -13.883 18.939 762 HD2 HIS 96 HD2 HIS 96 -15.712 -16.885 16.079 763 HE1 HIS 96 HE1 HIS 96 -16.509 -15.784 20.095 764 HE2 HIS 96 HE2 HIS 96 -16.575 -17.647 18.396 765 H HIS 97 H HIS 97 -12.482 -15.705 18.369 766 HA HIS 97 HA HIS 97 -11.397 -17.695 16.472 767 HB2 HIS 97 1HB HIS 97 -10.553 -17.499 19.362 768 HB3 HIS 97 2HB HIS 97 -9.747 -18.339 18.045 769 HD1 HIS 97 HD1 HIS 97 -8.851 -15.861 20.093 770 HD2 HIS 97 HD2 HIS 97 -9.367 -15.848 15.964 771 HE1 HIS 97 HE1 HIS 97 -7.524 -13.896 19.247 772 HE2 HIS 97 HE2 HIS 97 -8.025 -13.792 16.782 Start of MODEL 17 1 H1 MET 1 1H MET 1 9.208 -21.297 -5.679 2 H2 MET 1 2H MET 1 9.585 -21.585 -7.305 3 H3 MET 1 3H MET 1 8.088 -22.086 -6.678 4 HA MET 1 HA MET 1 8.999 -19.281 -6.934 5 HB2 MET 1 1HB MET 1 6.973 -20.870 -8.521 6 HB3 MET 1 2HB MET 1 7.160 -19.126 -8.620 7 HG2 MET 1 1HG MET 1 9.456 -19.425 -9.410 8 HG3 MET 1 2HG MET 1 9.248 -21.173 -9.328 9 HE1 MET 1 3HE MET 1 6.897 -18.439 -12.213 10 HE2 MET 1 1HE MET 1 8.133 -17.851 -11.102 11 HE3 MET 1 2HE MET 1 6.611 -18.480 -10.473 12 H ALA 2 H ALA 2 8.036 -17.977 -5.550 13 HA ALA 2 HA ALA 2 5.990 -18.939 -3.793 14 HB1 ALA 2 3HB ALA 2 7.708 -17.371 -3.029 15 HB2 ALA 2 1HB ALA 2 6.086 -16.717 -2.794 16 HB3 ALA 2 2HB ALA 2 7.082 -16.148 -4.135 17 HA PRO 3 HA PRO 3 2.559 -17.836 -6.453 18 HB2 PRO 3 1HB PRO 3 0.960 -18.214 -4.005 19 HB3 PRO 3 2HB PRO 3 0.863 -19.067 -5.548 20 HG2 PRO 3 1HG PRO 3 1.834 -20.247 -3.340 21 HG3 PRO 3 2HG PRO 3 2.479 -20.602 -4.953 22 HD2 PRO 3 1HD PRO 3 3.605 -18.847 -2.803 23 HD3 PRO 3 2HD PRO 3 4.442 -19.971 -3.894 24 H LEU 4 H LEU 4 3.209 -16.529 -3.289 25 HA LEU 4 HA LEU 4 1.652 -14.118 -3.879 26 HB2 LEU 4 1HB LEU 4 1.331 -15.352 -1.704 27 HB3 LEU 4 2HB LEU 4 2.978 -14.926 -1.293 28 HG LEU 4 HG LEU 4 2.408 -12.567 -1.269 29 HD11 LEU 4 1HD1 LEU 4 0.706 -12.583 -3.021 30 HD12 LEU 4 2HD1 LEU 4 0.098 -11.828 -1.547 31 HD13 LEU 4 3HD1 LEU 4 -0.385 -13.473 -1.959 32 HD21 LEU 4 3HD2 LEU 4 2.134 -13.815 0.787 33 HD22 LEU 4 1HD2 LEU 4 0.505 -14.295 0.310 34 HD23 LEU 4 2HD2 LEU 4 0.859 -12.604 0.654 35 H GLN 5 H GLN 5 2.748 -12.493 -4.756 36 HA GLN 5 HA GLN 5 5.632 -12.492 -4.750 37 HB2 GLN 5 1HB GLN 5 3.688 -10.470 -5.888 38 HB3 GLN 5 2HB GLN 5 5.412 -10.548 -6.225 39 HG2 GLN 5 1HG GLN 5 5.159 -12.640 -7.360 40 HG3 GLN 5 2HG GLN 5 3.467 -12.744 -6.881 41 HE21 GLN 5 2HE2 GLN 5 4.667 -12.779 -9.531 42 HE22 GLN 5 1HE2 GLN 5 3.945 -11.469 -10.402 43 H GLN 6 H GLN 6 6.697 -11.738 -3.061 44 HA GLN 6 HA GLN 6 5.568 -9.445 -1.611 45 HB2 GLN 6 1HB GLN 6 7.182 -11.779 -0.597 46 HB3 GLN 6 2HB GLN 6 6.950 -10.308 0.338 47 HG2 GLN 6 1HG GLN 6 4.535 -10.652 0.289 48 HG3 GLN 6 2HG GLN 6 4.763 -12.122 -0.658 49 HE21 GLN 6 2HE2 GLN 6 3.567 -11.675 2.003 50 HE22 GLN 6 1HE2 GLN 6 4.433 -12.724 3.075 51 H LYS 7 H LYS 7 6.784 -7.720 -1.254 52 HA LYS 7 HA LYS 7 9.662 -7.774 -1.487 53 HB2 LYS 7 1HB LYS 7 8.728 -7.464 -3.855 54 HB3 LYS 7 2HB LYS 7 8.124 -5.908 -3.301 55 HG2 LYS 7 1HG LYS 7 10.503 -5.365 -2.644 56 HG3 LYS 7 2HG LYS 7 10.977 -6.809 -3.539 57 HD2 LYS 7 1HD LYS 7 9.869 -5.871 -5.547 58 HD3 LYS 7 2HD LYS 7 9.536 -4.397 -4.634 59 HE2 LYS 7 1HE LYS 7 12.228 -5.538 -5.355 60 HE3 LYS 7 2HE LYS 7 11.509 -4.037 -5.939 61 HZ1 LYS 7 3HZ LYS 7 11.574 -3.219 -3.621 62 HZ2 LYS 7 1HZ LYS 7 13.114 -3.540 -4.255 63 HZ3 LYS 7 2HZ LYS 7 12.399 -4.622 -3.161 64 H GLN 8 H GLN 8 10.581 -5.678 -0.766 65 HA GLN 8 HA GLN 8 8.798 -4.415 1.148 66 HB2 GLN 8 1HB GLN 8 11.757 -3.968 0.710 67 HB3 GLN 8 2HB GLN 8 10.800 -3.364 2.058 68 HG2 GLN 8 1HG GLN 8 10.282 -5.769 2.607 69 HG3 GLN 8 2HG GLN 8 11.516 -6.212 1.432 70 HE21 GLN 8 2HE2 GLN 8 11.415 -6.718 4.266 71 HE22 GLN 8 1HE2 GLN 8 12.839 -6.007 4.951 72 H VAL 9 H VAL 9 7.984 -2.445 0.977 73 HA VAL 9 HA VAL 9 8.852 -0.718 -1.237 74 HB VAL 9 HB VAL 9 6.451 -0.182 -1.704 75 HG11 VAL 9 1HG1 VAL 9 6.002 -2.197 -3.034 76 HG12 VAL 9 2HG1 VAL 9 7.267 -3.052 -2.151 77 HG13 VAL 9 3HG1 VAL 9 7.681 -1.678 -3.176 78 HG21 VAL 9 3HG2 VAL 9 5.483 -0.951 0.388 79 HG22 VAL 9 1HG2 VAL 9 5.934 -2.613 0.004 80 HG23 VAL 9 2HG2 VAL 9 4.733 -1.776 -0.979 81 H VAL 10 H VAL 10 7.638 1.455 -1.047 82 HA VAL 10 HA VAL 10 7.551 2.236 1.795 83 HB VAL 10 HB VAL 10 8.317 3.953 -0.577 84 HG11 VAL 10 1HG1 VAL 10 8.304 4.583 2.372 85 HG12 VAL 10 2HG1 VAL 10 7.192 5.228 1.166 86 HG13 VAL 10 3HG1 VAL 10 8.905 5.640 1.096 87 HG21 VAL 10 3HG2 VAL 10 10.024 2.839 1.646 88 HG22 VAL 10 1HG2 VAL 10 10.563 3.955 0.391 89 HG23 VAL 10 2HG2 VAL 10 10.049 2.324 -0.042 90 H VAL 11 H VAL 11 5.605 2.873 2.487 91 HA VAL 11 HA VAL 11 3.498 3.617 0.678 92 HB VAL 11 HB VAL 11 3.599 4.055 3.671 93 HG11 VAL 11 1HG1 VAL 11 1.152 3.993 3.504 94 HG12 VAL 11 2HG1 VAL 11 1.282 3.826 1.752 95 HG13 VAL 11 3HG1 VAL 11 1.841 5.300 2.542 96 HG21 VAL 11 3HG2 VAL 11 2.613 1.650 2.139 97 HG22 VAL 11 1HG2 VAL 11 2.420 1.911 3.874 98 HG23 VAL 11 2HG2 VAL 11 4.031 1.713 3.184 99 H SER 12 H SER 12 4.227 5.352 -0.495 100 HA SER 12 HA SER 12 5.661 7.488 0.789 101 HB2 SER 12 1HB SER 12 5.519 8.359 -1.700 102 HB3 SER 12 2HB SER 12 6.580 7.015 -1.270 103 HG SER 12 HG SER 12 4.571 7.031 -3.018 104 H ASN 13 H ASN 13 2.622 7.289 -1.083 105 HA ASN 13 HA ASN 13 1.803 9.780 0.249 106 HB2 ASN 13 1HB ASN 13 1.492 9.152 -2.692 107 HB3 ASN 13 2HB ASN 13 0.720 10.505 -1.877 108 HD21 ASN 13 2HD2 ASN 13 3.618 9.265 -3.257 109 HD22 ASN 13 1HD2 ASN 13 4.569 10.707 -3.072 110 H LYS 14 H LYS 14 -0.286 9.929 0.855 111 HA LYS 14 HA LYS 14 -2.061 7.665 0.266 112 HB2 LYS 14 1HB LYS 14 -1.794 8.428 2.640 113 HB3 LYS 14 2HB LYS 14 -2.453 9.989 2.182 114 HG2 LYS 14 1HG LYS 14 -4.008 7.457 1.771 115 HG3 LYS 14 2HG LYS 14 -4.001 8.295 3.321 116 HD2 LYS 14 1HD LYS 14 -4.848 9.488 0.678 117 HD3 LYS 14 2HD LYS 14 -5.937 8.921 1.944 118 HE2 LYS 14 1HE LYS 14 -5.121 10.603 3.465 119 HE3 LYS 14 2HE LYS 14 -3.890 11.107 2.308 120 HZ1 LYS 14 3HZ LYS 14 -5.790 12.608 2.313 121 HZ2 LYS 14 1HZ LYS 14 -6.830 11.334 1.903 122 HZ3 LYS 14 2HZ LYS 14 -5.635 11.841 0.811 123 H ARG 15 H ARG 15 -3.515 7.871 -1.297 124 HA ARG 15 HA ARG 15 -4.125 10.584 -2.270 125 HB2 ARG 15 1HB ARG 15 -3.566 8.046 -3.789 126 HB3 ARG 15 2HB ARG 15 -4.464 9.371 -4.519 127 HG2 ARG 15 1HG ARG 15 -2.602 10.843 -4.325 128 HG3 ARG 15 2HG ARG 15 -1.717 9.684 -3.333 129 HD2 ARG 15 1HD ARG 15 -1.373 8.231 -5.151 130 HD3 ARG 15 2HD ARG 15 -2.591 9.043 -6.136 131 HE ARG 15 HE ARG 15 -1.051 10.926 -6.320 132 HH11 ARG 15 1HH1 ARG 15 0.298 7.878 -5.209 133 HH12 ARG 15 2HH1 ARG 15 1.913 8.283 -5.724 134 HH21 ARG 15 1HH2 ARG 15 1.070 11.420 -6.990 135 HH22 ARG 15 2HH2 ARG 15 2.345 10.265 -6.733 136 H GLU 16 H GLU 16 -6.213 10.936 -3.082 137 HA GLU 16 HA GLU 16 -8.166 8.783 -2.725 138 HB2 GLU 16 1HB GLU 16 -8.358 11.559 -1.560 139 HB3 GLU 16 2HB GLU 16 -9.771 10.548 -1.818 140 HG2 GLU 16 1HG GLU 16 -8.891 8.879 -0.303 141 HG3 GLU 16 2HG GLU 16 -7.417 9.826 -0.088 142 H LYS 17 H LYS 17 -8.388 8.531 -4.909 143 HA LYS 17 HA LYS 17 -9.108 10.893 -6.488 144 HB2 LYS 17 1HB LYS 17 -8.582 8.076 -7.446 145 HB3 LYS 17 2HB LYS 17 -8.736 9.515 -8.444 146 HG2 LYS 17 1HG LYS 17 -6.705 10.428 -7.370 147 HG3 LYS 17 2HG LYS 17 -6.534 8.913 -6.481 148 HD2 LYS 17 1HD LYS 17 -6.438 9.292 -9.472 149 HD3 LYS 17 2HD LYS 17 -5.097 8.858 -8.413 150 HE2 LYS 17 1HE LYS 17 -7.560 7.190 -8.919 151 HE3 LYS 17 2HE LYS 17 -5.971 6.917 -9.629 152 HZ1 LYS 17 3HZ LYS 17 -6.363 5.465 -7.746 153 HZ2 LYS 17 1HZ LYS 17 -6.620 6.793 -6.724 154 HZ3 LYS 17 2HZ LYS 17 -5.094 6.526 -7.413 155 HA PRO 18 HA PRO 18 -13.408 9.665 -5.989 156 HB2 PRO 18 1HB PRO 18 -14.334 11.587 -7.738 157 HB3 PRO 18 2HB PRO 18 -14.049 11.855 -6.015 158 HG2 PRO 18 1HG PRO 18 -12.321 12.538 -8.354 159 HG3 PRO 18 2HG PRO 18 -12.625 13.464 -6.872 160 HD2 PRO 18 1HD PRO 18 -10.354 12.062 -7.242 161 HD3 PRO 18 2HD PRO 18 -11.106 12.231 -5.642 162 H VAL 19 H VAL 19 -13.814 7.809 -7.009 163 HA VAL 19 HA VAL 19 -13.601 7.708 -9.936 164 HB VAL 19 HB VAL 19 -13.853 5.419 -7.969 165 HG11 VAL 19 1HG1 VAL 19 -13.339 5.406 -10.942 166 HG12 VAL 19 2HG1 VAL 19 -14.818 4.880 -10.136 167 HG13 VAL 19 3HG1 VAL 19 -13.314 3.991 -9.889 168 HG21 VAL 19 3HG2 VAL 19 -11.696 6.525 -7.769 169 HG22 VAL 19 1HG2 VAL 19 -11.453 6.402 -9.511 170 HG23 VAL 19 2HG2 VAL 19 -11.511 4.942 -8.523 171 H ASN 20 H ASN 20 -15.434 8.116 -10.943 172 HA ASN 20 HA ASN 20 -17.970 7.892 -9.579 173 HB2 ASN 20 1HB ASN 20 -17.244 8.799 -12.370 174 HB3 ASN 20 2HB ASN 20 -18.886 8.798 -11.737 175 HD21 ASN 20 2HD2 ASN 20 -17.104 10.974 -12.640 176 HD22 ASN 20 1HD2 ASN 20 -17.030 12.091 -11.324 177 H ASP 21 H ASP 21 -17.323 5.467 -9.460 178 HA ASP 21 HA ASP 21 -18.520 4.068 -11.756 179 HB2 ASP 21 1HB ASP 21 -16.205 3.389 -10.877 180 HB3 ASP 21 2HB ASP 21 -17.045 2.773 -9.459 181 H ARG 22 H ARG 22 -20.664 4.380 -11.323 182 HA ARG 22 HA ARG 22 -21.628 4.130 -8.595 183 HB2 ARG 22 1HB ARG 22 -23.057 4.882 -11.149 184 HB3 ARG 22 2HB ARG 22 -23.801 4.865 -9.558 185 HG2 ARG 22 1HG ARG 22 -22.262 6.606 -8.811 186 HG3 ARG 22 2HG ARG 22 -21.499 6.616 -10.404 187 HD2 ARG 22 1HD ARG 22 -23.680 7.228 -11.400 188 HD3 ARG 22 2HD ARG 22 -24.370 7.307 -9.780 189 HE ARG 22 HE ARG 22 -22.364 9.029 -9.544 190 HH11 ARG 22 1HH1 ARG 22 -24.738 8.650 -12.083 191 HH12 ARG 22 2HH1 ARG 22 -24.690 10.321 -12.559 192 HH21 ARG 22 1HH2 ARG 22 -22.308 11.249 -10.169 193 HH22 ARG 22 2HH2 ARG 22 -23.318 11.789 -11.471 194 H ARG 23 H ARG 23 -21.877 2.089 -7.925 195 HA ARG 23 HA ARG 23 -22.772 -0.080 -9.484 196 HB2 ARG 23 1HB ARG 23 -21.658 -0.454 -7.362 197 HB3 ARG 23 2HB ARG 23 -22.927 0.402 -6.499 198 HG2 ARG 23 1HG ARG 23 -24.520 -1.338 -7.061 199 HG3 ARG 23 2HG ARG 23 -23.289 -2.183 -8.003 200 HD2 ARG 23 1HD ARG 23 -21.960 -2.528 -6.006 201 HD3 ARG 23 2HD ARG 23 -23.119 -1.606 -5.049 202 HE ARG 23 HE ARG 23 -24.721 -3.385 -5.400 203 HH11 ARG 23 1HH1 ARG 23 -21.426 -4.105 -6.360 204 HH12 ARG 23 2HH1 ARG 23 -21.593 -5.816 -6.110 205 HH21 ARG 23 1HH2 ARG 23 -24.951 -5.648 -5.084 206 HH22 ARG 23 2HH2 ARG 23 -23.598 -6.699 -5.401 207 H SER 24 H SER 24 -24.410 2.460 -7.768 208 HA SER 24 HA SER 24 -27.018 1.418 -7.769 209 HB2 SER 24 1HB SER 24 -26.300 4.341 -7.998 210 HB3 SER 24 2HB SER 24 -27.708 3.624 -7.211 211 HG SER 24 HG SER 24 -26.483 2.994 -5.539 212 H ARG 25 H ARG 25 -25.086 2.925 -10.245 213 HA ARG 25 HA ARG 25 -25.398 3.271 -12.466 214 HB2 ARG 25 1HB ARG 25 -27.621 1.287 -11.988 215 HB3 ARG 25 2HB ARG 25 -27.160 1.858 -13.586 216 HG2 ARG 25 1HG ARG 25 -25.035 0.850 -13.444 217 HG3 ARG 25 2HG ARG 25 -25.205 0.564 -11.712 218 HD2 ARG 25 1HD ARG 25 -26.886 -1.093 -12.081 219 HD3 ARG 25 2HD ARG 25 -26.974 -0.697 -13.797 220 HE ARG 25 HE ARG 25 -25.006 -1.865 -14.168 221 HH11 ARG 25 1HH1 ARG 25 -25.688 -1.722 -10.727 222 HH12 ARG 25 2HH1 ARG 25 -24.600 -3.013 -10.337 223 HH21 ARG 25 1HH2 ARG 25 -23.588 -3.555 -13.648 224 HH22 ARG 25 2HH2 ARG 25 -23.388 -4.047 -11.991 225 H GLN 26 H GLN 26 -26.703 4.997 -10.518 226 HA GLN 26 HA GLN 26 -29.187 5.820 -11.776 227 HB2 GLN 26 1HB GLN 26 -27.681 6.916 -9.394 228 HB3 GLN 26 2HB GLN 26 -29.240 7.507 -9.949 229 HG2 GLN 26 1HG GLN 26 -30.297 5.440 -9.405 230 HG3 GLN 26 2HG GLN 26 -28.744 4.676 -9.067 231 HE21 GLN 26 2HE2 GLN 26 -31.109 5.037 -7.361 232 HE22 GLN 26 1HE2 GLN 26 -30.549 5.895 -5.964 233 H GLN 27 H GLN 27 -29.528 7.869 -12.682 234 HA GLN 27 HA GLN 27 -27.178 9.192 -13.775 235 HB2 GLN 27 1HB GLN 27 -29.195 8.834 -15.164 236 HB3 GLN 27 2HB GLN 27 -30.127 9.830 -14.056 237 HG2 GLN 27 1HG GLN 27 -28.688 11.748 -14.619 238 HG3 GLN 27 2HG GLN 27 -27.832 10.734 -15.779 239 HE21 GLN 27 2HE2 GLN 27 -29.413 13.172 -16.166 240 HE22 GLN 27 1HE2 GLN 27 -30.637 12.762 -17.320 241 H GLU 28 H GLU 28 -29.243 9.372 -11.121 242 HA GLU 28 HA GLU 28 -29.194 12.113 -10.496 243 HB2 GLU 28 1HB GLU 28 -29.482 9.680 -8.723 244 HB3 GLU 28 2HB GLU 28 -29.781 11.333 -8.202 245 HG2 GLU 28 1HG GLU 28 -31.643 11.551 -9.633 246 HG3 GLU 28 2HG GLU 28 -31.236 10.074 -10.505 247 H VAL 29 H VAL 29 -28.102 13.002 -8.536 248 HA VAL 29 HA VAL 29 -25.249 12.431 -8.757 249 HB VAL 29 HB VAL 29 -26.478 14.687 -7.180 250 HG11 VAL 29 1HG1 VAL 29 -24.377 15.822 -7.716 251 HG12 VAL 29 2HG1 VAL 29 -23.841 14.402 -8.613 252 HG13 VAL 29 3HG1 VAL 29 -24.095 14.300 -6.871 253 HG21 VAL 29 3HG2 VAL 29 -26.337 16.093 -9.179 254 HG22 VAL 29 1HG2 VAL 29 -27.479 14.766 -9.400 255 HG23 VAL 29 2HG2 VAL 29 -25.878 14.685 -10.136 256 H SER 30 H SER 30 -27.418 10.949 -7.125 257 HA SER 30 HA SER 30 -26.838 11.334 -4.386 258 HB2 SER 30 1HB SER 30 -27.995 8.897 -5.760 259 HB3 SER 30 2HB SER 30 -28.101 9.273 -4.040 260 HG SER 30 HG SER 30 -29.997 9.873 -5.177 261 HA PRO 31 HA PRO 31 -23.029 8.933 -4.465 262 HB2 PRO 31 1HB PRO 31 -21.975 9.938 -2.228 263 HB3 PRO 31 2HB PRO 31 -22.058 10.904 -3.708 264 HG2 PRO 31 1HG PRO 31 -23.778 11.013 -1.272 265 HG3 PRO 31 2HG PRO 31 -23.193 12.337 -2.294 266 HD2 PRO 31 1HD PRO 31 -25.726 11.174 -2.428 267 HD3 PRO 31 2HD PRO 31 -24.978 12.173 -3.689 268 H ALA 32 H ALA 32 -25.736 8.236 -3.139 269 HA ALA 32 HA ALA 32 -25.201 7.057 -0.628 270 HB1 ALA 32 3HB ALA 32 -27.391 6.407 -2.596 271 HB2 ALA 32 1HB ALA 32 -27.459 7.655 -1.353 272 HB3 ALA 32 2HB ALA 32 -27.359 5.957 -0.892 273 H GLY 33 H GLY 33 -24.921 5.906 -3.919 274 HA2 GLY 33 1HA GLY 33 -24.243 3.215 -2.954 275 HA3 GLY 33 2HA GLY 33 -24.603 3.648 -4.621 276 H THR 34 H THR 34 -22.465 5.523 -2.603 277 HA THR 34 HA THR 34 -20.095 4.332 -3.802 278 HB THR 34 HB THR 34 -20.676 7.292 -4.088 279 HG1 THR 34 HG1 THR 34 -21.335 5.146 -5.647 280 HG21 THR 34 3HG2 THR 34 -18.675 7.298 -5.510 281 HG22 THR 34 1HG2 THR 34 -18.430 5.584 -5.174 282 HG23 THR 34 2HG2 THR 34 -18.291 6.767 -3.872 283 H SER 35 H SER 35 -18.414 4.355 -2.405 284 HA SER 35 HA SER 35 -18.646 6.064 -0.020 285 HB2 SER 35 1HB SER 35 -17.275 3.372 -0.261 286 HB3 SER 35 2HB SER 35 -17.421 4.338 1.209 287 HG SER 35 HG SER 35 -19.853 4.070 0.254 288 H MET 36 H MET 36 -16.559 6.718 0.940 289 HA MET 36 HA MET 36 -14.840 7.791 -1.078 290 HB2 MET 36 1HB MET 36 -14.567 7.773 1.935 291 HB3 MET 36 2HB MET 36 -13.532 8.682 0.841 292 HG2 MET 36 1HG MET 36 -15.530 9.915 0.054 293 HG3 MET 36 2HG MET 36 -16.487 9.064 1.265 294 HE1 MET 36 3HE MET 36 -12.793 10.398 1.570 295 HE2 MET 36 1HE MET 36 -13.068 12.001 2.251 296 HE3 MET 36 2HE MET 36 -13.609 11.634 0.614 297 H ARG 37 H ARG 37 -12.704 7.290 -1.519 298 HA ARG 37 HA ARG 37 -11.872 4.624 -0.599 299 HB2 ARG 37 1HB ARG 37 -11.360 5.911 -3.289 300 HB3 ARG 37 2HB ARG 37 -10.801 4.321 -2.792 301 HG2 ARG 37 1HG ARG 37 -13.099 3.542 -2.629 302 HG3 ARG 37 2HG ARG 37 -13.686 5.147 -3.073 303 HD2 ARG 37 1HD ARG 37 -12.528 4.954 -5.234 304 HD3 ARG 37 2HD ARG 37 -11.983 3.338 -4.788 305 HE ARG 37 HE ARG 37 -14.814 3.546 -4.618 306 HH11 ARG 37 1HH1 ARG 37 -12.196 3.222 -6.919 307 HH12 ARG 37 2HH1 ARG 37 -13.174 2.435 -8.121 308 HH21 ARG 37 1HH2 ARG 37 -16.116 2.500 -6.230 309 HH22 ARG 37 2HH2 ARG 37 -15.375 2.037 -7.731 310 H TYR 38 H TYR 38 -10.334 4.970 0.876 311 HA TYR 38 HA TYR 38 -8.357 7.068 0.518 312 HB2 TYR 38 1HB TYR 38 -8.815 5.019 2.694 313 HB3 TYR 38 2HB TYR 38 -7.427 6.100 2.680 314 HD1 TYR 38 HD2 TYR 38 -11.098 5.935 2.990 315 HD2 TYR 38 HD1 TYR 38 -7.640 8.394 3.285 316 HE1 TYR 38 HE2 TYR 38 -12.431 7.665 4.122 317 HE2 TYR 38 HE1 TYR 38 -8.960 10.127 4.419 318 HH TYR 38 HH TYR 38 -11.319 10.832 4.582 319 H GLU 39 H GLU 39 -6.787 6.665 -0.893 320 HA GLU 39 HA GLU 39 -6.008 3.872 -1.335 321 HB2 GLU 39 1HB GLU 39 -5.460 6.243 -3.122 322 HB3 GLU 39 2HB GLU 39 -5.336 4.538 -3.536 323 HG2 GLU 39 1HG GLU 39 -7.735 4.288 -3.379 324 HG3 GLU 39 2HG GLU 39 -7.901 5.961 -2.850 325 H ALA 40 H ALA 40 -3.877 3.262 -1.333 326 HA ALA 40 HA ALA 40 -1.970 5.242 -0.278 327 HB1 ALA 40 3HB ALA 40 -0.869 3.418 0.912 328 HB2 ALA 40 1HB ALA 40 -2.060 2.279 0.284 329 HB3 ALA 40 2HB ALA 40 -2.560 3.554 1.396 330 H SER 41 H SER 41 -0.198 5.562 -1.428 331 HA SER 41 HA SER 41 0.200 3.930 -3.813 332 HB2 SER 41 1HB SER 41 1.544 6.519 -3.008 333 HB3 SER 41 2HB SER 41 1.593 5.754 -4.598 334 HG SER 41 HG SER 41 -0.949 6.148 -3.680 335 H PHE 42 H PHE 42 1.673 2.398 -3.853 336 HA PHE 42 HA PHE 42 3.755 2.386 -1.787 337 HB2 PHE 42 1HB PHE 42 2.759 0.148 -3.568 338 HB3 PHE 42 2HB PHE 42 3.999 -0.013 -2.329 339 HD1 PHE 42 HD2 PHE 42 3.403 0.181 0.051 340 HD2 PHE 42 HD1 PHE 42 0.448 0.211 -3.010 341 HE1 PHE 42 HE2 PHE 42 1.666 -0.295 1.727 342 HE2 PHE 42 HE1 PHE 42 -1.294 -0.264 -1.339 343 HZ PHE 42 HZ PHE 42 -0.685 -0.519 1.034 344 H LYS 43 H LYS 43 5.696 3.006 -2.336 345 HA LYS 43 HA LYS 43 6.402 3.217 -5.160 346 HB2 LYS 43 1HB LYS 43 6.670 5.205 -3.743 347 HB3 LYS 43 2HB LYS 43 7.762 4.314 -2.691 348 HG2 LYS 43 1HG LYS 43 9.266 4.007 -4.672 349 HG3 LYS 43 2HG LYS 43 8.221 5.128 -5.548 350 HD2 LYS 43 1HD LYS 43 8.671 6.858 -3.892 351 HD3 LYS 43 2HD LYS 43 9.685 5.736 -2.980 352 HE2 LYS 43 1HE LYS 43 11.138 5.520 -4.990 353 HE3 LYS 43 2HE LYS 43 10.175 6.776 -5.766 354 HZ1 LYS 43 3HZ LYS 43 10.802 8.292 -3.976 355 HZ2 LYS 43 1HZ LYS 43 12.164 7.699 -4.797 356 HZ3 LYS 43 2HZ LYS 43 11.757 7.081 -3.269 357 HA PRO 44 HA PRO 44 9.061 -0.371 -4.801 358 HB2 PRO 44 1HB PRO 44 10.099 0.485 -7.406 359 HB3 PRO 44 2HB PRO 44 9.228 -0.990 -6.979 360 HG2 PRO 44 1HG PRO 44 8.109 0.949 -8.475 361 HG3 PRO 44 2HG PRO 44 7.165 -0.035 -7.341 362 HD2 PRO 44 1HD PRO 44 8.226 2.749 -7.006 363 HD3 PRO 44 2HD PRO 44 6.638 2.086 -6.559 364 H LEU 45 H LEU 45 10.932 -0.459 -3.770 365 HA LEU 45 HA LEU 45 12.543 1.776 -3.267 366 HB2 LEU 45 1HB LEU 45 13.045 -1.167 -2.876 367 HB3 LEU 45 2HB LEU 45 14.155 0.074 -2.326 368 HG LEU 45 HG LEU 45 11.291 -0.208 -1.410 369 HD11 LEU 45 1HD1 LEU 45 13.879 -0.908 -0.027 370 HD12 LEU 45 2HD1 LEU 45 12.674 -2.052 -0.620 371 HD13 LEU 45 3HD1 LEU 45 12.275 -0.958 0.705 372 HD21 LEU 45 3HD2 LEU 45 12.097 2.094 -1.361 373 HD22 LEU 45 1HD2 LEU 45 13.529 1.582 -0.467 374 HD23 LEU 45 2HD2 LEU 45 11.932 1.449 0.273 375 H ASN 46 H ASN 46 12.643 -0.481 -5.882 376 HA ASN 46 HA ASN 46 15.398 0.313 -6.507 377 HB2 ASN 46 1HB ASN 46 13.824 -2.055 -7.544 378 HB3 ASN 46 2HB ASN 46 15.505 -1.691 -7.924 379 HD21 ASN 46 2HD2 ASN 46 17.090 -1.985 -6.343 380 HD22 ASN 46 1HD2 ASN 46 16.797 -2.931 -4.919 381 H GLY 47 H GLY 47 12.882 1.778 -7.034 382 HA2 GLY 47 1HA GLY 47 12.595 3.402 -8.723 383 HA3 GLY 47 2HA GLY 47 13.476 2.364 -9.835 384 H GLY 48 H GLY 48 10.774 3.742 -9.870 385 HA2 GLY 48 1HA GLY 48 9.333 2.356 -11.594 386 HA3 GLY 48 2HA GLY 48 8.958 1.477 -10.117 387 H LEU 49 H LEU 49 6.851 2.530 -11.316 388 HA LEU 49 HA LEU 49 6.331 5.171 -10.208 389 HB2 LEU 49 1HB LEU 49 4.556 3.329 -11.814 390 HB3 LEU 49 2HB LEU 49 4.158 4.974 -11.350 391 HG LEU 49 HG LEU 49 6.361 4.122 -13.229 392 HD11 LEU 49 1HD1 LEU 49 4.128 4.004 -14.193 393 HD12 LEU 49 2HD1 LEU 49 5.055 5.327 -14.899 394 HD13 LEU 49 3HD1 LEU 49 3.815 5.665 -13.691 395 HD21 LEU 49 3HD2 LEU 49 7.066 6.040 -11.895 396 HD22 LEU 49 1HD2 LEU 49 5.576 6.887 -12.316 397 HD23 LEU 49 2HD2 LEU 49 6.759 6.507 -13.568 398 H GLU 50 H GLU 50 4.601 5.596 -8.778 399 HA GLU 50 HA GLU 50 4.420 3.784 -6.620 400 HB2 GLU 50 1HB GLU 50 2.714 6.199 -7.240 401 HB3 GLU 50 2HB GLU 50 2.788 5.373 -5.691 402 HG2 GLU 50 1HG GLU 50 5.126 5.998 -5.455 403 HG3 GLU 50 2HG GLU 50 5.078 6.794 -7.029 404 H LYS 51 H LYS 51 3.095 2.125 -6.316 405 HA LYS 51 HA LYS 51 0.861 1.718 -8.135 406 HB2 LYS 51 1HB LYS 51 2.137 -0.006 -6.014 407 HB3 LYS 51 2HB LYS 51 0.649 -0.466 -6.832 408 HG2 LYS 51 1HG LYS 51 1.755 -0.522 -8.952 409 HG3 LYS 51 2HG LYS 51 3.230 0.142 -8.251 410 HD2 LYS 51 1HD LYS 51 3.576 -1.852 -6.953 411 HD3 LYS 51 2HD LYS 51 2.011 -2.498 -7.452 412 HE2 LYS 51 1HE LYS 51 3.993 -3.459 -8.656 413 HE3 LYS 51 2HE LYS 51 2.746 -2.774 -9.696 414 HZ1 LYS 51 3HZ LYS 51 4.052 -0.867 -10.094 415 HZ2 LYS 51 1HZ LYS 51 5.088 -2.193 -10.298 416 HZ3 LYS 51 2HZ LYS 51 5.165 -1.269 -8.882 417 H THR 52 H THR 52 -0.870 2.890 -7.643 418 HA THR 52 HA THR 52 -1.522 3.510 -4.898 419 HB THR 52 HB THR 52 -3.168 4.169 -7.342 420 HG1 THR 52 HG1 THR 52 -1.181 5.042 -7.789 421 HG21 THR 52 3HG2 THR 52 -3.893 6.075 -5.980 422 HG22 THR 52 1HG2 THR 52 -2.878 5.512 -4.651 423 HG23 THR 52 2HG2 THR 52 -4.254 4.544 -5.183 424 H PHE 53 H PHE 53 -2.219 1.683 -3.874 425 HA PHE 53 HA PHE 53 -4.465 0.220 -5.052 426 HB2 PHE 53 1HB PHE 53 -2.702 -0.381 -2.672 427 HB3 PHE 53 2HB PHE 53 -4.125 -1.331 -3.085 428 HD1 PHE 53 HD2 PHE 53 -4.174 -2.107 -5.632 429 HD2 PHE 53 HD1 PHE 53 -0.669 -1.137 -3.424 430 HE1 PHE 53 HE2 PHE 53 -2.828 -3.463 -7.182 431 HE2 PHE 53 HE1 PHE 53 0.685 -2.489 -4.971 432 HZ PHE 53 HZ PHE 53 -0.396 -3.655 -6.853 433 H ARG 54 H ARG 54 -6.465 0.144 -4.089 434 HA ARG 54 HA ARG 54 -7.038 2.497 -2.493 435 HB2 ARG 54 1HB ARG 54 -9.122 0.560 -3.434 436 HB3 ARG 54 2HB ARG 54 -9.245 2.301 -3.208 437 HG2 ARG 54 1HG ARG 54 -7.682 2.564 -5.155 438 HG3 ARG 54 2HG ARG 54 -7.862 0.830 -5.435 439 HD2 ARG 54 1HD ARG 54 -10.399 1.351 -5.382 440 HD3 ARG 54 2HD ARG 54 -9.889 3.011 -5.680 441 HE ARG 54 HE ARG 54 -9.601 0.734 -7.499 442 HH11 ARG 54 1HH1 ARG 54 -8.948 4.128 -6.876 443 HH12 ARG 54 2HH1 ARG 54 -8.818 4.523 -8.570 444 HH21 ARG 54 1HH2 ARG 54 -9.389 1.266 -9.699 445 HH22 ARG 54 2HH2 ARG 54 -9.049 2.904 -10.163 446 H LEU 55 H LEU 55 -7.836 2.501 -0.458 447 HA LEU 55 HA LEU 55 -8.164 -0.086 0.898 448 HB2 LEU 55 1HB LEU 55 -6.539 2.280 1.838 449 HB3 LEU 55 2HB LEU 55 -6.976 0.926 2.863 450 HG LEU 55 HG LEU 55 -5.287 0.704 0.368 451 HD11 LEU 55 1HD1 LEU 55 -4.149 1.997 2.092 452 HD12 LEU 55 2HD1 LEU 55 -3.412 0.404 1.911 453 HD13 LEU 55 3HD1 LEU 55 -4.482 0.732 3.274 454 HD21 LEU 55 3HD2 LEU 55 -4.774 -1.528 1.223 455 HD22 LEU 55 1HD2 LEU 55 -6.502 -1.341 0.926 456 HD23 LEU 55 2HD2 LEU 55 -5.877 -1.266 2.574 457 H GLN 56 H GLN 56 -9.135 0.232 3.105 458 HA GLN 56 HA GLN 56 -11.247 2.257 3.020 459 HB2 GLN 56 1HB GLN 56 -10.845 -0.086 4.897 460 HB3 GLN 56 2HB GLN 56 -12.252 0.967 4.862 461 HG2 GLN 56 1HG GLN 56 -12.822 0.193 2.646 462 HG3 GLN 56 2HG GLN 56 -11.361 -0.791 2.587 463 HE21 GLN 56 2HE2 GLN 56 -14.152 -1.577 2.339 464 HE22 GLN 56 1HE2 GLN 56 -14.434 -2.757 3.573 465 H ALA 57 H ALA 57 -11.775 3.221 5.275 466 HA ALA 57 HA ALA 57 -9.523 4.715 6.131 467 HB1 ALA 57 3HB ALA 57 -11.011 5.643 7.831 468 HB2 ALA 57 1HB ALA 57 -12.204 4.391 7.483 469 HB3 ALA 57 2HB ALA 57 -11.806 5.596 6.258 470 H GLN 58 H GLN 58 -11.235 1.939 7.434 471 HA GLN 58 HA GLN 58 -9.847 1.638 9.848 472 HB2 GLN 58 1HB GLN 58 -11.837 0.366 9.463 473 HB3 GLN 58 2HB GLN 58 -11.164 -0.367 8.015 474 HG2 GLN 58 1HG GLN 58 -9.541 -1.577 9.380 475 HG3 GLN 58 2HG GLN 58 -10.215 -0.839 10.833 476 HE21 GLN 58 2HE2 GLN 58 -10.007 -3.655 9.941 477 HE22 GLN 58 1HE2 GLN 58 -11.623 -4.273 10.029 478 H GLN 59 H GLN 59 -9.137 0.467 6.593 479 HA GLN 59 HA GLN 59 -6.853 -1.048 7.339 480 HB2 GLN 59 1HB GLN 59 -7.852 -0.017 4.692 481 HB3 GLN 59 2HB GLN 59 -6.378 -0.965 4.844 482 HG2 GLN 59 1HG GLN 59 -7.580 -2.847 5.664 483 HG3 GLN 59 2HG GLN 59 -9.064 -1.907 5.810 484 HE21 GLN 59 2HE2 GLN 59 -8.434 -4.365 4.293 485 HE22 GLN 59 1HE2 GLN 59 -8.877 -4.006 2.658 486 H TYR 60 H TYR 60 -7.346 2.262 6.220 487 HA TYR 60 HA TYR 60 -4.608 2.888 5.877 488 HB2 TYR 60 1HB TYR 60 -6.334 4.308 4.906 489 HB3 TYR 60 2HB TYR 60 -6.954 4.699 6.507 490 HD1 TYR 60 HD2 TYR 60 -3.793 4.910 4.522 491 HD2 TYR 60 HD1 TYR 60 -6.256 6.670 7.513 492 HE1 TYR 60 HE2 TYR 60 -2.257 6.827 4.651 493 HE2 TYR 60 HE1 TYR 60 -4.726 8.589 7.651 494 HH TYR 60 HH TYR 60 -2.341 9.073 7.174 495 H HIS 61 H HIS 61 -6.645 2.622 8.652 496 HA HIS 61 HA HIS 61 -4.963 4.102 10.440 497 HB2 HIS 61 1HB HIS 61 -7.394 3.782 10.824 498 HB3 HIS 61 2HB HIS 61 -7.119 2.060 11.050 499 HD1 HIS 61 HD1 HIS 61 -6.155 5.368 12.658 500 HD2 HIS 61 HD2 HIS 61 -6.589 1.344 13.627 501 HE1 HIS 61 HE1 HIS 61 -5.860 5.234 15.149 502 HE2 HIS 61 HE2 HIS 61 -5.977 2.780 15.698 503 H ALA 62 H ALA 62 -4.633 1.132 8.943 504 HA ALA 62 HA ALA 62 -3.315 -0.191 11.171 505 HB1 ALA 62 3HB ALA 62 -4.796 -1.488 9.716 506 HB2 ALA 62 1HB ALA 62 -3.148 -2.116 9.701 507 HB3 ALA 62 2HB ALA 62 -3.736 -1.152 8.346 508 H LEU 63 H LEU 63 -2.459 1.459 8.190 509 HA LEU 63 HA LEU 63 0.361 0.797 8.721 510 HB2 LEU 63 1HB LEU 63 0.868 0.810 6.444 511 HB3 LEU 63 2HB LEU 63 -0.649 -0.056 6.547 512 HG LEU 63 HG LEU 63 -0.418 2.846 5.737 513 HD11 LEU 63 1HD1 LEU 63 0.718 1.416 4.127 514 HD12 LEU 63 2HD1 LEU 63 -0.781 2.054 3.455 515 HD13 LEU 63 3HD1 LEU 63 -0.709 0.386 4.020 516 HD21 LEU 63 3HD2 LEU 63 -2.696 2.462 4.847 517 HD22 LEU 63 1HD2 LEU 63 -2.604 2.327 6.602 518 HD23 LEU 63 2HD2 LEU 63 -2.692 0.871 5.611 519 H THR 64 H THR 64 1.914 2.481 7.909 520 HA THR 64 HA THR 64 0.853 5.176 8.457 521 HB THR 64 HB THR 64 3.575 4.132 9.262 522 HG1 THR 64 HG1 THR 64 1.161 4.412 10.745 523 HG21 THR 64 3HG2 THR 64 3.504 6.552 8.929 524 HG22 THR 64 1HG2 THR 64 3.685 6.155 10.638 525 HG23 THR 64 2HG2 THR 64 2.116 6.664 10.012 526 H VAL 65 H VAL 65 1.557 6.821 7.130 527 HA VAL 65 HA VAL 65 2.865 6.166 4.684 528 HB VAL 65 HB VAL 65 2.178 8.831 5.935 529 HG11 VAL 65 1HG1 VAL 65 4.150 9.122 4.520 530 HG12 VAL 65 2HG1 VAL 65 2.728 9.858 3.780 531 HG13 VAL 65 3HG1 VAL 65 3.326 8.307 3.192 532 HG21 VAL 65 3HG2 VAL 65 0.282 7.496 5.198 533 HG22 VAL 65 1HG2 VAL 65 1.019 7.302 3.607 534 HG23 VAL 65 2HG2 VAL 65 0.494 8.898 4.146 535 H GLY 66 H GLY 66 4.960 5.944 4.320 536 HA2 GLY 66 1HA GLY 66 7.247 6.618 4.527 537 HA3 GLY 66 2HA GLY 66 6.881 7.255 6.125 538 H ASP 67 H ASP 67 5.249 4.556 6.317 539 HA ASP 67 HA ASP 67 7.361 3.205 7.740 540 HB2 ASP 67 1HB ASP 67 4.939 3.312 8.491 541 HB3 ASP 67 2HB ASP 67 4.580 2.144 7.226 542 H GLN 68 H GLN 68 8.830 2.568 6.231 543 HA GLN 68 HA GLN 68 8.203 1.103 3.892 544 HB2 GLN 68 1HB GLN 68 10.808 0.960 5.413 545 HB3 GLN 68 2HB GLN 68 10.551 0.696 3.694 546 HG2 GLN 68 1HG GLN 68 9.845 3.104 3.541 547 HG3 GLN 68 2HG GLN 68 10.414 3.294 5.198 548 HE21 GLN 68 2HE2 GLN 68 11.368 4.630 2.856 549 HE22 GLN 68 1HE2 GLN 68 13.043 4.212 2.667 550 H GLY 69 H GLY 69 7.735 -0.986 3.606 551 HA2 GLY 69 1HA GLY 69 8.484 -3.010 5.519 552 HA3 GLY 69 2HA GLY 69 6.773 -2.605 5.557 553 H THR 70 H THR 70 6.662 -4.961 4.957 554 HA THR 70 HA THR 70 7.470 -5.520 2.203 555 HB THR 70 HB THR 70 6.419 -7.435 4.296 556 HG1 THR 70 HG1 THR 70 8.608 -6.180 4.466 557 HG21 THR 70 3HG2 THR 70 6.199 -8.255 1.991 558 HG22 THR 70 1HG2 THR 70 7.431 -9.159 2.872 559 HG23 THR 70 2HG2 THR 70 7.908 -7.922 1.709 560 H LEU 71 H LEU 71 6.049 -5.988 0.595 561 HA LEU 71 HA LEU 71 3.185 -5.771 1.259 562 HB2 LEU 71 1HB LEU 71 3.989 -3.846 -0.008 563 HB3 LEU 71 2HB LEU 71 4.652 -4.905 -1.236 564 HG LEU 71 HG LEU 71 2.348 -5.654 -1.786 565 HD11 LEU 71 1HD1 LEU 71 1.530 -3.474 0.129 566 HD12 LEU 71 2HD1 LEU 71 1.293 -5.206 0.363 567 HD13 LEU 71 3HD1 LEU 71 0.450 -4.369 -0.941 568 HD21 LEU 71 3HD2 LEU 71 1.683 -3.593 -2.927 569 HD22 LEU 71 1HD2 LEU 71 3.416 -3.889 -3.076 570 HD23 LEU 71 2HD2 LEU 71 2.822 -2.680 -1.938 571 H SER 72 H SER 72 1.917 -7.403 0.695 572 HA SER 72 HA SER 72 3.021 -9.542 -0.994 573 HB2 SER 72 1HB SER 72 0.620 -9.592 0.853 574 HB3 SER 72 2HB SER 72 1.342 -10.972 0.026 575 HG SER 72 HG SER 72 2.924 -9.383 1.715 576 H TYR 73 H TYR 73 2.415 -9.440 -3.058 577 HA TYR 73 HA TYR 73 -0.349 -8.713 -3.690 578 HB2 TYR 73 1HB TYR 73 0.381 -7.210 -5.494 579 HB3 TYR 73 2HB TYR 73 0.931 -6.638 -3.925 580 HD1 TYR 73 HD1 TYR 73 3.347 -6.894 -3.304 581 HD2 TYR 73 HD2 TYR 73 1.922 -7.759 -7.217 582 HE1 TYR 73 HE1 TYR 73 5.648 -6.764 -4.165 583 HE2 TYR 73 HE2 TYR 73 4.217 -7.636 -8.088 584 HH TYR 73 HH TYR 73 6.938 -7.688 -6.126 585 H LYS 74 H LYS 74 -0.811 -9.149 -6.050 586 HA LYS 74 HA LYS 74 0.950 -11.161 -7.241 587 HB2 LYS 74 1HB LYS 74 -2.047 -11.489 -6.936 588 HB3 LYS 74 2HB LYS 74 -1.023 -12.520 -7.924 589 HG2 LYS 74 1HG LYS 74 0.241 -13.119 -5.861 590 HG3 LYS 74 2HG LYS 74 -0.963 -12.223 -4.931 591 HD2 LYS 74 1HD LYS 74 -2.721 -13.691 -5.813 592 HD3 LYS 74 2HD LYS 74 -1.505 -14.594 -6.720 593 HE2 LYS 74 1HE LYS 74 -0.378 -15.111 -4.558 594 HE3 LYS 74 2HE LYS 74 -1.730 -14.348 -3.724 595 HZ1 LYS 74 3HZ LYS 74 -1.850 -16.747 -5.470 596 HZ2 LYS 74 1HZ LYS 74 -3.208 -15.977 -4.804 597 HZ3 LYS 74 2HZ LYS 74 -2.061 -16.704 -3.787 598 H GLY 75 H GLY 75 1.627 -9.631 -8.716 599 HA2 GLY 75 1HA GLY 75 1.513 -8.377 -10.653 600 HA3 GLY 75 2HA GLY 75 -0.128 -8.976 -10.889 601 H THR 76 H THR 76 -1.231 -7.095 -11.279 602 HA THR 76 HA THR 76 -0.890 -4.871 -9.439 603 HB THR 76 HB THR 76 -2.902 -5.024 -11.690 604 HG1 THR 76 HG1 THR 76 -1.299 -4.840 -13.050 605 HG21 THR 76 3HG2 THR 76 -3.192 -3.191 -10.088 606 HG22 THR 76 1HG2 THR 76 -2.678 -2.579 -11.661 607 HG23 THR 76 2HG2 THR 76 -1.517 -2.700 -10.338 608 H ARG 77 H ARG 77 -1.625 -6.534 -7.749 609 HA ARG 77 HA ARG 77 -4.378 -5.909 -7.125 610 HB2 ARG 77 1HB ARG 77 -4.631 -7.987 -8.399 611 HB3 ARG 77 2HB ARG 77 -3.478 -8.788 -7.338 612 HG2 ARG 77 1HG ARG 77 -4.957 -8.734 -5.511 613 HG3 ARG 77 2HG ARG 77 -6.017 -7.567 -6.303 614 HD2 ARG 77 1HD ARG 77 -5.562 -10.417 -7.182 615 HD3 ARG 77 2HD ARG 77 -6.979 -9.818 -6.319 616 HE ARG 77 HE ARG 77 -6.216 -9.000 -9.055 617 HH11 ARG 77 1HH1 ARG 77 -8.636 -9.597 -6.591 618 HH12 ARG 77 2HH1 ARG 77 -9.976 -9.246 -7.639 619 HH21 ARG 77 1HH2 ARG 77 -7.965 -8.588 -10.449 620 HH22 ARG 77 2HH2 ARG 77 -9.597 -8.699 -9.850 621 H PHE 78 H PHE 78 -4.515 -5.407 -5.083 622 HA PHE 78 HA PHE 78 -2.301 -5.815 -3.300 623 HB2 PHE 78 1HB PHE 78 -3.549 -3.699 -3.328 624 HB3 PHE 78 2HB PHE 78 -5.016 -4.548 -2.864 625 HD1 PHE 78 HD2 PHE 78 -1.707 -3.427 -1.723 626 HD2 PHE 78 HD1 PHE 78 -5.433 -5.148 -0.599 627 HE1 PHE 78 HE2 PHE 78 -1.165 -3.046 0.645 628 HE2 PHE 78 HE1 PHE 78 -4.898 -4.769 1.772 629 HZ PHE 78 HZ PHE 78 -2.761 -3.719 2.397 630 H VAL 79 H VAL 79 -2.042 -7.647 -2.190 631 HA VAL 79 HA VAL 79 -4.408 -9.198 -1.426 632 HB VAL 79 HB VAL 79 -1.485 -9.941 -1.166 633 HG11 VAL 79 1HG1 VAL 79 -2.318 -12.213 -0.793 634 HG12 VAL 79 2HG1 VAL 79 -3.976 -11.614 -0.854 635 HG13 VAL 79 3HG1 VAL 79 -2.900 -11.099 0.445 636 HG21 VAL 79 3HG2 VAL 79 -3.515 -10.771 -3.237 637 HG22 VAL 79 1HG2 VAL 79 -1.883 -11.419 -3.082 638 HG23 VAL 79 2HG2 VAL 79 -2.122 -9.723 -3.502 639 H GLY 80 H GLY 80 -1.446 -7.831 0.000 640 HA2 GLY 80 1HA GLY 80 -2.791 -6.755 2.228 641 HA3 GLY 80 2HA GLY 80 -2.090 -8.301 2.685 642 H PHE 81 H PHE 81 -1.515 -5.360 3.315 643 HA PHE 81 HA PHE 81 1.320 -5.314 2.589 644 HB2 PHE 81 1HB PHE 81 0.096 -3.223 2.230 645 HB3 PHE 81 2HB PHE 81 -0.406 -3.206 3.916 646 HD1 PHE 81 HD2 PHE 81 2.695 -3.305 1.847 647 HD2 PHE 81 HD1 PHE 81 0.814 -1.962 5.421 648 HE1 PHE 81 HE2 PHE 81 4.722 -2.041 2.436 649 HE2 PHE 81 HE1 PHE 81 2.837 -0.696 6.015 650 HZ PHE 81 HZ PHE 81 4.795 -0.734 4.522 651 H VAL 82 H VAL 82 2.813 -5.951 3.985 652 HA VAL 82 HA VAL 82 1.962 -6.415 6.762 653 HB VAL 82 HB VAL 82 4.200 -7.816 5.290 654 HG11 VAL 82 1HG1 VAL 82 4.513 -7.731 7.701 655 HG12 VAL 82 2HG1 VAL 82 4.138 -9.373 7.181 656 HG13 VAL 82 3HG1 VAL 82 2.895 -8.387 7.949 657 HG21 VAL 82 3HG2 VAL 82 2.715 -9.766 5.207 658 HG22 VAL 82 1HG2 VAL 82 2.056 -8.408 4.296 659 HG23 VAL 82 2HG2 VAL 82 1.409 -8.796 5.890 660 H SER 83 H SER 83 2.525 -4.444 7.602 661 HA SER 83 HA SER 83 5.162 -3.372 7.351 662 HB2 SER 83 1HB SER 83 4.381 -1.953 9.322 663 HB3 SER 83 2HB SER 83 3.411 -1.825 7.855 664 HG SER 83 HG SER 83 2.601 -2.492 10.278 665 H ARG 84 H ARG 84 6.564 -3.122 9.383 666 HA ARG 84 HA ARG 84 6.733 -5.802 10.539 667 HB2 ARG 84 1HB ARG 84 8.699 -4.655 9.342 668 HB3 ARG 84 2HB ARG 84 8.845 -3.676 10.798 669 HG2 ARG 84 1HG ARG 84 9.273 -5.604 12.137 670 HG3 ARG 84 2HG ARG 84 8.898 -6.684 10.794 671 HD2 ARG 84 1HD ARG 84 10.820 -5.758 9.558 672 HD3 ARG 84 2HD ARG 84 11.211 -4.758 10.958 673 HE ARG 84 HE ARG 84 11.143 -7.263 11.979 674 HH11 ARG 84 1HH1 ARG 84 12.818 -5.794 9.286 675 HH12 ARG 84 2HH1 ARG 84 14.180 -6.870 9.374 676 HH21 ARG 84 1HH2 ARG 84 12.930 -8.701 12.095 677 HH22 ARG 84 2HH2 ARG 84 14.241 -8.531 10.968 678 H THR 85 H THR 85 5.019 -3.382 11.349 679 HA THR 85 HA THR 85 5.686 -2.780 14.022 680 HB THR 85 HB THR 85 2.841 -2.834 13.698 681 HG1 THR 85 HG1 THR 85 4.240 -1.538 11.562 682 HG21 THR 85 3HG2 THR 85 4.086 -1.250 15.090 683 HG22 THR 85 1HG2 THR 85 3.084 -0.403 13.911 684 HG23 THR 85 2HG2 THR 85 4.822 -0.553 13.647 685 HA PRO 86 HA PRO 86 3.010 -6.656 15.182 686 HB2 PRO 86 1HB PRO 86 2.690 -8.150 12.683 687 HB3 PRO 86 2HB PRO 86 1.468 -7.684 13.868 688 HG2 PRO 86 1HG PRO 86 1.586 -6.568 11.419 689 HG3 PRO 86 2HG PRO 86 1.058 -5.662 12.849 690 HD2 PRO 86 1HD PRO 86 3.723 -5.651 11.477 691 HD3 PRO 86 2HD PRO 86 2.778 -4.286 12.113 692 H ASP 87 H ASP 87 3.397 -9.275 14.556 693 HA ASP 87 HA ASP 87 6.279 -9.465 14.973 694 HB2 ASP 87 1HB ASP 87 4.103 -11.549 15.264 695 HB3 ASP 87 2HB ASP 87 5.792 -11.770 15.711 696 H ASN 88 H ASN 88 4.509 -9.404 12.304 697 HA ASN 88 HA ASN 88 4.582 -10.267 10.201 698 HB2 ASN 88 1HB ASN 88 7.360 -11.000 11.139 699 HB3 ASN 88 2HB ASN 88 6.804 -11.306 9.497 700 HD21 ASN 88 2HD2 ASN 88 6.606 -9.626 8.062 701 HD22 ASN 88 1HD2 ASN 88 7.148 -8.019 8.426 702 H GLU 89 H GLU 89 3.584 -11.874 12.440 703 HA GLU 89 HA GLU 89 4.329 -14.602 12.014 704 HB2 GLU 89 1HB GLU 89 3.495 -13.653 14.178 705 HB3 GLU 89 2HB GLU 89 1.904 -13.507 13.447 706 HG2 GLU 89 1HG GLU 89 1.812 -15.921 13.138 707 HG3 GLU 89 2HG GLU 89 3.419 -16.075 13.850 708 H LEU 90 H LEU 90 2.413 -12.474 10.310 709 HA LEU 90 HA LEU 90 0.454 -14.292 9.295 710 HB2 LEU 90 1HB LEU 90 1.508 -11.728 8.089 711 HB3 LEU 90 2HB LEU 90 0.055 -12.573 7.593 712 HG LEU 90 HG LEU 90 0.480 -11.279 10.289 713 HD11 LEU 90 1HD1 LEU 90 -1.142 -9.628 9.511 714 HD12 LEU 90 2HD1 LEU 90 -1.181 -10.409 7.929 715 HD13 LEU 90 3HD1 LEU 90 0.300 -9.639 8.497 716 HD21 LEU 90 3HD2 LEU 90 -1.011 -13.207 10.400 717 HD22 LEU 90 1HD2 LEU 90 -1.969 -12.551 9.072 718 HD23 LEU 90 2HD2 LEU 90 -1.904 -11.702 10.617 719 H GLU 91 H GLU 91 3.758 -13.631 8.692 720 HA GLU 91 HA GLU 91 3.761 -14.877 6.056 721 HB2 GLU 91 1HB GLU 91 5.967 -13.671 7.728 722 HB3 GLU 91 2HB GLU 91 6.213 -14.392 6.149 723 HG2 GLU 91 1HG GLU 91 4.824 -12.681 5.133 724 HG3 GLU 91 2HG GLU 91 4.519 -11.974 6.724 725 H HIS 92 H HIS 92 4.686 -16.859 5.631 726 HA HIS 92 HA HIS 92 5.798 -18.382 7.835 727 HB2 HIS 92 1HB HIS 92 5.475 -18.986 4.886 728 HB3 HIS 92 2HB HIS 92 6.351 -20.052 5.984 729 HD1 HIS 92 HD1 HIS 92 3.659 -20.810 4.456 730 HD2 HIS 92 HD2 HIS 92 3.994 -19.611 8.430 731 HE1 HIS 92 HE1 HIS 92 1.626 -21.726 5.622 732 HE2 HIS 92 HE2 HIS 92 1.901 -21.082 8.044 733 H HIS 93 H HIS 93 7.795 -18.020 8.484 734 HA HIS 93 HA HIS 93 9.283 -15.941 7.322 735 HB2 HIS 93 1HB HIS 93 10.125 -17.979 9.392 736 HB3 HIS 93 2HB HIS 93 11.041 -16.531 8.980 737 HD1 HIS 93 HD1 HIS 93 9.642 -14.205 9.386 738 HD2 HIS 93 HD2 HIS 93 8.291 -17.598 11.368 739 HE1 HIS 93 HE1 HIS 93 8.142 -13.363 11.214 740 HE2 HIS 93 HE2 HIS 93 7.495 -15.421 12.521 741 H HIS 94 H HIS 94 10.244 -16.021 5.467 742 HA HIS 94 HA HIS 94 11.515 -18.536 4.624 743 HB2 HIS 94 1HB HIS 94 11.166 -17.687 2.292 744 HB3 HIS 94 2HB HIS 94 9.681 -18.000 3.178 745 HD1 HIS 94 HD1 HIS 94 8.300 -15.886 3.950 746 HD2 HIS 94 HD2 HIS 94 11.520 -15.086 1.442 747 HE1 HIS 94 HE1 HIS 94 7.948 -13.536 3.121 748 HE2 HIS 94 HE2 HIS 94 9.775 -13.181 1.423 749 H HIS 95 H HIS 95 12.600 -16.183 6.177 750 HA HIS 95 HA HIS 95 14.940 -15.751 4.444 751 HB2 HIS 95 1HB HIS 95 13.722 -13.971 6.540 752 HB3 HIS 95 2HB HIS 95 15.414 -13.804 6.084 753 HD1 HIS 95 HD1 HIS 95 15.610 -13.720 3.239 754 HD2 HIS 95 HD2 HIS 95 12.193 -12.251 5.113 755 HE1 HIS 95 HE1 HIS 95 14.535 -12.165 1.577 756 HE2 HIS 95 HE2 HIS 95 12.574 -11.153 2.794 757 H HIS 96 H HIS 96 13.882 -16.328 7.772 758 HA HIS 96 HA HIS 96 16.320 -17.916 8.151 759 HB2 HIS 96 1HB HIS 96 15.122 -16.029 10.198 760 HB3 HIS 96 2HB HIS 96 16.432 -17.159 10.512 761 HD1 HIS 96 HD1 HIS 96 15.786 -13.751 9.531 762 HD2 HIS 96 HD2 HIS 96 18.825 -16.517 8.878 763 HE1 HIS 96 HE1 HIS 96 17.782 -12.405 8.785 764 HE2 HIS 96 HE2 HIS 96 19.626 -14.091 8.442 765 H HIS 97 H HIS 97 15.757 -19.950 8.588 766 HA HIS 97 HA HIS 97 13.119 -20.401 9.770 767 HB2 HIS 97 1HB HIS 97 13.370 -22.767 9.052 768 HB3 HIS 97 2HB HIS 97 13.379 -21.627 7.718 769 HD1 HIS 97 HD1 HIS 97 15.353 -21.676 6.170 770 HD2 HIS 97 HD2 HIS 97 15.923 -23.984 9.586 771 HE1 HIS 97 HE1 HIS 97 17.450 -23.002 5.755 772 HE2 HIS 97 HE2 HIS 97 17.873 -24.252 7.906 Start of MODEL 18 1 H1 MET 1 1H MET 1 1.380 -23.400 0.000 2 H2 MET 1 2H MET 1 3.030 -23.096 0.240 3 H3 MET 1 3H MET 1 2.527 -24.601 -0.357 4 HA MET 1 HA MET 1 3.437 -23.278 -2.124 5 HB2 MET 1 1HB MET 1 0.426 -23.560 -2.259 6 HB3 MET 1 2HB MET 1 1.465 -23.276 -3.648 7 HG2 MET 1 1HG MET 1 2.578 -25.395 -3.283 8 HG3 MET 1 2HG MET 1 1.607 -25.676 -1.840 9 HE1 MET 1 3HE MET 1 0.891 -28.056 -2.741 10 HE2 MET 1 1HE MET 1 1.865 -27.806 -4.191 11 HE3 MET 1 2HE MET 1 0.187 -28.330 -4.335 12 H ALA 2 H ALA 2 4.201 -21.273 -2.108 13 HA ALA 2 HA ALA 2 2.267 -19.060 -2.050 14 HB1 ALA 2 3HB ALA 2 3.728 -17.749 -0.598 15 HB2 ALA 2 1HB ALA 2 4.832 -19.119 -0.463 16 HB3 ALA 2 2HB ALA 2 3.202 -19.232 0.199 17 HA PRO 3 HA PRO 3 5.198 -18.303 -5.457 18 HB2 PRO 3 1HB PRO 3 3.225 -18.253 -7.400 19 HB3 PRO 3 2HB PRO 3 4.176 -19.668 -6.950 20 HG2 PRO 3 1HG PRO 3 1.382 -19.252 -6.569 21 HG3 PRO 3 2HG PRO 3 2.350 -20.638 -6.049 22 HD2 PRO 3 1HD PRO 3 1.437 -18.283 -4.501 23 HD3 PRO 3 2HD PRO 3 1.835 -19.922 -3.941 24 H LEU 4 H LEU 4 3.154 -16.482 -3.787 25 HA LEU 4 HA LEU 4 2.653 -14.349 -5.653 26 HB2 LEU 4 1HB LEU 4 1.602 -13.197 -3.909 27 HB3 LEU 4 2HB LEU 4 1.230 -14.883 -3.615 28 HG LEU 4 HG LEU 4 3.362 -13.317 -2.152 29 HD11 LEU 4 1HD1 LEU 4 1.801 -13.350 -0.273 30 HD12 LEU 4 2HD1 LEU 4 0.583 -14.110 -1.297 31 HD13 LEU 4 3HD1 LEU 4 1.137 -12.474 -1.652 32 HD21 LEU 4 3HD2 LEU 4 2.196 -16.052 -1.642 33 HD22 LEU 4 1HD2 LEU 4 3.346 -15.211 -0.601 34 HD23 LEU 4 2HD2 LEU 4 3.824 -15.707 -2.224 35 H GLN 5 H GLN 5 3.523 -12.155 -5.336 36 HA GLN 5 HA GLN 5 6.396 -12.374 -4.817 37 HB2 GLN 5 1HB GLN 5 4.808 -10.253 -6.273 38 HB3 GLN 5 2HB GLN 5 6.554 -10.238 -6.070 39 HG2 GLN 5 1HG GLN 5 6.725 -12.313 -7.343 40 HG3 GLN 5 2HG GLN 5 4.973 -12.336 -7.537 41 HE21 GLN 5 2HE2 GLN 5 5.126 -12.272 -9.771 42 HE22 GLN 5 1HE2 GLN 5 5.578 -10.838 -10.630 43 H GLN 6 H GLN 6 7.173 -11.655 -2.954 44 HA GLN 6 HA GLN 6 5.695 -9.548 -1.547 45 HB2 GLN 6 1HB GLN 6 7.689 -11.580 -0.557 46 HB3 GLN 6 2HB GLN 6 7.164 -10.209 0.412 47 HG2 GLN 6 1HG GLN 6 4.822 -11.009 0.143 48 HG3 GLN 6 2HG GLN 6 5.462 -12.452 -0.641 49 HE21 GLN 6 2HE2 GLN 6 3.941 -12.087 1.858 50 HE22 GLN 6 1HE2 GLN 6 4.891 -12.850 3.094 51 H LYS 7 H LYS 7 6.387 -7.617 -2.037 52 HA LYS 7 HA LYS 7 9.296 -7.133 -2.127 53 HB2 LYS 7 1HB LYS 7 8.261 -6.965 -4.385 54 HB3 LYS 7 2HB LYS 7 7.168 -5.733 -3.768 55 HG2 LYS 7 1HG LYS 7 9.263 -4.414 -3.162 56 HG3 LYS 7 2HG LYS 7 10.136 -5.562 -4.180 57 HD2 LYS 7 1HD LYS 7 7.850 -3.787 -5.037 58 HD3 LYS 7 2HD LYS 7 9.553 -3.565 -5.442 59 HE2 LYS 7 1HE LYS 7 7.957 -6.010 -6.193 60 HE3 LYS 7 2HE LYS 7 8.142 -4.609 -7.243 61 HZ1 LYS 7 3HZ LYS 7 10.441 -6.149 -6.167 62 HZ2 LYS 7 1HZ LYS 7 10.462 -4.972 -7.387 63 HZ3 LYS 7 2HZ LYS 7 9.723 -6.474 -7.668 64 H GLN 8 H GLN 8 9.996 -5.436 -0.877 65 HA GLN 8 HA GLN 8 8.031 -4.206 0.840 66 HB2 GLN 8 1HB GLN 8 11.038 -3.980 0.744 67 HB3 GLN 8 2HB GLN 8 10.033 -3.106 1.893 68 HG2 GLN 8 1HG GLN 8 9.110 -5.354 2.589 69 HG3 GLN 8 2HG GLN 8 10.417 -6.069 1.648 70 HE21 GLN 8 2HE2 GLN 8 9.822 -6.138 4.513 71 HE22 GLN 8 1HE2 GLN 8 11.249 -5.549 5.307 72 H VAL 9 H VAL 9 7.280 -2.205 0.746 73 HA VAL 9 HA VAL 9 8.279 -0.469 -1.410 74 HB VAL 9 HB VAL 9 5.920 0.244 -1.810 75 HG11 VAL 9 1HG1 VAL 9 5.273 -1.742 -3.104 76 HG12 VAL 9 2HG1 VAL 9 6.496 -2.685 -2.253 77 HG13 VAL 9 3HG1 VAL 9 6.982 -1.355 -3.304 78 HG21 VAL 9 3HG2 VAL 9 4.105 -1.213 -1.023 79 HG22 VAL 9 1HG2 VAL 9 4.948 -0.427 0.313 80 HG23 VAL 9 2HG2 VAL 9 5.266 -2.122 -0.056 81 H VAL 10 H VAL 10 7.510 1.791 -1.182 82 HA VAL 10 HA VAL 10 7.543 2.607 1.641 83 HB VAL 10 HB VAL 10 8.050 4.288 -0.824 84 HG11 VAL 10 1HG1 VAL 10 7.224 5.601 1.042 85 HG12 VAL 10 2HG1 VAL 10 8.933 5.938 0.767 86 HG13 VAL 10 3HG1 VAL 10 8.444 4.897 2.103 87 HG21 VAL 10 3HG2 VAL 10 10.405 4.224 -0.177 88 HG22 VAL 10 1HG2 VAL 10 9.790 2.611 -0.541 89 HG23 VAL 10 2HG2 VAL 10 10.014 3.114 1.134 90 H VAL 11 H VAL 11 5.649 3.176 2.501 91 HA VAL 11 HA VAL 11 3.359 3.868 0.945 92 HB VAL 11 HB VAL 11 3.803 4.431 3.883 93 HG11 VAL 11 1HG1 VAL 11 1.881 5.576 2.922 94 HG12 VAL 11 2HG1 VAL 11 1.359 4.296 4.018 95 HG13 VAL 11 3HG1 VAL 11 1.279 4.049 2.274 96 HG21 VAL 11 3HG2 VAL 11 2.718 2.264 4.302 97 HG22 VAL 11 1HG2 VAL 11 4.253 2.086 3.452 98 HG23 VAL 11 2HG2 VAL 11 2.734 1.934 2.570 99 H SER 12 H SER 12 3.625 5.606 -0.313 100 HA SER 12 HA SER 12 5.307 7.788 0.386 101 HB2 SER 12 1HB SER 12 5.006 6.961 -1.928 102 HB3 SER 12 2HB SER 12 3.336 7.517 -1.895 103 HG SER 12 HG SER 12 4.726 9.015 -2.912 104 H ASN 13 H ASN 13 1.785 7.621 -0.203 105 HA ASN 13 HA ASN 13 1.102 9.396 1.872 106 HB2 ASN 13 1HB ASN 13 2.287 11.025 0.392 107 HB3 ASN 13 2HB ASN 13 1.141 10.653 -0.889 108 HD21 ASN 13 2HD2 ASN 13 0.407 12.756 -1.011 109 HD22 ASN 13 1HD2 ASN 13 -0.595 13.458 0.215 110 H LYS 14 H LYS 14 -1.195 9.996 1.795 111 HA LYS 14 HA LYS 14 -2.800 8.060 0.347 112 HB2 LYS 14 1HB LYS 14 -4.699 9.013 1.589 113 HB3 LYS 14 2HB LYS 14 -3.394 8.563 2.676 114 HG2 LYS 14 1HG LYS 14 -2.794 10.797 3.062 115 HG3 LYS 14 2HG LYS 14 -3.718 11.372 1.673 116 HD2 LYS 14 1HD LYS 14 -5.801 10.702 2.821 117 HD3 LYS 14 2HD LYS 14 -4.845 10.216 4.224 118 HE2 LYS 14 1HE LYS 14 -4.095 12.468 4.568 119 HE3 LYS 14 2HE LYS 14 -4.839 12.996 3.060 120 HZ1 LYS 14 3HZ LYS 14 -6.341 11.937 5.396 121 HZ2 LYS 14 1HZ LYS 14 -7.004 12.589 3.979 122 HZ3 LYS 14 2HZ LYS 14 -6.140 13.583 5.046 123 H ARG 15 H ARG 15 -4.018 8.499 -1.416 124 HA ARG 15 HA ARG 15 -4.115 11.279 -2.339 125 HB2 ARG 15 1HB ARG 15 -3.206 8.891 -3.955 126 HB3 ARG 15 2HB ARG 15 -3.638 10.441 -4.667 127 HG2 ARG 15 1HG ARG 15 -1.863 11.530 -3.399 128 HG3 ARG 15 2HG ARG 15 -1.441 9.989 -2.656 129 HD2 ARG 15 1HD ARG 15 -0.808 9.084 -4.813 130 HD3 ARG 15 2HD ARG 15 -1.324 10.570 -5.615 131 HE ARG 15 HE ARG 15 0.494 11.490 -3.864 132 HH11 ARG 15 1HH1 ARG 15 0.638 8.866 -6.196 133 HH12 ARG 15 2HH1 ARG 15 2.358 8.981 -6.409 134 HH21 ARG 15 1HH2 ARG 15 2.756 11.648 -4.165 135 HH22 ARG 15 2HH2 ARG 15 3.554 10.563 -5.268 136 H GLU 16 H GLU 16 -5.811 11.786 -3.703 137 HA GLU 16 HA GLU 16 -8.070 9.909 -3.572 138 HB2 GLU 16 1HB GLU 16 -8.319 12.062 -2.351 139 HB3 GLU 16 2HB GLU 16 -8.081 12.923 -3.863 140 HG2 GLU 16 1HG GLU 16 -10.111 11.824 -4.753 141 HG3 GLU 16 2HG GLU 16 -10.366 11.096 -3.166 142 H LYS 17 H LYS 17 -8.595 8.993 -5.454 143 HA LYS 17 HA LYS 17 -7.654 10.169 -7.939 144 HB2 LYS 17 1HB LYS 17 -8.961 7.534 -7.272 145 HB3 LYS 17 2HB LYS 17 -8.675 8.052 -8.928 146 HG2 LYS 17 1HG LYS 17 -6.258 8.248 -8.380 147 HG3 LYS 17 2HG LYS 17 -6.613 7.544 -6.801 148 HD2 LYS 17 1HD LYS 17 -7.366 5.505 -7.805 149 HD3 LYS 17 2HD LYS 17 -7.278 6.211 -9.421 150 HE2 LYS 17 1HE LYS 17 -4.846 6.457 -9.156 151 HE3 LYS 17 2HE LYS 17 -4.955 5.696 -7.570 152 HZ1 LYS 17 3HZ LYS 17 -5.677 3.667 -8.570 153 HZ2 LYS 17 1HZ LYS 17 -4.276 4.176 -9.375 154 HZ3 LYS 17 2HZ LYS 17 -5.787 4.387 -10.106 155 HA PRO 18 HA PRO 18 -11.361 12.157 -9.274 156 HB2 PRO 18 1HB PRO 18 -11.008 10.568 -11.778 157 HB3 PRO 18 2HB PRO 18 -11.262 12.307 -11.573 158 HG2 PRO 18 1HG PRO 18 -8.851 11.344 -12.155 159 HG3 PRO 18 2HG PRO 18 -9.043 12.697 -11.024 160 HD2 PRO 18 1HD PRO 18 -8.428 9.834 -10.470 161 HD3 PRO 18 2HD PRO 18 -7.877 11.292 -9.622 162 H VAL 19 H VAL 19 -13.287 11.591 -8.586 163 HA VAL 19 HA VAL 19 -14.096 8.924 -8.192 164 HB VAL 19 HB VAL 19 -15.849 11.386 -8.209 165 HG11 VAL 19 1HG1 VAL 19 -17.112 9.303 -8.239 166 HG12 VAL 19 2HG1 VAL 19 -17.265 10.105 -6.676 167 HG13 VAL 19 3HG1 VAL 19 -16.195 8.715 -6.852 168 HG21 VAL 19 3HG2 VAL 19 -13.964 11.730 -6.727 169 HG22 VAL 19 1HG2 VAL 19 -14.246 10.165 -5.964 170 HG23 VAL 19 2HG2 VAL 19 -15.428 11.460 -5.781 171 H ASN 20 H ASN 20 -14.542 7.575 -9.785 172 HA ASN 20 HA ASN 20 -15.781 8.506 -12.242 173 HB2 ASN 20 1HB ASN 20 -14.585 5.900 -11.355 174 HB3 ASN 20 2HB ASN 20 -15.641 5.949 -12.763 175 HD21 ASN 20 2HD2 ASN 20 -12.586 6.965 -11.430 176 HD22 ASN 20 1HD2 ASN 20 -11.871 7.438 -12.928 177 H ASP 21 H ASP 21 -16.796 7.527 -9.244 178 HA ASP 21 HA ASP 21 -19.267 6.284 -10.003 179 HB2 ASP 21 1HB ASP 21 -18.559 7.700 -7.412 180 HB3 ASP 21 2HB ASP 21 -19.936 6.635 -7.668 181 H ARG 22 H ARG 22 -20.475 7.458 -11.357 182 HA ARG 22 HA ARG 22 -20.205 10.259 -11.565 183 HB2 ARG 22 1HB ARG 22 -21.843 8.179 -12.923 184 HB3 ARG 22 2HB ARG 22 -22.285 9.870 -13.140 185 HG2 ARG 22 1HG ARG 22 -20.294 10.394 -14.197 186 HG3 ARG 22 2HG ARG 22 -19.455 8.996 -13.529 187 HD2 ARG 22 1HD ARG 22 -21.725 8.723 -15.475 188 HD3 ARG 22 2HD ARG 22 -20.057 8.935 -16.004 189 HE ARG 22 HE ARG 22 -21.068 6.646 -14.443 190 HH11 ARG 22 1HH1 ARG 22 -18.723 8.082 -16.622 191 HH12 ARG 22 2HH1 ARG 22 -17.879 6.583 -16.898 192 HH21 ARG 22 1HH2 ARG 22 -19.962 4.687 -14.793 193 HH22 ARG 22 2HH2 ARG 22 -18.590 4.648 -15.866 194 H ARG 23 H ARG 23 -21.296 11.889 -10.852 195 HA ARG 23 HA ARG 23 -23.025 11.617 -8.620 196 HB2 ARG 23 1HB ARG 23 -22.473 14.073 -10.296 197 HB3 ARG 23 2HB ARG 23 -23.131 14.049 -8.668 198 HG2 ARG 23 1HG ARG 23 -21.054 13.297 -7.763 199 HG3 ARG 23 2HG ARG 23 -20.385 13.046 -9.379 200 HD2 ARG 23 1HD ARG 23 -20.584 15.454 -9.819 201 HD3 ARG 23 2HD ARG 23 -21.224 15.692 -8.196 202 HE ARG 23 HE ARG 23 -18.914 14.591 -7.584 203 HH11 ARG 23 1HH1 ARG 23 -19.590 16.998 -10.043 204 HH12 ARG 23 2HH1 ARG 23 -18.028 17.747 -9.934 205 HH21 ARG 23 1HH2 ARG 23 -16.871 15.585 -7.413 206 HH22 ARG 23 2HH2 ARG 23 -16.485 16.955 -8.406 207 H SER 24 H SER 24 -25.176 12.576 -8.451 208 HA SER 24 HA SER 24 -26.827 12.049 -10.768 209 HB2 SER 24 1HB SER 24 -27.631 13.101 -8.041 210 HB3 SER 24 2HB SER 24 -28.700 12.410 -9.262 211 HG SER 24 HG SER 24 -26.901 10.582 -8.891 212 H ARG 25 H ARG 25 -27.220 13.562 -12.251 213 HA ARG 25 HA ARG 25 -26.372 16.237 -12.039 214 HB2 ARG 25 1HB ARG 25 -28.441 15.066 -13.911 215 HB3 ARG 25 2HB ARG 25 -27.645 16.620 -14.111 216 HG2 ARG 25 1HG ARG 25 -25.489 15.478 -14.345 217 HG3 ARG 25 2HG ARG 25 -26.306 13.923 -14.171 218 HD2 ARG 25 1HD ARG 25 -26.678 15.951 -16.371 219 HD3 ARG 25 2HD ARG 25 -25.960 14.345 -16.509 220 HE ARG 25 HE ARG 25 -28.472 13.870 -15.567 221 HH11 ARG 25 1HH1 ARG 25 -27.162 15.507 -18.376 222 HH12 ARG 25 2HH1 ARG 25 -28.589 15.253 -19.341 223 HH21 ARG 25 1HH2 ARG 25 -30.329 13.538 -16.814 224 HH22 ARG 25 2HH2 ARG 25 -30.402 14.147 -18.442 225 H GLN 26 H GLN 26 -29.582 14.778 -11.751 226 HA GLN 26 HA GLN 26 -30.625 17.314 -10.719 227 HB2 GLN 26 1HB GLN 26 -32.113 14.767 -11.399 228 HB3 GLN 26 2HB GLN 26 -32.835 16.318 -10.982 229 HG2 GLN 26 1HG GLN 26 -31.801 17.305 -12.988 230 HG3 GLN 26 2HG GLN 26 -31.172 15.718 -13.419 231 HE21 GLN 26 2HE2 GLN 26 -32.951 17.439 -14.897 232 HE22 GLN 26 1HE2 GLN 26 -34.397 16.528 -15.172 233 H GLN 27 H GLN 27 -31.575 17.431 -8.650 234 HA GLN 27 HA GLN 27 -30.084 15.807 -6.808 235 HB2 GLN 27 1HB GLN 27 -30.323 18.235 -6.492 236 HB3 GLN 27 2HB GLN 27 -32.049 18.022 -6.235 237 HG2 GLN 27 1HG GLN 27 -31.652 16.750 -4.238 238 HG3 GLN 27 2HG GLN 27 -29.913 16.771 -4.526 239 HE21 GLN 27 2HE2 GLN 27 -29.467 17.757 -2.585 240 HE22 GLN 27 1HE2 GLN 27 -29.832 19.419 -2.276 241 H GLU 28 H GLU 28 -30.968 13.767 -6.972 242 HA GLU 28 HA GLU 28 -33.625 13.364 -5.839 243 HB2 GLU 28 1HB GLU 28 -31.515 11.398 -6.763 244 HB3 GLU 28 2HB GLU 28 -33.095 10.946 -6.140 245 HG2 GLU 28 1HG GLU 28 -34.174 12.070 -8.000 246 HG3 GLU 28 2HG GLU 28 -32.603 12.583 -8.616 247 H VAL 29 H VAL 29 -33.545 11.450 -4.089 248 HA VAL 29 HA VAL 29 -31.978 12.458 -1.904 249 HB VAL 29 HB VAL 29 -33.644 9.936 -2.032 250 HG11 VAL 29 1HG1 VAL 29 -32.012 9.882 -0.222 251 HG12 VAL 29 2HG1 VAL 29 -33.646 10.071 0.416 252 HG13 VAL 29 3HG1 VAL 29 -32.565 11.461 0.338 253 HG21 VAL 29 3HG2 VAL 29 -35.374 11.248 -0.896 254 HG22 VAL 29 1HG2 VAL 29 -34.985 11.926 -2.478 255 HG23 VAL 29 2HG2 VAL 29 -34.360 12.687 -1.014 256 H SER 30 H SER 30 -32.146 9.329 -3.547 257 HA SER 30 HA SER 30 -30.649 7.674 -3.895 258 HB2 SER 30 1HB SER 30 -28.697 9.988 -3.954 259 HB3 SER 30 2HB SER 30 -28.375 8.365 -4.565 260 HG SER 30 HG SER 30 -29.097 9.967 -6.158 261 HA PRO 31 HA PRO 31 -29.482 7.525 0.555 262 HB2 PRO 31 1HB PRO 31 -30.686 5.193 1.130 263 HB3 PRO 31 2HB PRO 31 -31.593 6.707 1.016 264 HG2 PRO 31 1HG PRO 31 -31.300 4.519 -1.007 265 HG3 PRO 31 2HG PRO 31 -32.757 5.408 -0.526 266 HD2 PRO 31 1HD PRO 31 -31.312 5.985 -2.770 267 HD3 PRO 31 2HD PRO 31 -32.264 7.191 -1.882 268 H ALA 32 H ALA 32 -27.868 6.660 -1.775 269 HA ALA 32 HA ALA 32 -26.803 4.067 -1.028 270 HB1 ALA 32 3HB ALA 32 -26.962 4.676 -3.393 271 HB2 ALA 32 1HB ALA 32 -25.289 4.382 -2.920 272 HB3 ALA 32 2HB ALA 32 -25.870 6.035 -3.119 273 H GLY 33 H GLY 33 -26.046 7.454 -0.682 274 HA2 GLY 33 1HA GLY 33 -24.708 8.376 1.003 275 HA3 GLY 33 2HA GLY 33 -24.016 6.787 1.292 276 H THR 34 H THR 34 -21.884 7.272 1.159 277 HA THR 34 HA THR 34 -20.860 7.825 -1.500 278 HB THR 34 HB THR 34 -20.056 9.543 0.863 279 HG1 THR 34 HG1 THR 34 -22.024 9.805 -0.991 280 HG21 THR 34 3HG2 THR 34 -18.716 10.780 -0.775 281 HG22 THR 34 1HG2 THR 34 -19.182 9.630 -2.029 282 HG23 THR 34 2HG2 THR 34 -18.195 9.098 -0.667 283 H SER 35 H SER 35 -19.504 6.195 -1.816 284 HA SER 35 HA SER 35 -18.247 4.797 0.333 285 HB2 SER 35 1HB SER 35 -17.057 3.646 -1.662 286 HB3 SER 35 2HB SER 35 -18.802 3.438 -1.499 287 HG SER 35 HG SER 35 -17.563 5.414 -3.135 288 H MET 36 H MET 36 -16.894 6.166 1.430 289 HA MET 36 HA MET 36 -14.951 7.816 0.155 290 HB2 MET 36 1HB MET 36 -15.118 6.829 3.010 291 HB3 MET 36 2HB MET 36 -13.991 8.050 2.437 292 HG2 MET 36 1HG MET 36 -15.854 9.504 1.848 293 HG3 MET 36 2HG MET 36 -16.991 8.277 2.404 294 HE1 MET 36 3HE MET 36 -17.160 7.473 4.941 295 HE2 MET 36 1HE MET 36 -16.167 8.128 6.242 296 HE3 MET 36 2HE MET 36 -15.427 7.155 4.972 297 H ARG 37 H ARG 37 -13.231 7.082 -0.891 298 HA ARG 37 HA ARG 37 -11.889 4.674 0.146 299 HB2 ARG 37 1HB ARG 37 -11.935 5.520 -2.753 300 HB3 ARG 37 2HB ARG 37 -11.342 4.004 -2.087 301 HG2 ARG 37 1HG ARG 37 -13.630 3.402 -1.450 302 HG3 ARG 37 2HG ARG 37 -14.213 4.910 -2.157 303 HD2 ARG 37 1HD ARG 37 -12.966 2.553 -3.543 304 HD3 ARG 37 2HD ARG 37 -14.566 3.248 -3.795 305 HE ARG 37 HE ARG 37 -12.037 4.539 -4.600 306 HH11 ARG 37 1HH1 ARG 37 -15.464 3.960 -5.045 307 HH12 ARG 37 2HH1 ARG 37 -15.566 4.902 -6.498 308 HH21 ARG 37 1HH2 ARG 37 -12.155 5.753 -6.521 309 HH22 ARG 37 2HH2 ARG 37 -13.671 5.897 -7.358 310 H TYR 38 H TYR 38 -10.170 5.500 1.202 311 HA TYR 38 HA TYR 38 -8.605 7.636 -0.020 312 HB2 TYR 38 1HB TYR 38 -8.172 6.135 2.577 313 HB3 TYR 38 2HB TYR 38 -7.257 7.537 2.038 314 HD1 TYR 38 HD1 TYR 38 -8.690 9.687 1.561 315 HD2 TYR 38 HD2 TYR 38 -9.963 6.446 4.003 316 HE1 TYR 38 HE1 TYR 38 -10.279 11.177 2.699 317 HE2 TYR 38 HE2 TYR 38 -11.560 7.925 5.149 318 HH TYR 38 HH TYR 38 -11.849 10.318 5.594 319 H GLU 39 H GLU 39 -7.135 7.039 -1.525 320 HA GLU 39 HA GLU 39 -6.160 4.280 -1.346 321 HB2 GLU 39 1HB GLU 39 -6.345 6.140 -3.726 322 HB3 GLU 39 2HB GLU 39 -5.610 4.543 -3.766 323 HG2 GLU 39 1HG GLU 39 -7.776 3.579 -3.046 324 HG3 GLU 39 2HG GLU 39 -8.486 5.184 -3.175 325 H ALA 40 H ALA 40 -3.932 3.863 -1.613 326 HA ALA 40 HA ALA 40 -2.336 6.206 -0.809 327 HB1 ALA 40 3HB ALA 40 -1.053 4.735 0.655 328 HB2 ALA 40 1HB ALA 40 -2.067 3.372 0.180 329 HB3 ALA 40 2HB ALA 40 -2.766 4.720 1.076 330 H SER 41 H SER 41 -0.211 6.296 -1.419 331 HA SER 41 HA SER 41 0.326 4.913 -3.926 332 HB2 SER 41 1HB SER 41 0.451 7.428 -3.706 333 HB3 SER 41 2HB SER 41 1.854 7.199 -2.664 334 HG SER 41 HG SER 41 2.949 7.149 -4.446 335 H PHE 42 H PHE 42 1.415 3.080 -3.777 336 HA PHE 42 HA PHE 42 3.493 2.810 -1.713 337 HB2 PHE 42 1HB PHE 42 2.011 0.702 -3.302 338 HB3 PHE 42 2HB PHE 42 3.317 0.362 -2.172 339 HD1 PHE 42 HD1 PHE 42 -0.164 1.465 -2.499 340 HD2 PHE 42 HD2 PHE 42 2.966 0.444 0.194 341 HE1 PHE 42 HE1 PHE 42 -1.795 1.337 -0.662 342 HE2 PHE 42 HE2 PHE 42 1.344 0.313 2.037 343 HZ PHE 42 HZ PHE 42 -1.042 0.758 1.610 344 H LYS 43 H LYS 43 5.412 3.386 -2.484 345 HA LYS 43 HA LYS 43 6.044 2.886 -5.294 346 HB2 LYS 43 1HB LYS 43 6.547 5.116 -4.567 347 HB3 LYS 43 2HB LYS 43 7.432 4.520 -3.168 348 HG2 LYS 43 1HG LYS 43 9.088 3.504 -4.691 349 HG3 LYS 43 2HG LYS 43 8.229 4.218 -6.054 350 HD2 LYS 43 1HD LYS 43 8.700 6.436 -5.253 351 HD3 LYS 43 2HD LYS 43 9.413 5.790 -3.772 352 HE2 LYS 43 1HE LYS 43 11.114 6.477 -5.419 353 HE3 LYS 43 2HE LYS 43 11.197 4.760 -5.032 354 HZ1 LYS 43 3HZ LYS 43 11.420 5.120 -7.398 355 HZ2 LYS 43 1HZ LYS 43 9.934 5.936 -7.452 356 HZ3 LYS 43 2HZ LYS 43 9.985 4.287 -7.077 357 HA PRO 44 HA PRO 44 8.525 -0.698 -4.149 358 HB2 PRO 44 1HB PRO 44 9.412 -0.429 -6.954 359 HB3 PRO 44 2HB PRO 44 8.667 -1.808 -6.141 360 HG2 PRO 44 1HG PRO 44 7.313 -0.355 -7.936 361 HG3 PRO 44 2HG PRO 44 6.518 -1.032 -6.501 362 HD2 PRO 44 1HD PRO 44 7.456 1.770 -7.006 363 HD3 PRO 44 2HD PRO 44 5.957 1.203 -6.235 364 H LEU 45 H LEU 45 10.549 -0.741 -3.383 365 HA LEU 45 HA LEU 45 12.119 1.586 -3.291 366 HB2 LEU 45 1HB LEU 45 12.777 -1.277 -2.619 367 HB3 LEU 45 2HB LEU 45 13.830 0.076 -2.255 368 HG LEU 45 HG LEU 45 11.010 -0.051 -1.216 369 HD11 LEU 45 1HD1 LEU 45 13.510 -1.109 0.096 370 HD12 LEU 45 2HD1 LEU 45 12.150 -2.073 -0.484 371 HD13 LEU 45 3HD1 LEU 45 11.930 -0.953 0.861 372 HD21 LEU 45 3HD2 LEU 45 13.491 1.403 -0.301 373 HD22 LEU 45 1HD2 LEU 45 11.903 1.483 0.462 374 HD23 LEU 45 2HD2 LEU 45 12.132 2.119 -1.167 375 H ASN 46 H ASN 46 12.870 -1.529 -4.864 376 HA ASN 46 HA ASN 46 15.023 -0.177 -6.308 377 HB2 ASN 46 1HB ASN 46 15.667 -2.161 -5.035 378 HB3 ASN 46 2HB ASN 46 14.483 -3.127 -5.911 379 HD21 ASN 46 2HD2 ASN 46 16.072 -4.536 -6.646 380 HD22 ASN 46 1HD2 ASN 46 17.186 -4.083 -7.895 381 H GLY 47 H GLY 47 13.772 0.841 -7.896 382 HA2 GLY 47 1HA GLY 47 13.187 0.953 -10.122 383 HA3 GLY 47 2HA GLY 47 13.442 -0.780 -10.234 384 H GLY 48 H GLY 48 11.126 1.754 -9.761 385 HA2 GLY 48 1HA GLY 48 8.993 0.343 -10.775 386 HA3 GLY 48 2HA GLY 48 8.947 0.055 -9.043 387 H LEU 49 H LEU 49 7.204 1.548 -10.986 388 HA LEU 49 HA LEU 49 7.245 4.237 -9.884 389 HB2 LEU 49 1HB LEU 49 6.718 3.835 -12.276 390 HB3 LEU 49 2HB LEU 49 5.296 2.930 -11.793 391 HG LEU 49 HG LEU 49 4.363 4.981 -10.769 392 HD11 LEU 49 1HD1 LEU 49 5.395 7.143 -11.267 393 HD12 LEU 49 2HD1 LEU 49 6.773 6.318 -11.996 394 HD13 LEU 49 3HD1 LEU 49 6.447 6.137 -10.273 395 HD21 LEU 49 3HD2 LEU 49 3.834 6.113 -12.872 396 HD22 LEU 49 1HD2 LEU 49 3.758 4.360 -13.045 397 HD23 LEU 49 2HD2 LEU 49 5.148 5.247 -13.668 398 H GLU 50 H GLU 50 5.378 5.120 -8.798 399 HA GLU 50 HA GLU 50 4.575 3.595 -6.605 400 HB2 GLU 50 1HB GLU 50 3.246 6.068 -7.713 401 HB3 GLU 50 2HB GLU 50 3.086 5.452 -6.077 402 HG2 GLU 50 1HG GLU 50 5.476 5.860 -5.707 403 HG3 GLU 50 2HG GLU 50 5.601 6.520 -7.338 404 H LYS 51 H LYS 51 3.003 2.147 -6.311 405 HA LYS 51 HA LYS 51 0.823 2.008 -8.280 406 HB2 LYS 51 1HB LYS 51 1.694 0.007 -6.183 407 HB3 LYS 51 2HB LYS 51 0.311 -0.201 -7.246 408 HG2 LYS 51 1HG LYS 51 1.928 -0.011 -9.179 409 HG3 LYS 51 2HG LYS 51 3.221 -0.142 -7.984 410 HD2 LYS 51 1HD LYS 51 2.260 -2.285 -7.221 411 HD3 LYS 51 2HD LYS 51 1.030 -2.159 -8.479 412 HE2 LYS 51 1HE LYS 51 4.010 -2.395 -8.880 413 HE3 LYS 51 2HE LYS 51 2.803 -3.637 -9.202 414 HZ1 LYS 51 3HZ LYS 51 1.823 -1.975 -10.830 415 HZ2 LYS 51 1HZ LYS 51 3.296 -2.690 -11.268 416 HZ3 LYS 51 2HZ LYS 51 3.267 -1.106 -10.665 417 H THR 52 H THR 52 -1.337 2.131 -7.610 418 HA THR 52 HA THR 52 -1.648 3.390 -4.969 419 HB THR 52 HB THR 52 -3.593 3.673 -7.250 420 HG1 THR 52 HG1 THR 52 -1.053 4.638 -7.076 421 HG21 THR 52 3HG2 THR 52 -4.185 5.739 -6.100 422 HG22 THR 52 1HG2 THR 52 -2.925 5.448 -4.900 423 HG23 THR 52 2HG2 THR 52 -4.310 4.364 -5.003 424 H PHE 53 H PHE 53 -2.628 2.178 -3.485 425 HA PHE 53 HA PHE 53 -4.623 0.203 -4.389 426 HB2 PHE 53 1HB PHE 53 -2.746 0.086 -2.022 427 HB3 PHE 53 2HB PHE 53 -4.071 -1.045 -2.278 428 HD1 PHE 53 HD2 PHE 53 -4.059 -2.454 -4.377 429 HD2 PHE 53 HD1 PHE 53 -0.671 -0.238 -3.064 430 HE1 PHE 53 HE2 PHE 53 -2.601 -3.854 -5.780 431 HE2 PHE 53 HE1 PHE 53 0.789 -1.633 -4.467 432 HZ PHE 53 HZ PHE 53 -0.174 -3.445 -5.825 433 H ARG 54 H ARG 54 -6.479 -0.097 -3.094 434 HA ARG 54 HA ARG 54 -7.451 2.412 -2.051 435 HB2 ARG 54 1HB ARG 54 -8.805 1.013 -3.578 436 HB3 ARG 54 2HB ARG 54 -8.850 -0.251 -2.359 437 HG2 ARG 54 1HG ARG 54 -9.995 1.368 -0.839 438 HG3 ARG 54 2HG ARG 54 -10.095 2.482 -2.204 439 HD2 ARG 54 1HD ARG 54 -11.294 -0.278 -2.032 440 HD3 ARG 54 2HD ARG 54 -12.168 1.250 -1.985 441 HE ARG 54 HE ARG 54 -10.816 1.324 -4.359 442 HH11 ARG 54 1HH1 ARG 54 -13.117 -0.875 -2.876 443 HH12 ARG 54 2HH1 ARG 54 -13.709 -1.480 -4.401 444 HH21 ARG 54 1HH2 ARG 54 -11.621 0.567 -6.348 445 HH22 ARG 54 2HH2 ARG 54 -12.869 -0.643 -6.373 446 H LEU 55 H LEU 55 -7.737 2.940 0.032 447 HA LEU 55 HA LEU 55 -7.696 0.817 2.066 448 HB2 LEU 55 1HB LEU 55 -6.130 3.396 2.056 449 HB3 LEU 55 2HB LEU 55 -6.379 2.432 3.503 450 HG LEU 55 HG LEU 55 -4.934 1.506 1.014 451 HD11 LEU 55 1HD1 LEU 55 -2.928 1.621 2.401 452 HD12 LEU 55 2HD1 LEU 55 -3.880 2.286 3.728 453 HD13 LEU 55 3HD1 LEU 55 -3.685 3.205 2.236 454 HD21 LEU 55 3HD2 LEU 55 -5.316 0.173 3.693 455 HD22 LEU 55 1HD2 LEU 55 -4.291 -0.422 2.386 456 HD23 LEU 55 2HD2 LEU 55 -6.038 -0.332 2.165 457 H GLN 56 H GLN 56 -9.111 1.100 3.738 458 HA GLN 56 HA GLN 56 -10.456 3.707 3.921 459 HB2 GLN 56 1HB GLN 56 -11.560 0.936 4.250 460 HB3 GLN 56 2HB GLN 56 -12.354 2.317 4.997 461 HG2 GLN 56 1HG GLN 56 -12.447 3.395 2.761 462 HG3 GLN 56 2HG GLN 56 -11.822 1.899 2.070 463 HE21 GLN 56 2HE2 GLN 56 -14.371 3.349 1.732 464 HE22 GLN 56 1HE2 GLN 56 -15.609 2.180 2.062 465 H ALA 57 H ALA 57 -11.759 3.213 6.399 466 HA ALA 57 HA ALA 57 -10.052 4.553 8.018 467 HB1 ALA 57 3HB ALA 57 -12.452 4.314 8.418 468 HB2 ALA 57 1HB ALA 57 -11.502 4.022 9.876 469 HB3 ALA 57 2HB ALA 57 -12.187 2.664 8.981 470 H GLN 58 H GLN 58 -10.837 1.180 8.941 471 HA GLN 58 HA GLN 58 -8.560 1.105 10.651 472 HB2 GLN 58 1HB GLN 58 -10.373 -1.138 9.758 473 HB3 GLN 58 2HB GLN 58 -9.166 -1.263 11.031 474 HG2 GLN 58 1HG GLN 58 -10.398 0.632 12.180 475 HG3 GLN 58 2HG GLN 58 -11.691 0.354 11.013 476 HE21 GLN 58 2HE2 GLN 58 -11.725 0.045 13.901 477 HE22 GLN 58 1HE2 GLN 58 -12.154 -1.608 14.212 478 H GLN 59 H GLN 59 -9.041 0.320 7.353 479 HA GLN 59 HA GLN 59 -6.935 -1.582 7.087 480 HB2 GLN 59 1HB GLN 59 -8.190 0.189 4.984 481 HB3 GLN 59 2HB GLN 59 -7.209 -1.238 4.681 482 HG2 GLN 59 1HG GLN 59 -8.885 -2.652 5.686 483 HG3 GLN 59 2HG GLN 59 -9.847 -1.244 6.130 484 HE21 GLN 59 2HE2 GLN 59 -10.556 -3.528 4.478 485 HE22 GLN 59 1HE2 GLN 59 -11.014 -2.885 2.942 486 H TYR 60 H TYR 60 -7.218 1.895 6.475 487 HA TYR 60 HA TYR 60 -4.463 2.213 5.746 488 HB2 TYR 60 1HB TYR 60 -6.097 3.750 4.852 489 HB3 TYR 60 2HB TYR 60 -6.635 4.195 6.467 490 HD1 TYR 60 HD2 TYR 60 -3.728 4.383 4.156 491 HD2 TYR 60 HD1 TYR 60 -5.635 5.982 7.608 492 HE1 TYR 60 HE2 TYR 60 -2.119 6.242 4.179 493 HE2 TYR 60 HE1 TYR 60 -4.032 7.845 7.638 494 HH TYR 60 HH TYR 60 -1.999 8.561 5.044 495 H HIS 61 H HIS 61 -6.264 2.154 8.665 496 HA HIS 61 HA HIS 61 -4.469 3.655 10.288 497 HB2 HIS 61 1HB HIS 61 -6.870 3.280 10.820 498 HB3 HIS 61 2HB HIS 61 -6.514 1.582 11.111 499 HD1 HIS 61 HD1 HIS 61 -5.461 0.955 13.340 500 HD2 HIS 61 HD2 HIS 61 -5.901 5.061 12.806 501 HE1 HIS 61 HE1 HIS 61 -5.039 1.989 15.599 502 HE2 HIS 61 HE2 HIS 61 -5.124 4.477 15.208 503 H ALA 62 H ALA 62 -4.350 0.525 8.977 504 HA ALA 62 HA ALA 62 -2.883 -0.710 11.123 505 HB1 ALA 62 3HB ALA 62 -2.740 -2.640 9.652 506 HB2 ALA 62 1HB ALA 62 -3.367 -1.681 8.313 507 HB3 ALA 62 2HB ALA 62 -4.389 -2.018 9.710 508 H LEU 63 H LEU 63 -2.019 1.476 8.762 509 HA LEU 63 HA LEU 63 0.790 0.821 9.147 510 HB2 LEU 63 1HB LEU 63 1.375 0.991 6.820 511 HB3 LEU 63 2HB LEU 63 0.183 -0.272 7.024 512 HG LEU 63 HG LEU 63 -0.525 2.501 6.056 513 HD11 LEU 63 1HD1 LEU 63 0.064 0.035 4.424 514 HD12 LEU 63 2HD1 LEU 63 1.088 1.468 4.529 515 HD13 LEU 63 3HD1 LEU 63 -0.516 1.581 3.805 516 HD21 LEU 63 3HD2 LEU 63 -2.386 1.194 6.951 517 HD22 LEU 63 1HD2 LEU 63 -1.968 -0.144 5.882 518 HD23 LEU 63 2HD2 LEU 63 -2.526 1.386 5.204 519 H THR 64 H THR 64 2.215 2.626 8.367 520 HA THR 64 HA THR 64 0.819 5.207 8.646 521 HB THR 64 HB THR 64 3.572 4.574 9.734 522 HG1 THR 64 HG1 THR 64 1.822 3.475 10.849 523 HG21 THR 64 3HG2 THR 64 1.736 6.942 10.142 524 HG22 THR 64 1HG2 THR 64 3.231 6.935 9.204 525 HG23 THR 64 2HG2 THR 64 3.284 6.696 10.952 526 H VAL 65 H VAL 65 1.520 6.879 7.331 527 HA VAL 65 HA VAL 65 2.884 6.304 4.947 528 HB VAL 65 HB VAL 65 2.270 8.928 6.307 529 HG11 VAL 65 1HG1 VAL 65 3.473 8.513 3.569 530 HG12 VAL 65 2HG1 VAL 65 4.285 9.236 4.957 531 HG13 VAL 65 3HG1 VAL 65 2.904 10.048 4.223 532 HG21 VAL 65 3HG2 VAL 65 0.633 9.128 4.498 533 HG22 VAL 65 1HG2 VAL 65 0.371 7.666 5.450 534 HG23 VAL 65 2HG2 VAL 65 1.144 7.562 3.867 535 H GLY 66 H GLY 66 4.961 6.117 4.493 536 HA2 GLY 66 1HA GLY 66 7.254 6.741 4.668 537 HA3 GLY 66 2HA GLY 66 6.943 7.306 6.305 538 H ASP 67 H ASP 67 5.317 4.677 6.619 539 HA ASP 67 HA ASP 67 7.544 3.206 7.716 540 HB2 ASP 67 1HB ASP 67 5.370 3.299 8.914 541 HB3 ASP 67 2HB ASP 67 4.626 2.400 7.596 542 H GLN 68 H GLN 68 8.769 2.590 6.006 543 HA GLN 68 HA GLN 68 7.869 1.204 3.729 544 HB2 GLN 68 1HB GLN 68 10.541 0.932 5.126 545 HB3 GLN 68 2HB GLN 68 10.192 0.495 3.460 546 HG2 GLN 68 1HG GLN 68 9.787 2.822 2.910 547 HG3 GLN 68 2HG GLN 68 10.062 3.284 4.588 548 HE21 GLN 68 2HE2 GLN 68 11.461 4.142 2.183 549 HE22 GLN 68 1HE2 GLN 68 13.123 3.731 2.417 550 H GLY 69 H GLY 69 7.398 -0.939 3.389 551 HA2 GLY 69 1HA GLY 69 8.005 -2.926 5.389 552 HA3 GLY 69 2HA GLY 69 6.315 -2.444 5.366 553 H THR 70 H THR 70 6.481 -4.929 4.926 554 HA THR 70 HA THR 70 7.274 -5.614 2.222 555 HB THR 70 HB THR 70 6.042 -7.412 4.316 556 HG1 THR 70 HG1 THR 70 8.038 -7.692 5.137 557 HG21 THR 70 3HG2 THR 70 7.794 -8.008 1.927 558 HG22 THR 70 1HG2 THR 70 6.063 -8.326 2.040 559 HG23 THR 70 2HG2 THR 70 7.190 -9.193 3.084 560 H LEU 71 H LEU 71 5.942 -5.963 0.543 561 HA LEU 71 HA LEU 71 3.043 -5.921 1.062 562 HB2 LEU 71 1HB LEU 71 3.759 -3.922 -0.107 563 HB3 LEU 71 2HB LEU 71 4.609 -4.881 -1.302 564 HG LEU 71 HG LEU 71 2.449 -5.781 -2.094 565 HD11 LEU 71 1HD1 LEU 71 1.258 -3.825 -0.135 566 HD12 LEU 71 2HD1 LEU 71 1.182 -5.585 -0.026 567 HD13 LEU 71 3HD1 LEU 71 0.367 -4.747 -1.347 568 HD21 LEU 71 3HD2 LEU 71 3.422 -3.842 -3.189 569 HD22 LEU 71 1HD2 LEU 71 2.630 -2.772 -2.032 570 HD23 LEU 71 2HD2 LEU 71 1.664 -3.719 -3.162 571 H SER 72 H SER 72 1.982 -7.693 0.543 572 HA SER 72 HA SER 72 3.276 -9.674 -1.201 573 HB2 SER 72 1HB SER 72 0.986 -10.055 0.746 574 HB3 SER 72 2HB SER 72 1.861 -11.325 -0.110 575 HG SER 72 HG SER 72 3.365 -9.565 1.430 576 H TYR 73 H TYR 73 2.446 -9.978 -3.187 577 HA TYR 73 HA TYR 73 -0.355 -9.405 -3.695 578 HB2 TYR 73 1HB TYR 73 0.159 -7.824 -5.536 579 HB3 TYR 73 2HB TYR 73 0.635 -7.200 -3.961 580 HD1 TYR 73 HD1 TYR 73 3.000 -6.977 -3.374 581 HD2 TYR 73 HD2 TYR 73 1.814 -8.372 -7.217 582 HE1 TYR 73 HE1 TYR 73 5.279 -6.594 -4.212 583 HE2 TYR 73 HE2 TYR 73 4.091 -7.995 -8.062 584 HH TYR 73 HH TYR 73 6.722 -7.496 -6.053 585 H LYS 74 H LYS 74 -1.038 -10.039 -5.812 586 HA LYS 74 HA LYS 74 0.833 -11.808 -7.233 587 HB2 LYS 74 1HB LYS 74 -2.121 -12.201 -6.725 588 HB3 LYS 74 2HB LYS 74 -1.231 -13.102 -7.943 589 HG2 LYS 74 1HG LYS 74 0.243 -13.983 -6.186 590 HG3 LYS 74 2HG LYS 74 -0.710 -13.116 -4.979 591 HD2 LYS 74 1HD LYS 74 -2.667 -14.409 -5.529 592 HD3 LYS 74 2HD LYS 74 -1.820 -15.190 -6.866 593 HE2 LYS 74 1HE LYS 74 -0.267 -16.220 -5.292 594 HE3 LYS 74 2HE LYS 74 -1.079 -15.417 -3.950 595 HZ1 LYS 74 3HZ LYS 74 -2.372 -17.373 -5.777 596 HZ2 LYS 74 1HZ LYS 74 -3.062 -16.670 -4.395 597 HZ3 LYS 74 2HZ LYS 74 -1.758 -17.747 -4.240 598 H GLY 75 H GLY 75 1.411 -10.642 -8.953 599 HA2 GLY 75 1HA GLY 75 1.168 -9.578 -10.994 600 HA3 GLY 75 2HA GLY 75 -0.573 -9.785 -10.848 601 H THR 76 H THR 76 -1.702 -7.986 -10.617 602 HA THR 76 HA THR 76 -0.364 -5.645 -9.426 603 HB THR 76 HB THR 76 -2.187 -4.334 -10.639 604 HG1 THR 76 HG1 THR 76 -3.580 -5.442 -11.784 605 HG21 THR 76 3HG2 THR 76 0.141 -4.378 -11.401 606 HG22 THR 76 1HG2 THR 76 -0.975 -4.350 -12.768 607 HG23 THR 76 2HG2 THR 76 -0.181 -5.856 -12.307 608 H ARG 77 H ARG 77 -2.299 -8.024 -8.507 609 HA ARG 77 HA ARG 77 -4.371 -6.363 -7.284 610 HB2 ARG 77 1HB ARG 77 -5.091 -8.371 -8.522 611 HB3 ARG 77 2HB ARG 77 -4.168 -9.376 -7.411 612 HG2 ARG 77 1HG ARG 77 -5.575 -8.775 -5.583 613 HG3 ARG 77 2HG ARG 77 -6.395 -7.550 -6.550 614 HD2 ARG 77 1HD ARG 77 -7.233 -9.344 -8.033 615 HD3 ARG 77 2HD ARG 77 -6.488 -10.534 -6.963 616 HE ARG 77 HE ARG 77 -7.986 -9.732 -5.198 617 HH11 ARG 77 1HH1 ARG 77 -8.814 -9.022 -8.531 618 HH12 ARG 77 2HH1 ARG 77 -10.495 -8.748 -8.192 619 HH21 ARG 77 1HH2 ARG 77 -10.191 -9.371 -4.753 620 HH22 ARG 77 2HH2 ARG 77 -11.286 -8.961 -6.039 621 H PHE 78 H PHE 78 -4.508 -5.973 -5.204 622 HA PHE 78 HA PHE 78 -2.318 -6.455 -3.465 623 HB2 PHE 78 1HB PHE 78 -3.810 -4.439 -3.434 624 HB3 PHE 78 2HB PHE 78 -5.095 -5.452 -2.796 625 HD1 PHE 78 HD1 PHE 78 -5.041 -6.232 -0.498 626 HD2 PHE 78 HD2 PHE 78 -1.944 -3.771 -2.070 627 HE1 PHE 78 HE1 PHE 78 -4.272 -5.744 1.787 628 HE2 PHE 78 HE2 PHE 78 -1.169 -3.284 0.211 629 HZ PHE 78 HZ PHE 78 -2.331 -4.267 2.143 630 H VAL 79 H VAL 79 -1.960 -8.146 -2.161 631 HA VAL 79 HA VAL 79 -4.210 -9.946 -1.558 632 HB VAL 79 HB VAL 79 -1.241 -10.533 -1.478 633 HG11 VAL 79 1HG1 VAL 79 -3.602 -12.352 -1.001 634 HG12 VAL 79 2HG1 VAL 79 -2.442 -11.809 0.211 635 HG13 VAL 79 3HG1 VAL 79 -1.917 -12.864 -1.101 636 HG21 VAL 79 3HG2 VAL 79 -2.082 -10.314 -3.752 637 HG22 VAL 79 1HG2 VAL 79 -3.378 -11.455 -3.397 638 HG23 VAL 79 2HG2 VAL 79 -1.701 -11.998 -3.389 639 H GLY 80 H GLY 80 -1.270 -8.542 -0.107 640 HA2 GLY 80 1HA GLY 80 -2.655 -7.829 2.282 641 HA3 GLY 80 2HA GLY 80 -1.663 -9.260 2.527 642 H PHE 81 H PHE 81 -1.322 -6.708 3.800 643 HA PHE 81 HA PHE 81 1.358 -6.049 2.779 644 HB2 PHE 81 1HB PHE 81 -0.249 -4.214 2.310 645 HB3 PHE 81 2HB PHE 81 -0.600 -4.107 4.032 646 HD1 PHE 81 HD2 PHE 81 2.086 -3.710 1.516 647 HD2 PHE 81 HD1 PHE 81 0.756 -2.825 5.461 648 HE1 PHE 81 HE2 PHE 81 3.943 -2.121 1.782 649 HE2 PHE 81 HE1 PHE 81 2.613 -1.234 5.731 650 HZ PHE 81 HZ PHE 81 4.209 -0.883 3.891 651 H VAL 82 H VAL 82 2.955 -6.118 4.236 652 HA VAL 82 HA VAL 82 2.206 -6.589 7.047 653 HB VAL 82 HB VAL 82 4.784 -7.373 5.669 654 HG11 VAL 82 1HG1 VAL 82 5.032 -6.992 8.065 655 HG12 VAL 82 2HG1 VAL 82 5.189 -8.706 7.681 656 HG13 VAL 82 3HG1 VAL 82 3.694 -8.094 8.389 657 HG21 VAL 82 3HG2 VAL 82 2.419 -9.094 6.410 658 HG22 VAL 82 1HG2 VAL 82 3.954 -9.674 5.765 659 HG23 VAL 82 2HG2 VAL 82 2.909 -8.654 4.775 660 H SER 83 H SER 83 2.187 -4.527 7.813 661 HA SER 83 HA SER 83 4.280 -2.660 7.207 662 HB2 SER 83 1HB SER 83 3.044 -1.326 9.049 663 HB3 SER 83 2HB SER 83 2.185 -1.651 7.544 664 HG SER 83 HG SER 83 0.909 -2.102 9.404 665 H ARG 84 H ARG 84 5.730 -1.756 8.744 666 HA ARG 84 HA ARG 84 6.734 -3.740 10.596 667 HB2 ARG 84 1HB ARG 84 7.744 -1.091 9.609 668 HB3 ARG 84 2HB ARG 84 8.496 -1.889 10.986 669 HG2 ARG 84 1HG ARG 84 9.190 -3.717 9.693 670 HG3 ARG 84 2HG ARG 84 8.109 -3.293 8.363 671 HD2 ARG 84 1HD ARG 84 10.513 -2.779 7.948 672 HD3 ARG 84 2HD ARG 84 9.432 -1.396 7.794 673 HE ARG 84 HE ARG 84 11.148 -1.897 10.149 674 HH11 ARG 84 1HH1 ARG 84 9.532 0.250 7.905 675 HH12 ARG 84 2HH1 ARG 84 10.216 1.695 8.581 676 HH21 ARG 84 1HH2 ARG 84 12.048 -0.001 11.064 677 HH22 ARG 84 2HH2 ARG 84 11.667 1.552 10.376 678 H THR 85 H THR 85 4.897 -0.809 10.680 679 HA THR 85 HA THR 85 4.559 -1.267 13.563 680 HB THR 85 HB THR 85 4.711 1.468 12.277 681 HG1 THR 85 HG1 THR 85 6.659 -0.087 12.977 682 HG21 THR 85 3HG2 THR 85 4.576 2.307 14.582 683 HG22 THR 85 1HG2 THR 85 4.366 0.657 15.169 684 HG23 THR 85 2HG2 THR 85 3.130 1.393 14.148 685 HA PRO 86 HA PRO 86 0.354 -1.130 11.828 686 HB2 PRO 86 1HB PRO 86 -0.375 -3.567 12.891 687 HB3 PRO 86 2HB PRO 86 0.323 -3.345 11.287 688 HG2 PRO 86 1HG PRO 86 1.492 -4.637 13.572 689 HG3 PRO 86 2HG PRO 86 2.169 -4.459 11.948 690 HD2 PRO 86 1HD PRO 86 2.712 -2.898 14.388 691 HD3 PRO 86 2HD PRO 86 3.697 -3.082 12.921 692 H ASP 87 H ASP 87 -1.796 -1.605 13.089 693 HA ASP 87 HA ASP 87 -1.530 -0.313 15.672 694 HB2 ASP 87 1HB ASP 87 -3.998 -0.178 15.661 695 HB3 ASP 87 2HB ASP 87 -3.266 0.558 14.247 696 H ASN 88 H ASN 88 -1.821 -3.438 14.461 697 HA ASN 88 HA ASN 88 -2.084 -4.494 17.162 698 HB2 ASN 88 1HB ASN 88 -3.910 -5.142 14.860 699 HB3 ASN 88 2HB ASN 88 -3.573 -6.353 16.090 700 HD21 ASN 88 2HD2 ASN 88 -5.032 -3.261 15.428 701 HD22 ASN 88 1HD2 ASN 88 -5.998 -3.189 16.874 702 H GLU 89 H GLU 89 -0.763 -6.201 17.508 703 HA GLU 89 HA GLU 89 1.066 -7.101 15.559 704 HB2 GLU 89 1HB GLU 89 0.176 -8.634 18.009 705 HB3 GLU 89 2HB GLU 89 1.688 -8.821 17.138 706 HG2 GLU 89 1HG GLU 89 2.383 -7.600 18.930 707 HG3 GLU 89 2HG GLU 89 2.018 -6.307 17.789 708 H LEU 90 H LEU 90 -2.126 -8.063 16.459 709 HA LEU 90 HA LEU 90 -2.079 -10.352 14.637 710 HB2 LEU 90 1HB LEU 90 -4.206 -9.410 16.566 711 HB3 LEU 90 2HB LEU 90 -4.291 -10.868 15.597 712 HG LEU 90 HG LEU 90 -2.230 -10.350 17.741 713 HD11 LEU 90 1HD1 LEU 90 -3.472 -11.994 19.050 714 HD12 LEU 90 2HD1 LEU 90 -4.697 -12.081 17.784 715 HD13 LEU 90 3HD1 LEU 90 -4.464 -10.583 18.686 716 HD21 LEU 90 3HD2 LEU 90 -1.451 -11.841 15.968 717 HD22 LEU 90 1HD2 LEU 90 -2.888 -12.840 16.172 718 HD23 LEU 90 2HD2 LEU 90 -1.707 -12.718 17.475 719 H GLU 91 H GLU 91 -4.761 -10.351 13.893 720 HA GLU 91 HA GLU 91 -4.787 -8.119 11.996 721 HB2 GLU 91 1HB GLU 91 -6.396 -10.680 12.055 722 HB3 GLU 91 2HB GLU 91 -6.428 -9.482 10.767 723 HG2 GLU 91 1HG GLU 91 -4.450 -10.149 9.907 724 HG3 GLU 91 2HG GLU 91 -3.788 -10.590 11.481 725 H HIS 92 H HIS 92 -7.337 -7.759 11.351 726 HA HIS 92 HA HIS 92 -8.606 -6.894 13.855 727 HB2 HIS 92 1HB HIS 92 -8.965 -6.060 10.980 728 HB3 HIS 92 2HB HIS 92 -10.165 -5.662 12.204 729 HD1 HIS 92 HD1 HIS 92 -9.867 -3.299 12.847 730 HD2 HIS 92 HD2 HIS 92 -6.216 -5.203 12.250 731 HE1 HIS 92 HE1 HIS 92 -8.108 -1.588 13.403 732 HE2 HIS 92 HE2 HIS 92 -5.905 -2.791 13.151 733 H HIS 93 H HIS 93 -8.496 -9.511 12.092 734 HA HIS 93 HA HIS 93 -11.172 -10.366 12.883 735 HB2 HIS 93 1HB HIS 93 -11.062 -9.726 10.382 736 HB3 HIS 93 2HB HIS 93 -10.020 -11.132 10.195 737 HD1 HIS 93 HD1 HIS 93 -11.190 -13.245 9.662 738 HD2 HIS 93 HD2 HIS 93 -13.706 -10.493 11.504 739 HE1 HIS 93 HE1 HIS 93 -13.482 -14.281 9.612 740 HE2 HIS 93 HE2 HIS 93 -14.959 -12.667 10.864 741 H HIS 94 H HIS 94 -11.143 -12.450 13.711 742 HA HIS 94 HA HIS 94 -8.610 -13.380 14.578 743 HB2 HIS 94 1HB HIS 94 -11.362 -14.597 14.745 744 HB3 HIS 94 2HB HIS 94 -9.938 -15.405 15.392 745 HD1 HIS 94 HD1 HIS 94 -9.188 -14.731 17.683 746 HD2 HIS 94 HD2 HIS 94 -11.936 -12.064 16.054 747 HE1 HIS 94 HE1 HIS 94 -9.773 -13.135 19.540 748 HE2 HIS 94 HE2 HIS 94 -11.466 -11.551 18.543 749 H HIS 95 H HIS 95 -10.932 -14.839 12.297 750 HA HIS 95 HA HIS 95 -8.877 -16.683 11.375 751 HB2 HIS 95 1HB HIS 95 -11.747 -16.248 10.518 752 HB3 HIS 95 2HB HIS 95 -10.678 -17.419 9.759 753 HD1 HIS 95 HD1 HIS 95 -12.278 -19.341 10.487 754 HD2 HIS 95 HD2 HIS 95 -10.595 -17.207 13.638 755 HE1 HIS 95 HE1 HIS 95 -12.740 -20.695 12.549 756 HE2 HIS 95 HE2 HIS 95 -11.503 -19.507 14.394 757 H HIS 96 H HIS 96 -7.889 -16.597 9.348 758 HA HIS 96 HA HIS 96 -7.676 -14.033 8.106 759 HB2 HIS 96 1HB HIS 96 -6.909 -16.684 6.862 760 HB3 HIS 96 2HB HIS 96 -6.274 -15.097 6.460 761 HD1 HIS 96 HD1 HIS 96 -5.166 -13.956 8.927 762 HD2 HIS 96 HD2 HIS 96 -5.074 -18.063 8.217 763 HE1 HIS 96 HE1 HIS 96 -3.303 -14.865 10.352 764 HE2 HIS 96 HE2 HIS 96 -3.169 -17.318 9.790 765 H HIS 97 H HIS 97 -9.169 -17.093 7.202 766 HA HIS 97 HA HIS 97 -11.290 -15.597 5.841 767 HB2 HIS 97 1HB HIS 97 -9.894 -18.071 4.792 768 HB3 HIS 97 2HB HIS 97 -11.440 -17.498 4.180 769 HD1 HIS 97 HD1 HIS 97 -8.186 -17.545 3.086 770 HD2 HIS 97 HD2 HIS 97 -10.911 -14.436 3.591 771 HE1 HIS 97 HE1 HIS 97 -7.382 -15.679 1.596 772 HE2 HIS 97 HE2 HIS 97 -9.011 -13.785 1.965 Start of MODEL 19 1 H1 MET 1 1H MET 1 9.720 -19.007 -9.623 2 H2 MET 1 2H MET 1 8.465 -17.902 -9.338 3 H3 MET 1 3H MET 1 8.111 -19.466 -9.885 4 HA MET 1 HA MET 1 8.960 -20.409 -7.845 5 HB2 MET 1 1HB MET 1 9.348 -17.506 -7.106 6 HB3 MET 1 2HB MET 1 9.361 -18.816 -5.935 7 HG2 MET 1 1HG MET 1 11.266 -19.821 -7.096 8 HG3 MET 1 2HG MET 1 11.261 -18.481 -8.241 9 HE1 MET 1 3HE MET 1 13.835 -19.375 -6.599 10 HE2 MET 1 1HE MET 1 14.477 -17.813 -6.091 11 HE3 MET 1 2HE MET 1 13.839 -18.015 -7.722 12 H ALA 2 H ALA 2 7.238 -17.294 -7.467 13 HA ALA 2 HA ALA 2 4.782 -18.747 -6.872 14 HB1 ALA 2 3HB ALA 2 5.906 -18.608 -4.709 15 HB2 ALA 2 1HB ALA 2 4.458 -17.602 -4.734 16 HB3 ALA 2 2HB ALA 2 6.050 -16.859 -4.888 17 HA PRO 3 HA PRO 3 3.024 -15.212 -8.903 18 HB2 PRO 3 1HB PRO 3 0.512 -15.771 -7.503 19 HB3 PRO 3 2HB PRO 3 0.884 -15.899 -9.223 20 HG2 PRO 3 1HG PRO 3 0.467 -18.067 -7.674 21 HG3 PRO 3 2HG PRO 3 1.587 -18.080 -9.047 22 HD2 PRO 3 1HD PRO 3 2.178 -17.832 -6.121 23 HD3 PRO 3 2HD PRO 3 3.028 -18.772 -7.366 24 H LEU 4 H LEU 4 2.751 -15.647 -5.440 25 HA LEU 4 HA LEU 4 1.931 -12.893 -5.001 26 HB2 LEU 4 1HB LEU 4 1.137 -14.810 -3.562 27 HB3 LEU 4 2HB LEU 4 2.771 -14.932 -2.944 28 HG LEU 4 HG LEU 4 2.554 -12.551 -2.155 29 HD11 LEU 4 1HD1 LEU 4 -0.345 -13.034 -2.821 30 HD12 LEU 4 2HD1 LEU 4 0.724 -11.863 -3.593 31 HD13 LEU 4 3HD1 LEU 4 0.285 -11.672 -1.895 32 HD21 LEU 4 3HD2 LEU 4 0.643 -14.593 -1.026 33 HD22 LEU 4 1HD2 LEU 4 1.228 -13.156 -0.187 34 HD23 LEU 4 2HD2 LEU 4 2.356 -14.436 -0.633 35 H GLN 5 H GLN 5 3.491 -11.442 -5.382 36 HA GLN 5 HA GLN 5 6.235 -12.071 -4.618 37 HB2 GLN 5 1HB GLN 5 5.038 -9.782 -6.180 38 HB3 GLN 5 2HB GLN 5 6.741 -9.874 -5.747 39 HG2 GLN 5 1HG GLN 5 6.963 -11.946 -7.001 40 HG3 GLN 5 2HG GLN 5 5.251 -11.891 -7.412 41 HE21 GLN 5 2HE2 GLN 5 7.654 -11.886 -9.094 42 HE22 GLN 5 1HE2 GLN 5 7.532 -10.478 -10.089 43 H GLN 6 H GLN 6 6.808 -11.663 -2.620 44 HA GLN 6 HA GLN 6 5.561 -9.422 -1.197 45 HB2 GLN 6 1HB GLN 6 7.079 -11.824 -0.172 46 HB3 GLN 6 2HB GLN 6 6.537 -10.497 0.845 47 HG2 GLN 6 1HG GLN 6 4.218 -10.989 0.236 48 HG3 GLN 6 2HG GLN 6 4.776 -12.338 -0.755 49 HE21 GLN 6 2HE2 GLN 6 3.026 -12.255 1.615 50 HE22 GLN 6 1HE2 GLN 6 3.751 -13.342 2.751 51 H LYS 7 H LYS 7 6.677 -7.607 -1.240 52 HA LYS 7 HA LYS 7 9.577 -7.737 -0.778 53 HB2 LYS 7 1HB LYS 7 8.187 -5.913 -2.754 54 HB3 LYS 7 2HB LYS 7 9.882 -5.802 -2.305 55 HG2 LYS 7 1HG LYS 7 10.199 -8.102 -3.192 56 HG3 LYS 7 2HG LYS 7 8.533 -8.053 -3.772 57 HD2 LYS 7 1HD LYS 7 9.085 -6.062 -5.114 58 HD3 LYS 7 2HD LYS 7 10.759 -6.176 -4.565 59 HE2 LYS 7 1HE LYS 7 10.907 -8.421 -5.565 60 HE3 LYS 7 2HE LYS 7 9.256 -8.253 -6.155 61 HZ1 LYS 7 3HZ LYS 7 10.876 -7.756 -7.876 62 HZ2 LYS 7 1HZ LYS 7 11.550 -6.526 -6.924 63 HZ3 LYS 7 2HZ LYS 7 9.967 -6.379 -7.506 64 H GLN 8 H GLN 8 10.420 -5.567 -0.049 65 HA GLN 8 HA GLN 8 8.587 -4.386 1.879 66 HB2 GLN 8 1HB GLN 8 11.470 -3.669 1.285 67 HB3 GLN 8 2HB GLN 8 10.533 -3.152 2.677 68 HG2 GLN 8 1HG GLN 8 11.241 -6.016 2.084 69 HG3 GLN 8 2HG GLN 8 12.171 -4.960 3.144 70 HE21 GLN 8 2HE2 GLN 8 10.814 -7.452 3.742 71 HE22 GLN 8 1HE2 GLN 8 9.680 -7.106 5.001 72 H VAL 9 H VAL 9 7.449 -2.575 1.460 73 HA VAL 9 HA VAL 9 8.354 -0.887 -0.782 74 HB VAL 9 HB VAL 9 5.968 -0.353 -1.246 75 HG11 VAL 9 1HG1 VAL 9 5.445 -2.456 -2.399 76 HG12 VAL 9 2HG1 VAL 9 6.702 -3.273 -1.471 77 HG13 VAL 9 3HG1 VAL 9 7.135 -1.997 -2.611 78 HG21 VAL 9 3HG2 VAL 9 5.001 -0.923 0.906 79 HG22 VAL 9 1HG2 VAL 9 5.426 -2.618 0.671 80 HG23 VAL 9 2HG2 VAL 9 4.228 -1.856 -0.375 81 H VAL 10 H VAL 10 7.724 1.339 -0.676 82 HA VAL 10 HA VAL 10 7.543 2.309 2.094 83 HB VAL 10 HB VAL 10 8.257 3.893 -0.380 84 HG11 VAL 10 1HG1 VAL 10 9.163 5.511 1.217 85 HG12 VAL 10 2HG1 VAL 10 8.629 4.490 2.552 86 HG13 VAL 10 3HG1 VAL 10 7.441 5.233 1.481 87 HG21 VAL 10 3HG2 VAL 10 10.138 2.667 1.633 88 HG22 VAL 10 1HG2 VAL 10 10.589 3.695 0.275 89 HG23 VAL 10 2HG2 VAL 10 9.896 2.099 -0.019 90 H VAL 11 H VAL 11 5.547 2.942 2.744 91 HA VAL 11 HA VAL 11 3.450 3.661 0.965 92 HB VAL 11 HB VAL 11 3.732 4.408 3.884 93 HG11 VAL 11 1HG1 VAL 11 1.290 4.580 3.839 94 HG12 VAL 11 2HG1 VAL 11 1.297 4.230 2.111 95 HG13 VAL 11 3HG1 VAL 11 2.038 5.714 2.714 96 HG21 VAL 11 3HG2 VAL 11 3.919 2.000 3.588 97 HG22 VAL 11 1HG2 VAL 11 2.441 1.989 2.626 98 HG23 VAL 11 2HG2 VAL 11 2.377 2.416 4.336 99 H SER 12 H SER 12 3.654 5.359 -0.358 100 HA SER 12 HA SER 12 5.417 7.530 0.478 101 HB2 SER 12 1HB SER 12 5.942 6.361 -1.613 102 HB3 SER 12 2HB SER 12 4.364 6.803 -2.261 103 HG SER 12 HG SER 12 5.260 8.569 -2.902 104 H ASN 13 H ASN 13 2.297 7.216 -1.259 105 HA ASN 13 HA ASN 13 1.614 9.886 -0.220 106 HB2 ASN 13 1HB ASN 13 1.627 8.914 -3.024 107 HB3 ASN 13 2HB ASN 13 0.257 9.908 -2.546 108 HD21 ASN 13 2HD2 ASN 13 3.380 10.323 -1.099 109 HD22 ASN 13 1HD2 ASN 13 3.745 11.837 -1.849 110 H LYS 14 H LYS 14 -0.478 10.237 0.380 111 HA LYS 14 HA LYS 14 -2.353 8.011 -0.024 112 HB2 LYS 14 1HB LYS 14 -3.604 8.838 1.920 113 HB3 LYS 14 2HB LYS 14 -1.957 8.411 2.346 114 HG2 LYS 14 1HG LYS 14 -1.343 10.783 2.323 115 HG3 LYS 14 2HG LYS 14 -3.012 11.199 1.920 116 HD2 LYS 14 1HD LYS 14 -3.756 10.112 4.003 117 HD3 LYS 14 2HD LYS 14 -2.073 9.777 4.408 118 HE2 LYS 14 1HE LYS 14 -1.640 12.229 4.344 119 HE3 LYS 14 2HE LYS 14 -3.370 12.482 4.118 120 HZ1 LYS 14 3HZ LYS 14 -3.745 11.314 6.237 121 HZ2 LYS 14 1HZ LYS 14 -2.804 12.714 6.436 122 HZ3 LYS 14 2HZ LYS 14 -2.068 11.187 6.454 123 H ARG 15 H ARG 15 -4.067 8.379 -1.258 124 HA ARG 15 HA ARG 15 -4.676 11.138 -2.050 125 HB2 ARG 15 1HB ARG 15 -3.838 8.883 -3.881 126 HB3 ARG 15 2HB ARG 15 -4.667 10.320 -4.458 127 HG2 ARG 15 1HG ARG 15 -2.845 11.656 -4.183 128 HG3 ARG 15 2HG ARG 15 -2.205 10.701 -2.845 129 HD2 ARG 15 1HD ARG 15 -1.240 9.139 -4.251 130 HD3 ARG 15 2HD ARG 15 -2.309 9.539 -5.598 131 HE ARG 15 HE ARG 15 -0.789 11.796 -5.102 132 HH11 ARG 15 1HH1 ARG 15 -0.148 8.464 -5.951 133 HH12 ARG 15 2HH1 ARG 15 1.215 8.837 -6.959 134 HH21 ARG 15 1HH2 ARG 15 1.032 12.302 -6.405 135 HH22 ARG 15 2HH2 ARG 15 1.910 11.014 -7.188 136 H GLU 16 H GLU 16 -6.709 11.291 -3.264 137 HA GLU 16 HA GLU 16 -8.344 8.897 -3.409 138 HB2 GLU 16 1HB GLU 16 -9.033 11.288 -1.745 139 HB3 GLU 16 2HB GLU 16 -10.319 10.414 -2.563 140 HG2 GLU 16 1HG GLU 16 -9.174 8.336 -1.429 141 HG3 GLU 16 2HG GLU 16 -8.569 9.565 -0.317 142 H LYS 17 H LYS 17 -8.747 8.821 -5.502 143 HA LYS 17 HA LYS 17 -9.322 11.306 -6.954 144 HB2 LYS 17 1HB LYS 17 -8.878 8.479 -7.925 145 HB3 LYS 17 2HB LYS 17 -9.255 9.835 -8.977 146 HG2 LYS 17 1HG LYS 17 -6.804 9.532 -7.254 147 HG3 LYS 17 2HG LYS 17 -6.886 9.385 -9.011 148 HD2 LYS 17 1HD LYS 17 -7.699 11.756 -9.078 149 HD3 LYS 17 2HD LYS 17 -7.354 11.856 -7.350 150 HE2 LYS 17 1HE LYS 17 -5.472 12.764 -8.469 151 HE3 LYS 17 2HE LYS 17 -4.996 11.167 -7.894 152 HZ1 LYS 17 3HZ LYS 17 -4.254 11.554 -10.161 153 HZ2 LYS 17 1HZ LYS 17 -5.851 11.827 -10.664 154 HZ3 LYS 17 2HZ LYS 17 -5.388 10.291 -10.120 155 HA PRO 18 HA PRO 18 -13.686 10.206 -6.606 156 HB2 PRO 18 1HB PRO 18 -14.183 12.868 -7.655 157 HB3 PRO 18 2HB PRO 18 -14.547 12.228 -6.051 158 HG2 PRO 18 1HG PRO 18 -12.652 14.131 -6.504 159 HG3 PRO 18 2HG PRO 18 -12.570 12.975 -5.162 160 HD2 PRO 18 1HD PRO 18 -11.158 12.917 -7.807 161 HD3 PRO 18 2HD PRO 18 -10.535 12.525 -6.188 162 H VAL 19 H VAL 19 -14.060 8.815 -8.256 163 HA VAL 19 HA VAL 19 -13.568 9.449 -11.000 164 HB VAL 19 HB VAL 19 -15.211 7.171 -9.869 165 HG11 VAL 19 1HG1 VAL 19 -15.572 7.514 -12.247 166 HG12 VAL 19 2HG1 VAL 19 -14.657 6.031 -11.967 167 HG13 VAL 19 3HG1 VAL 19 -13.832 7.484 -12.532 168 HG21 VAL 19 3HG2 VAL 19 -12.262 7.286 -10.492 169 HG22 VAL 19 1HG2 VAL 19 -13.157 5.834 -10.042 170 HG23 VAL 19 2HG2 VAL 19 -12.989 7.159 -8.891 171 H ASN 20 H ASN 20 -14.995 10.050 -12.581 172 HA ASN 20 HA ASN 20 -17.323 11.471 -11.796 173 HB2 ASN 20 1HB ASN 20 -16.182 10.707 -14.475 174 HB3 ASN 20 2HB ASN 20 -17.735 11.527 -14.343 175 HD21 ASN 20 2HD2 ASN 20 -14.293 11.805 -13.902 176 HD22 ASN 20 1HD2 ASN 20 -14.259 13.532 -13.735 177 H ASP 21 H ASP 21 -16.783 8.214 -12.921 178 HA ASP 21 HA ASP 21 -19.555 7.645 -13.373 179 HB2 ASP 21 1HB ASP 21 -17.801 6.281 -14.435 180 HB3 ASP 21 2HB ASP 21 -17.264 5.736 -12.848 181 H ARG 22 H ARG 22 -20.989 7.658 -11.820 182 HA ARG 22 HA ARG 22 -20.139 6.968 -9.087 183 HB2 ARG 22 1HB ARG 22 -22.174 8.946 -10.102 184 HB3 ARG 22 2HB ARG 22 -22.113 8.432 -8.424 185 HG2 ARG 22 1HG ARG 22 -19.940 9.377 -8.142 186 HG3 ARG 22 2HG ARG 22 -19.806 9.712 -9.870 187 HD2 ARG 22 1HD ARG 22 -20.428 11.655 -8.312 188 HD3 ARG 22 2HD ARG 22 -21.375 11.434 -9.781 189 HE ARG 22 HE ARG 22 -23.209 10.847 -8.507 190 HH11 ARG 22 1HH1 ARG 22 -20.380 11.094 -6.456 191 HH12 ARG 22 2HH1 ARG 22 -21.286 11.056 -4.979 192 HH21 ARG 22 1HH2 ARG 22 -24.414 10.841 -6.575 193 HH22 ARG 22 2HH2 ARG 22 -23.590 10.896 -5.043 194 H ARG 23 H ARG 23 -21.953 6.214 -7.685 195 HA ARG 23 HA ARG 23 -23.517 4.134 -8.825 196 HB2 ARG 23 1HB ARG 23 -23.598 5.528 -6.148 197 HB3 ARG 23 2HB ARG 23 -24.678 4.206 -6.562 198 HG2 ARG 23 1HG ARG 23 -22.900 2.666 -6.697 199 HG3 ARG 23 2HG ARG 23 -21.690 3.950 -6.673 200 HD2 ARG 23 1HD ARG 23 -21.929 2.727 -4.515 201 HD3 ARG 23 2HD ARG 23 -22.179 4.467 -4.395 202 HE ARG 23 HE ARG 23 -24.654 3.848 -4.503 203 HH11 ARG 23 1HH1 ARG 23 -22.207 1.752 -3.123 204 HH12 ARG 23 2HH1 ARG 23 -23.288 1.022 -1.976 205 HH21 ARG 23 1HH2 ARG 23 -26.078 2.915 -2.968 206 HH22 ARG 23 2HH2 ARG 23 -25.489 1.670 -1.906 207 H SER 24 H SER 24 -24.703 6.940 -7.036 208 HA SER 24 HA SER 24 -26.998 7.191 -8.767 209 HB2 SER 24 1HB SER 24 -26.066 8.989 -6.509 210 HB3 SER 24 2HB SER 24 -27.654 9.014 -7.275 211 HG SER 24 HG SER 24 -28.241 7.479 -5.985 212 H ARG 25 H ARG 25 -26.974 8.334 -10.591 213 HA ARG 25 HA ARG 25 -24.703 9.648 -11.577 214 HB2 ARG 25 1HB ARG 25 -27.554 10.116 -12.462 215 HB3 ARG 25 2HB ARG 25 -26.098 10.376 -13.410 216 HG2 ARG 25 1HG ARG 25 -25.662 7.972 -13.405 217 HG3 ARG 25 2HG ARG 25 -27.125 7.712 -12.450 218 HD2 ARG 25 1HD ARG 25 -28.408 8.819 -14.299 219 HD3 ARG 25 2HD ARG 25 -26.928 8.791 -15.255 220 HE ARG 25 HE ARG 25 -28.234 6.350 -14.232 221 HH11 ARG 25 1HH1 ARG 25 -26.568 8.131 -16.742 222 HH12 ARG 25 2HH1 ARG 25 -26.640 6.830 -17.897 223 HH21 ARG 25 1HH2 ARG 25 -28.324 4.626 -15.738 224 HH22 ARG 25 2HH2 ARG 25 -27.623 4.827 -17.319 225 H GLN 26 H GLN 26 -27.556 10.813 -9.922 226 HA GLN 26 HA GLN 26 -26.951 13.590 -10.188 227 HB2 GLN 26 1HB GLN 26 -29.227 12.822 -9.853 228 HB3 GLN 26 2HB GLN 26 -28.786 12.074 -8.327 229 HG2 GLN 26 1HG GLN 26 -28.429 14.214 -7.310 230 HG3 GLN 26 2HG GLN 26 -28.657 15.033 -8.858 231 HE21 GLN 26 2HE2 GLN 26 -30.123 15.255 -6.286 232 HE22 GLN 26 1HE2 GLN 26 -31.782 14.948 -6.682 233 H GLN 27 H GLN 27 -25.655 14.822 -8.977 234 HA GLN 27 HA GLN 27 -24.635 13.703 -6.453 235 HB2 GLN 27 1HB GLN 27 -22.880 13.665 -8.159 236 HB3 GLN 27 2HB GLN 27 -23.124 15.381 -8.467 237 HG2 GLN 27 1HG GLN 27 -22.499 15.811 -6.086 238 HG3 GLN 27 2HG GLN 27 -22.068 14.108 -5.955 239 HE21 GLN 27 2HE2 GLN 27 -20.429 16.500 -5.670 240 HE22 GLN 27 1HE2 GLN 27 -19.140 16.339 -6.823 241 H GLU 28 H GLU 28 -25.259 14.856 -4.784 242 HA GLU 28 HA GLU 28 -25.356 17.784 -5.037 243 HB2 GLU 28 1HB GLU 28 -27.157 16.027 -3.354 244 HB3 GLU 28 2HB GLU 28 -27.152 17.786 -3.331 245 HG2 GLU 28 1HG GLU 28 -27.792 17.790 -5.709 246 HG3 GLU 28 2HG GLU 28 -27.868 16.029 -5.669 247 H VAL 29 H VAL 29 -25.620 18.406 -2.339 248 HA VAL 29 HA VAL 29 -22.908 17.800 -1.493 249 HB VAL 29 HB VAL 29 -24.873 19.579 -0.054 250 HG11 VAL 29 1HG1 VAL 29 -22.867 18.959 1.199 251 HG12 VAL 29 2HG1 VAL 29 -22.856 20.676 0.788 252 HG13 VAL 29 3HG1 VAL 29 -21.856 19.544 -0.122 253 HG21 VAL 29 3HG2 VAL 29 -23.913 21.464 -1.300 254 HG22 VAL 29 1HG2 VAL 29 -24.749 20.332 -2.362 255 HG23 VAL 29 2HG2 VAL 29 -22.987 20.331 -2.285 256 H SER 30 H SER 30 -23.917 15.500 -1.292 257 HA SER 30 HA SER 30 -24.608 15.147 1.544 258 HB2 SER 30 1HB SER 30 -26.607 14.750 0.143 259 HB3 SER 30 2HB SER 30 -25.719 13.528 -0.766 260 HG SER 30 HG SER 30 -26.884 12.462 0.792 261 HA PRO 31 HA PRO 31 -20.806 12.736 1.197 262 HB2 PRO 31 1HB PRO 31 -20.737 12.163 3.882 263 HB3 PRO 31 2HB PRO 31 -20.082 13.639 3.168 264 HG2 PRO 31 1HG PRO 31 -22.697 13.196 4.544 265 HG3 PRO 31 2HG PRO 31 -21.593 14.580 4.648 266 HD2 PRO 31 1HD PRO 31 -23.840 14.646 3.164 267 HD3 PRO 31 2HD PRO 31 -22.362 15.504 2.680 268 H ALA 32 H ALA 32 -23.926 11.886 2.432 269 HA ALA 32 HA ALA 32 -23.395 9.090 2.774 270 HB1 ALA 32 3HB ALA 32 -26.017 10.558 2.482 271 HB2 ALA 32 1HB ALA 32 -25.202 10.177 4.000 272 HB3 ALA 32 2HB ALA 32 -25.830 8.878 2.986 273 H GLY 33 H GLY 33 -24.056 11.161 0.137 274 HA2 GLY 33 1HA GLY 33 -24.984 8.980 -1.581 275 HA3 GLY 33 2HA GLY 33 -24.950 10.688 -1.999 276 H THR 34 H THR 34 -22.260 8.992 -0.557 277 HA THR 34 HA THR 34 -20.944 8.394 -3.012 278 HB THR 34 HB THR 34 -20.622 10.882 -2.883 279 HG1 THR 34 HG1 THR 34 -18.041 10.205 -2.621 280 HG21 THR 34 3HG2 THR 34 -20.474 11.148 -0.469 281 HG22 THR 34 1HG2 THR 34 -19.011 11.760 -1.239 282 HG23 THR 34 2HG2 THR 34 -18.994 10.190 -0.433 283 H SER 35 H SER 35 -18.740 7.506 -2.580 284 HA SER 35 HA SER 35 -18.536 6.469 0.165 285 HB2 SER 35 1HB SER 35 -17.654 4.347 -0.906 286 HB3 SER 35 2HB SER 35 -19.368 4.667 -1.170 287 HG SER 35 HG SER 35 -17.313 5.371 -3.000 288 H MET 36 H MET 36 -16.734 7.169 1.080 289 HA MET 36 HA MET 36 -14.476 7.998 -0.555 290 HB2 MET 36 1HB MET 36 -14.941 8.151 2.429 291 HB3 MET 36 2HB MET 36 -13.510 8.762 1.611 292 HG2 MET 36 1HG MET 36 -14.893 10.331 0.355 293 HG3 MET 36 2HG MET 36 -16.329 9.717 1.172 294 HE1 MET 36 3HE MET 36 -12.765 10.275 2.746 295 HE2 MET 36 1HE MET 36 -12.904 11.930 3.339 296 HE3 MET 36 2HE MET 36 -12.916 11.611 1.605 297 H ARG 37 H ARG 37 -12.381 7.161 -0.312 298 HA ARG 37 HA ARG 37 -11.867 4.854 1.277 299 HB2 ARG 37 1HB ARG 37 -11.251 3.591 -1.045 300 HB3 ARG 37 2HB ARG 37 -12.703 3.302 -0.110 301 HG2 ARG 37 1HG ARG 37 -13.473 3.501 -2.285 302 HG3 ARG 37 2HG ARG 37 -13.789 5.088 -1.592 303 HD2 ARG 37 1HD ARG 37 -11.252 4.563 -3.091 304 HD3 ARG 37 2HD ARG 37 -12.748 4.899 -3.960 305 HE ARG 37 HE ARG 37 -11.934 6.793 -1.892 306 HH11 ARG 37 1HH1 ARG 37 -12.099 6.021 -5.300 307 HH12 ARG 37 2HH1 ARG 37 -11.905 7.667 -5.810 308 HH21 ARG 37 1HH2 ARG 37 -11.716 8.942 -2.531 309 HH22 ARG 37 2HH2 ARG 37 -11.696 9.337 -4.228 310 H TYR 38 H TYR 38 -9.978 5.435 1.968 311 HA TYR 38 HA TYR 38 -8.280 7.255 0.678 312 HB2 TYR 38 1HB TYR 38 -7.694 5.324 2.936 313 HB3 TYR 38 2HB TYR 38 -6.620 6.620 2.432 314 HD1 TYR 38 HD2 TYR 38 -10.143 7.435 2.301 315 HD2 TYR 38 HD1 TYR 38 -6.737 7.311 4.850 316 HE1 TYR 38 HE2 TYR 38 -11.267 8.957 3.867 317 HE2 TYR 38 HE1 TYR 38 -7.855 8.834 6.422 318 HH TYR 38 HH TYR 38 -9.650 10.533 6.396 319 H GLU 39 H GLU 39 -6.828 6.982 -0.870 320 HA GLU 39 HA GLU 39 -6.084 4.247 -1.628 321 HB2 GLU 39 1HB GLU 39 -5.811 6.797 -3.244 322 HB3 GLU 39 2HB GLU 39 -5.537 5.160 -3.822 323 HG2 GLU 39 1HG GLU 39 -7.906 4.652 -3.479 324 HG3 GLU 39 2HG GLU 39 -8.171 6.301 -2.917 325 H ALA 40 H ALA 40 -3.973 3.630 -1.657 326 HA ALA 40 HA ALA 40 -2.057 5.617 -0.624 327 HB1 ALA 40 3HB ALA 40 -2.659 3.968 1.078 328 HB2 ALA 40 1HB ALA 40 -0.965 3.824 0.611 329 HB3 ALA 40 2HB ALA 40 -2.149 2.668 0.001 330 H SER 41 H SER 41 -0.311 5.947 -1.763 331 HA SER 41 HA SER 41 0.267 4.224 -4.045 332 HB2 SER 41 1HB SER 41 1.505 6.879 -3.267 333 HB3 SER 41 2HB SER 41 1.711 6.037 -4.802 334 HG SER 41 HG SER 41 -0.576 6.286 -5.119 335 H PHE 42 H PHE 42 1.772 2.710 -3.908 336 HA PHE 42 HA PHE 42 3.667 2.807 -1.666 337 HB2 PHE 42 1HB PHE 42 2.822 0.479 -3.406 338 HB3 PHE 42 2HB PHE 42 3.964 0.384 -2.071 339 HD1 PHE 42 HD1 PHE 42 3.167 0.801 0.252 340 HD2 PHE 42 HD2 PHE 42 0.497 0.426 -3.039 341 HE1 PHE 42 HE1 PHE 42 1.311 0.378 1.812 342 HE2 PHE 42 HE2 PHE 42 -1.365 0.005 -1.487 343 HZ PHE 42 HZ PHE 42 -0.958 -0.018 0.941 344 H LYS 43 H LYS 43 5.744 3.074 -1.990 345 HA LYS 43 HA LYS 43 6.679 3.432 -4.733 346 HB2 LYS 43 1HB LYS 43 6.911 5.176 -2.863 347 HB3 LYS 43 2HB LYS 43 8.158 4.130 -2.205 348 HG2 LYS 43 1HG LYS 43 9.516 4.413 -4.144 349 HG3 LYS 43 2HG LYS 43 8.223 5.269 -4.986 350 HD2 LYS 43 1HD LYS 43 8.320 6.977 -3.124 351 HD3 LYS 43 2HD LYS 43 9.805 6.183 -2.596 352 HE2 LYS 43 1HE LYS 43 10.863 6.656 -4.704 353 HE3 LYS 43 2HE LYS 43 9.361 7.316 -5.353 354 HZ1 LYS 43 3HZ LYS 43 11.126 8.458 -3.271 355 HZ2 LYS 43 1HZ LYS 43 9.511 8.961 -3.441 356 HZ3 LYS 43 2HZ LYS 43 10.600 9.168 -4.720 357 HA PRO 44 HA PRO 44 8.763 -0.503 -4.298 358 HB2 PRO 44 1HB PRO 44 9.853 -0.089 -6.945 359 HB3 PRO 44 2HB PRO 44 8.597 -1.217 -6.434 360 HG2 PRO 44 1HG PRO 44 8.137 0.948 -8.040 361 HG3 PRO 44 2HG PRO 44 6.909 0.219 -6.990 362 HD2 PRO 44 1HD PRO 44 8.564 2.674 -6.558 363 HD3 PRO 44 2HD PRO 44 6.856 2.377 -6.168 364 H LEU 45 H LEU 45 10.681 -0.954 -3.429 365 HA LEU 45 HA LEU 45 12.770 0.955 -3.251 366 HB2 LEU 45 1HB LEU 45 12.747 -1.998 -2.635 367 HB3 LEU 45 2HB LEU 45 14.057 -0.911 -2.225 368 HG LEU 45 HG LEU 45 11.241 -0.690 -1.161 369 HD11 LEU 45 1HD1 LEU 45 12.200 -1.493 0.935 370 HD12 LEU 45 2HD1 LEU 45 13.760 -1.713 0.141 371 HD13 LEU 45 3HD1 LEU 45 12.374 -2.690 -0.351 372 HD21 LEU 45 3HD2 LEU 45 12.433 1.457 -1.292 373 HD22 LEU 45 1HD2 LEU 45 13.773 0.759 -0.384 374 HD23 LEU 45 2HD2 LEU 45 12.192 0.943 0.377 375 H ASN 46 H ASN 46 12.013 -1.492 -5.543 376 HA ASN 46 HA ASN 46 14.736 -1.759 -6.492 377 HB2 ASN 46 1HB ASN 46 12.206 -2.936 -7.659 378 HB3 ASN 46 2HB ASN 46 13.852 -3.401 -8.061 379 HD21 ASN 46 2HD2 ASN 46 14.720 -3.285 -5.236 380 HD22 ASN 46 1HD2 ASN 46 14.055 -4.708 -4.503 381 H GLY 47 H GLY 47 13.055 0.726 -6.672 382 HA2 GLY 47 1HA GLY 47 13.005 2.522 -8.126 383 HA3 GLY 47 2HA GLY 47 13.885 1.545 -9.289 384 H GLY 48 H GLY 48 11.194 3.254 -9.028 385 HA2 GLY 48 1HA GLY 48 9.963 2.293 -11.301 386 HA3 GLY 48 2HA GLY 48 9.204 1.432 -9.971 387 H LEU 49 H LEU 49 7.204 2.366 -10.220 388 HA LEU 49 HA LEU 49 7.061 5.227 -9.556 389 HB2 LEU 49 1HB LEU 49 5.256 3.665 -11.408 390 HB3 LEU 49 2HB LEU 49 4.962 5.312 -10.887 391 HG LEU 49 HG LEU 49 7.336 4.410 -12.519 392 HD11 LEU 49 1HD1 LEU 49 4.859 5.924 -13.330 393 HD12 LEU 49 2HD1 LEU 49 5.260 4.267 -13.780 394 HD13 LEU 49 3HD1 LEU 49 6.256 5.602 -14.357 395 HD21 LEU 49 3HD2 LEU 49 7.829 6.337 -11.100 396 HD22 LEU 49 1HD2 LEU 49 6.410 7.173 -11.733 397 HD23 LEU 49 2HD2 LEU 49 7.764 6.799 -12.801 398 H GLU 50 H GLU 50 5.189 5.869 -8.366 399 HA GLU 50 HA GLU 50 4.648 4.096 -6.218 400 HB2 GLU 50 1HB GLU 50 3.329 6.716 -6.948 401 HB3 GLU 50 2HB GLU 50 3.198 5.905 -5.393 402 HG2 GLU 50 1HG GLU 50 5.412 6.348 -4.838 403 HG3 GLU 50 2HG GLU 50 5.860 6.689 -6.507 404 H LYS 51 H LYS 51 3.335 2.421 -6.328 405 HA LYS 51 HA LYS 51 1.134 2.308 -8.208 406 HB2 LYS 51 1HB LYS 51 2.139 0.380 -6.108 407 HB3 LYS 51 2HB LYS 51 0.744 0.056 -7.124 408 HG2 LYS 51 1HG LYS 51 2.093 0.016 -9.091 409 HG3 LYS 51 2HG LYS 51 3.503 0.597 -8.201 410 HD2 LYS 51 1HD LYS 51 3.582 -1.444 -6.912 411 HD3 LYS 51 2HD LYS 51 2.088 -2.010 -7.656 412 HE2 LYS 51 1HE LYS 51 4.594 -1.423 -9.219 413 HE3 LYS 51 2HE LYS 51 4.218 -3.014 -8.559 414 HZ1 LYS 51 3HZ LYS 51 3.488 -2.998 -10.794 415 HZ2 LYS 51 1HZ LYS 51 2.694 -1.507 -10.617 416 HZ3 LYS 51 2HZ LYS 51 2.094 -2.882 -9.841 417 H THR 52 H THR 52 -0.875 2.984 -7.762 418 HA THR 52 HA THR 52 -1.463 3.663 -4.964 419 HB THR 52 HB THR 52 -2.860 4.664 -7.451 420 HG1 THR 52 HG1 THR 52 -0.591 5.280 -7.244 421 HG21 THR 52 3HG2 THR 52 -2.883 5.654 -4.595 422 HG22 THR 52 1HG2 THR 52 -4.209 4.827 -5.414 423 HG23 THR 52 2HG2 THR 52 -3.697 6.425 -5.957 424 H PHE 53 H PHE 53 -2.587 2.156 -3.945 425 HA PHE 53 HA PHE 53 -4.774 0.803 -5.387 426 HB2 PHE 53 1HB PHE 53 -3.201 -0.134 -2.976 427 HB3 PHE 53 2HB PHE 53 -4.565 -0.992 -3.684 428 HD1 PHE 53 HD1 PHE 53 -4.351 -1.671 -6.159 429 HD2 PHE 53 HD2 PHE 53 -1.049 -0.565 -3.711 430 HE1 PHE 53 HE1 PHE 53 -2.825 -2.843 -7.693 431 HE2 PHE 53 HE2 PHE 53 0.482 -1.732 -5.242 432 HZ PHE 53 HZ PHE 53 -0.405 -2.875 -7.235 433 H ARG 54 H ARG 54 -6.755 0.482 -4.243 434 HA ARG 54 HA ARG 54 -7.322 2.741 -2.502 435 HB2 ARG 54 1HB ARG 54 -9.087 0.774 -3.949 436 HB3 ARG 54 2HB ARG 54 -9.719 1.966 -2.816 437 HG2 ARG 54 1HG ARG 54 -8.817 3.764 -4.163 438 HG3 ARG 54 2HG ARG 54 -8.107 2.597 -5.276 439 HD2 ARG 54 1HD ARG 54 -11.056 2.797 -4.721 440 HD3 ARG 54 2HD ARG 54 -10.248 3.649 -6.037 441 HE ARG 54 HE ARG 54 -10.869 0.830 -5.890 442 HH11 ARG 54 1HH1 ARG 54 -8.885 3.294 -7.399 443 HH12 ARG 54 2HH1 ARG 54 -8.614 2.380 -8.845 444 HH21 ARG 54 1HH2 ARG 54 -10.513 -0.389 -7.796 445 HH22 ARG 54 2HH2 ARG 54 -9.551 0.281 -9.076 446 H LEU 55 H LEU 55 -7.934 2.640 -0.434 447 HA LEU 55 HA LEU 55 -7.986 0.006 0.869 448 HB2 LEU 55 1HB LEU 55 -6.356 2.432 1.622 449 HB3 LEU 55 2HB LEU 55 -6.623 1.076 2.708 450 HG LEU 55 HG LEU 55 -5.234 0.892 0.031 451 HD11 LEU 55 1HD1 LEU 55 -4.096 0.870 2.823 452 HD12 LEU 55 2HD1 LEU 55 -3.947 2.187 1.659 453 HD13 LEU 55 3HD1 LEU 55 -3.192 0.628 1.328 454 HD21 LEU 55 3HD2 LEU 55 -4.591 -1.341 0.797 455 HD22 LEU 55 1HD2 LEU 55 -6.344 -1.181 0.682 456 HD23 LEU 55 2HD2 LEU 55 -5.553 -1.117 2.259 457 H GLN 56 H GLN 56 -8.776 0.146 3.122 458 HA GLN 56 HA GLN 56 -10.842 2.219 3.423 459 HB2 GLN 56 1HB GLN 56 -10.518 -0.456 4.804 460 HB3 GLN 56 2HB GLN 56 -11.800 0.696 5.145 461 HG2 GLN 56 1HG GLN 56 -11.328 -0.668 2.504 462 HG3 GLN 56 2HG GLN 56 -12.551 -1.115 3.693 463 HE21 GLN 56 2HE2 GLN 56 -12.879 -0.289 0.933 464 HE22 GLN 56 1HE2 GLN 56 -13.892 1.116 0.966 465 H ALA 57 H ALA 57 -11.209 2.943 5.736 466 HA ALA 57 HA ALA 57 -8.822 4.027 6.798 467 HB1 ALA 57 3HB ALA 57 -10.999 5.122 7.063 468 HB2 ALA 57 1HB ALA 57 -10.216 4.857 8.621 469 HB3 ALA 57 2HB ALA 57 -11.533 3.804 8.107 470 H GLN 58 H GLN 58 -10.805 1.264 7.637 471 HA GLN 58 HA GLN 58 -9.610 0.435 10.008 472 HB2 GLN 58 1HB GLN 58 -11.647 -0.551 8.987 473 HB3 GLN 58 2HB GLN 58 -10.643 -1.298 7.754 474 HG2 GLN 58 1HG GLN 58 -9.443 -2.493 9.614 475 HG3 GLN 58 2HG GLN 58 -10.705 -1.900 10.694 476 HE21 GLN 58 2HE2 GLN 58 -10.026 -4.626 9.988 477 HE22 GLN 58 1HE2 GLN 58 -11.451 -5.324 9.304 478 H GLN 59 H GLN 59 -8.541 0.111 6.694 479 HA GLN 59 HA GLN 59 -6.381 -1.706 7.374 480 HB2 GLN 59 1HB GLN 59 -7.131 -0.393 4.755 481 HB3 GLN 59 2HB GLN 59 -5.884 -1.617 4.953 482 HG2 GLN 59 1HG GLN 59 -7.472 -3.276 5.515 483 HG3 GLN 59 2HG GLN 59 -8.758 -2.082 5.687 484 HE21 GLN 59 2HE2 GLN 59 -8.619 -4.464 4.010 485 HE22 GLN 59 1HE2 GLN 59 -8.853 -3.906 2.384 486 H TYR 60 H TYR 60 -6.846 1.639 6.364 487 HA TYR 60 HA TYR 60 -4.135 2.366 6.134 488 HB2 TYR 60 1HB TYR 60 -6.027 3.707 5.250 489 HB3 TYR 60 2HB TYR 60 -6.495 4.108 6.898 490 HD1 TYR 60 HD2 TYR 60 -3.649 4.404 4.515 491 HD2 TYR 60 HD1 TYR 60 -5.629 6.016 7.918 492 HE1 TYR 60 HE2 TYR 60 -2.139 6.343 4.467 493 HE2 TYR 60 HE1 TYR 60 -4.123 7.959 7.879 494 HH TYR 60 HH TYR 60 -1.883 8.536 7.038 495 H HIS 61 H HIS 61 -6.093 1.695 8.828 496 HA HIS 61 HA HIS 61 -5.039 3.137 10.925 497 HB2 HIS 61 1HB HIS 61 -6.939 1.528 11.035 498 HB3 HIS 61 2HB HIS 61 -5.792 0.203 10.932 499 HD1 HIS 61 HD1 HIS 61 -7.652 2.115 13.309 500 HD2 HIS 61 HD2 HIS 61 -3.928 0.254 13.291 501 HE1 HIS 61 HE1 HIS 61 -7.021 1.826 15.730 502 HE2 HIS 61 HE2 HIS 61 -4.841 0.553 15.694 503 H ALA 62 H ALA 62 -3.570 0.540 9.107 504 HA ALA 62 HA ALA 62 -1.474 0.175 11.103 505 HB1 ALA 62 3HB ALA 62 -0.755 -1.711 9.755 506 HB2 ALA 62 1HB ALA 62 -1.916 -1.278 8.500 507 HB3 ALA 62 2HB ALA 62 -2.484 -1.809 10.083 508 H LEU 63 H LEU 63 -1.581 0.775 7.579 509 HA LEU 63 HA LEU 63 1.224 1.282 7.499 510 HB2 LEU 63 1HB LEU 63 0.912 1.795 5.141 511 HB3 LEU 63 2HB LEU 63 0.137 0.288 5.578 512 HG LEU 63 HG LEU 63 -1.597 2.688 5.607 513 HD11 LEU 63 1HD1 LEU 63 -0.244 3.099 3.617 514 HD12 LEU 63 2HD1 LEU 63 -1.888 2.633 3.179 515 HD13 LEU 63 3HD1 LEU 63 -0.573 1.463 3.047 516 HD21 LEU 63 3HD2 LEU 63 -1.865 -0.133 4.579 517 HD22 LEU 63 1HD2 LEU 63 -3.144 1.080 4.545 518 HD23 LEU 63 2HD2 LEU 63 -2.515 0.506 6.086 519 H THR 64 H THR 64 2.318 3.101 7.547 520 HA THR 64 HA THR 64 0.848 5.656 7.521 521 HB THR 64 HB THR 64 3.361 5.088 9.111 522 HG1 THR 64 HG1 THR 64 0.860 4.298 9.609 523 HG21 THR 64 3HG2 THR 64 2.986 7.449 8.566 524 HG22 THR 64 1HG2 THR 64 2.767 7.154 10.291 525 HG23 THR 64 2HG2 THR 64 1.360 7.349 9.245 526 H VAL 65 H VAL 65 1.935 7.409 6.487 527 HA VAL 65 HA VAL 65 3.477 6.767 4.241 528 HB VAL 65 HB VAL 65 3.144 9.430 5.633 529 HG11 VAL 65 1HG1 VAL 65 3.903 10.445 3.537 530 HG12 VAL 65 2HG1 VAL 65 4.240 8.842 2.882 531 HG13 VAL 65 3HG1 VAL 65 5.163 9.445 4.258 532 HG21 VAL 65 3HG2 VAL 65 1.522 9.857 3.838 533 HG22 VAL 65 1HG2 VAL 65 1.065 8.467 4.823 534 HG23 VAL 65 2HG2 VAL 65 1.781 8.219 3.231 535 H GLY 66 H GLY 66 5.559 6.383 3.964 536 HA2 GLY 66 1HA GLY 66 7.874 6.646 4.345 537 HA3 GLY 66 2HA GLY 66 7.519 7.342 5.920 538 H ASP 67 H ASP 67 5.556 5.059 6.337 539 HA ASP 67 HA ASP 67 7.449 3.409 7.728 540 HB2 ASP 67 1HB ASP 67 5.272 3.967 8.742 541 HB3 ASP 67 2HB ASP 67 4.451 3.087 7.458 542 H GLN 68 H GLN 68 8.665 2.352 6.273 543 HA GLN 68 HA GLN 68 7.771 0.840 4.095 544 HB2 GLN 68 1HB GLN 68 10.178 0.482 5.876 545 HB3 GLN 68 2HB GLN 68 9.896 -0.475 4.429 546 HG2 GLN 68 1HG GLN 68 9.929 1.568 3.084 547 HG3 GLN 68 2HG GLN 68 10.252 2.509 4.542 548 HE21 GLN 68 2HE2 GLN 68 12.220 3.243 3.723 549 HE22 GLN 68 1HE2 GLN 68 13.608 2.209 3.625 550 H GLY 69 H GLY 69 7.175 -1.267 3.831 551 HA2 GLY 69 1HA GLY 69 7.155 -3.121 6.038 552 HA3 GLY 69 2HA GLY 69 5.555 -2.533 5.597 553 H THR 70 H THR 70 5.655 -5.081 5.318 554 HA THR 70 HA THR 70 6.802 -5.833 2.745 555 HB THR 70 HB THR 70 5.366 -7.586 4.748 556 HG1 THR 70 HG1 THR 70 7.727 -6.350 4.955 557 HG21 THR 70 3HG2 THR 70 6.631 -9.391 3.649 558 HG22 THR 70 1HG2 THR 70 7.295 -8.223 2.508 559 HG23 THR 70 2HG2 THR 70 5.565 -8.561 2.515 560 H LEU 71 H LEU 71 5.639 -6.146 0.957 561 HA LEU 71 HA LEU 71 2.710 -5.952 1.204 562 HB2 LEU 71 1HB LEU 71 3.717 -3.974 0.167 563 HB3 LEU 71 2HB LEU 71 4.498 -4.988 -1.031 564 HG LEU 71 HG LEU 71 2.286 -5.635 -1.912 565 HD11 LEU 71 1HD1 LEU 71 0.985 -5.378 0.126 566 HD12 LEU 71 2HD1 LEU 71 0.297 -4.419 -1.184 567 HD13 LEU 71 3HD1 LEU 71 1.241 -3.635 0.082 568 HD21 LEU 71 3HD2 LEU 71 1.745 -3.482 -2.940 569 HD22 LEU 71 1HD2 LEU 71 3.487 -3.756 -2.902 570 HD23 LEU 71 2HD2 LEU 71 2.740 -2.657 -1.741 571 H SER 72 H SER 72 1.659 -7.692 0.635 572 HA SER 72 HA SER 72 2.891 -9.673 -1.155 573 HB2 SER 72 1HB SER 72 0.358 -9.849 0.502 574 HB3 SER 72 2HB SER 72 1.144 -11.174 -0.358 575 HG SER 72 HG SER 72 2.580 -9.701 1.558 576 H TYR 73 H TYR 73 2.557 -9.043 -3.220 577 HA TYR 73 HA TYR 73 -0.245 -8.592 -3.970 578 HB2 TYR 73 1HB TYR 73 0.643 -7.296 -5.948 579 HB3 TYR 73 2HB TYR 73 0.825 -6.518 -4.385 580 HD1 TYR 73 HD1 TYR 73 3.075 -6.389 -3.331 581 HD2 TYR 73 HD2 TYR 73 2.539 -7.853 -7.288 582 HE1 TYR 73 HE1 TYR 73 5.465 -6.038 -3.777 583 HE2 TYR 73 HE2 TYR 73 4.932 -7.514 -7.740 584 HH TYR 73 HH TYR 73 7.188 -6.885 -5.285 585 H LYS 74 H LYS 74 -1.090 -10.055 -5.214 586 HA LYS 74 HA LYS 74 0.671 -12.050 -6.437 587 HB2 LYS 74 1HB LYS 74 -1.129 -12.765 -4.841 588 HB3 LYS 74 2HB LYS 74 -2.317 -12.166 -5.986 589 HG2 LYS 74 1HG LYS 74 -1.684 -13.809 -7.606 590 HG3 LYS 74 2HG LYS 74 -0.318 -14.326 -6.611 591 HD2 LYS 74 1HD LYS 74 -3.229 -14.534 -5.826 592 HD3 LYS 74 2HD LYS 74 -2.242 -15.864 -6.436 593 HE2 LYS 74 1HE LYS 74 -0.784 -15.724 -4.523 594 HE3 LYS 74 2HE LYS 74 -1.611 -14.280 -3.948 595 HZ1 LYS 74 3HZ LYS 74 -2.318 -16.216 -2.725 596 HZ2 LYS 74 1HZ LYS 74 -2.798 -17.000 -4.149 597 HZ3 LYS 74 2HZ LYS 74 -3.615 -15.607 -3.630 598 H GLY 75 H GLY 75 1.216 -11.456 -8.422 599 HA2 GLY 75 1HA GLY 75 0.920 -10.979 -10.671 600 HA3 GLY 75 2HA GLY 75 -0.816 -10.895 -10.393 601 H THR 76 H THR 76 -1.700 -8.951 -10.568 602 HA THR 76 HA THR 76 0.016 -6.597 -10.092 603 HB THR 76 HB THR 76 -1.606 -5.432 -11.699 604 HG1 THR 76 HG1 THR 76 -3.207 -6.681 -12.302 605 HG21 THR 76 3HG2 THR 76 0.697 -5.965 -12.309 606 HG22 THR 76 1HG2 THR 76 -0.383 -6.208 -13.682 607 HG23 THR 76 2HG2 THR 76 0.209 -7.597 -12.769 608 H ARG 77 H ARG 77 -1.968 -8.214 -8.395 609 HA ARG 77 HA ARG 77 -3.858 -6.044 -7.786 610 HB2 ARG 77 1HB ARG 77 -4.948 -8.069 -8.586 611 HB3 ARG 77 2HB ARG 77 -4.137 -9.017 -7.348 612 HG2 ARG 77 1HG ARG 77 -5.365 -7.890 -5.612 613 HG3 ARG 77 2HG ARG 77 -6.095 -6.798 -6.791 614 HD2 ARG 77 1HD ARG 77 -6.482 -9.784 -6.617 615 HD3 ARG 77 2HD ARG 77 -7.665 -8.541 -6.202 616 HE ARG 77 HE ARG 77 -6.654 -9.049 -8.933 617 HH11 ARG 77 1HH1 ARG 77 -9.183 -8.033 -6.730 618 HH12 ARG 77 2HH1 ARG 77 -10.342 -7.726 -7.988 619 HH21 ARG 77 1HH2 ARG 77 -8.165 -8.635 -10.597 620 HH22 ARG 77 2HH2 ARG 77 -9.766 -8.086 -10.187 621 H PHE 78 H PHE 78 -4.002 -5.253 -5.790 622 HA PHE 78 HA PHE 78 -2.042 -5.806 -3.815 623 HB2 PHE 78 1HB PHE 78 -3.096 -3.599 -4.040 624 HB3 PHE 78 2HB PHE 78 -4.664 -4.291 -3.646 625 HD1 PHE 78 HD1 PHE 78 -5.193 -4.949 -1.359 626 HD2 PHE 78 HD2 PHE 78 -1.468 -3.142 -2.345 627 HE1 PHE 78 HE1 PHE 78 -4.803 -4.467 1.020 628 HE2 PHE 78 HE2 PHE 78 -1.070 -2.662 0.034 629 HZ PHE 78 HZ PHE 78 -2.736 -3.325 1.720 630 H VAL 79 H VAL 79 -2.016 -7.595 -2.591 631 HA VAL 79 HA VAL 79 -4.542 -8.943 -1.991 632 HB VAL 79 HB VAL 79 -1.688 -9.860 -1.596 633 HG11 VAL 79 1HG1 VAL 79 -3.138 -10.817 0.109 634 HG12 VAL 79 2HG1 VAL 79 -2.645 -12.047 -1.055 635 HG13 VAL 79 3HG1 VAL 79 -4.265 -11.357 -1.134 636 HG21 VAL 79 3HG2 VAL 79 -2.390 -9.757 -3.934 637 HG22 VAL 79 1HG2 VAL 79 -3.800 -10.745 -3.559 638 HG23 VAL 79 2HG2 VAL 79 -2.180 -11.424 -3.401 639 H GLY 80 H GLY 80 -1.564 -8.012 -0.244 640 HA2 GLY 80 1HA GLY 80 -3.096 -6.880 1.904 641 HA3 GLY 80 2HA GLY 80 -2.374 -8.425 2.332 642 H PHE 81 H PHE 81 -1.904 -5.590 3.216 643 HA PHE 81 HA PHE 81 1.002 -5.552 2.753 644 HB2 PHE 81 1HB PHE 81 -0.015 -3.551 1.812 645 HB3 PHE 81 2HB PHE 81 -0.867 -3.236 3.320 646 HD1 PHE 81 HD1 PHE 81 2.487 -3.379 1.768 647 HD2 PHE 81 HD2 PHE 81 0.157 -2.041 5.069 648 HE1 PHE 81 HE1 PHE 81 4.382 -2.023 2.553 649 HE2 PHE 81 HE2 PHE 81 2.048 -0.681 5.857 650 HZ PHE 81 HZ PHE 81 4.165 -0.671 4.601 651 H VAL 82 H VAL 82 2.245 -5.834 4.486 652 HA VAL 82 HA VAL 82 1.081 -5.368 7.148 653 HB VAL 82 HB VAL 82 2.788 -7.759 6.408 654 HG11 VAL 82 1HG1 VAL 82 1.492 -6.996 9.023 655 HG12 VAL 82 2HG1 VAL 82 3.220 -6.988 8.668 656 HG13 VAL 82 3HG1 VAL 82 2.332 -8.513 8.700 657 HG21 VAL 82 3HG2 VAL 82 -0.139 -7.626 7.128 658 HG22 VAL 82 1HG2 VAL 82 0.794 -9.102 6.890 659 HG23 VAL 82 2HG2 VAL 82 0.528 -8.000 5.540 660 H SER 83 H SER 83 2.242 -3.716 7.928 661 HA SER 83 HA SER 83 4.877 -3.066 7.272 662 HB2 SER 83 1HB SER 83 3.353 -2.490 9.827 663 HB3 SER 83 2HB SER 83 4.832 -1.675 9.316 664 HG SER 83 HG SER 83 3.578 -0.367 8.280 665 H ARG 84 H ARG 84 6.855 -3.505 8.297 666 HA ARG 84 HA ARG 84 6.974 -6.114 9.469 667 HB2 ARG 84 1HB ARG 84 9.437 -5.711 9.554 668 HB3 ARG 84 2HB ARG 84 8.722 -5.553 7.959 669 HG2 ARG 84 1HG ARG 84 8.695 -3.061 8.350 670 HG3 ARG 84 2HG ARG 84 9.691 -3.368 9.777 671 HD2 ARG 84 1HD ARG 84 11.344 -4.507 8.350 672 HD3 ARG 84 2HD ARG 84 10.361 -4.137 6.937 673 HE ARG 84 HE ARG 84 11.523 -2.017 8.633 674 HH11 ARG 84 1HH1 ARG 84 10.929 -3.443 5.476 675 HH12 ARG 84 2HH1 ARG 84 11.712 -2.153 4.618 676 HH21 ARG 84 1HH2 ARG 84 12.547 -0.339 7.494 677 HH22 ARG 84 2HH2 ARG 84 12.631 -0.392 5.759 678 H THR 85 H THR 85 6.429 -3.081 10.720 679 HA THR 85 HA THR 85 7.273 -3.853 13.408 680 HB THR 85 HB THR 85 5.885 -1.316 12.500 681 HG1 THR 85 HG1 THR 85 7.996 -0.407 12.626 682 HG21 THR 85 3HG2 THR 85 7.333 -1.999 15.064 683 HG22 THR 85 1HG2 THR 85 5.591 -1.787 14.878 684 HG23 THR 85 2HG2 THR 85 6.676 -0.416 14.648 685 HA PRO 86 HA PRO 86 3.238 -5.768 13.673 686 HB2 PRO 86 1HB PRO 86 3.946 -6.247 16.482 687 HB3 PRO 86 2HB PRO 86 3.618 -7.408 15.194 688 HG2 PRO 86 1HG PRO 86 6.094 -7.031 16.180 689 HG3 PRO 86 2HG PRO 86 5.811 -7.426 14.473 690 HD2 PRO 86 1HD PRO 86 6.414 -4.778 15.736 691 HD3 PRO 86 2HD PRO 86 7.031 -5.470 14.220 692 H ASP 87 H ASP 87 1.307 -4.953 14.122 693 HA ASP 87 HA ASP 87 0.959 -2.628 15.742 694 HB2 ASP 87 1HB ASP 87 -0.479 -2.948 13.825 695 HB3 ASP 87 2HB ASP 87 -1.029 -4.502 14.439 696 H ASN 88 H ASN 88 -0.441 -2.522 17.647 697 HA ASN 88 HA ASN 88 0.389 -4.688 19.432 698 HB2 ASN 88 1HB ASN 88 0.993 -2.258 19.829 699 HB3 ASN 88 2HB ASN 88 -0.706 -1.976 20.187 700 HD21 ASN 88 2HD2 ASN 88 -0.406 -1.401 22.280 701 HD22 ASN 88 1HD2 ASN 88 0.109 -2.509 23.513 702 H GLU 89 H GLU 89 -1.926 -5.111 17.762 703 HA GLU 89 HA GLU 89 -4.053 -5.159 19.792 704 HB2 GLU 89 1HB GLU 89 -4.778 -3.970 17.839 705 HB3 GLU 89 2HB GLU 89 -4.217 -5.255 16.782 706 HG2 GLU 89 1HG GLU 89 -6.630 -5.278 16.978 707 HG3 GLU 89 2HG GLU 89 -5.931 -6.744 17.660 708 H LEU 90 H LEU 90 -3.154 -7.118 16.972 709 HA LEU 90 HA LEU 90 -4.341 -9.466 18.027 710 HB2 LEU 90 1HB LEU 90 -2.312 -9.159 15.814 711 HB3 LEU 90 2HB LEU 90 -3.228 -10.616 16.147 712 HG LEU 90 HG LEU 90 -4.395 -7.971 15.271 713 HD11 LEU 90 1HD1 LEU 90 -4.035 -10.569 13.786 714 HD12 LEU 90 2HD1 LEU 90 -3.161 -9.066 13.490 715 HD13 LEU 90 3HD1 LEU 90 -4.895 -9.151 13.186 716 HD21 LEU 90 3HD2 LEU 90 -5.910 -9.212 16.726 717 HD22 LEU 90 1HD2 LEU 90 -5.713 -10.646 15.717 718 HD23 LEU 90 2HD2 LEU 90 -6.490 -9.205 15.060 719 H GLU 91 H GLU 91 -3.569 -11.001 19.321 720 HA GLU 91 HA GLU 91 -0.964 -10.611 20.510 721 HB2 GLU 91 1HB GLU 91 -2.805 -11.162 21.971 722 HB3 GLU 91 2HB GLU 91 -3.171 -12.608 21.041 723 HG2 GLU 91 1HG GLU 91 -1.095 -13.626 21.737 724 HG3 GLU 91 2HG GLU 91 -0.627 -12.152 22.584 725 H HIS 92 H HIS 92 0.824 -11.547 19.830 726 HA HIS 92 HA HIS 92 0.605 -14.054 18.296 727 HB2 HIS 92 1HB HIS 92 2.531 -11.760 17.879 728 HB3 HIS 92 2HB HIS 92 2.696 -13.333 17.107 729 HD1 HIS 92 HD1 HIS 92 0.898 -10.119 16.878 730 HD2 HIS 92 HD2 HIS 92 0.702 -13.889 15.134 731 HE1 HIS 92 HE1 HIS 92 -0.537 -9.847 14.826 732 HE2 HIS 92 HE2 HIS 92 -0.495 -12.099 13.694 733 H HIS 93 H HIS 93 1.882 -15.697 18.905 734 HA HIS 93 HA HIS 93 3.197 -15.574 21.428 735 HB2 HIS 93 1HB HIS 93 2.084 -17.615 20.459 736 HB3 HIS 93 2HB HIS 93 3.425 -17.741 19.326 737 HD1 HIS 93 HD1 HIS 93 2.607 -18.085 22.980 738 HD2 HIS 93 HD2 HIS 93 5.729 -18.884 20.351 739 HE1 HIS 93 HE1 HIS 93 4.242 -19.496 24.274 740 HE2 HIS 93 HE2 HIS 93 5.965 -20.193 22.572 741 H HIS 94 H HIS 94 4.174 -15.233 18.118 742 HA HIS 94 HA HIS 94 6.967 -14.863 18.994 743 HB2 HIS 94 1HB HIS 94 6.268 -16.692 17.225 744 HB3 HIS 94 2HB HIS 94 6.207 -15.318 16.128 745 HD1 HIS 94 HD1 HIS 94 8.319 -14.949 14.909 746 HD2 HIS 94 HD2 HIS 94 8.954 -16.736 18.612 747 HE1 HIS 94 HE1 HIS 94 10.791 -15.409 15.031 748 HE2 HIS 94 HE2 HIS 94 11.107 -16.677 17.184 749 H HIS 95 H HIS 95 7.606 -12.803 18.993 750 HA HIS 95 HA HIS 95 5.887 -10.840 17.642 751 HB2 HIS 95 1HB HIS 95 7.896 -10.490 19.878 752 HB3 HIS 95 2HB HIS 95 6.954 -9.186 19.164 753 HD1 HIS 95 HD1 HIS 95 6.864 -11.706 21.792 754 HD2 HIS 95 HD2 HIS 95 4.085 -9.487 19.634 755 HE1 HIS 95 HE1 HIS 95 4.719 -11.844 23.101 756 HE2 HIS 95 HE2 HIS 95 3.012 -10.644 21.683 757 H HIS 96 H HIS 96 9.264 -11.774 18.052 758 HA HIS 96 HA HIS 96 10.208 -9.676 16.302 759 HB2 HIS 96 1HB HIS 96 11.446 -10.725 18.316 760 HB3 HIS 96 2HB HIS 96 11.814 -12.054 17.224 761 HD1 HIS 96 HD1 HIS 96 12.397 -8.332 17.595 762 HD2 HIS 96 HD2 HIS 96 13.966 -11.621 15.584 763 HE1 HIS 96 HE1 HIS 96 14.529 -7.527 16.528 764 HE2 HIS 96 HE2 HIS 96 15.564 -9.586 15.518 765 H HIS 97 H HIS 97 11.033 -9.967 14.200 766 HA HIS 97 HA HIS 97 10.128 -12.471 12.934 767 HB2 HIS 97 1HB HIS 97 10.076 -9.676 11.778 768 HB3 HIS 97 2HB HIS 97 9.635 -11.139 10.905 769 HD1 HIS 97 HD1 HIS 97 7.471 -12.410 11.787 770 HD2 HIS 97 HD2 HIS 97 8.090 -8.600 13.332 771 HE1 HIS 97 HE1 HIS 97 5.283 -11.741 12.833 772 HE2 HIS 97 HE2 HIS 97 5.772 -9.548 13.973 Start of MODEL 20 1 H1 MET 1 1H MET 1 8.229 -20.533 -5.373 2 H2 MET 1 2H MET 1 9.134 -19.610 -6.465 3 H3 MET 1 3H MET 1 8.867 -21.257 -6.769 4 HA MET 1 HA MET 1 7.447 -19.954 -8.172 5 HB2 MET 1 1HB MET 1 5.920 -21.229 -5.892 6 HB3 MET 1 2HB MET 1 5.249 -20.839 -7.468 7 HG2 MET 1 1HG MET 1 6.783 -22.416 -8.516 8 HG3 MET 1 2HG MET 1 7.462 -22.804 -6.935 9 HE1 MET 1 3HE MET 1 7.041 -25.371 -7.245 10 HE2 MET 1 1HE MET 1 6.419 -25.059 -8.865 11 HE3 MET 1 2HE MET 1 5.498 -26.065 -7.745 12 H ALA 2 H ALA 2 6.785 -19.349 -4.741 13 HA ALA 2 HA ALA 2 5.890 -17.618 -3.609 14 HB1 ALA 2 3HB ALA 2 6.838 -15.953 -5.936 15 HB2 ALA 2 1HB ALA 2 7.816 -16.421 -4.546 16 HB3 ALA 2 2HB ALA 2 6.420 -15.365 -4.327 17 HA PRO 3 HA PRO 3 1.881 -17.721 -5.910 18 HB2 PRO 3 1HB PRO 3 0.456 -18.205 -3.612 19 HB3 PRO 3 2HB PRO 3 1.090 -19.474 -4.665 20 HG2 PRO 3 1HG PRO 3 2.206 -18.400 -2.110 21 HG3 PRO 3 2HG PRO 3 2.132 -20.075 -2.686 22 HD2 PRO 3 1HD PRO 3 4.395 -18.611 -2.806 23 HD3 PRO 3 2HD PRO 3 3.987 -19.822 -4.039 24 H LEU 4 H LEU 4 2.757 -16.371 -2.771 25 HA LEU 4 HA LEU 4 1.281 -13.920 -3.433 26 HB2 LEU 4 1HB LEU 4 0.746 -15.081 -1.268 27 HB3 LEU 4 2HB LEU 4 2.395 -14.781 -0.761 28 HG LEU 4 HG LEU 4 2.000 -12.369 -0.846 29 HD11 LEU 4 1HD1 LEU 4 0.333 -12.317 -2.620 30 HD12 LEU 4 2HD1 LEU 4 -0.267 -11.508 -1.172 31 HD13 LEU 4 3HD1 LEU 4 -0.826 -13.132 -1.570 32 HD21 LEU 4 3HD2 LEU 4 0.473 -12.236 1.062 33 HD22 LEU 4 1HD2 LEU 4 1.608 -13.574 1.234 34 HD23 LEU 4 2HD2 LEU 4 -0.059 -13.889 0.751 35 H GLN 5 H GLN 5 2.585 -12.503 -4.409 36 HA GLN 5 HA GLN 5 5.447 -12.697 -4.104 37 HB2 GLN 5 1HB GLN 5 3.746 -10.766 -5.695 38 HB3 GLN 5 2HB GLN 5 5.500 -10.887 -5.789 39 HG2 GLN 5 1HG GLN 5 5.335 -13.140 -6.639 40 HG3 GLN 5 2HG GLN 5 3.584 -13.112 -6.452 41 HE21 GLN 5 2HE2 GLN 5 5.213 -13.566 -8.819 42 HE22 GLN 5 1HE2 GLN 5 4.731 -12.363 -9.975 43 H GLN 6 H GLN 6 6.429 -11.820 -2.446 44 HA GLN 6 HA GLN 6 5.276 -9.397 -1.239 45 HB2 GLN 6 1HB GLN 6 6.954 -11.563 0.036 46 HB3 GLN 6 2HB GLN 6 6.398 -10.109 0.851 47 HG2 GLN 6 1HG GLN 6 4.077 -10.818 0.518 48 HG3 GLN 6 2HG GLN 6 4.650 -12.286 -0.275 49 HE21 GLN 6 2HE2 GLN 6 3.048 -11.966 2.152 50 HE22 GLN 6 1HE2 GLN 6 3.919 -12.765 3.415 51 H LYS 7 H LYS 7 6.380 -7.650 -1.770 52 HA LYS 7 HA LYS 7 9.288 -7.712 -1.378 53 HB2 LYS 7 1HB LYS 7 8.662 -7.701 -3.861 54 HB3 LYS 7 2HB LYS 7 8.010 -6.091 -3.585 55 HG2 LYS 7 1HG LYS 7 10.227 -5.354 -2.806 56 HG3 LYS 7 2HG LYS 7 10.865 -6.956 -3.170 57 HD2 LYS 7 1HD LYS 7 10.047 -6.588 -5.541 58 HD3 LYS 7 2HD LYS 7 9.791 -4.902 -5.081 59 HE2 LYS 7 1HE LYS 7 12.138 -4.686 -4.492 60 HE3 LYS 7 2HE LYS 7 12.410 -6.381 -4.892 61 HZ1 LYS 7 3HZ LYS 7 11.685 -5.835 -7.192 62 HZ2 LYS 7 1HZ LYS 7 13.123 -5.063 -6.716 63 HZ3 LYS 7 2HZ LYS 7 11.667 -4.194 -6.758 64 H GLN 8 H GLN 8 10.133 -5.685 -0.608 65 HA GLN 8 HA GLN 8 8.141 -4.317 0.978 66 HB2 GLN 8 1HB GLN 8 11.145 -4.022 0.922 67 HB3 GLN 8 2HB GLN 8 10.070 -3.222 2.063 68 HG2 GLN 8 1HG GLN 8 9.289 -5.524 2.741 69 HG3 GLN 8 2HG GLN 8 10.645 -6.154 1.805 70 HE21 GLN 8 2HE2 GLN 8 10.089 -6.308 4.657 71 HE22 GLN 8 1HE2 GLN 8 11.457 -5.605 5.450 72 H VAL 9 H VAL 9 7.592 -2.210 0.893 73 HA VAL 9 HA VAL 9 8.743 -0.537 -1.222 74 HB VAL 9 HB VAL 9 6.446 0.268 -1.815 75 HG11 VAL 9 1HG1 VAL 9 6.992 -2.655 -2.325 76 HG12 VAL 9 2HG1 VAL 9 7.602 -1.298 -3.271 77 HG13 VAL 9 3HG1 VAL 9 5.874 -1.647 -3.243 78 HG21 VAL 9 3HG2 VAL 9 5.279 -0.473 0.191 79 HG22 VAL 9 1HG2 VAL 9 5.566 -2.155 -0.250 80 HG23 VAL 9 2HG2 VAL 9 4.527 -1.145 -1.256 81 H VAL 10 H VAL 10 7.851 1.750 -1.021 82 HA VAL 10 HA VAL 10 7.640 2.479 1.822 83 HB VAL 10 HB VAL 10 8.359 4.276 -0.502 84 HG11 VAL 10 1HG1 VAL 10 8.522 4.705 2.479 85 HG12 VAL 10 2HG1 VAL 10 7.387 5.474 1.369 86 HG13 VAL 10 3HG1 VAL 10 9.111 5.826 1.251 87 HG21 VAL 10 3HG2 VAL 10 10.091 2.603 -0.212 88 HG22 VAL 10 1HG2 VAL 10 10.174 2.961 1.513 89 HG23 VAL 10 2HG2 VAL 10 10.662 4.179 0.335 90 H VAL 11 H VAL 11 5.619 2.924 2.460 91 HA VAL 11 HA VAL 11 3.512 3.706 0.716 92 HB VAL 11 HB VAL 11 3.640 4.247 3.685 93 HG11 VAL 11 1HG1 VAL 11 1.209 4.027 3.567 94 HG12 VAL 11 2HG1 VAL 11 1.316 3.738 1.831 95 HG13 VAL 11 3HG1 VAL 11 1.789 5.302 2.495 96 HG21 VAL 11 3HG2 VAL 11 4.233 1.922 3.322 97 HG22 VAL 11 1HG2 VAL 11 2.821 1.702 2.289 98 HG23 VAL 11 2HG2 VAL 11 2.613 2.037 4.009 99 H SER 12 H SER 12 3.890 5.514 -0.464 100 HA SER 12 HA SER 12 5.596 7.568 0.592 101 HB2 SER 12 1HB SER 12 5.715 6.744 -1.770 102 HB3 SER 12 2HB SER 12 4.158 7.516 -2.068 103 HG SER 12 HG SER 12 6.365 8.953 -1.020 104 H ASN 13 H ASN 13 2.198 7.434 -0.482 105 HA ASN 13 HA ASN 13 1.476 9.569 1.280 106 HB2 ASN 13 1HB ASN 13 2.586 10.840 -0.547 107 HB3 ASN 13 2HB ASN 13 1.447 10.146 -1.694 108 HD21 ASN 13 2HD2 ASN 13 0.608 12.112 -2.298 109 HD22 ASN 13 1HD2 ASN 13 -0.392 13.064 -1.261 110 H LYS 14 H LYS 14 -0.759 9.871 1.416 111 HA LYS 14 HA LYS 14 -2.393 7.797 0.193 112 HB2 LYS 14 1HB LYS 14 -4.191 8.659 1.628 113 HB3 LYS 14 2HB LYS 14 -2.748 8.310 2.572 114 HG2 LYS 14 1HG LYS 14 -2.253 10.569 2.874 115 HG3 LYS 14 2HG LYS 14 -3.312 11.069 1.556 116 HD2 LYS 14 1HD LYS 14 -5.261 10.369 2.869 117 HD3 LYS 14 2HD LYS 14 -4.192 9.894 4.189 118 HE2 LYS 14 1HE LYS 14 -5.227 12.119 4.514 119 HE3 LYS 14 2HE LYS 14 -3.466 12.162 4.493 120 HZ1 LYS 14 3HZ LYS 14 -3.472 13.043 2.313 121 HZ2 LYS 14 1HZ LYS 14 -4.586 13.958 3.205 122 HZ3 LYS 14 2HZ LYS 14 -5.135 12.778 2.117 123 H ARG 15 H ARG 15 -4.240 8.294 -1.087 124 HA ARG 15 HA ARG 15 -4.372 11.028 -2.136 125 HB2 ARG 15 1HB ARG 15 -4.261 8.556 -3.882 126 HB3 ARG 15 2HB ARG 15 -4.499 10.201 -4.445 127 HG2 ARG 15 1HG ARG 15 -2.258 10.790 -3.659 128 HG3 ARG 15 2HG ARG 15 -2.023 9.129 -3.112 129 HD2 ARG 15 1HD ARG 15 -2.366 8.350 -5.425 130 HD3 ARG 15 2HD ARG 15 -2.512 10.026 -5.947 131 HE ARG 15 HE ARG 15 -0.070 9.512 -4.545 132 HH11 ARG 15 1HH1 ARG 15 -1.644 9.318 -7.663 133 HH12 ARG 15 2HH1 ARG 15 -0.160 9.352 -8.558 134 HH21 ARG 15 1HH2 ARG 15 1.886 9.518 -5.713 135 HH22 ARG 15 2HH2 ARG 15 1.850 9.426 -7.457 136 H GLU 16 H GLU 16 -6.330 11.348 -3.468 137 HA GLU 16 HA GLU 16 -8.424 9.345 -3.168 138 HB2 GLU 16 1HB GLU 16 -8.822 10.900 -1.312 139 HB3 GLU 16 2HB GLU 16 -8.772 12.263 -2.422 140 HG2 GLU 16 1HG GLU 16 -10.759 11.300 -3.580 141 HG3 GLU 16 2HG GLU 16 -10.843 10.081 -2.309 142 H LYS 17 H LYS 17 -8.279 8.903 -5.352 143 HA LYS 17 HA LYS 17 -8.961 11.143 -7.143 144 HB2 LYS 17 1HB LYS 17 -7.813 8.440 -7.869 145 HB3 LYS 17 2HB LYS 17 -8.109 9.771 -8.975 146 HG2 LYS 17 1HG LYS 17 -6.271 10.151 -6.654 147 HG3 LYS 17 2HG LYS 17 -5.710 9.307 -8.093 148 HD2 LYS 17 1HD LYS 17 -5.079 11.584 -8.336 149 HD3 LYS 17 2HD LYS 17 -6.431 11.312 -9.430 150 HE2 LYS 17 1HE LYS 17 -7.073 12.294 -6.709 151 HE3 LYS 17 2HE LYS 17 -6.272 13.423 -7.798 152 HZ1 LYS 17 3HZ LYS 17 -8.722 13.531 -7.869 153 HZ2 LYS 17 1HZ LYS 17 -8.761 11.948 -8.472 154 HZ3 LYS 17 2HZ LYS 17 -8.032 13.178 -9.375 155 HA PRO 18 HA PRO 18 -12.906 8.842 -6.804 156 HB2 PRO 18 1HB PRO 18 -14.398 10.969 -7.680 157 HB3 PRO 18 2HB PRO 18 -13.968 10.701 -5.988 158 HG2 PRO 18 1HG PRO 18 -12.696 12.507 -8.004 159 HG3 PRO 18 2HG PRO 18 -13.049 12.810 -6.292 160 HD2 PRO 18 1HD PRO 18 -10.575 12.184 -7.146 161 HD3 PRO 18 2HD PRO 18 -11.191 11.637 -5.573 162 H VAL 19 H VAL 19 -13.749 7.670 -8.422 163 HA VAL 19 HA VAL 19 -12.890 7.855 -11.076 164 HB VAL 19 HB VAL 19 -15.474 6.626 -10.087 165 HG11 VAL 19 1HG1 VAL 19 -15.286 5.188 -12.057 166 HG12 VAL 19 2HG1 VAL 19 -13.839 6.062 -12.558 167 HG13 VAL 19 3HG1 VAL 19 -15.397 6.889 -12.511 168 HG21 VAL 19 3HG2 VAL 19 -12.726 5.406 -10.344 169 HG22 VAL 19 1HG2 VAL 19 -14.201 4.530 -9.938 170 HG23 VAL 19 2HG2 VAL 19 -13.574 5.759 -8.839 171 H ASN 20 H ASN 20 -13.438 9.215 -12.657 172 HA ASN 20 HA ASN 20 -15.034 11.471 -12.058 173 HB2 ASN 20 1HB ASN 20 -13.733 10.547 -14.616 174 HB3 ASN 20 2HB ASN 20 -14.626 12.059 -14.491 175 HD21 ASN 20 2HD2 ASN 20 -11.798 11.518 -15.056 176 HD22 ASN 20 1HD2 ASN 20 -10.914 12.431 -13.881 177 H ASP 21 H ASP 21 -16.025 8.459 -12.916 178 HA ASP 21 HA ASP 21 -18.249 9.210 -14.585 179 HB2 ASP 21 1HB ASP 21 -17.541 6.629 -13.184 180 HB3 ASP 21 2HB ASP 21 -18.982 6.833 -14.176 181 H ARG 22 H ARG 22 -17.545 9.372 -11.311 182 HA ARG 22 HA ARG 22 -20.309 9.203 -10.421 183 HB2 ARG 22 1HB ARG 22 -18.485 8.420 -8.943 184 HB3 ARG 22 2HB ARG 22 -17.805 10.039 -8.930 185 HG2 ARG 22 1HG ARG 22 -19.847 10.871 -7.843 186 HG3 ARG 22 2HG ARG 22 -20.483 9.224 -7.816 187 HD2 ARG 22 1HD ARG 22 -18.606 8.515 -6.425 188 HD3 ARG 22 2HD ARG 22 -17.943 10.147 -6.472 189 HE ARG 22 HE ARG 22 -20.636 10.034 -5.465 190 HH11 ARG 22 1HH1 ARG 22 -17.255 9.652 -4.566 191 HH12 ARG 22 2HH1 ARG 22 -17.519 10.124 -2.913 192 HH21 ARG 22 1HH2 ARG 22 -20.970 10.612 -3.292 193 HH22 ARG 22 2HH2 ARG 22 -19.632 10.660 -2.184 194 H ARG 23 H ARG 23 -21.374 10.833 -11.486 195 HA ARG 23 HA ARG 23 -20.376 13.579 -11.061 196 HB2 ARG 23 1HB ARG 23 -21.997 12.616 -13.420 197 HB3 ARG 23 2HB ARG 23 -21.242 14.190 -13.223 198 HG2 ARG 23 1HG ARG 23 -19.075 13.282 -13.487 199 HG3 ARG 23 2HG ARG 23 -19.684 11.629 -13.368 200 HD2 ARG 23 1HD ARG 23 -21.064 12.155 -15.435 201 HD3 ARG 23 2HD ARG 23 -20.070 13.603 -15.600 202 HE ARG 23 HE ARG 23 -18.176 12.228 -15.979 203 HH11 ARG 23 1HH1 ARG 23 -21.213 10.482 -15.792 204 HH12 ARG 23 2HH1 ARG 23 -20.575 9.043 -16.535 205 HH21 ARG 23 1HH2 ARG 23 -17.334 10.329 -16.949 206 HH22 ARG 23 2HH2 ARG 23 -18.381 8.964 -17.198 207 H SER 24 H SER 24 -22.485 14.953 -12.032 208 HA SER 24 HA SER 24 -24.711 14.223 -10.259 209 HB2 SER 24 1HB SER 24 -23.574 16.388 -9.769 210 HB3 SER 24 2HB SER 24 -23.966 16.937 -11.396 211 HG SER 24 HG SER 24 -25.413 17.403 -9.405 212 H ARG 25 H ARG 25 -26.890 14.960 -11.144 213 HA ARG 25 HA ARG 25 -27.181 14.006 -13.855 214 HB2 ARG 25 1HB ARG 25 -29.120 14.967 -11.765 215 HB3 ARG 25 2HB ARG 25 -29.640 14.715 -13.423 216 HG2 ARG 25 1HG ARG 25 -30.180 12.765 -12.174 217 HG3 ARG 25 2HG ARG 25 -28.841 12.363 -13.249 218 HD2 ARG 25 1HD ARG 25 -27.275 12.638 -11.382 219 HD3 ARG 25 2HD ARG 25 -28.623 13.023 -10.313 220 HE ARG 25 HE ARG 25 -28.775 10.471 -11.692 221 HH11 ARG 25 1HH1 ARG 25 -27.821 12.177 -8.788 222 HH12 ARG 25 2HH1 ARG 25 -27.918 10.771 -7.772 223 HH21 ARG 25 1HH2 ARG 25 -28.920 8.624 -10.368 224 HH22 ARG 25 2HH2 ARG 25 -28.541 8.740 -8.676 225 H GLN 26 H GLN 26 -26.767 16.990 -12.291 226 HA GLN 26 HA GLN 26 -27.097 18.406 -14.840 227 HB2 GLN 26 1HB GLN 26 -28.168 19.235 -12.146 228 HB3 GLN 26 2HB GLN 26 -27.894 20.391 -13.438 229 HG2 GLN 26 1HG GLN 26 -29.476 19.184 -14.851 230 HG3 GLN 26 2HG GLN 26 -29.752 18.028 -13.547 231 HE21 GLN 26 2HE2 GLN 26 -31.567 19.930 -14.917 232 HE22 GLN 26 1HE2 GLN 26 -32.263 20.878 -13.641 233 H GLN 27 H GLN 27 -26.240 20.852 -14.205 234 HA GLN 27 HA GLN 27 -23.535 20.436 -13.172 235 HB2 GLN 27 1HB GLN 27 -24.778 22.865 -14.487 236 HB3 GLN 27 2HB GLN 27 -23.082 22.689 -14.051 237 HG2 GLN 27 1HG GLN 27 -22.873 20.825 -15.618 238 HG3 GLN 27 2HG GLN 27 -24.571 21.011 -16.059 239 HE21 GLN 27 2HE2 GLN 27 -22.197 21.190 -17.718 240 HE22 GLN 27 1HE2 GLN 27 -22.217 22.772 -18.431 241 H GLU 28 H GLU 28 -26.568 21.408 -12.192 242 HA GLU 28 HA GLU 28 -25.740 23.181 -10.069 243 HB2 GLU 28 1HB GLU 28 -28.403 21.804 -10.479 244 HB3 GLU 28 2HB GLU 28 -28.081 23.163 -9.412 245 HG2 GLU 28 1HG GLU 28 -27.486 24.507 -11.424 246 HG3 GLU 28 2HG GLU 28 -28.029 23.156 -12.418 247 H VAL 29 H VAL 29 -24.972 22.513 -8.182 248 HA VAL 29 HA VAL 29 -24.366 21.208 -6.434 249 HB VAL 29 HB VAL 29 -26.805 19.546 -7.103 250 HG11 VAL 29 1HG1 VAL 29 -26.678 18.816 -4.765 251 HG12 VAL 29 2HG1 VAL 29 -25.184 19.732 -4.565 252 HG13 VAL 29 3HG1 VAL 29 -25.235 18.358 -5.670 253 HG21 VAL 29 3HG2 VAL 29 -27.936 20.847 -5.365 254 HG22 VAL 29 1HG2 VAL 29 -27.393 21.877 -6.688 255 HG23 VAL 29 2HG2 VAL 29 -26.495 21.843 -5.171 256 H SER 30 H SER 30 -22.457 20.533 -7.391 257 HA SER 30 HA SER 30 -22.520 17.760 -8.372 258 HB2 SER 30 1HB SER 30 -20.741 19.985 -9.398 259 HB3 SER 30 2HB SER 30 -20.694 18.303 -9.926 260 HG SER 30 HG SER 30 -23.200 19.348 -10.069 261 HA PRO 31 HA PRO 31 -19.792 17.466 -4.790 262 HB2 PRO 31 1HB PRO 31 -19.906 14.601 -5.447 263 HB3 PRO 31 2HB PRO 31 -20.370 15.427 -3.958 264 HG2 PRO 31 1HG PRO 31 -22.201 14.376 -5.619 265 HG3 PRO 31 2HG PRO 31 -22.507 15.868 -4.711 266 HD2 PRO 31 1HD PRO 31 -21.732 15.524 -7.586 267 HD3 PRO 31 2HD PRO 31 -22.919 16.633 -6.864 268 H ALA 32 H ALA 32 -17.605 17.033 -4.554 269 HA ALA 32 HA ALA 32 -16.075 17.020 -6.980 270 HB1 ALA 32 3HB ALA 32 -14.142 17.257 -5.520 271 HB2 ALA 32 1HB ALA 32 -15.143 16.900 -4.112 272 HB3 ALA 32 2HB ALA 32 -15.419 18.373 -5.041 273 H GLY 33 H GLY 33 -17.228 14.659 -4.812 274 HA2 GLY 33 1HA GLY 33 -17.205 12.346 -5.465 275 HA3 GLY 33 2HA GLY 33 -15.635 12.616 -6.212 276 H THR 34 H THR 34 -16.495 13.833 -3.062 277 HA THR 34 HA THR 34 -14.190 12.731 -1.844 278 HB THR 34 HB THR 34 -16.623 13.782 -0.395 279 HG1 THR 34 HG1 THR 34 -14.511 15.186 -1.715 280 HG21 THR 34 3HG2 THR 34 -14.960 14.548 1.242 281 HG22 THR 34 1HG2 THR 34 -13.671 13.853 0.258 282 HG23 THR 34 2HG2 THR 34 -14.870 12.801 1.012 283 H SER 35 H SER 35 -13.950 11.014 -0.448 284 HA SER 35 HA SER 35 -16.249 9.483 0.415 285 HB2 SER 35 1HB SER 35 -15.137 7.347 -0.553 286 HB3 SER 35 2HB SER 35 -16.073 8.370 -1.641 287 HG SER 35 HG SER 35 -13.492 9.185 -1.519 288 H MET 36 H MET 36 -15.536 7.603 1.822 289 HA MET 36 HA MET 36 -13.242 8.485 3.408 290 HB2 MET 36 1HB MET 36 -15.453 6.512 3.986 291 HB3 MET 36 2HB MET 36 -14.088 6.780 5.063 292 HG2 MET 36 1HG MET 36 -16.165 8.797 4.249 293 HG3 MET 36 2HG MET 36 -15.990 8.031 5.826 294 HE1 MET 36 3HE MET 36 -13.826 8.420 7.402 295 HE2 MET 36 1HE MET 36 -12.517 9.528 6.989 296 HE3 MET 36 2HE MET 36 -12.753 8.053 6.051 297 H ARG 37 H ARG 37 -13.800 6.455 0.908 298 HA ARG 37 HA ARG 37 -11.804 4.488 1.741 299 HB2 ARG 37 1HB ARG 37 -13.504 4.622 -0.760 300 HB3 ARG 37 2HB ARG 37 -12.365 3.337 -0.378 301 HG2 ARG 37 1HG ARG 37 -13.678 2.779 1.614 302 HG3 ARG 37 2HG ARG 37 -14.832 4.046 1.193 303 HD2 ARG 37 1HD ARG 37 -15.332 2.902 -0.902 304 HD3 ARG 37 2HD ARG 37 -14.161 1.645 -0.502 305 HE ARG 37 HE ARG 37 -16.432 2.127 1.294 306 HH11 ARG 37 1HH1 ARG 37 -14.749 0.066 -0.979 307 HH12 ARG 37 2HH1 ARG 37 -15.651 -1.361 -0.553 308 HH21 ARG 37 1HH2 ARG 37 -17.628 0.263 1.863 309 HH22 ARG 37 2HH2 ARG 37 -17.287 -1.252 1.071 310 H TYR 38 H TYR 38 -9.910 5.569 1.682 311 HA TYR 38 HA TYR 38 -9.295 7.356 -0.510 312 HB2 TYR 38 1HB TYR 38 -7.613 6.548 1.872 313 HB3 TYR 38 2HB TYR 38 -7.245 7.846 0.743 314 HD1 TYR 38 HD2 TYR 38 -9.025 9.742 0.563 315 HD2 TYR 38 HD1 TYR 38 -8.783 7.013 3.819 316 HE1 TYR 38 HE2 TYR 38 -10.276 11.322 1.973 317 HE2 TYR 38 HE1 TYR 38 -10.034 8.584 5.238 318 HH TYR 38 HH TYR 38 -11.750 11.174 4.045 319 H GLU 39 H GLU 39 -6.702 7.094 -0.980 320 HA GLU 39 HA GLU 39 -6.235 4.310 -1.782 321 HB2 GLU 39 1HB GLU 39 -5.773 6.750 -3.519 322 HB3 GLU 39 2HB GLU 39 -5.397 5.087 -3.957 323 HG2 GLU 39 1HG GLU 39 -7.719 4.502 -3.975 324 HG3 GLU 39 2HG GLU 39 -8.170 6.081 -3.335 325 H ALA 40 H ALA 40 -3.981 3.774 -1.991 326 HA ALA 40 HA ALA 40 -2.203 5.714 -0.657 327 HB1 ALA 40 3HB ALA 40 -1.091 3.865 0.472 328 HB2 ALA 40 1HB ALA 40 -2.197 2.720 -0.286 329 HB3 ALA 40 2HB ALA 40 -2.808 3.900 0.873 330 H SER 41 H SER 41 -0.315 6.114 -1.617 331 HA SER 41 HA SER 41 0.297 4.667 -4.084 332 HB2 SER 41 1HB SER 41 0.155 7.191 -4.042 333 HB3 SER 41 2HB SER 41 1.592 7.190 -3.022 334 HG SER 41 HG SER 41 2.690 7.072 -4.804 335 H PHE 42 H PHE 42 1.711 3.067 -3.994 336 HA PHE 42 HA PHE 42 3.693 3.026 -1.826 337 HB2 PHE 42 1HB PHE 42 2.729 0.806 -3.645 338 HB3 PHE 42 2HB PHE 42 3.937 0.620 -2.379 339 HD1 PHE 42 HD1 PHE 42 3.285 0.798 -0.013 340 HD2 PHE 42 HD2 PHE 42 0.404 0.890 -3.142 341 HE1 PHE 42 HE1 PHE 42 1.505 0.316 1.616 342 HE2 PHE 42 HE2 PHE 42 -1.381 0.410 -1.519 343 HZ PHE 42 HZ PHE 42 -0.831 0.122 0.863 344 H LYS 43 H LYS 43 5.664 3.642 -2.295 345 HA LYS 43 HA LYS 43 6.537 3.676 -5.090 346 HB2 LYS 43 1HB LYS 43 6.654 5.791 -3.831 347 HB3 LYS 43 2HB LYS 43 7.711 5.030 -2.651 348 HG2 LYS 43 1HG LYS 43 9.445 4.765 -4.282 349 HG3 LYS 43 2HG LYS 43 8.380 5.337 -5.568 350 HD2 LYS 43 1HD LYS 43 8.232 7.523 -4.424 351 HD3 LYS 43 2HD LYS 43 9.370 6.938 -3.208 352 HE2 LYS 43 1HE LYS 43 11.077 6.645 -4.905 353 HE3 LYS 43 2HE LYS 43 9.941 7.121 -6.166 354 HZ1 LYS 43 3HZ LYS 43 9.778 9.308 -5.078 355 HZ2 LYS 43 1HZ LYS 43 11.345 8.965 -5.622 356 HZ3 LYS 43 2HZ LYS 43 10.973 8.838 -3.972 357 HA PRO 44 HA PRO 44 8.992 0.052 -4.253 358 HB2 PRO 44 1HB PRO 44 10.345 0.778 -6.770 359 HB3 PRO 44 2HB PRO 44 9.461 -0.692 -6.353 360 HG2 PRO 44 1HG PRO 44 8.451 1.111 -8.057 361 HG3 PRO 44 2HG PRO 44 7.417 0.212 -6.930 362 HD2 PRO 44 1HD PRO 44 8.429 3.026 -6.745 363 HD3 PRO 44 2HD PRO 44 6.821 2.378 -6.352 364 H LEU 45 H LEU 45 10.892 -0.290 -3.281 365 HA LEU 45 HA LEU 45 12.520 1.840 -2.442 366 HB2 LEU 45 1HB LEU 45 13.077 -1.127 -2.480 367 HB3 LEU 45 2HB LEU 45 14.019 0.057 -1.595 368 HG LEU 45 HG LEU 45 11.086 -0.424 -1.093 369 HD11 LEU 45 1HD1 LEU 45 11.802 -1.711 0.863 370 HD12 LEU 45 2HD1 LEU 45 13.479 -1.579 0.330 371 HD13 LEU 45 3HD1 LEU 45 12.310 -2.471 -0.647 372 HD21 LEU 45 3HD2 LEU 45 13.239 0.978 0.488 373 HD22 LEU 45 1HD2 LEU 45 11.579 0.717 1.024 374 HD23 LEU 45 2HD2 LEU 45 11.903 1.746 -0.373 375 H ASN 46 H ASN 46 12.767 -0.368 -5.134 376 HA ASN 46 HA ASN 46 15.523 0.453 -5.657 377 HB2 ASN 46 1HB ASN 46 14.110 -1.623 -7.282 378 HB3 ASN 46 2HB ASN 46 15.805 -1.538 -6.814 379 HD21 ASN 46 2HD2 ASN 46 16.414 -2.226 -4.738 380 HD22 ASN 46 1HD2 ASN 46 15.382 -3.248 -3.785 381 H GLY 47 H GLY 47 13.115 2.092 -6.178 382 HA2 GLY 47 1HA GLY 47 12.585 3.652 -7.814 383 HA3 GLY 47 2HA GLY 47 13.745 2.875 -8.884 384 H GLY 48 H GLY 48 10.988 3.789 -9.412 385 HA2 GLY 48 1HA GLY 48 10.049 2.127 -11.242 386 HA3 GLY 48 2HA GLY 48 9.550 1.274 -9.789 387 H LEU 49 H LEU 49 7.464 1.670 -10.979 388 HA LEU 49 HA LEU 49 6.394 4.348 -10.870 389 HB2 LEU 49 1HB LEU 49 5.046 1.722 -11.503 390 HB3 LEU 49 2HB LEU 49 4.354 3.314 -11.754 391 HG LEU 49 HG LEU 49 6.809 2.257 -13.159 392 HD11 LEU 49 1HD1 LEU 49 3.975 2.587 -14.131 393 HD12 LEU 49 2HD1 LEU 49 4.817 1.061 -13.855 394 HD13 LEU 49 3HD1 LEU 49 5.360 2.149 -15.132 395 HD21 LEU 49 3HD2 LEU 49 5.200 4.773 -13.583 396 HD22 LEU 49 1HD2 LEU 49 6.551 4.230 -14.578 397 HD23 LEU 49 2HD2 LEU 49 6.821 4.683 -12.895 398 H GLU 50 H GLU 50 4.675 5.034 -9.589 399 HA GLU 50 HA GLU 50 4.586 3.808 -6.971 400 HB2 GLU 50 1HB GLU 50 3.359 6.315 -8.111 401 HB3 GLU 50 2HB GLU 50 3.033 5.760 -6.477 402 HG2 GLU 50 1HG GLU 50 5.408 5.916 -5.944 403 HG3 GLU 50 2HG GLU 50 5.738 6.470 -7.585 404 H LYS 51 H LYS 51 3.301 2.171 -6.605 405 HA LYS 51 HA LYS 51 0.962 1.693 -8.236 406 HB2 LYS 51 1HB LYS 51 2.230 0.170 -5.962 407 HB3 LYS 51 2HB LYS 51 0.728 -0.334 -6.720 408 HG2 LYS 51 1HG LYS 51 1.876 -0.554 -8.863 409 HG3 LYS 51 2HG LYS 51 3.386 -0.037 -8.108 410 HD2 LYS 51 1HD LYS 51 3.416 -1.975 -6.698 411 HD3 LYS 51 2HD LYS 51 1.801 -2.446 -7.227 412 HE2 LYS 51 1HE LYS 51 3.508 -3.804 -8.311 413 HE3 LYS 51 2HE LYS 51 2.643 -2.816 -9.487 414 HZ1 LYS 51 3HZ LYS 51 4.461 -1.341 -9.655 415 HZ2 LYS 51 1HZ LYS 51 5.108 -2.905 -9.764 416 HZ3 LYS 51 2HZ LYS 51 5.251 -2.028 -8.319 417 H THR 52 H THR 52 -0.869 2.698 -7.814 418 HA THR 52 HA THR 52 -1.451 3.549 -5.077 419 HB THR 52 HB THR 52 -2.913 4.283 -7.622 420 HG1 THR 52 HG1 THR 52 -0.484 5.007 -6.834 421 HG21 THR 52 3HG2 THR 52 -4.208 4.611 -5.561 422 HG22 THR 52 1HG2 THR 52 -3.771 6.153 -6.297 423 HG23 THR 52 2HG2 THR 52 -2.889 5.567 -4.886 424 H PHE 53 H PHE 53 -2.596 2.173 -3.896 425 HA PHE 53 HA PHE 53 -4.751 0.638 -5.203 426 HB2 PHE 53 1HB PHE 53 -3.141 -0.091 -2.743 427 HB3 PHE 53 2HB PHE 53 -4.481 -1.030 -3.394 428 HD1 PHE 53 HD1 PHE 53 -4.203 -1.618 -5.975 429 HD2 PHE 53 HD2 PHE 53 -1.020 -0.754 -3.290 430 HE1 PHE 53 HE1 PHE 53 -2.646 -2.844 -7.433 431 HE2 PHE 53 HE2 PHE 53 0.543 -1.975 -4.744 432 HZ PHE 53 HZ PHE 53 -0.269 -3.022 -6.820 433 H ARG 54 H ARG 54 -6.723 0.396 -4.015 434 HA ARG 54 HA ARG 54 -7.293 2.826 -2.523 435 HB2 ARG 54 1HB ARG 54 -8.702 2.024 -4.443 436 HB3 ARG 54 2HB ARG 54 -9.218 0.686 -3.429 437 HG2 ARG 54 1HG ARG 54 -10.486 2.032 -2.062 438 HG3 ARG 54 2HG ARG 54 -9.555 3.483 -2.451 439 HD2 ARG 54 1HD ARG 54 -11.471 2.033 -4.276 440 HD3 ARG 54 2HD ARG 54 -11.741 3.594 -3.497 441 HE ARG 54 HE ARG 54 -9.564 4.168 -4.845 442 HH11 ARG 54 1HH1 ARG 54 -12.362 2.355 -5.920 443 HH12 ARG 54 2HH1 ARG 54 -12.097 2.701 -7.603 444 HH21 ARG 54 1HH2 ARG 54 -9.206 4.634 -7.022 445 HH22 ARG 54 2HH2 ARG 54 -10.308 4.021 -8.234 446 H LEU 55 H LEU 55 -7.598 2.948 -0.413 447 HA LEU 55 HA LEU 55 -7.938 0.473 1.140 448 HB2 LEU 55 1HB LEU 55 -5.915 2.661 1.602 449 HB3 LEU 55 2HB LEU 55 -6.339 1.472 2.821 450 HG LEU 55 HG LEU 55 -5.093 0.861 0.137 451 HD11 LEU 55 1HD1 LEU 55 -3.548 1.973 1.659 452 HD12 LEU 55 2HD1 LEU 55 -3.114 0.277 1.442 453 HD13 LEU 55 3HD1 LEU 55 -3.928 0.797 2.917 454 HD21 LEU 55 3HD2 LEU 55 -4.863 -1.412 1.006 455 HD22 LEU 55 1HD2 LEU 55 -6.557 -0.932 0.908 456 HD23 LEU 55 2HD2 LEU 55 -5.733 -0.945 2.467 457 H GLN 56 H GLN 56 -9.327 0.615 2.794 458 HA GLN 56 HA GLN 56 -10.849 3.045 3.151 459 HB2 GLN 56 1HB GLN 56 -11.033 0.471 4.726 460 HB3 GLN 56 2HB GLN 56 -12.262 1.722 4.586 461 HG2 GLN 56 1HG GLN 56 -12.603 1.202 2.268 462 HG3 GLN 56 2HG GLN 56 -11.267 0.053 2.292 463 HE21 GLN 56 2HE2 GLN 56 -14.013 -0.391 1.575 464 HE22 GLN 56 1HE2 GLN 56 -14.597 -1.629 2.634 465 H ALA 57 H ALA 57 -11.387 3.616 5.566 466 HA ALA 57 HA ALA 57 -9.064 4.711 6.690 467 HB1 ALA 57 3HB ALA 57 -11.730 4.240 8.019 468 HB2 ALA 57 1HB ALA 57 -11.286 5.650 7.057 469 HB3 ALA 57 2HB ALA 57 -10.469 5.333 8.588 470 H GLN 58 H GLN 58 -10.965 1.884 7.700 471 HA GLN 58 HA GLN 58 -9.380 1.184 9.921 472 HB2 GLN 58 1HB GLN 58 -11.199 -0.448 8.154 473 HB3 GLN 58 2HB GLN 58 -10.406 -1.109 9.576 474 HG2 GLN 58 1HG GLN 58 -11.587 0.359 11.020 475 HG3 GLN 58 2HG GLN 58 -12.204 1.297 9.660 476 HE21 GLN 58 2HE2 GLN 58 -13.608 -0.130 11.822 477 HE22 GLN 58 1HE2 GLN 58 -14.696 -1.216 11.021 478 H GLN 59 H GLN 59 -9.060 0.500 6.506 479 HA GLN 59 HA GLN 59 -7.071 -1.549 6.868 480 HB2 GLN 59 1HB GLN 59 -7.834 -0.032 4.366 481 HB3 GLN 59 2HB GLN 59 -6.883 -1.508 4.433 482 HG2 GLN 59 1HG GLN 59 -8.785 -2.743 5.259 483 HG3 GLN 59 2HG GLN 59 -9.748 -1.267 5.326 484 HE21 GLN 59 2HE2 GLN 59 -10.295 -3.697 3.863 485 HE22 GLN 59 1HE2 GLN 59 -10.393 -3.247 2.193 486 H TYR 60 H TYR 60 -7.122 1.857 5.947 487 HA TYR 60 HA TYR 60 -4.423 2.183 5.324 488 HB2 TYR 60 1HB TYR 60 -6.009 3.906 4.768 489 HB3 TYR 60 2HB TYR 60 -6.440 4.131 6.459 490 HD1 TYR 60 HD1 TYR 60 -3.746 4.635 3.971 491 HD2 TYR 60 HD2 TYR 60 -5.189 5.573 7.862 492 HE1 TYR 60 HE1 TYR 60 -2.035 6.391 4.177 493 HE2 TYR 60 HE2 TYR 60 -3.488 7.332 8.078 494 HH TYR 60 HH TYR 60 -1.165 7.759 7.056 495 H HIS 61 H HIS 61 -6.067 2.166 8.440 496 HA HIS 61 HA HIS 61 -3.687 3.075 9.806 497 HB2 HIS 61 1HB HIS 61 -6.457 2.395 10.709 498 HB3 HIS 61 2HB HIS 61 -5.152 2.547 11.884 499 HD1 HIS 61 HD1 HIS 61 -3.659 4.943 11.186 500 HD2 HIS 61 HD2 HIS 61 -7.770 4.750 10.567 501 HE1 HIS 61 HE1 HIS 61 -4.443 7.332 11.087 502 HE2 HIS 61 HE2 HIS 61 -6.889 7.185 10.479 503 H ALA 62 H ALA 62 -3.876 0.414 8.347 504 HA ALA 62 HA ALA 62 -2.847 -1.255 10.526 505 HB1 ALA 62 3HB ALA 62 -3.263 -1.902 7.604 506 HB2 ALA 62 1HB ALA 62 -4.343 -2.344 8.927 507 HB3 ALA 62 2HB ALA 62 -2.723 -3.036 8.843 508 H LEU 63 H LEU 63 -1.873 1.025 8.291 509 HA LEU 63 HA LEU 63 0.935 0.355 8.684 510 HB2 LEU 63 1HB LEU 63 1.473 0.761 6.320 511 HB3 LEU 63 2HB LEU 63 0.447 -0.643 6.533 512 HG LEU 63 HG LEU 63 -0.716 2.025 5.762 513 HD11 LEU 63 1HD1 LEU 63 -0.573 1.320 3.428 514 HD12 LEU 63 2HD1 LEU 63 0.352 -0.102 3.912 515 HD13 LEU 63 3HD1 LEU 63 1.030 1.510 4.140 516 HD21 LEU 63 3HD2 LEU 63 -2.271 0.295 6.515 517 HD22 LEU 63 1HD2 LEU 63 -1.611 -0.824 5.322 518 HD23 LEU 63 2HD2 LEU 63 -2.470 0.622 4.792 519 H THR 64 H THR 64 2.318 2.239 7.767 520 HA THR 64 HA THR 64 0.949 4.782 8.370 521 HB THR 64 HB THR 64 3.864 4.382 8.958 522 HG1 THR 64 HG1 THR 64 3.346 2.925 10.397 523 HG21 THR 64 3HG2 THR 64 2.923 6.635 9.092 524 HG22 THR 64 1HG2 THR 64 3.406 6.062 10.688 525 HG23 THR 64 2HG2 THR 64 1.703 6.066 10.232 526 H VAL 65 H VAL 65 1.700 6.640 7.200 527 HA VAL 65 HA VAL 65 2.941 6.160 4.671 528 HB VAL 65 HB VAL 65 2.328 8.723 6.151 529 HG11 VAL 65 1HG1 VAL 65 4.317 9.090 4.777 530 HG12 VAL 65 2HG1 VAL 65 2.920 9.926 4.100 531 HG13 VAL 65 3HG1 VAL 65 3.480 8.420 3.375 532 HG21 VAL 65 3HG2 VAL 65 0.407 7.502 5.278 533 HG22 VAL 65 1HG2 VAL 65 1.151 7.457 3.679 534 HG23 VAL 65 2HG2 VAL 65 0.658 8.999 4.379 535 H GLY 66 H GLY 66 5.029 5.951 4.250 536 HA2 GLY 66 1HA GLY 66 7.339 6.387 4.498 537 HA3 GLY 66 2HA GLY 66 7.017 7.074 6.085 538 H ASP 67 H ASP 67 5.219 4.407 6.099 539 HA ASP 67 HA ASP 67 7.095 2.958 7.728 540 HB2 ASP 67 1HB ASP 67 4.386 3.146 7.760 541 HB3 ASP 67 2HB ASP 67 4.582 1.629 6.894 542 H GLN 68 H GLN 68 8.736 2.380 6.309 543 HA GLN 68 HA GLN 68 8.354 0.946 3.908 544 HB2 GLN 68 1HB GLN 68 10.711 0.938 5.807 545 HB3 GLN 68 2HB GLN 68 10.727 0.274 4.179 546 HG2 GLN 68 1HG GLN 68 10.289 2.496 3.267 547 HG3 GLN 68 2HG GLN 68 10.276 3.161 4.900 548 HE21 GLN 68 2HE2 GLN 68 12.018 3.791 2.644 549 HE22 GLN 68 1HE2 GLN 68 13.636 3.480 3.180 550 H GLY 69 H GLY 69 7.611 -1.054 3.636 551 HA2 GLY 69 1HA GLY 69 8.277 -3.166 5.480 552 HA3 GLY 69 2HA GLY 69 6.594 -2.666 5.564 553 H THR 70 H THR 70 6.777 -5.133 4.957 554 HA THR 70 HA THR 70 7.351 -5.694 2.205 555 HB THR 70 HB THR 70 5.894 -7.479 4.157 556 HG1 THR 70 HG1 THR 70 7.736 -7.813 5.171 557 HG21 THR 70 3HG2 THR 70 5.957 -8.246 1.831 558 HG22 THR 70 1HG2 THR 70 6.949 -9.275 2.865 559 HG23 THR 70 2HG2 THR 70 7.713 -8.078 1.819 560 H LEU 71 H LEU 71 5.939 -5.977 0.546 561 HA LEU 71 HA LEU 71 3.094 -5.457 1.102 562 HB2 LEU 71 1HB LEU 71 4.215 -3.667 -0.177 563 HB3 LEU 71 2HB LEU 71 4.687 -4.839 -1.392 564 HG LEU 71 HG LEU 71 2.270 -5.246 -1.862 565 HD11 LEU 71 1HD1 LEU 71 1.353 -4.530 0.271 566 HD12 LEU 71 2HD1 LEU 71 0.644 -3.607 -1.054 567 HD13 LEU 71 3HD1 LEU 71 1.887 -2.878 -0.038 568 HD21 LEU 71 3HD2 LEU 71 3.587 -3.750 -3.258 569 HD22 LEU 71 1HD2 LEU 71 3.233 -2.405 -2.173 570 HD23 LEU 71 2HD2 LEU 71 1.933 -3.160 -3.096 571 H SER 72 H SER 72 1.915 -7.207 0.877 572 HA SER 72 HA SER 72 2.854 -9.406 -0.797 573 HB2 SER 72 1HB SER 72 0.863 -10.586 0.312 574 HB3 SER 72 2HB SER 72 2.225 -10.158 1.346 575 HG SER 72 HG SER 72 0.273 -8.219 1.113 576 H TYR 73 H TYR 73 2.279 -9.338 -2.839 577 HA TYR 73 HA TYR 73 -0.520 -8.794 -3.495 578 HB2 TYR 73 1HB TYR 73 0.172 -7.425 -5.444 579 HB3 TYR 73 2HB TYR 73 0.615 -6.683 -3.913 580 HD1 TYR 73 HD2 TYR 73 2.954 -6.478 -3.258 581 HD2 TYR 73 HD1 TYR 73 1.876 -8.259 -6.971 582 HE1 TYR 73 HE2 TYR 73 5.278 -6.263 -4.031 583 HE2 TYR 73 HE1 TYR 73 4.198 -8.048 -7.754 584 HH TYR 73 HH TYR 73 6.776 -7.346 -5.692 585 H LYS 74 H LYS 74 -1.035 -9.505 -5.735 586 HA LYS 74 HA LYS 74 0.788 -11.617 -6.680 587 HB2 LYS 74 1HB LYS 74 -2.239 -11.725 -6.648 588 HB3 LYS 74 2HB LYS 74 -1.191 -12.927 -7.385 589 HG2 LYS 74 1HG LYS 74 -0.209 -13.367 -5.151 590 HG3 LYS 74 2HG LYS 74 -1.389 -12.254 -4.458 591 HD2 LYS 74 1HD LYS 74 -3.208 -13.661 -5.313 592 HD3 LYS 74 2HD LYS 74 -2.021 -14.778 -5.990 593 HE2 LYS 74 1HE LYS 74 -1.138 -15.147 -3.701 594 HE3 LYS 74 2HE LYS 74 -2.429 -14.123 -3.074 595 HZ1 LYS 74 3HZ LYS 74 -4.033 -15.694 -4.074 596 HZ2 LYS 74 1HZ LYS 74 -3.072 -16.401 -2.870 597 HZ3 LYS 74 2HZ LYS 74 -2.744 -16.706 -4.505 598 H GLY 75 H GLY 75 1.701 -10.365 -8.265 599 HA2 GLY 75 1HA GLY 75 1.852 -9.382 -10.344 600 HA3 GLY 75 2HA GLY 75 0.199 -9.907 -10.648 601 H THR 76 H THR 76 -1.238 -8.336 -10.895 602 HA THR 76 HA THR 76 -0.609 -5.658 -9.927 603 HB THR 76 HB THR 76 -2.725 -5.079 -11.246 604 HG1 THR 76 HG1 THR 76 -3.722 -6.655 -12.265 605 HG21 THR 76 3HG2 THR 76 -1.546 -5.177 -13.406 606 HG22 THR 76 1HG2 THR 76 -0.365 -6.283 -12.701 607 HG23 THR 76 2HG2 THR 76 -0.487 -4.627 -12.107 608 H ARG 77 H ARG 77 -2.099 -8.319 -8.712 609 HA ARG 77 HA ARG 77 -4.443 -7.001 -7.607 610 HB2 ARG 77 1HB ARG 77 -3.430 -9.837 -7.360 611 HB3 ARG 77 2HB ARG 77 -4.932 -9.251 -6.655 612 HG2 ARG 77 1HG ARG 77 -5.853 -8.810 -8.805 613 HG3 ARG 77 2HG ARG 77 -4.311 -9.142 -9.591 614 HD2 ARG 77 1HD ARG 77 -4.448 -11.473 -8.901 615 HD3 ARG 77 2HD ARG 77 -5.969 -11.148 -8.066 616 HE ARG 77 HE ARG 77 -6.781 -10.460 -10.384 617 HH11 ARG 77 1HH1 ARG 77 -4.405 -12.981 -9.815 618 HH12 ARG 77 2HH1 ARG 77 -4.762 -13.817 -11.295 619 HH21 ARG 77 1HH2 ARG 77 -7.244 -11.563 -12.325 620 HH22 ARG 77 2HH2 ARG 77 -6.369 -13.010 -12.722 621 H PHE 78 H PHE 78 -4.200 -5.779 -5.877 622 HA PHE 78 HA PHE 78 -2.128 -6.135 -3.939 623 HB2 PHE 78 1HB PHE 78 -3.002 -3.919 -4.339 624 HB3 PHE 78 2HB PHE 78 -4.635 -4.442 -3.950 625 HD1 PHE 78 HD1 PHE 78 -1.277 -3.858 -2.513 626 HD2 PHE 78 HD2 PHE 78 -5.426 -4.405 -1.741 627 HE1 PHE 78 HE1 PHE 78 -0.927 -3.190 -0.172 628 HE2 PHE 78 HE2 PHE 78 -5.081 -3.740 0.602 629 HZ PHE 78 HZ PHE 78 -2.829 -3.130 1.389 630 H VAL 79 H VAL 79 -2.115 -7.483 -2.250 631 HA VAL 79 HA VAL 79 -4.669 -8.706 -1.465 632 HB VAL 79 HB VAL 79 -1.860 -9.723 -0.994 633 HG11 VAL 79 1HG1 VAL 79 -2.964 -11.795 -0.271 634 HG12 VAL 79 2HG1 VAL 79 -4.534 -11.007 -0.432 635 HG13 VAL 79 3HG1 VAL 79 -3.376 -10.432 0.769 636 HG21 VAL 79 3HG2 VAL 79 -3.988 -10.648 -2.928 637 HG22 VAL 79 1HG2 VAL 79 -2.437 -11.439 -2.652 638 HG23 VAL 79 2HG2 VAL 79 -2.489 -9.820 -3.348 639 H GLY 80 H GLY 80 -1.616 -7.484 -0.054 640 HA2 GLY 80 1HA GLY 80 -2.959 -6.016 1.958 641 HA3 GLY 80 2HA GLY 80 -2.415 -7.550 2.621 642 H PHE 81 H PHE 81 -1.380 -5.532 3.860 643 HA PHE 81 HA PHE 81 1.347 -5.258 2.785 644 HB2 PHE 81 1HB PHE 81 0.081 -3.112 2.671 645 HB3 PHE 81 2HB PHE 81 -0.167 -3.195 4.410 646 HD1 PHE 81 HD1 PHE 81 2.291 -2.654 1.746 647 HD2 PHE 81 HD2 PHE 81 1.596 -2.650 5.943 648 HE1 PHE 81 HE1 PHE 81 4.409 -1.454 2.091 649 HE2 PHE 81 HE2 PHE 81 3.713 -1.451 6.296 650 HZ PHE 81 HZ PHE 81 5.123 -0.851 4.369 651 H VAL 82 H VAL 82 2.971 -5.760 4.190 652 HA VAL 82 HA VAL 82 2.179 -6.444 6.945 653 HB VAL 82 HB VAL 82 4.041 -8.072 5.200 654 HG11 VAL 82 1HG1 VAL 82 4.043 -9.668 7.057 655 HG12 VAL 82 2HG1 VAL 82 3.054 -8.559 8.008 656 HG13 VAL 82 3HG1 VAL 82 4.694 -8.103 7.546 657 HG21 VAL 82 3HG2 VAL 82 2.316 -9.810 5.307 658 HG22 VAL 82 1HG2 VAL 82 1.722 -8.352 4.515 659 HG23 VAL 82 2HG2 VAL 82 1.257 -8.702 6.180 660 H SER 83 H SER 83 3.116 -4.685 7.919 661 HA SER 83 HA SER 83 5.924 -4.105 7.456 662 HB2 SER 83 1HB SER 83 4.343 -2.266 7.981 663 HB3 SER 83 2HB SER 83 4.023 -3.002 9.550 664 HG SER 83 HG SER 83 5.821 -1.232 9.099 665 H ARG 84 H ARG 84 7.534 -4.308 9.159 666 HA ARG 84 HA ARG 84 7.520 -6.829 10.391 667 HB2 ARG 84 1HB ARG 84 9.217 -4.424 11.076 668 HB3 ARG 84 2HB ARG 84 9.536 -6.072 11.594 669 HG2 ARG 84 1HG ARG 84 9.683 -6.693 9.164 670 HG3 ARG 84 2HG ARG 84 9.640 -4.965 8.805 671 HD2 ARG 84 1HD ARG 84 11.619 -4.677 10.292 672 HD3 ARG 84 2HD ARG 84 11.698 -6.431 10.451 673 HE ARG 84 HE ARG 84 12.571 -4.848 8.227 674 HH11 ARG 84 1HH1 ARG 84 11.433 -8.023 9.194 675 HH12 ARG 84 2HH1 ARG 84 12.132 -8.830 7.814 676 HH21 ARG 84 1HH2 ARG 84 13.495 -5.889 6.435 677 HH22 ARG 84 2HH2 ARG 84 13.313 -7.614 6.243 678 H THR 85 H THR 85 7.134 -3.613 11.794 679 HA THR 85 HA THR 85 5.263 -4.627 13.734 680 HB THR 85 HB THR 85 7.856 -3.376 14.689 681 HG1 THR 85 HG1 THR 85 7.043 -5.967 14.344 682 HG21 THR 85 3HG2 THR 85 5.452 -4.319 16.263 683 HG22 THR 85 1HG2 THR 85 5.929 -2.639 16.014 684 HG23 THR 85 2HG2 THR 85 6.965 -3.721 16.945 685 HA PRO 86 HA PRO 86 4.178 -0.423 12.372 686 HB2 PRO 86 1HB PRO 86 1.456 -1.240 13.023 687 HB3 PRO 86 2HB PRO 86 2.133 -0.780 11.460 688 HG2 PRO 86 1HG PRO 86 1.371 -3.319 12.047 689 HG3 PRO 86 2HG PRO 86 2.681 -2.941 10.914 690 HD2 PRO 86 1HD PRO 86 2.840 -3.823 13.772 691 HD3 PRO 86 2HD PRO 86 3.837 -4.311 12.384 692 H ASP 87 H ASP 87 3.070 1.354 13.469 693 HA ASP 87 HA ASP 87 3.666 1.561 16.193 694 HB2 ASP 87 1HB ASP 87 1.838 3.190 14.429 695 HB3 ASP 87 2HB ASP 87 2.129 3.596 16.117 696 H ASN 88 H ASN 88 0.965 0.160 14.641 697 HA ASN 88 HA ASN 88 -0.970 0.344 16.691 698 HB2 ASN 88 1HB ASN 88 -1.322 -0.379 14.276 699 HB3 ASN 88 2HB ASN 88 -0.638 -1.934 14.727 700 HD21 ASN 88 2HD2 ASN 88 -3.248 -1.374 13.694 701 HD22 ASN 88 1HD2 ASN 88 -4.391 -1.904 14.876 702 H GLU 89 H GLU 89 1.741 -1.801 16.115 703 HA GLU 89 HA GLU 89 0.869 -3.720 18.098 704 HB2 GLU 89 1HB GLU 89 2.005 -4.344 15.934 705 HB3 GLU 89 2HB GLU 89 3.485 -3.660 16.594 706 HG2 GLU 89 1HG GLU 89 3.468 -5.272 18.391 707 HG3 GLU 89 2HG GLU 89 1.930 -5.922 17.824 708 H LEU 90 H LEU 90 2.611 -0.838 18.098 709 HA LEU 90 HA LEU 90 4.455 -1.381 20.199 710 HB2 LEU 90 1HB LEU 90 3.228 1.232 19.315 711 HB3 LEU 90 2HB LEU 90 4.562 1.082 20.443 712 HG LEU 90 HG LEU 90 4.602 0.292 17.530 713 HD11 LEU 90 1HD1 LEU 90 5.966 2.528 19.018 714 HD12 LEU 90 2HD1 LEU 90 4.622 2.699 17.889 715 HD13 LEU 90 3HD1 LEU 90 6.190 2.132 17.315 716 HD21 LEU 90 3HD2 LEU 90 5.990 -1.207 18.847 717 HD22 LEU 90 1HD2 LEU 90 6.771 0.170 19.624 718 HD23 LEU 90 2HD2 LEU 90 6.997 -0.113 17.898 719 H GLU 91 H GLU 91 1.096 -0.793 20.041 720 HA GLU 91 HA GLU 91 0.616 -0.046 22.725 721 HB2 GLU 91 1HB GLU 91 -0.985 0.061 20.747 722 HB3 GLU 91 2HB GLU 91 -1.184 -1.674 20.913 723 HG2 GLU 91 1HG GLU 91 -1.744 0.189 23.189 724 HG3 GLU 91 2HG GLU 91 -2.944 -0.140 21.941 725 H HIS 92 H HIS 92 0.840 -1.246 24.525 726 HA HIS 92 HA HIS 92 2.130 -3.788 24.250 727 HB2 HIS 92 1HB HIS 92 1.394 -2.113 26.639 728 HB3 HIS 92 2HB HIS 92 2.181 -3.682 26.791 729 HD1 HIS 92 HD1 HIS 92 2.785 -0.211 25.443 730 HD2 HIS 92 HD2 HIS 92 4.894 -3.684 26.313 731 HE1 HIS 92 HE1 HIS 92 5.216 0.396 25.211 732 HE2 HIS 92 HE2 HIS 92 6.463 -1.771 25.557 733 H HIS 93 H HIS 93 -1.023 -3.171 24.068 734 HA HIS 93 HA HIS 93 -2.856 -4.492 24.056 735 HB2 HIS 93 1HB HIS 93 -0.905 -6.747 24.581 736 HB3 HIS 93 2HB HIS 93 -2.570 -6.930 24.042 737 HD1 HIS 93 HD1 HIS 93 -2.114 -4.376 21.975 738 HD2 HIS 93 HD2 HIS 93 -0.018 -7.967 22.205 739 HE1 HIS 93 HE1 HIS 93 -1.093 -4.721 19.699 740 HE2 HIS 93 HE2 HIS 93 0.345 -6.781 19.939 741 H HIS 94 H HIS 94 -2.238 -3.165 26.401 742 HA HIS 94 HA HIS 94 -2.369 -4.863 28.678 743 HB2 HIS 94 1HB HIS 94 -2.906 -2.746 29.926 744 HB3 HIS 94 2HB HIS 94 -1.422 -2.695 28.987 745 HD1 HIS 94 HD1 HIS 94 -1.130 -0.658 27.638 746 HD2 HIS 94 HD2 HIS 94 -5.144 -1.416 28.426 747 HE1 HIS 94 HE1 HIS 94 -2.398 1.260 26.618 748 HE2 HIS 94 HE2 HIS 94 -4.829 0.678 26.942 749 H HIS 95 H HIS 95 -4.763 -3.697 26.502 750 HA HIS 95 HA HIS 95 -6.827 -4.917 28.176 751 HB2 HIS 95 1HB HIS 95 -6.744 -2.420 28.589 752 HB3 HIS 95 2HB HIS 95 -7.219 -2.200 26.910 753 HD1 HIS 95 HD1 HIS 95 -8.513 -3.330 30.230 754 HD2 HIS 95 HD2 HIS 95 -9.919 -2.700 26.365 755 HE1 HIS 95 HE1 HIS 95 -11.025 -3.391 30.398 756 HE2 HIS 95 HE2 HIS 95 -11.853 -2.852 28.080 757 H HIS 96 H HIS 96 -6.461 -6.559 26.480 758 HA HIS 96 HA HIS 96 -8.328 -6.058 24.272 759 HB2 HIS 96 1HB HIS 96 -5.546 -7.188 23.990 760 HB3 HIS 96 2HB HIS 96 -6.808 -7.526 22.814 761 HD1 HIS 96 HD1 HIS 96 -7.389 -5.681 21.139 762 HD2 HIS 96 HD2 HIS 96 -4.602 -4.527 24.002 763 HE1 HIS 96 HE1 HIS 96 -6.445 -3.497 20.327 764 HE2 HIS 96 HE2 HIS 96 -4.597 -2.954 21.954 765 H HIS 97 H HIS 97 -6.329 -8.526 25.855 766 HA HIS 97 HA HIS 97 -6.656 -10.709 26.341 767 HB2 HIS 97 1HB HIS 97 -9.521 -9.769 26.479 768 HB3 HIS 97 2HB HIS 97 -9.051 -11.424 26.843 769 HD1 HIS 97 HD1 HIS 97 -10.148 -8.901 28.736 770 HD2 HIS 97 HD2 HIS 97 -6.463 -10.834 28.733 771 HE1 HIS 97 HE1 HIS 97 -9.182 -8.531 31.030 772 HE2 HIS 97 HE2 HIS 97 -7.060 -9.894 31.068
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