NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
582297 | 2mji | 19727 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -3.478 1.417 17.074 2 H2 ALA 1 HT2 ALA 1 -2.355 0.355 17.820 3 H3 ALA 1 HT3 ALA 1 -3.682 0.972 18.716 4 HA ALA 1 HA ALA 1 -3.808 -1.373 17.883 5 HB1 ALA 1 HB1 ALA 1 -6.068 -1.230 18.024 6 HB2 ALA 1 HB2 ALA 1 -6.163 0.143 16.921 7 HB3 ALA 1 HB3 ALA 1 -5.674 0.391 18.598 8 H PHE 2 HN PHE 2 -2.145 -1.293 16.064 9 HA PHE 2 HA PHE 2 -3.275 -0.768 13.436 10 HB2 PHE 2 HB2 PHE 2 -0.578 -1.166 14.551 11 HB3 PHE 2 HB1 PHE 2 -0.822 -1.871 12.956 12 HD1 PHE 2 HD2 PHE 2 -2.314 -0.146 11.406 13 HD2 PHE 2 HD1 PHE 2 0.405 0.894 14.509 14 HE1 PHE 2 HE2 PHE 2 -1.991 2.064 10.376 15 HE2 PHE 2 HE1 PHE 2 0.733 3.107 13.486 16 HZ PHE 2 HZ PHE 2 -0.466 3.695 11.416 17 H ASP 3 HN ASP 3 -1.900 -3.526 15.222 18 HA ASP 3 HA ASP 3 -2.226 -5.508 13.316 19 HB2 ASP 3 HB2 ASP 3 -2.558 -5.771 16.313 20 HB3 ASP 3 HB1 ASP 3 -2.274 -7.101 15.195 21 H SER 4 HN SER 4 -4.021 -5.945 12.199 22 HA SER 4 HA SER 4 -6.296 -7.088 13.264 23 HB2 SER 4 HB2 SER 4 -6.305 -4.312 13.763 24 HB3 SER 4 HB1 SER 4 -7.446 -4.568 12.444 25 HG SER 4 HG SER 4 -8.771 -5.273 13.899 26 H THR 5 HN THR 5 -8.271 -6.773 11.660 27 HA THR 5 HA THR 5 -7.194 -7.265 8.997 28 HB THR 5 HB THR 5 -10.011 -7.525 10.084 29 HG1 THR 5 HG1 THR 5 -9.230 -9.306 10.844 30 HG21 THR 5 HG21 THR 5 -10.749 -8.335 8.111 31 HG22 THR 5 HG22 THR 5 -9.160 -8.933 7.631 32 HG23 THR 5 HG23 THR 5 -9.531 -7.214 7.501 33 H TRP 6 HN TRP 6 -7.103 -5.672 7.520 34 HA TRP 6 HA TRP 6 -8.876 -3.364 7.930 35 HB2 TRP 6 HB2 TRP 6 -6.088 -3.514 6.851 36 HB3 TRP 6 HB1 TRP 6 -7.063 -2.110 6.622 37 HD1 TRP 6 HD1 TRP 6 -7.189 -4.002 9.931 38 HE1 TRP 6 HE1 TRP 6 -6.162 -2.534 11.773 39 HE3 TRP 6 HE3 TRP 6 -5.373 -0.212 7.022 40 HZ2 TRP 6 HZ2 TRP 6 -4.766 -0.099 11.972 41 HZ3 TRP 6 HZ3 TRP 6 -4.199 1.650 8.119 42 HH2 TRP 6 HH2 TRP 6 -3.904 1.706 10.543 43 H LYS 7 HN LYS 7 -10.233 -2.806 6.450 44 HA LYS 7 HA LYS 7 -9.960 -3.915 3.735 45 HB2 LYS 7 HB2 LYS 7 -11.809 -5.074 4.517 46 HB3 LYS 7 HB1 LYS 7 -12.325 -3.761 5.560 47 HG2 LYS 7 HG2 LYS 7 -12.588 -2.771 2.958 48 HG3 LYS 7 HG1 LYS 7 -13.167 -4.433 2.891 49 HD2 LYS 7 HD2 LYS 7 -15.102 -3.472 3.565 50 HD3 LYS 7 HD1 LYS 7 -14.363 -3.645 5.157 51 HE2 LYS 7 HE2 LYS 7 -15.246 -1.416 4.939 52 HE3 LYS 7 HE1 LYS 7 -13.487 -1.335 4.951 53 HZ1 LYS 7 HZ1 LYS 7 -14.545 0.085 3.248 54 HZ2 LYS 7 HZ2 LYS 7 -15.135 -1.303 2.483 55 HZ3 LYS 7 HZ3 LYS 7 -13.468 -1.044 2.594 56 H VAL 8 HN VAL 8 -9.446 -2.380 2.384 57 HA VAL 8 HA VAL 8 -9.732 0.368 2.902 58 HB VAL 8 HB VAL 8 -8.156 -0.929 1.255 59 HG11 VAL 8 HG11 VAL 8 -10.389 -0.128 -0.615 60 HG12 VAL 8 HG12 VAL 8 -9.973 -1.784 -0.175 61 HG13 VAL 8 HG13 VAL 8 -8.822 -0.795 -1.072 62 HG21 VAL 8 HG21 VAL 8 -7.397 1.131 1.025 63 HG22 VAL 8 HG22 VAL 8 -8.941 1.765 1.589 64 HG23 VAL 8 HG23 VAL 8 -8.676 1.496 -0.133 65 H ASP 9 HN ASP 9 -11.224 1.873 2.267 66 HA ASP 9 HA ASP 9 -13.746 0.791 1.234 67 HB2 ASP 9 HB2 ASP 9 -13.886 1.973 3.368 68 HB3 ASP 9 HB1 ASP 9 -13.177 3.410 2.638 69 H ARG 10 HN ARG 10 -12.260 4.028 0.991 70 HA ARG 10 HA ARG 10 -12.804 3.913 -1.906 71 HB2 ARG 10 HB2 ARG 10 -13.028 6.415 -1.779 72 HB3 ARG 10 HB1 ARG 10 -14.302 5.514 -0.971 73 HG2 ARG 10 HG2 ARG 10 -13.053 5.877 1.174 74 HG3 ARG 10 HG1 ARG 10 -11.998 6.962 0.276 75 HD2 ARG 10 HD2 ARG 10 -13.656 8.309 1.321 76 HD3 ARG 10 HD1 ARG 10 -14.034 8.250 -0.399 77 HE ARG 10 HE ARG 10 -15.961 7.086 0.083 78 HH11 ARG 10 HH11 ARG 10 -13.969 7.276 2.944 79 HH12 ARG 10 HH12 ARG 10 -15.214 6.699 3.999 80 HH21 ARG 10 HH21 ARG 10 -17.596 6.326 1.470 81 HH22 ARG 10 HH22 ARG 10 -17.272 6.158 3.163 82 H SER 11 HN SER 11 -11.402 5.303 -3.238 83 HA SER 11 HA SER 11 -8.767 5.802 -2.063 84 HB2 SER 11 HB2 SER 11 -7.595 4.513 -3.630 85 HB3 SER 11 HB1 SER 11 -8.981 3.503 -3.237 86 HG SER 11 HG SER 11 -8.587 5.111 -5.531 87 H GLU 12 HN GLU 12 -7.370 7.107 -3.474 88 HA GLU 12 HA GLU 12 -8.809 8.703 -5.464 89 HB2 GLU 12 HB2 GLU 12 -7.642 9.669 -2.903 90 HB3 GLU 12 HB1 GLU 12 -7.427 10.684 -4.322 91 HG2 GLU 12 HG2 GLU 12 -10.156 9.682 -3.860 92 HG3 GLU 12 HG1 GLU 12 -9.540 10.833 -2.675 93 H ASN 13 HN ASN 13 -7.622 9.070 -7.235 94 HA ASN 13 HA ASN 13 -5.898 9.076 -8.699 95 HB2 ASN 13 HB2 ASN 13 -4.842 10.233 -6.226 96 HB3 ASN 13 HB1 ASN 13 -3.613 9.577 -7.292 97 HD21 ASN 13 HD21 ASN 13 -3.654 12.235 -6.770 98 HD22 ASN 13 HD22 ASN 13 -4.148 13.110 -8.176 99 H TYR 14 HN TYR 14 -6.510 6.633 -6.881 100 HA TYR 14 HA TYR 14 -4.158 5.199 -6.483 101 HB2 TYR 14 HB2 TYR 14 -6.478 4.572 -5.684 102 HB3 TYR 14 HB1 TYR 14 -6.795 3.986 -7.310 103 HD1 TYR 14 HD2 TYR 14 -5.059 2.251 -8.230 104 HD2 TYR 14 HD1 TYR 14 -5.633 3.107 -4.112 105 HE1 TYR 14 HE2 TYR 14 -4.038 0.089 -7.649 106 HE2 TYR 14 HE1 TYR 14 -4.614 0.950 -3.510 107 HH TYR 14 HH TYR 14 -4.216 -1.245 -4.531 108 H ASP 15 HN ASP 15 -6.273 5.441 -9.309 109 HA ASP 15 HA ASP 15 -4.951 3.636 -10.994 110 HB2 ASP 15 HB2 ASP 15 -7.183 4.955 -11.328 111 HB3 ASP 15 HB1 ASP 15 -6.145 6.195 -12.030 112 H LYS 16 HN LYS 16 -4.247 6.897 -10.033 113 HA LYS 16 HA LYS 16 -2.455 7.756 -11.948 114 HB2 LYS 16 HB2 LYS 16 -3.376 8.794 -9.670 115 HB3 LYS 16 HB1 LYS 16 -1.817 8.246 -9.080 116 HG2 LYS 16 HG2 LYS 16 -0.983 10.158 -9.802 117 HG3 LYS 16 HG1 LYS 16 -1.243 9.581 -11.441 118 HD2 LYS 16 HD2 LYS 16 -3.685 10.452 -10.996 119 HD3 LYS 16 HD1 LYS 16 -2.865 11.443 -9.786 120 HE2 LYS 16 HE2 LYS 16 -1.415 12.378 -11.484 121 HE3 LYS 16 HE1 LYS 16 -2.114 11.316 -12.706 122 HZ1 LYS 16 HZ1 LYS 16 -2.924 13.782 -12.397 123 HZ2 LYS 16 HZ2 LYS 16 -3.925 13.076 -11.230 124 HZ3 LYS 16 HZ3 LYS 16 -4.000 12.552 -12.836 125 H PHE 17 HN PHE 17 -1.915 5.696 -9.153 126 HA PHE 17 HA PHE 17 0.893 5.476 -9.579 127 HB2 PHE 17 HB2 PHE 17 -1.064 3.916 -7.890 128 HB3 PHE 17 HB1 PHE 17 0.657 3.532 -7.938 129 HD1 PHE 17 HD1 PHE 17 -0.798 6.888 -8.161 130 HD2 PHE 17 HD2 PHE 17 1.231 4.073 -5.665 131 HE1 PHE 17 HE1 PHE 17 -0.365 8.669 -6.557 132 HE2 PHE 17 HE2 PHE 17 1.670 5.870 -4.038 133 HZ PHE 17 HZ PHE 17 0.881 8.161 -4.480 134 H MET 18 HN MET 18 -1.886 3.726 -10.744 135 HA MET 18 HA MET 18 -0.572 1.416 -11.662 136 HB2 MET 18 HB2 MET 18 -3.141 2.794 -12.351 137 HB3 MET 18 HB1 MET 18 -2.592 1.420 -13.300 138 HG2 MET 18 HG2 MET 18 -4.167 0.801 -11.523 139 HG3 MET 18 HG1 MET 18 -2.602 0.019 -11.371 140 HE1 MET 18 HE1 MET 18 -2.073 0.185 -7.900 141 HE2 MET 18 HE2 MET 18 -0.814 0.798 -8.972 142 HE3 MET 18 HE3 MET 18 -1.851 -0.528 -9.498 143 H GLU 19 HN GLU 19 -0.978 4.639 -13.031 144 HA GLU 19 HA GLU 19 0.033 3.775 -15.608 145 HB2 GLU 19 HB2 GLU 19 -0.483 6.614 -14.742 146 HB3 GLU 19 HB1 GLU 19 -0.431 5.975 -16.380 147 HG2 GLU 19 HG2 GLU 19 -2.513 5.318 -14.307 148 HG3 GLU 19 HG1 GLU 19 -2.711 6.448 -15.646 149 H LYS 20 HN LYS 20 1.099 6.303 -13.290 150 HA LYS 20 HA LYS 20 3.557 6.777 -14.507 151 HB2 LYS 20 HB2 LYS 20 2.495 8.229 -12.815 152 HB3 LYS 20 HB1 LYS 20 2.888 7.048 -11.578 153 HG2 LYS 20 HG2 LYS 20 4.737 8.223 -11.275 154 HG3 LYS 20 HG1 LYS 20 5.315 7.485 -12.763 155 HD2 LYS 20 HD2 LYS 20 4.007 9.516 -13.849 156 HD3 LYS 20 HD1 LYS 20 4.302 10.246 -12.264 157 HE2 LYS 20 HE2 LYS 20 6.192 10.897 -13.373 158 HE3 LYS 20 HE1 LYS 20 6.742 9.376 -12.676 159 HZ1 LYS 20 HZ1 LYS 20 6.171 10.047 -15.461 160 HZ2 LYS 20 HZ2 LYS 20 5.810 8.473 -14.958 161 HZ3 LYS 20 HZ3 LYS 20 7.388 9.066 -14.813 162 H MET 21 HN MET 21 2.657 4.407 -12.052 163 HA MET 21 HA MET 21 5.405 3.467 -11.864 164 HB2 MET 21 HB2 MET 21 3.047 2.150 -10.549 165 HB3 MET 21 HB1 MET 21 4.728 2.152 -10.041 166 HG2 MET 21 HG2 MET 21 4.518 4.572 -9.546 167 HG3 MET 21 HG1 MET 21 2.800 4.456 -9.915 168 HE1 MET 21 HE1 MET 21 1.611 2.016 -8.734 169 HE2 MET 21 HE2 MET 21 2.162 1.443 -7.160 170 HE3 MET 21 HE3 MET 21 3.139 1.147 -8.599 171 H GLY 22 HN GLY 22 2.569 2.792 -13.650 172 HA2 GLY 22 HA2 GLY 22 2.206 1.264 -15.334 173 HA3 GLY 22 HA1 GLY 22 3.870 0.730 -15.135 174 H VAL 23 HN VAL 23 1.057 0.736 -12.957 175 HA VAL 23 HA VAL 23 1.685 -1.989 -12.158 176 HB VAL 23 HB VAL 23 -0.666 -0.372 -11.194 177 HG11 VAL 23 HG11 VAL 23 -0.754 -2.669 -10.541 178 HG12 VAL 23 HG12 VAL 23 -0.288 -1.718 -9.129 179 HG13 VAL 23 HG13 VAL 23 0.930 -2.638 -10.016 180 HG21 VAL 23 HG21 VAL 23 2.102 0.267 -10.879 181 HG22 VAL 23 HG22 VAL 23 1.436 -0.210 -9.317 182 HG23 VAL 23 HG23 VAL 23 0.691 1.101 -10.230 183 H ASN 24 HN ASN 24 0.754 -3.745 -12.975 184 HA ASN 24 HA ASN 24 -0.893 -3.770 -15.174 185 HB2 ASN 24 HB2 ASN 24 0.190 -5.782 -14.710 186 HB3 ASN 24 HB1 ASN 24 -0.363 -5.818 -13.041 187 HD21 ASN 24 HD21 ASN 24 -1.550 -5.957 -16.371 188 HD22 ASN 24 HD22 ASN 24 -2.828 -7.075 -16.055 189 H ILE 25 HN ILE 25 -3.088 -4.406 -15.464 190 HA ILE 25 HA ILE 25 -4.842 -3.081 -13.562 191 HB ILE 25 HB ILE 25 -5.093 -2.612 -15.965 192 HG12 ILE 25 HG12 ILE 25 -7.562 -4.084 -15.080 193 HG13 ILE 25 HG11 ILE 25 -7.026 -2.632 -14.240 194 HG21 ILE 25 HG21 ILE 25 -6.026 -4.289 -17.469 195 HG22 ILE 25 HG22 ILE 25 -5.962 -5.491 -16.180 196 HG23 ILE 25 HG23 ILE 25 -4.469 -4.811 -16.827 197 HD11 ILE 25 HD11 ILE 25 -7.007 -1.602 -16.631 198 HD12 ILE 25 HD12 ILE 25 -8.522 -1.775 -15.746 199 HD13 ILE 25 HD13 ILE 25 -8.095 -2.940 -16.999 200 H VAL 26 HN VAL 26 -4.352 -6.293 -14.940 201 HA VAL 26 HA VAL 26 -6.569 -7.614 -13.947 202 HB VAL 26 HB VAL 26 -3.801 -8.814 -14.078 203 HG11 VAL 26 HG11 VAL 26 -6.571 -9.904 -13.913 204 HG12 VAL 26 HG12 VAL 26 -5.104 -10.424 -13.083 205 HG13 VAL 26 HG13 VAL 26 -5.338 -10.813 -14.788 206 HG21 VAL 26 HG21 VAL 26 -3.839 -8.760 -16.309 207 HG22 VAL 26 HG22 VAL 26 -5.148 -7.587 -16.168 208 HG23 VAL 26 HG23 VAL 26 -5.516 -9.300 -16.368 209 H LYS 27 HN LYS 27 -3.471 -6.990 -12.336 210 HA LYS 27 HA LYS 27 -4.303 -8.295 -9.904 211 HB2 LYS 27 HB2 LYS 27 -1.927 -8.222 -10.609 212 HB3 LYS 27 HB1 LYS 27 -1.939 -6.475 -10.415 213 HG2 LYS 27 HG2 LYS 27 -2.877 -7.698 -8.008 214 HG3 LYS 27 HG1 LYS 27 -1.348 -8.435 -8.488 215 HD2 LYS 27 HD2 LYS 27 -0.475 -6.674 -7.369 216 HD3 LYS 27 HD1 LYS 27 -0.761 -5.842 -8.899 217 HE2 LYS 27 HE2 LYS 27 -2.495 -4.635 -8.076 218 HE3 LYS 27 HE1 LYS 27 -3.022 -5.926 -6.998 219 HZ1 LYS 27 HZ1 LYS 27 -2.194 -4.125 -5.694 220 HZ2 LYS 27 HZ2 LYS 27 -0.748 -4.068 -6.569 221 HZ3 LYS 27 HZ3 LYS 27 -1.084 -5.397 -5.579 222 H ARG 28 HN ARG 28 -4.214 -5.072 -11.218 223 HA ARG 28 HA ARG 28 -4.763 -3.693 -8.778 224 HB2 ARG 28 HB2 ARG 28 -3.674 -2.631 -10.728 225 HB3 ARG 28 HB1 ARG 28 -5.179 -2.785 -11.626 226 HG2 ARG 28 HG2 ARG 28 -5.403 -1.468 -9.023 227 HG3 ARG 28 HG1 ARG 28 -4.419 -0.618 -10.211 228 HD2 ARG 28 HD2 ARG 28 -7.121 -1.695 -10.900 229 HD3 ARG 28 HD1 ARG 28 -6.910 -0.138 -10.120 230 HE ARG 28 HE ARG 28 -5.330 -0.477 -12.495 231 HH11 ARG 28 HH11 ARG 28 -8.411 0.553 -11.219 232 HH12 ARG 28 HH12 ARG 28 -8.772 1.571 -12.572 233 HH21 ARG 28 HH21 ARG 28 -5.804 0.860 -14.276 234 HH22 ARG 28 HH22 ARG 28 -7.292 1.745 -14.308 235 H LYS 29 HN LYS 29 -6.690 -5.438 -11.024 236 HA LYS 29 HA LYS 29 -9.129 -4.289 -11.089 237 HB2 LYS 29 HB2 LYS 29 -8.096 -6.898 -11.418 238 HB3 LYS 29 HB1 LYS 29 -9.518 -7.047 -10.398 239 HG2 LYS 29 HG2 LYS 29 -10.102 -7.320 -12.717 240 HG3 LYS 29 HG1 LYS 29 -10.839 -5.852 -12.076 241 HD2 LYS 29 HD2 LYS 29 -9.610 -4.502 -13.414 242 HD3 LYS 29 HD1 LYS 29 -8.183 -5.532 -13.314 243 HE2 LYS 29 HE2 LYS 29 -10.610 -5.913 -15.051 244 HE3 LYS 29 HE1 LYS 29 -8.955 -5.592 -15.567 245 HZ1 LYS 29 HZ1 LYS 29 -8.610 -7.827 -14.171 246 HZ2 LYS 29 HZ2 LYS 29 -8.930 -7.811 -15.832 247 HZ3 LYS 29 HZ3 LYS 29 -10.186 -8.086 -14.733 248 H LEU 30 HN LEU 30 -8.097 -6.467 -8.450 249 HA LEU 30 HA LEU 30 -10.308 -5.455 -6.822 250 HB2 LEU 30 HB2 LEU 30 -8.442 -7.673 -6.043 251 HB3 LEU 30 HB1 LEU 30 -10.080 -7.378 -5.493 252 HG LEU 30 HG LEU 30 -9.272 -8.357 -8.231 253 HD11 LEU 30 HD11 LEU 30 -9.393 -9.813 -5.968 254 HD12 LEU 30 HD12 LEU 30 -9.764 -10.449 -7.570 255 HD13 LEU 30 HD13 LEU 30 -11.068 -9.921 -6.506 256 HD21 LEU 30 HD21 LEU 30 -11.815 -7.297 -7.148 257 HD22 LEU 30 HD22 LEU 30 -11.909 -8.730 -8.171 258 HD23 LEU 30 HD23 LEU 30 -11.173 -7.252 -8.790 259 H ALA 31 HN ALA 31 -6.893 -5.258 -7.152 260 HA ALA 31 HA ALA 31 -6.362 -4.430 -4.453 261 HB1 ALA 31 HB1 ALA 31 -4.117 -4.189 -5.115 262 HB2 ALA 31 HB2 ALA 31 -4.553 -4.013 -6.815 263 HB3 ALA 31 HB3 ALA 31 -4.726 -5.577 -6.017 264 H ALA 32 HN ALA 32 -7.604 -2.885 -7.230 265 HA ALA 32 HA ALA 32 -6.526 -0.336 -7.082 266 HB1 ALA 32 HB1 ALA 32 -8.454 0.441 -8.267 267 HB2 ALA 32 HB2 ALA 32 -9.386 -0.970 -7.765 268 HB3 ALA 32 HB3 ALA 32 -8.028 -1.159 -8.873 269 H HIS 33 HN HIS 33 -9.407 -1.582 -5.376 270 HA HIS 33 HA HIS 33 -9.060 -0.348 -2.977 271 HB2 HIS 33 HB2 HIS 33 -10.526 1.689 -3.144 272 HB3 HIS 33 HB1 HIS 33 -8.973 1.827 -3.957 273 HD1 HIS 33 HD1 HIS 33 -9.058 2.607 -6.315 274 HD2 HIS 33 HD2 HIS 33 -12.698 1.063 -5.042 275 HE1 HIS 33 HE1 HIS 33 -10.661 3.019 -8.208 276 HE2 HIS 33 HE2 HIS 33 -12.880 2.160 -7.378 277 H ASP 34 HN ASP 34 -11.474 -0.897 -5.487 278 HA ASP 34 HA ASP 34 -13.758 -1.040 -3.939 279 HB2 ASP 34 HB2 ASP 34 -14.541 -2.713 -5.748 280 HB3 ASP 34 HB1 ASP 34 -14.122 -1.077 -6.245 281 H ASN 35 HN ASN 35 -11.758 -3.828 -4.941 282 HA ASN 35 HA ASN 35 -12.772 -5.234 -2.583 283 HB2 ASN 35 HB2 ASN 35 -11.855 -6.592 -5.113 284 HB3 ASN 35 HB1 ASN 35 -12.747 -7.298 -3.770 285 HD21 ASN 35 HD21 ASN 35 -14.941 -6.976 -3.610 286 HD22 ASN 35 HD22 ASN 35 -15.884 -6.307 -4.893 287 H LEU 36 HN LEU 36 -10.797 -3.939 -1.770 288 HA LEU 36 HA LEU 36 -8.417 -5.652 -2.055 289 HB2 LEU 36 HB2 LEU 36 -8.124 -3.398 -3.037 290 HB3 LEU 36 HB1 LEU 36 -8.478 -2.691 -1.473 291 HG LEU 36 HG LEU 36 -6.031 -2.831 -2.141 292 HD11 LEU 36 HD11 LEU 36 -5.464 -2.778 0.037 293 HD12 LEU 36 HD12 LEU 36 -6.271 -4.304 0.398 294 HD13 LEU 36 HD13 LEU 36 -7.211 -2.817 0.273 295 HD21 LEU 36 HD21 LEU 36 -4.969 -4.792 -2.412 296 HD22 LEU 36 HD22 LEU 36 -6.584 -5.414 -2.752 297 HD23 LEU 36 HD23 LEU 36 -5.894 -5.588 -1.139 298 H LYS 37 HN LYS 37 -7.723 -6.603 -0.276 299 HA LYS 37 HA LYS 37 -8.676 -5.604 2.331 300 HB2 LYS 37 HB2 LYS 37 -9.683 -7.718 1.997 301 HB3 LYS 37 HB1 LYS 37 -8.214 -8.405 1.327 302 HG2 LYS 37 HG2 LYS 37 -8.559 -9.294 3.521 303 HG3 LYS 37 HG1 LYS 37 -7.161 -8.219 3.562 304 HD2 LYS 37 HD2 LYS 37 -8.212 -7.406 5.395 305 HD3 LYS 37 HD1 LYS 37 -9.095 -6.466 4.189 306 HE2 LYS 37 HE2 LYS 37 -10.656 -8.578 4.154 307 HE3 LYS 37 HE1 LYS 37 -9.969 -8.849 5.754 308 HZ1 LYS 37 HZ1 LYS 37 -11.486 -7.434 6.502 309 HZ2 LYS 37 HZ2 LYS 37 -11.951 -6.980 4.942 310 HZ3 LYS 37 HZ3 LYS 37 -10.663 -6.190 5.703 311 H LEU 38 HN LEU 38 -7.169 -4.789 3.534 312 HA LEU 38 HA LEU 38 -4.380 -5.635 3.132 313 HB2 LEU 38 HB2 LEU 38 -5.337 -3.187 2.760 314 HB3 LEU 38 HB1 LEU 38 -5.134 -3.080 4.493 315 HG LEU 38 HG LEU 38 -2.797 -3.218 4.360 316 HD11 LEU 38 HD11 LEU 38 -2.112 -4.941 3.055 317 HD12 LEU 38 HD12 LEU 38 -1.836 -3.638 1.895 318 HD13 LEU 38 HD13 LEU 38 -3.306 -4.611 1.800 319 HD21 LEU 38 HD21 LEU 38 -2.330 -1.716 2.170 320 HD22 LEU 38 HD22 LEU 38 -3.017 -1.080 3.667 321 HD23 LEU 38 HD23 LEU 38 -4.077 -1.508 2.325 322 H THR 39 HN THR 39 -3.794 -7.039 4.703 323 HA THR 39 HA THR 39 -5.031 -6.765 7.346 324 HB THR 39 HB THR 39 -3.417 -9.054 6.213 325 HG1 THR 39 HG1 THR 39 -6.208 -8.679 6.504 326 HG21 THR 39 HG21 THR 39 -4.540 -10.336 8.061 327 HG22 THR 39 HG22 THR 39 -4.953 -8.776 8.772 328 HG23 THR 39 HG23 THR 39 -3.262 -9.225 8.554 329 H ILE 40 HN ILE 40 -3.867 -6.609 9.233 330 HA ILE 40 HA ILE 40 -0.994 -6.018 8.934 331 HB ILE 40 HB ILE 40 -2.942 -4.679 10.824 332 HG12 ILE 40 HG12 ILE 40 -1.446 -3.503 8.470 333 HG13 ILE 40 HG11 ILE 40 -3.133 -4.006 8.416 334 HG21 ILE 40 HG21 ILE 40 -0.691 -4.942 11.772 335 HG22 ILE 40 HG22 ILE 40 -1.078 -3.251 11.455 336 HG23 ILE 40 HG23 ILE 40 -0.009 -4.130 10.362 337 HD11 ILE 40 HD11 ILE 40 -1.887 -1.695 9.819 338 HD12 ILE 40 HD12 ILE 40 -3.390 -2.385 10.432 339 HD13 ILE 40 HD13 ILE 40 -3.316 -1.752 8.787 340 H THR 41 HN THR 41 0.307 -7.242 10.104 341 HA THR 41 HA THR 41 -0.672 -8.413 12.611 342 HB THR 41 HB THR 41 1.144 -10.107 10.995 343 HG1 THR 41 HG1 THR 41 -1.567 -9.680 10.297 344 HG21 THR 41 HG21 THR 41 0.034 -11.895 11.958 345 HG22 THR 41 HG22 THR 41 -1.416 -10.947 12.286 346 HG23 THR 41 HG23 THR 41 0.044 -10.684 13.240 347 H GLN 42 HN GLN 42 0.621 -6.393 13.168 348 HA GLN 42 HA GLN 42 3.335 -6.113 12.836 349 HB2 GLN 42 HB2 GLN 42 1.882 -5.444 15.393 350 HB3 GLN 42 HB1 GLN 42 3.330 -4.679 14.755 351 HG2 GLN 42 HG2 GLN 42 1.911 -3.984 12.772 352 HG3 GLN 42 HG1 GLN 42 0.518 -4.477 13.732 353 HE21 GLN 42 HE21 GLN 42 1.637 -1.834 12.720 354 HE22 GLN 42 HE22 GLN 42 1.607 -0.813 14.114 355 H GLU 43 HN GLU 43 4.989 -7.333 13.318 356 HA GLU 43 HA GLU 43 4.930 -8.961 15.767 357 HB2 GLU 43 HB2 GLU 43 5.057 -9.894 13.061 358 HB3 GLU 43 HB1 GLU 43 6.586 -10.248 13.854 359 HG2 GLU 43 HG2 GLU 43 3.840 -11.105 14.725 360 HG3 GLU 43 HG1 GLU 43 5.141 -12.125 14.111 361 H GLY 44 HN GLY 44 6.295 -7.765 16.996 362 HA2 GLY 44 HA2 GLY 44 8.269 -6.851 17.732 363 HA3 GLY 44 HA1 GLY 44 9.066 -7.886 16.559 364 H ASN 45 HN ASN 45 10.434 -6.636 15.372 365 HA ASN 45 HA ASN 45 9.698 -3.884 14.783 366 HB2 ASN 45 HB2 ASN 45 11.996 -3.895 13.644 367 HB3 ASN 45 HB1 ASN 45 11.962 -4.071 15.392 368 HD21 ASN 45 HD21 ASN 45 12.179 -5.876 12.378 369 HD22 ASN 45 HD22 ASN 45 13.109 -7.185 13.017 370 H LYS 46 HN LYS 46 8.535 -6.482 13.541 371 HA LYS 46 HA LYS 46 8.570 -5.440 10.809 372 HB2 LYS 46 HB2 LYS 46 9.369 -7.321 9.842 373 HB3 LYS 46 HB1 LYS 46 10.048 -7.628 11.430 374 HG2 LYS 46 HG2 LYS 46 9.053 -9.631 10.964 375 HG3 LYS 46 HG1 LYS 46 7.772 -8.824 11.861 376 HD2 LYS 46 HD2 LYS 46 6.402 -9.041 10.134 377 HD3 LYS 46 HD1 LYS 46 7.528 -8.152 9.105 378 HE2 LYS 46 HE2 LYS 46 7.113 -10.316 8.136 379 HE3 LYS 46 HE1 LYS 46 8.775 -10.251 8.724 380 HZ1 LYS 46 HZ1 LYS 46 6.533 -11.854 9.661 381 HZ2 LYS 46 HZ2 LYS 46 7.568 -11.249 10.855 382 HZ3 LYS 46 HZ3 LYS 46 8.184 -12.221 9.616 383 H PHE 47 HN PHE 47 6.649 -5.500 9.765 384 HA PHE 47 HA PHE 47 4.386 -6.672 11.246 385 HB2 PHE 47 HB2 PHE 47 4.393 -4.367 9.293 386 HB3 PHE 47 HB1 PHE 47 2.982 -4.996 10.119 387 HD1 PHE 47 HD2 PHE 47 5.271 -5.286 12.595 388 HD2 PHE 47 HD1 PHE 47 3.361 -2.232 10.334 389 HE1 PHE 47 HE2 PHE 47 5.653 -3.699 14.429 390 HE2 PHE 47 HE1 PHE 47 3.738 -0.641 12.166 391 HZ PHE 47 HZ PHE 47 4.885 -1.371 14.217 392 H THR 48 HN THR 48 3.143 -8.167 10.260 393 HA THR 48 HA THR 48 3.897 -9.025 7.573 394 HB THR 48 HB THR 48 1.720 -10.360 9.115 395 HG1 THR 48 HG1 THR 48 3.105 -11.268 10.532 396 HG21 THR 48 HG21 THR 48 3.702 -11.096 7.093 397 HG22 THR 48 HG22 THR 48 2.101 -11.761 7.420 398 HG23 THR 48 HG23 THR 48 3.485 -12.279 8.383 399 H VAL 49 HN VAL 49 2.595 -8.881 5.787 400 HA VAL 49 HA VAL 49 -0.014 -7.560 6.170 401 HB VAL 49 HB VAL 49 1.720 -7.288 3.721 402 HG11 VAL 49 HG11 VAL 49 -0.331 -5.290 4.433 403 HG12 VAL 49 HG12 VAL 49 -0.925 -6.872 3.928 404 HG13 VAL 49 HG13 VAL 49 0.125 -5.941 2.859 405 HG21 VAL 49 HG21 VAL 49 1.429 -4.909 5.363 406 HG22 VAL 49 HG22 VAL 49 2.872 -5.617 4.641 407 HG23 VAL 49 HG23 VAL 49 2.287 -6.205 6.195 408 H LYS 50 HN LYS 50 -1.589 -8.958 5.819 409 HA LYS 50 HA LYS 50 -1.261 -10.973 3.702 410 HB2 LYS 50 HB2 LYS 50 -1.724 -11.810 6.006 411 HB3 LYS 50 HB1 LYS 50 -3.252 -10.945 5.978 412 HG2 LYS 50 HG2 LYS 50 -3.788 -13.158 5.452 413 HG3 LYS 50 HG1 LYS 50 -3.816 -12.295 3.913 414 HD2 LYS 50 HD2 LYS 50 -1.634 -13.140 3.342 415 HD3 LYS 50 HD1 LYS 50 -1.465 -13.884 4.933 416 HE2 LYS 50 HE2 LYS 50 -3.804 -14.632 3.253 417 HE3 LYS 50 HE1 LYS 50 -2.223 -15.284 2.828 418 HZ1 LYS 50 HZ1 LYS 50 -3.851 -16.448 4.559 419 HZ2 LYS 50 HZ2 LYS 50 -2.985 -15.466 5.630 420 HZ3 LYS 50 HZ3 LYS 50 -2.167 -16.580 4.656 421 H GLU 51 HN GLU 51 -2.150 -10.346 1.838 422 HA GLU 51 HA GLU 51 -4.465 -8.569 1.904 423 HB2 GLU 51 HB2 GLU 51 -2.997 -9.428 -0.573 424 HB3 GLU 51 HB1 GLU 51 -3.983 -7.994 -0.330 425 HG2 GLU 51 HG2 GLU 51 -2.107 -7.523 1.506 426 HG3 GLU 51 HG1 GLU 51 -1.163 -8.503 0.385 427 H SER 52 HN SER 52 -6.444 -9.124 1.270 428 HA SER 52 HA SER 52 -6.835 -11.852 0.231 429 HB2 SER 52 HB2 SER 52 -7.703 -11.240 2.596 430 HB3 SER 52 HB1 SER 52 -8.946 -10.327 1.740 431 HG SER 52 HG SER 52 -9.496 -12.284 0.658 432 H SER 53 HN SER 53 -8.149 -12.148 -1.513 433 HA SER 53 HA SER 53 -9.705 -9.928 -2.558 434 HB2 SER 53 HB2 SER 53 -7.095 -10.528 -3.559 435 HB3 SER 53 HB1 SER 53 -8.274 -10.951 -4.799 436 HG SER 53 HG SER 53 -7.460 -8.512 -3.972 437 H ALA 54 HN ALA 54 -10.833 -10.652 -4.660 438 HA ALA 54 HA ALA 54 -12.483 -12.800 -4.143 439 HB1 ALA 54 HB1 ALA 54 -11.780 -11.749 -6.880 440 HB2 ALA 54 HB2 ALA 54 -12.950 -11.014 -5.784 441 HB3 ALA 54 HB3 ALA 54 -13.240 -12.630 -6.429 442 H PHE 55 HN PHE 55 -10.111 -12.837 -6.807 443 HA PHE 55 HA PHE 55 -9.713 -15.708 -6.273 444 HB2 PHE 55 HB2 PHE 55 -10.832 -14.873 -8.490 445 HB3 PHE 55 HB1 PHE 55 -9.179 -14.490 -8.958 446 HD1 PHE 55 HD2 PHE 55 -7.451 -16.404 -8.734 447 HD2 PHE 55 HD1 PHE 55 -11.664 -16.998 -8.840 448 HE1 PHE 55 HE2 PHE 55 -7.101 -18.743 -9.412 449 HE2 PHE 55 HE1 PHE 55 -11.321 -19.338 -9.518 450 HZ PHE 55 HZ PHE 55 -9.037 -20.213 -9.805 451 H ARG 56 HN ARG 56 -8.192 -12.631 -6.820 452 HA ARG 56 HA ARG 56 -5.543 -13.790 -7.064 453 HB2 ARG 56 HB2 ARG 56 -6.680 -11.448 -7.971 454 HB3 ARG 56 HB1 ARG 56 -5.696 -10.900 -6.621 455 HG2 ARG 56 HG2 ARG 56 -4.397 -12.773 -8.489 456 HG3 ARG 56 HG1 ARG 56 -4.778 -11.171 -9.125 457 HD2 ARG 56 HD2 ARG 56 -3.526 -10.113 -7.373 458 HD3 ARG 56 HD1 ARG 56 -3.281 -11.656 -6.555 459 HE ARG 56 HE ARG 56 -1.729 -10.595 -8.683 460 HH11 ARG 56 HH11 ARG 56 -2.958 -13.592 -7.383 461 HH12 ARG 56 HH12 ARG 56 -1.678 -14.550 -8.048 462 HH21 ARG 56 HH21 ARG 56 -0.045 -11.854 -9.558 463 HH22 ARG 56 HH22 ARG 56 -0.024 -13.564 -9.282 464 H ASN 57 HN ASN 57 -3.816 -13.320 -5.605 465 HA ASN 57 HA ASN 57 -4.645 -12.504 -2.907 466 HB2 ASN 57 HB2 ASN 57 -3.420 -15.076 -3.756 467 HB3 ASN 57 HB1 ASN 57 -2.828 -14.365 -2.258 468 HD21 ASN 57 HD21 ASN 57 -4.094 -14.384 -0.470 469 HD22 ASN 57 HD22 ASN 57 -5.633 -15.163 -0.389 470 H ILE 58 HN ILE 58 -3.045 -11.517 -1.650 471 HA ILE 58 HA ILE 58 -0.408 -11.111 -2.825 472 HB ILE 58 HB ILE 58 -1.855 -8.660 -1.894 473 HG12 ILE 58 HG12 ILE 58 -1.871 -9.623 -4.762 474 HG13 ILE 58 HG11 ILE 58 -3.245 -9.787 -3.675 475 HG21 ILE 58 HG21 ILE 58 -0.271 -7.706 -3.686 476 HG22 ILE 58 HG22 ILE 58 0.524 -9.278 -3.600 477 HG23 ILE 58 HG23 ILE 58 0.417 -8.265 -2.161 478 HD11 ILE 58 HD11 ILE 58 -2.032 -7.277 -4.772 479 HD12 ILE 58 HD12 ILE 58 -3.135 -7.271 -3.397 480 HD13 ILE 58 HD13 ILE 58 -3.679 -7.880 -4.961 481 H GLU 59 HN GLU 59 1.146 -10.244 -1.330 482 HA GLU 59 HA GLU 59 0.505 -9.728 1.388 483 HB2 GLU 59 HB2 GLU 59 0.097 -12.080 1.562 484 HB3 GLU 59 HB1 GLU 59 1.565 -12.464 0.676 485 HG2 GLU 59 HG2 GLU 59 2.736 -12.542 2.548 486 HG3 GLU 59 HG1 GLU 59 2.220 -10.919 2.995 487 H VAL 60 HN VAL 60 2.244 -8.912 2.524 488 HA VAL 60 HA VAL 60 4.932 -9.178 1.509 489 HB VAL 60 HB VAL 60 4.175 -7.423 0.037 490 HG11 VAL 60 HG11 VAL 60 3.287 -5.305 0.872 491 HG12 VAL 60 HG12 VAL 60 3.331 -5.932 2.519 492 HG13 VAL 60 HG13 VAL 60 2.253 -6.659 1.329 493 HG21 VAL 60 HG21 VAL 60 5.863 -6.296 2.272 494 HG22 VAL 60 HG22 VAL 60 5.727 -5.619 0.649 495 HG23 VAL 60 HG23 VAL 60 6.446 -7.212 0.882 496 H VAL 61 HN VAL 61 6.197 -9.330 3.231 497 HA VAL 61 HA VAL 61 5.277 -8.551 5.830 498 HB VAL 61 HB VAL 61 6.610 -10.256 6.347 499 HG11 VAL 61 HG11 VAL 61 8.331 -11.207 4.865 500 HG12 VAL 61 HG12 VAL 61 8.040 -9.884 3.737 501 HG13 VAL 61 HG13 VAL 61 6.752 -11.034 4.102 502 HG21 VAL 61 HG21 VAL 61 7.992 -8.423 7.210 503 HG22 VAL 61 HG22 VAL 61 8.899 -8.407 5.698 504 HG23 VAL 61 HG23 VAL 61 8.967 -9.819 6.751 505 H PHE 62 HN PHE 62 6.255 -6.998 7.222 506 HA PHE 62 HA PHE 62 7.820 -4.932 5.801 507 HB2 PHE 62 HB2 PHE 62 5.578 -4.528 7.795 508 HB3 PHE 62 HB1 PHE 62 6.630 -3.245 7.218 509 HD1 PHE 62 HD1 PHE 62 6.508 -4.805 4.334 510 HD2 PHE 62 HD2 PHE 62 3.738 -3.022 7.022 511 HE1 PHE 62 HE1 PHE 62 4.969 -4.391 2.463 512 HE2 PHE 62 HE2 PHE 62 2.193 -2.600 5.156 513 HZ PHE 62 HZ PHE 62 2.807 -3.285 2.872 514 H GLU 63 HN GLU 63 9.278 -3.749 7.040 515 HA GLU 63 HA GLU 63 9.754 -4.577 9.777 516 HB2 GLU 63 HB2 GLU 63 10.951 -6.110 8.046 517 HB3 GLU 63 HB1 GLU 63 12.041 -4.748 7.858 518 HG2 GLU 63 HG2 GLU 63 12.546 -4.834 10.256 519 HG3 GLU 63 HG1 GLU 63 11.447 -6.203 10.427 520 H LEU 64 HN LEU 64 10.052 -2.760 10.883 521 HA LEU 64 HA LEU 64 10.458 -0.258 9.697 522 HB2 LEU 64 HB2 LEU 64 11.086 -1.010 12.550 523 HB3 LEU 64 HB1 LEU 64 10.754 0.601 11.936 524 HG LEU 64 HG LEU 64 8.786 -1.688 12.159 525 HD11 LEU 64 HD11 LEU 64 9.464 -0.339 14.215 526 HD12 LEU 64 HD12 LEU 64 7.743 -0.435 13.844 527 HD13 LEU 64 HD13 LEU 64 8.651 1.024 13.446 528 HD21 LEU 64 HD21 LEU 64 8.543 -0.244 10.095 529 HD22 LEU 64 HD22 LEU 64 8.211 1.101 11.185 530 HD23 LEU 64 HD23 LEU 64 7.147 -0.306 11.170 531 H GLY 65 HN GLY 65 12.197 0.236 8.539 532 HA2 GLY 65 HA2 GLY 65 14.447 1.077 8.581 533 HA3 GLY 65 HA1 GLY 65 14.836 -0.130 9.801 534 H VAL 66 HN VAL 66 12.918 -0.973 7.051 535 HA VAL 66 HA VAL 66 15.230 -2.166 5.698 536 HB VAL 66 HB VAL 66 12.664 -3.655 6.272 537 HG11 VAL 66 HG11 VAL 66 15.132 -4.332 4.707 538 HG12 VAL 66 HG12 VAL 66 13.441 -4.465 4.223 539 HG13 VAL 66 HG13 VAL 66 14.112 -5.590 5.404 540 HG21 VAL 66 HG21 VAL 66 15.431 -4.073 7.395 541 HG22 VAL 66 HG22 VAL 66 14.010 -5.060 7.731 542 HG23 VAL 66 HG23 VAL 66 14.064 -3.380 8.267 543 H THR 67 HN THR 67 14.752 -2.801 3.478 544 HA THR 67 HA THR 67 13.149 -0.768 2.233 545 HB THR 67 HB THR 67 15.207 -2.724 1.355 546 HG1 THR 67 HG1 THR 67 16.251 -0.938 0.882 547 HG21 THR 67 HG21 THR 67 13.573 -3.101 -0.372 548 HG22 THR 67 HG22 THR 67 14.878 -2.100 -1.008 549 HG23 THR 67 HG23 THR 67 13.334 -1.365 -0.573 550 H PHE 68 HN PHE 68 11.487 -1.065 0.774 551 HA PHE 68 HA PHE 68 9.779 -3.339 1.280 552 HB2 PHE 68 HB2 PHE 68 9.481 -0.631 0.199 553 HB3 PHE 68 HB1 PHE 68 8.549 -1.827 -0.684 554 HD1 PHE 68 HD1 PHE 68 9.025 -2.656 2.773 555 HD2 PHE 68 HD2 PHE 68 6.610 -0.386 0.100 556 HE1 PHE 68 HE1 PHE 68 7.251 -2.547 4.464 557 HE2 PHE 68 HE2 PHE 68 4.832 -0.281 1.782 558 HZ PHE 68 HZ PHE 68 5.151 -1.359 3.974 559 H ASN 69 HN ASN 69 8.910 -4.668 -0.394 560 HA ASN 69 HA ASN 69 10.449 -4.706 -2.892 561 HB2 ASN 69 HB2 ASN 69 10.209 -6.902 -0.876 562 HB3 ASN 69 HB1 ASN 69 10.321 -7.318 -2.583 563 HD21 ASN 69 HD21 ASN 69 12.261 -7.389 -3.495 564 HD22 ASN 69 HD22 ASN 69 13.727 -6.829 -2.773 565 H TYR 70 HN TYR 70 9.208 -4.878 -4.621 566 HA TYR 70 HA TYR 70 6.792 -6.458 -4.600 567 HB2 TYR 70 HB2 TYR 70 6.666 -3.627 -4.168 568 HB3 TYR 70 HB1 TYR 70 5.953 -3.995 -5.734 569 HD1 TYR 70 HD2 TYR 70 4.776 -6.667 -5.174 570 HD2 TYR 70 HD1 TYR 70 4.815 -3.113 -2.836 571 HE1 TYR 70 HE2 TYR 70 2.703 -7.383 -4.061 572 HE2 TYR 70 HE1 TYR 70 2.743 -3.820 -1.716 573 HH TYR 70 HH TYR 70 0.761 -6.211 -2.855 574 H ASN 71 HN ASN 71 9.228 -6.715 -5.959 575 HA ASN 71 HA ASN 71 9.092 -5.660 -8.597 576 HB2 ASN 71 HB2 ASN 71 10.695 -7.872 -7.327 577 HB3 ASN 71 HB1 ASN 71 10.810 -7.517 -9.048 578 HD21 ASN 71 HD21 ASN 71 12.606 -6.450 -9.424 579 HD22 ASN 71 HD22 ASN 71 13.232 -5.143 -8.484 580 H LEU 72 HN LEU 72 7.588 -6.189 -10.028 581 HA LEU 72 HA LEU 72 6.952 -9.013 -10.433 582 HB2 LEU 72 HB2 LEU 72 5.245 -7.575 -8.962 583 HB3 LEU 72 HB1 LEU 72 4.667 -7.119 -10.553 584 HG LEU 72 HG LEU 72 4.590 -9.684 -10.992 585 HD11 LEU 72 HD11 LEU 72 3.985 -10.886 -8.847 586 HD12 LEU 72 HD12 LEU 72 4.737 -9.537 -7.994 587 HD13 LEU 72 HD13 LEU 72 5.695 -10.531 -9.092 588 HD21 LEU 72 HD21 LEU 72 2.312 -9.767 -10.167 589 HD22 LEU 72 HD22 LEU 72 2.645 -8.185 -10.874 590 HD23 LEU 72 HD23 LEU 72 2.616 -8.380 -9.121 591 H ALA 73 HN ALA 73 7.935 -9.093 -12.402 592 HA ALA 73 HA ALA 73 7.952 -7.138 -14.374 593 HB1 ALA 73 HB1 ALA 73 8.203 -9.239 -15.925 594 HB2 ALA 73 HB2 ALA 73 8.328 -10.094 -14.388 595 HB3 ALA 73 HB3 ALA 73 9.471 -8.809 -14.777 596 H ASP 74 HN ASP 74 5.458 -9.391 -13.492 597 HA ASP 74 HA ASP 74 3.956 -9.241 -15.900 598 HB2 ASP 74 HB2 ASP 74 3.435 -10.214 -13.123 599 HB3 ASP 74 HB1 ASP 74 2.065 -9.969 -14.202 600 H GLY 75 HN GLY 75 4.131 -7.289 -13.005 601 HA2 GLY 75 HA2 GLY 75 2.093 -5.501 -14.178 602 HA3 GLY 75 HA1 GLY 75 2.183 -5.808 -12.451 603 H THR 76 HN THR 76 4.185 -5.143 -11.348 604 HA THR 76 HA THR 76 5.881 -3.231 -12.674 605 HB THR 76 HB THR 76 3.792 -1.970 -12.148 606 HG1 THR 76 HG1 THR 76 6.000 -1.077 -10.618 607 HG21 THR 76 HG21 THR 76 3.002 -1.580 -10.051 608 HG22 THR 76 HG22 THR 76 4.554 -1.914 -9.282 609 HG23 THR 76 HG23 THR 76 3.559 -3.245 -9.875 610 H GLU 77 HN GLU 77 7.491 -2.284 -11.142 611 HA GLU 77 HA GLU 77 7.975 -4.055 -8.840 612 HB2 GLU 77 HB2 GLU 77 10.140 -2.943 -10.627 613 HB3 GLU 77 HB1 GLU 77 10.320 -4.126 -9.340 614 HG2 GLU 77 HG2 GLU 77 9.507 -5.839 -10.606 615 HG3 GLU 77 HG1 GLU 77 8.513 -4.778 -11.603 616 H LEU 78 HN LEU 78 8.087 -2.968 -6.989 617 HA LEU 78 HA LEU 78 9.195 -0.252 -7.011 618 HB2 LEU 78 HB2 LEU 78 6.486 -1.110 -6.177 619 HB3 LEU 78 HB1 LEU 78 7.289 0.040 -5.132 620 HG LEU 78 HG LEU 78 7.557 0.923 -7.835 621 HD11 LEU 78 HD11 LEU 78 4.705 1.083 -7.270 622 HD12 LEU 78 HD12 LEU 78 5.262 -0.554 -7.630 623 HD13 LEU 78 HD13 LEU 78 5.545 0.748 -8.786 624 HD21 LEU 78 HD21 LEU 78 6.215 2.844 -6.943 625 HD22 LEU 78 HD22 LEU 78 7.714 2.477 -6.092 626 HD23 LEU 78 HD23 LEU 78 6.164 1.977 -5.409 627 H ARG 79 HN ARG 79 10.739 -0.009 -5.559 628 HA ARG 79 HA ARG 79 10.736 -1.689 -3.133 629 HB2 ARG 79 HB2 ARG 79 13.216 -0.831 -4.619 630 HB3 ARG 79 HB1 ARG 79 13.096 -2.006 -3.312 631 HG2 ARG 79 HG2 ARG 79 11.467 -3.156 -5.116 632 HG3 ARG 79 HG1 ARG 79 12.584 -2.319 -6.195 633 HD2 ARG 79 HD2 ARG 79 13.993 -3.641 -4.047 634 HD3 ARG 79 HD1 ARG 79 12.977 -4.775 -4.935 635 HE ARG 79 HE ARG 79 14.364 -4.557 -6.746 636 HH11 ARG 79 HH11 ARG 79 15.052 -2.001 -4.471 637 HH12 ARG 79 HH12 ARG 79 16.469 -1.466 -5.310 638 HH21 ARG 79 HH21 ARG 79 16.228 -3.854 -7.850 639 HH22 ARG 79 HH22 ARG 79 17.137 -2.518 -7.228 640 H GLY 80 HN GLY 80 10.813 -0.504 -1.283 641 HA2 GLY 80 HA2 GLY 80 12.273 2.040 -1.321 642 HA3 GLY 80 HA1 GLY 80 10.578 2.097 -0.882 643 H THR 81 HN THR 81 10.247 2.175 1.235 644 HA THR 81 HA THR 81 11.586 0.361 3.024 645 HB THR 81 HB THR 81 12.228 2.367 4.551 646 HG1 THR 81 HG1 THR 81 11.422 4.048 3.357 647 HG21 THR 81 HG21 THR 81 13.905 1.915 2.101 648 HG22 THR 81 HG22 THR 81 13.855 0.831 3.492 649 HG23 THR 81 HG23 THR 81 14.442 2.483 3.682 650 H TRP 82 HN TRP 82 10.886 0.950 5.389 651 HA TRP 82 HA TRP 82 8.290 2.238 5.553 652 HB2 TRP 82 HB2 TRP 82 8.157 -0.356 4.908 653 HB3 TRP 82 HB1 TRP 82 8.324 -0.529 6.651 654 HD1 TRP 82 HD1 TRP 82 5.967 1.034 4.036 655 HE1 TRP 82 HE1 TRP 82 3.633 1.278 5.091 656 HE3 TRP 82 HE3 TRP 82 7.081 -0.392 8.818 657 HZ2 TRP 82 HZ2 TRP 82 2.425 0.915 7.613 658 HZ3 TRP 82 HZ3 TRP 82 5.280 -0.414 10.490 659 HH2 TRP 82 HH2 TRP 82 2.999 0.226 9.900 660 H SER 83 HN SER 83 8.125 3.257 7.441 661 HA SER 83 HA SER 83 9.423 2.177 9.812 662 HB2 SER 83 HB2 SER 83 10.544 4.333 8.285 663 HB3 SER 83 HB1 SER 83 10.021 4.946 9.852 664 HG SER 83 HG SER 83 11.903 2.935 9.269 665 H LEU 84 HN LEU 84 8.575 2.968 11.763 666 HA LEU 84 HA LEU 84 6.111 4.553 11.460 667 HB2 LEU 84 HB2 LEU 84 6.220 1.963 12.248 668 HB3 LEU 84 HB1 LEU 84 6.330 2.773 13.798 669 HG LEU 84 HG LEU 84 4.204 3.833 12.089 670 HD11 LEU 84 HD11 LEU 84 3.772 1.077 13.188 671 HD12 LEU 84 HD12 LEU 84 4.301 1.344 11.526 672 HD13 LEU 84 HD13 LEU 84 2.758 1.999 12.077 673 HD21 LEU 84 HD21 LEU 84 4.819 3.946 14.708 674 HD22 LEU 84 HD22 LEU 84 3.648 2.627 14.719 675 HD23 LEU 84 HD23 LEU 84 3.195 4.203 14.071 676 H GLU 85 HN GLU 85 5.960 6.348 12.607 677 HA GLU 85 HA GLU 85 7.914 6.792 14.767 678 HB2 GLU 85 HB2 GLU 85 6.597 8.926 13.084 679 HB3 GLU 85 HB1 GLU 85 7.931 9.127 14.211 680 HG2 GLU 85 HG2 GLU 85 8.423 7.204 12.055 681 HG3 GLU 85 HG1 GLU 85 8.196 8.872 11.531 682 H GLY 86 HN GLY 86 6.668 6.138 16.490 683 HA2 GLY 86 HA2 GLY 86 5.223 6.560 18.245 684 HA3 GLY 86 HA1 GLY 86 4.701 8.015 17.412 685 H ASN 87 HN ASN 87 2.797 8.013 16.374 686 HA ASN 87 HA ASN 87 1.358 5.448 16.246 687 HB2 ASN 87 HB2 ASN 87 -0.725 6.888 16.359 688 HB3 ASN 87 HB1 ASN 87 0.249 6.838 17.825 689 HD21 ASN 87 HD21 ASN 87 -0.655 8.755 15.050 690 HD22 ASN 87 HD22 ASN 87 -0.175 10.281 15.704 691 H LYS 88 HN LYS 88 3.107 6.895 14.214 692 HA LYS 88 HA LYS 88 1.159 6.764 12.020 693 HB2 LYS 88 HB2 LYS 88 3.346 8.837 12.235 694 HB3 LYS 88 HB1 LYS 88 2.184 8.679 10.926 695 HG2 LYS 88 HG2 LYS 88 0.736 9.959 12.000 696 HG3 LYS 88 HG1 LYS 88 0.782 8.895 13.407 697 HD2 LYS 88 HD2 LYS 88 1.411 11.163 14.026 698 HD3 LYS 88 HD1 LYS 88 2.780 10.067 14.217 699 HE2 LYS 88 HE2 LYS 88 3.596 12.056 13.191 700 HE3 LYS 88 HE1 LYS 88 3.567 10.799 11.955 701 HZ1 LYS 88 HZ1 LYS 88 2.005 13.238 12.156 702 HZ2 LYS 88 HZ2 LYS 88 1.161 11.875 11.618 703 HZ3 LYS 88 HZ3 LYS 88 2.536 12.401 10.785 704 H LEU 89 HN LEU 89 1.885 5.869 10.128 705 HA LEU 89 HA LEU 89 4.617 4.763 10.179 706 HB2 LEU 89 HB2 LEU 89 3.763 2.904 8.829 707 HB3 LEU 89 HB1 LEU 89 2.949 3.015 10.377 708 HG LEU 89 HG LEU 89 1.228 4.443 8.887 709 HD11 LEU 89 HD11 LEU 89 2.868 2.907 7.002 710 HD12 LEU 89 HD12 LEU 89 1.836 4.312 6.733 711 HD13 LEU 89 HD13 LEU 89 1.127 2.699 6.810 712 HD21 LEU 89 HD21 LEU 89 -0.183 2.769 9.372 713 HD22 LEU 89 HD22 LEU 89 1.198 2.065 10.212 714 HD23 LEU 89 HD23 LEU 89 0.816 1.559 8.567 715 H ILE 90 HN ILE 90 5.894 5.000 8.377 716 HA ILE 90 HA ILE 90 4.688 6.394 6.080 717 HB ILE 90 HB ILE 90 7.512 6.984 6.868 718 HG12 ILE 90 HG12 ILE 90 6.185 9.130 7.882 719 HG13 ILE 90 HG11 ILE 90 5.063 7.837 8.293 720 HG21 ILE 90 HG21 ILE 90 5.792 9.098 5.814 721 HG22 ILE 90 HG22 ILE 90 5.935 7.703 4.744 722 HG23 ILE 90 HG23 ILE 90 7.383 8.556 5.280 723 HD11 ILE 90 HD11 ILE 90 6.652 8.330 10.093 724 HD12 ILE 90 HD12 ILE 90 7.981 7.886 9.021 725 HD13 ILE 90 HD13 ILE 90 6.795 6.674 9.504 726 H GLY 91 HN GLY 91 4.620 4.648 4.727 727 HA2 GLY 91 HA2 GLY 91 6.957 2.978 4.336 728 HA3 GLY 91 HA1 GLY 91 5.405 2.812 3.529 729 H LYS 92 HN LYS 92 7.682 2.537 2.049 730 HA LYS 92 HA LYS 92 7.395 4.738 0.196 731 HB2 LYS 92 HB2 LYS 92 9.860 4.276 1.804 732 HB3 LYS 92 HB1 LYS 92 10.046 4.764 0.127 733 HG2 LYS 92 HG2 LYS 92 9.737 6.869 0.724 734 HG3 LYS 92 HG1 LYS 92 8.107 6.463 1.261 735 HD2 LYS 92 HD2 LYS 92 9.347 5.616 3.406 736 HD3 LYS 92 HD1 LYS 92 10.624 6.700 2.846 737 HE2 LYS 92 HE2 LYS 92 8.628 8.392 2.606 738 HE3 LYS 92 HE1 LYS 92 7.868 7.327 3.787 739 HZ1 LYS 92 HZ1 LYS 92 9.552 7.758 5.346 740 HZ2 LYS 92 HZ2 LYS 92 9.159 9.271 4.699 741 HZ3 LYS 92 HZ3 LYS 92 10.566 8.477 4.197 742 H PHE 93 HN PHE 93 8.415 4.349 -1.859 743 HA PHE 93 HA PHE 93 9.417 1.660 -2.369 744 HB2 PHE 93 HB2 PHE 93 6.972 2.787 -3.750 745 HB3 PHE 93 HB1 PHE 93 7.971 1.532 -4.437 746 HD1 PHE 93 HD1 PHE 93 8.245 -0.633 -3.174 747 HD2 PHE 93 HD2 PHE 93 5.223 2.226 -2.252 748 HE1 PHE 93 HE1 PHE 93 6.927 -2.389 -2.069 749 HE2 PHE 93 HE2 PHE 93 3.919 0.473 -1.129 750 HZ PHE 93 HZ PHE 93 4.758 -1.836 -1.045 751 H LYS 94 HN LYS 94 10.065 1.511 -4.756 752 HA LYS 94 HA LYS 94 10.706 4.000 -6.043 753 HB2 LYS 94 HB2 LYS 94 12.776 2.412 -4.629 754 HB3 LYS 94 HB1 LYS 94 13.193 3.009 -6.224 755 HG2 LYS 94 HG2 LYS 94 11.993 4.954 -4.355 756 HG3 LYS 94 HG1 LYS 94 13.628 4.397 -4.000 757 HD2 LYS 94 HD2 LYS 94 13.141 5.113 -6.807 758 HD3 LYS 94 HD1 LYS 94 13.030 6.455 -5.669 759 HE2 LYS 94 HE2 LYS 94 15.364 4.633 -6.184 760 HE3 LYS 94 HE1 LYS 94 15.274 6.381 -6.401 761 HZ1 LYS 94 HZ1 LYS 94 16.292 6.377 -4.411 762 HZ2 LYS 94 HZ2 LYS 94 15.739 4.836 -3.988 763 HZ3 LYS 94 HZ3 LYS 94 14.723 6.176 -3.808 764 H ARG 95 HN ARG 95 10.543 3.743 -8.171 765 HA ARG 95 HA ARG 95 10.079 1.121 -9.244 766 HB2 ARG 95 HB2 ARG 95 9.813 3.895 -10.180 767 HB3 ARG 95 HB1 ARG 95 10.239 2.740 -11.434 768 HG2 ARG 95 HG2 ARG 95 8.230 1.430 -10.155 769 HG3 ARG 95 HG1 ARG 95 7.724 3.112 -9.988 770 HD2 ARG 95 HD2 ARG 95 6.812 2.129 -12.019 771 HD3 ARG 95 HD1 ARG 95 7.948 3.423 -12.400 772 HE ARG 95 HE ARG 95 9.494 1.213 -12.500 773 HH11 ARG 95 HH11 ARG 95 6.442 2.040 -13.977 774 HH12 ARG 95 HH12 ARG 95 6.710 1.055 -15.376 775 HH21 ARG 95 HH21 ARG 95 9.847 -0.084 -14.338 776 HH22 ARG 95 HH22 ARG 95 8.642 -0.152 -15.581 777 H THR 96 HN THR 96 11.269 0.011 -10.740 778 HA THR 96 HA THR 96 14.111 0.389 -10.593 779 HB THR 96 HB THR 96 12.250 -1.711 -11.330 780 HG1 THR 96 HG1 THR 96 14.932 -1.628 -10.437 781 HG21 THR 96 HG21 THR 96 13.760 -2.950 -12.814 782 HG22 THR 96 HG22 THR 96 14.771 -1.513 -12.964 783 HG23 THR 96 HG23 THR 96 13.117 -1.495 -13.574 784 H ASP 97 HN ASP 97 11.609 1.298 -12.763 785 HA ASP 97 HA ASP 97 12.819 1.347 -15.233 786 HB2 ASP 97 HB2 ASP 97 10.474 1.978 -14.843 787 HB3 ASP 97 HB1 ASP 97 11.002 3.463 -14.059 788 H ASN 98 HN ASN 98 12.975 3.873 -12.729 789 HA ASN 98 HA ASN 98 15.619 4.625 -13.616 790 HB2 ASN 98 HB2 ASN 98 13.632 5.921 -14.900 791 HB3 ASN 98 HB1 ASN 98 13.786 6.952 -13.481 792 HD21 ASN 98 HD21 ASN 98 14.642 6.851 -16.520 793 HD22 ASN 98 HD22 ASN 98 16.215 7.563 -16.465 794 H GLY 99 HN GLY 99 14.356 3.571 -11.205 795 HA2 GLY 99 HA2 GLY 99 14.449 3.856 -8.933 796 HA3 GLY 99 HA1 GLY 99 15.742 4.999 -9.257 797 H ASN 100 HN ASN 100 12.248 5.051 -9.950 798 HA ASN 100 HA ASN 100 12.057 7.808 -9.202 799 HB2 ASN 100 HB2 ASN 100 9.995 5.727 -9.919 800 HB3 ASN 100 HB1 ASN 100 9.565 7.380 -9.501 801 HD21 ASN 100 HD21 ASN 100 11.461 8.853 -10.728 802 HD22 ASN 100 HD22 ASN 100 11.385 8.634 -12.439 803 H GLU 101 HN GLU 101 11.326 8.689 -7.330 804 HA GLU 101 HA GLU 101 11.313 7.019 -4.999 805 HB2 GLU 101 HB2 GLU 101 10.813 9.986 -5.073 806 HB3 GLU 101 HB1 GLU 101 11.430 9.021 -3.738 807 HG2 GLU 101 HG2 GLU 101 13.529 8.800 -4.704 808 HG3 GLU 101 HG1 GLU 101 12.940 9.227 -6.306 809 H LEU 102 HN LEU 102 9.693 6.582 -3.671 810 HA LEU 102 HA LEU 102 7.036 7.673 -4.273 811 HB2 LEU 102 HB2 LEU 102 7.473 5.427 -5.333 812 HB3 LEU 102 HB1 LEU 102 7.546 4.762 -3.712 813 HG LEU 102 HG LEU 102 5.117 6.324 -4.295 814 HD11 LEU 102 HD11 LEU 102 4.906 3.617 -5.356 815 HD12 LEU 102 HD12 LEU 102 5.908 4.698 -6.326 816 HD13 LEU 102 HD13 LEU 102 4.240 5.132 -5.960 817 HD21 LEU 102 HD21 LEU 102 4.707 5.272 -2.377 818 HD22 LEU 102 HD22 LEU 102 6.008 4.110 -2.637 819 HD23 LEU 102 HD23 LEU 102 4.426 3.840 -3.366 820 H ASN 103 HN ASN 103 6.009 8.372 -2.501 821 HA ASN 103 HA ASN 103 6.920 7.380 0.119 822 HB2 ASN 103 HB2 ASN 103 5.822 10.145 -0.372 823 HB3 ASN 103 HB1 ASN 103 6.688 9.554 1.045 824 HD21 ASN 103 HD21 ASN 103 8.661 10.303 1.184 825 HD22 ASN 103 HD22 ASN 103 9.718 10.662 -0.135 826 H THR 104 HN THR 104 5.392 7.141 1.762 827 HA THR 104 HA THR 104 2.595 7.622 1.144 828 HB THR 104 HB THR 104 2.839 5.397 0.281 829 HG1 THR 104 HG1 THR 104 1.576 4.245 2.020 830 HG21 THR 104 HG21 THR 104 3.444 3.563 2.012 831 HG22 THR 104 HG22 THR 104 4.332 4.867 2.800 832 HG23 THR 104 HG23 THR 104 4.721 4.412 1.142 833 H VAL 105 HN VAL 105 1.543 8.351 2.865 834 HA VAL 105 HA VAL 105 2.660 7.777 5.532 835 HB VAL 105 HB VAL 105 1.361 10.383 4.734 836 HG11 VAL 105 HG11 VAL 105 2.560 11.105 6.878 837 HG12 VAL 105 HG12 VAL 105 2.712 9.382 7.221 838 HG13 VAL 105 HG13 VAL 105 1.115 10.108 7.045 839 HG21 VAL 105 HG21 VAL 105 3.926 11.051 5.217 840 HG22 VAL 105 HG22 VAL 105 3.291 10.710 3.607 841 HG23 VAL 105 HG23 VAL 105 4.151 9.455 4.500 842 H ARG 106 HN ARG 106 1.267 6.587 6.647 843 HA ARG 106 HA ARG 106 -1.610 6.940 6.162 844 HB2 ARG 106 HB2 ARG 106 -0.220 4.632 7.531 845 HB3 ARG 106 HB1 ARG 106 -1.914 4.714 7.067 846 HG2 ARG 106 HG2 ARG 106 -1.128 4.921 4.681 847 HG3 ARG 106 HG1 ARG 106 0.486 4.519 5.271 848 HD2 ARG 106 HD2 ARG 106 -0.928 2.540 6.414 849 HD3 ARG 106 HD1 ARG 106 -1.913 2.819 4.979 850 HE ARG 106 HE ARG 106 0.680 2.663 4.077 851 HH11 ARG 106 HH11 ARG 106 -1.505 0.577 5.824 852 HH12 ARG 106 HH12 ARG 106 -0.802 -0.882 5.210 853 HH21 ARG 106 HH21 ARG 106 1.606 0.746 3.269 854 HH22 ARG 106 HH22 ARG 106 0.965 -0.786 3.760 855 H GLU 107 HN GLU 107 -2.650 8.135 7.598 856 HA GLU 107 HA GLU 107 -1.670 8.177 10.377 857 HB2 GLU 107 HB2 GLU 107 -3.496 10.307 9.378 858 HB3 GLU 107 HB1 GLU 107 -2.199 10.406 10.560 859 HG2 GLU 107 HG2 GLU 107 -0.821 9.859 8.277 860 HG3 GLU 107 HG1 GLU 107 -2.156 10.838 7.668 861 H ILE 108 HN ILE 108 -3.264 8.300 12.071 862 HA ILE 108 HA ILE 108 -5.640 6.744 11.417 863 HB ILE 108 HB ILE 108 -4.882 7.617 14.190 864 HG12 ILE 108 HG12 ILE 108 -2.914 6.537 12.994 865 HG13 ILE 108 HG11 ILE 108 -3.439 5.749 14.477 866 HG21 ILE 108 HG21 ILE 108 -6.248 5.113 13.222 867 HG22 ILE 108 HG22 ILE 108 -7.097 6.573 13.730 868 HG23 ILE 108 HG23 ILE 108 -6.103 5.684 14.884 869 HD11 ILE 108 HD11 ILE 108 -3.814 3.842 13.410 870 HD12 ILE 108 HD12 ILE 108 -3.035 4.567 12.004 871 HD13 ILE 108 HD13 ILE 108 -4.787 4.648 12.179 872 H ILE 109 HN ILE 109 -7.036 8.182 10.469 873 HA ILE 109 HA ILE 109 -7.635 10.708 11.732 874 HB ILE 109 HB ILE 109 -7.591 10.288 9.215 875 HG12 ILE 109 HG12 ILE 109 -9.325 11.917 8.795 876 HG13 ILE 109 HG11 ILE 109 -10.121 11.526 10.316 877 HG21 ILE 109 HG21 ILE 109 -9.464 8.346 9.930 878 HG22 ILE 109 HG22 ILE 109 -8.986 8.824 8.298 879 HG23 ILE 109 HG23 ILE 109 -10.375 9.588 9.072 880 HD11 ILE 109 HD11 ILE 109 -7.346 12.350 10.641 881 HD12 ILE 109 HD12 ILE 109 -8.801 12.894 11.476 882 HD13 ILE 109 HD13 ILE 109 -8.374 13.585 9.910 883 H GLY 110 HN GLY 110 -8.162 9.156 13.654 884 HA2 GLY 110 HA2 GLY 110 -9.907 8.891 15.142 885 HA3 GLY 110 HA1 GLY 110 -11.045 9.228 13.864 886 H ASP 111 HN ASP 111 -12.351 7.589 13.646 887 HA ASP 111 HA ASP 111 -11.600 4.907 14.314 888 HB2 ASP 111 HB2 ASP 111 -13.895 4.343 13.481 889 HB3 ASP 111 HB1 ASP 111 -13.870 5.577 14.737 890 H GLU 112 HN GLU 112 -10.959 6.766 11.627 891 HA GLU 112 HA GLU 112 -10.717 4.351 9.959 892 HB2 GLU 112 HB2 GLU 112 -11.544 7.115 9.062 893 HB3 GLU 112 HB1 GLU 112 -11.142 5.795 7.971 894 HG2 GLU 112 HG2 GLU 112 -12.978 4.512 9.287 895 HG3 GLU 112 HG1 GLU 112 -13.503 6.127 9.751 896 H LEU 113 HN LEU 113 -9.223 4.904 8.005 897 HA LEU 113 HA LEU 113 -6.883 6.367 9.040 898 HB2 LEU 113 HB2 LEU 113 -7.110 3.675 7.814 899 HB3 LEU 113 HB1 LEU 113 -5.713 4.631 7.374 900 HG LEU 113 HG LEU 113 -5.497 2.983 9.326 901 HD11 LEU 113 HD11 LEU 113 -4.595 5.541 10.387 902 HD12 LEU 113 HD12 LEU 113 -4.198 5.305 8.687 903 HD13 LEU 113 HD13 LEU 113 -3.669 4.127 9.888 904 HD21 LEU 113 HD21 LEU 113 -7.659 3.834 10.370 905 HD22 LEU 113 HD22 LEU 113 -6.717 5.224 10.906 906 HD23 LEU 113 HD23 LEU 113 -6.281 3.603 11.446 907 H VAL 114 HN VAL 114 -6.052 7.898 7.778 908 HA VAL 114 HA VAL 114 -7.101 8.146 5.032 909 HB VAL 114 HB VAL 114 -7.583 10.085 6.427 910 HG11 VAL 114 HG11 VAL 114 -5.072 9.580 7.546 911 HG12 VAL 114 HG12 VAL 114 -6.184 10.887 7.953 912 HG13 VAL 114 HG13 VAL 114 -4.926 11.144 6.745 913 HG21 VAL 114 HG21 VAL 114 -7.135 11.593 4.808 914 HG22 VAL 114 HG22 VAL 114 -6.559 10.172 3.937 915 HG23 VAL 114 HG23 VAL 114 -5.413 11.213 4.781 916 H GLN 115 HN GLN 115 -5.738 7.226 3.634 917 HA GLN 115 HA GLN 115 -2.862 7.365 4.132 918 HB2 GLN 115 HB2 GLN 115 -4.274 5.804 1.974 919 HB3 GLN 115 HB1 GLN 115 -2.629 5.587 2.555 920 HG2 GLN 115 HG2 GLN 115 -3.269 4.376 4.339 921 HG3 GLN 115 HG1 GLN 115 -4.743 5.312 4.583 922 HE21 GLN 115 HE21 GLN 115 -3.300 2.588 3.021 923 HE22 GLN 115 HE22 GLN 115 -4.762 1.885 2.428 924 H THR 116 HN THR 116 -1.421 8.307 2.816 925 HA THR 116 HA THR 116 -2.338 9.583 0.339 926 HB THR 116 HB THR 116 -0.455 11.112 2.067 927 HG1 THR 116 HG1 THR 116 -3.238 10.909 2.525 928 HG21 THR 116 HG21 THR 116 -1.997 11.620 -0.264 929 HG22 THR 116 HG22 THR 116 -0.826 12.662 0.545 930 HG23 THR 116 HG23 THR 116 -2.523 12.707 1.021 931 H TYR 117 HN TYR 117 -1.110 8.753 -1.205 932 HA TYR 117 HA TYR 117 1.707 8.158 -0.593 933 HB2 TYR 117 HB2 TYR 117 0.102 6.930 -2.833 934 HB3 TYR 117 HB1 TYR 117 1.648 6.395 -2.193 935 HD1 TYR 117 HD2 TYR 117 -1.853 6.960 -0.947 936 HD2 TYR 117 HD1 TYR 117 1.625 4.507 -0.894 937 HE1 TYR 117 HE2 TYR 117 -3.010 5.361 0.506 938 HE2 TYR 117 HE1 TYR 117 0.471 2.899 0.563 939 HH TYR 117 HH TYR 117 -1.786 2.241 1.155 940 H VAL 118 HN VAL 118 3.282 8.688 -2.159 941 HA VAL 118 HA VAL 118 2.409 10.298 -4.418 942 HB VAL 118 HB VAL 118 2.989 11.833 -2.503 943 HG11 VAL 118 HG11 VAL 118 5.845 11.673 -2.917 944 HG12 VAL 118 HG12 VAL 118 5.205 10.170 -2.253 945 HG13 VAL 118 HG13 VAL 118 4.924 11.694 -1.413 946 HG21 VAL 118 HG21 VAL 118 2.996 12.612 -4.788 947 HG22 VAL 118 HG22 VAL 118 4.622 11.979 -5.034 948 HG23 VAL 118 HG23 VAL 118 4.358 13.326 -3.926 949 H TYR 119 HN TYR 119 3.735 10.206 -6.185 950 HA TYR 119 HA TYR 119 6.320 8.937 -6.055 951 HB2 TYR 119 HB2 TYR 119 5.021 6.956 -6.113 952 HB3 TYR 119 HB1 TYR 119 3.961 7.597 -7.351 953 HD1 TYR 119 HD2 TYR 119 7.409 6.427 -6.723 954 HD2 TYR 119 HD1 TYR 119 4.439 7.299 -9.605 955 HE1 TYR 119 HE2 TYR 119 8.793 5.351 -8.445 956 HE2 TYR 119 HE1 TYR 119 5.801 6.226 -11.356 957 HH TYR 119 HH TYR 119 8.333 5.759 -11.679 958 H GLU 120 HN GLU 120 7.358 10.496 -7.069 959 HA GLU 120 HA GLU 120 7.652 12.299 -8.516 960 HB2 GLU 120 HB2 GLU 120 7.555 10.143 -10.590 961 HB3 GLU 120 HB1 GLU 120 8.705 11.462 -10.410 962 HG2 GLU 120 HG2 GLU 120 8.509 8.968 -8.748 963 HG3 GLU 120 HG1 GLU 120 9.803 9.432 -9.843 964 H GLY 121 HN GLY 121 5.735 13.499 -8.489 965 HA2 GLY 121 HA2 GLY 121 4.137 14.667 -9.676 966 HA3 GLY 121 HA1 GLY 121 4.406 13.592 -11.023 967 H VAL 122 HN VAL 122 3.829 11.280 -9.042 968 HA VAL 122 HA VAL 122 0.917 11.483 -9.356 969 HB VAL 122 HB VAL 122 2.733 9.080 -9.266 970 HG11 VAL 122 HG11 VAL 122 1.093 7.804 -8.582 971 HG12 VAL 122 HG12 VAL 122 0.109 8.326 -9.942 972 HG13 VAL 122 HG13 VAL 122 0.033 9.202 -8.417 973 HG21 VAL 122 HG21 VAL 122 1.349 10.626 -11.344 974 HG22 VAL 122 HG22 VAL 122 1.218 8.874 -11.494 975 HG23 VAL 122 HG23 VAL 122 2.802 9.638 -11.438 976 H GLU 123 HN GLU 123 -0.053 12.089 -7.549 977 HA GLU 123 HA GLU 123 0.762 10.806 -5.030 978 HB2 GLU 123 HB2 GLU 123 0.781 13.477 -5.483 979 HB3 GLU 123 HB1 GLU 123 -0.862 13.273 -4.892 980 HG2 GLU 123 HG2 GLU 123 -0.188 12.945 -2.790 981 HG3 GLU 123 HG1 GLU 123 1.131 11.888 -3.274 982 H ALA 124 HN ALA 124 -0.644 9.324 -4.371 983 HA ALA 124 HA ALA 124 -3.477 9.693 -5.066 984 HB1 ALA 124 HB1 ALA 124 -2.009 7.070 -4.776 985 HB2 ALA 124 HB2 ALA 124 -2.460 7.824 -6.304 986 HB3 ALA 124 HB3 ALA 124 -3.713 7.265 -5.193 987 H LYS 125 HN LYS 125 -4.962 9.550 -3.503 988 HA LYS 125 HA LYS 125 -3.981 9.048 -0.773 989 HB2 LYS 125 HB2 LYS 125 -5.769 11.032 -1.938 990 HB3 LYS 125 HB1 LYS 125 -6.518 10.196 -0.585 991 HG2 LYS 125 HG2 LYS 125 -5.344 11.383 0.866 992 HG3 LYS 125 HG1 LYS 125 -3.830 10.910 0.094 993 HD2 LYS 125 HD2 LYS 125 -5.611 13.147 -0.866 994 HD3 LYS 125 HD1 LYS 125 -4.195 13.370 0.164 995 HE2 LYS 125 HE2 LYS 125 -2.734 12.980 -1.528 996 HE3 LYS 125 HE1 LYS 125 -3.797 11.818 -2.321 997 HZ1 LYS 125 HZ1 LYS 125 -4.033 13.497 -3.779 998 HZ2 LYS 125 HZ2 LYS 125 -3.612 14.696 -2.663 999 HZ3 LYS 125 HZ3 LYS 125 -5.179 14.059 -2.668 1000 H ARG 126 HN ARG 126 -5.664 8.033 0.707 1001 HA ARG 126 HA ARG 126 -7.695 6.462 -0.594 1002 HB2 ARG 126 HB2 ARG 126 -5.659 5.193 -1.112 1003 HB3 ARG 126 HB1 ARG 126 -5.288 5.082 0.598 1004 HG2 ARG 126 HG2 ARG 126 -6.669 3.357 0.897 1005 HG3 ARG 126 HG1 ARG 126 -7.955 4.109 -0.050 1006 HD2 ARG 126 HD2 ARG 126 -6.889 1.912 -0.903 1007 HD3 ARG 126 HD1 ARG 126 -7.181 3.221 -2.046 1008 HE ARG 126 HE ARG 126 -4.912 3.471 -2.306 1009 HH11 ARG 126 HH11 ARG 126 -5.533 1.403 0.436 1010 HH12 ARG 126 HH12 ARG 126 -3.878 0.925 0.607 1011 HH21 ARG 126 HH21 ARG 126 -2.736 2.844 -2.081 1012 HH22 ARG 126 HH22 ARG 126 -2.290 1.743 -0.820 1013 H ILE 127 HN ILE 127 -9.337 6.617 0.755 1014 HA ILE 127 HA ILE 127 -8.956 6.914 3.605 1015 HB ILE 127 HB ILE 127 -11.644 6.410 2.391 1016 HG12 ILE 127 HG12 ILE 127 -10.675 8.022 0.855 1017 HG13 ILE 127 HG11 ILE 127 -11.848 8.836 1.883 1018 HG21 ILE 127 HG21 ILE 127 -12.462 7.454 4.239 1019 HG22 ILE 127 HG22 ILE 127 -11.074 8.533 4.381 1020 HG23 ILE 127 HG23 ILE 127 -10.943 6.853 4.904 1021 HD11 ILE 127 HD11 ILE 127 -9.353 9.719 1.357 1022 HD12 ILE 127 HD12 ILE 127 -9.110 8.884 2.891 1023 HD13 ILE 127 HD13 ILE 127 -10.307 10.174 2.768 1024 H PHE 128 HN PHE 128 -9.334 5.346 5.134 1025 HA PHE 128 HA PHE 128 -9.883 2.661 4.064 1026 HB2 PHE 128 HB2 PHE 128 -7.656 2.622 4.765 1027 HB3 PHE 128 HB1 PHE 128 -7.986 3.614 6.180 1028 HD1 PHE 128 HD1 PHE 128 -8.450 0.258 4.717 1029 HD2 PHE 128 HD2 PHE 128 -8.551 2.632 8.248 1030 HE1 PHE 128 HE1 PHE 128 -8.682 -1.744 6.060 1031 HE2 PHE 128 HE2 PHE 128 -8.763 0.586 9.603 1032 HZ PHE 128 HZ PHE 128 -8.842 -1.602 8.509 1033 H LYS 129 HN LYS 129 -10.904 1.139 5.391 1034 HA LYS 129 HA LYS 129 -12.368 2.078 7.735 1035 HB2 LYS 129 HB2 LYS 129 -13.711 0.763 5.365 1036 HB3 LYS 129 HB1 LYS 129 -14.480 1.116 6.903 1037 HG2 LYS 129 HG2 LYS 129 -14.035 3.522 6.509 1038 HG3 LYS 129 HG1 LYS 129 -13.441 3.106 4.902 1039 HD2 LYS 129 HD2 LYS 129 -15.618 2.144 4.346 1040 HD3 LYS 129 HD1 LYS 129 -16.210 2.537 5.961 1041 HE2 LYS 129 HE2 LYS 129 -15.053 4.737 4.340 1042 HE3 LYS 129 HE1 LYS 129 -16.635 4.118 3.867 1043 HZ1 LYS 129 HZ1 LYS 129 -17.548 4.701 5.926 1044 HZ2 LYS 129 HZ2 LYS 129 -16.596 6.032 5.497 1045 HZ3 LYS 129 HZ3 LYS 129 -16.035 4.928 6.649 1046 H LYS 130 HN LYS 130 -13.321 0.221 8.931 1047 HA LYS 130 HA LYS 130 -11.650 -2.160 8.502 1048 HB2 LYS 130 HB2 LYS 130 -13.033 -1.535 11.085 1049 HB3 LYS 130 HB1 LYS 130 -11.637 -2.565 10.795 1050 HG2 LYS 130 HG2 LYS 130 -10.304 -0.566 10.263 1051 HG3 LYS 130 HG1 LYS 130 -11.703 0.441 10.638 1052 HD2 LYS 130 HD2 LYS 130 -10.182 0.345 12.536 1053 HD3 LYS 130 HD1 LYS 130 -11.713 -0.441 12.928 1054 HE2 LYS 130 HE2 LYS 130 -10.740 -2.615 12.599 1055 HE3 LYS 130 HE1 LYS 130 -9.238 -1.900 12.015 1056 HZ1 LYS 130 HZ1 LYS 130 -8.552 -1.427 14.091 1057 HZ2 LYS 130 HZ2 LYS 130 -9.607 -2.676 14.525 1058 HZ3 LYS 130 HZ3 LYS 130 -10.104 -1.065 14.660 1059 H ASP 131 HN ASP 131 -12.511 -4.227 8.803 1060 HA ASP 131 HA ASP 131 -15.089 -4.600 7.706 1061 HB2 ASP 131 HB2 ASP 131 -12.977 -6.143 7.703 1062 HB3 ASP 131 HB1 ASP 131 -13.650 -6.761 9.209 1063 H2 KTR 201 H6 KET 1 -1.823 0.831 -4.449 1064 H3 KTR 201 H31 KET 1 2.247 -1.017 -1.734 1065 H4 KTR 201 H32 KET 1 2.804 -0.015 -3.081 1066 H5 KTR 201 H21 KET 1 1.198 0.727 -0.707 1067 H6 KTR 201 H22 KET 1 2.476 1.640 -1.542 1068 H7 KTR 201 H1 KET 1 -0.111 2.218 -2.050 1069 H8 KTR 201 H11 KET 1 2.362 -1.545 -5.560 1070 H9 KTR 201 H13 KET 1 3.605 -2.261 -7.571 1071 H10 KTR 201 H15 KET 1 3.471 -4.608 -8.331 1072 H11 KTR 201 H14 KET 1 2.092 -6.233 -7.078 1073 H12 KTR 201 H12 KET 1 0.854 -5.507 -5.072 1074 H13 KTR 201 H7 KET 1 -1.559 -1.768 -5.051 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -3.851 -0.100 18.426 2 H2 ALA 1 HT2 ALA 1 -3.996 0.847 17.002 3 H3 ALA 1 HT3 ALA 1 -2.649 -0.197 17.207 4 HA ALA 1 HA ALA 1 -4.109 -2.086 17.199 5 HB1 ALA 1 HB1 ALA 1 -6.388 -1.946 16.964 6 HB2 ALA 1 HB2 ALA 1 -6.324 -0.353 16.210 7 HB3 ALA 1 HB3 ALA 1 -6.069 -0.518 17.948 8 H PHE 2 HN PHE 2 -2.206 -1.677 15.617 9 HA PHE 2 HA PHE 2 -3.079 -0.904 12.953 10 HB2 PHE 2 HB2 PHE 2 -0.525 -1.164 14.335 11 HB3 PHE 2 HB1 PHE 2 -0.488 -1.877 12.724 12 HD1 PHE 2 HD2 PHE 2 -2.252 -0.132 11.209 13 HD2 PHE 2 HD1 PHE 2 0.634 0.829 14.185 14 HE1 PHE 2 HE2 PHE 2 -1.985 2.103 10.221 15 HE2 PHE 2 HE1 PHE 2 0.907 3.069 13.203 16 HZ PHE 2 HZ PHE 2 -0.404 3.708 11.217 17 H ASP 3 HN ASP 3 -1.539 -3.761 14.446 18 HA ASP 3 HA ASP 3 -1.779 -5.458 12.235 19 HB2 ASP 3 HB2 ASP 3 -1.909 -6.379 15.106 20 HB3 ASP 3 HB1 ASP 3 -1.269 -7.253 13.717 21 H SER 4 HN SER 4 -3.638 -5.895 11.215 22 HA SER 4 HA SER 4 -5.696 -7.396 12.349 23 HB2 SER 4 HB2 SER 4 -5.907 -4.817 13.252 24 HB3 SER 4 HB1 SER 4 -6.940 -4.778 11.826 25 HG SER 4 HG SER 4 -8.370 -5.697 13.050 26 H THR 5 HN THR 5 -7.866 -6.950 10.925 27 HA THR 5 HA THR 5 -6.981 -7.283 8.167 28 HB THR 5 HB THR 5 -9.713 -7.604 9.439 29 HG1 THR 5 HG1 THR 5 -7.712 -9.456 8.682 30 HG21 THR 5 HG21 THR 5 -10.633 -7.990 7.464 31 HG22 THR 5 HG22 THR 5 -9.281 -8.994 6.940 32 HG23 THR 5 HG23 THR 5 -9.200 -7.241 6.760 33 H TRP 6 HN TRP 6 -6.878 -5.543 6.877 34 HA TRP 6 HA TRP 6 -8.701 -3.312 7.468 35 HB2 TRP 6 HB2 TRP 6 -5.929 -3.298 6.321 36 HB3 TRP 6 HB1 TRP 6 -6.947 -1.903 6.293 37 HD1 TRP 6 HD1 TRP 6 -6.808 -4.203 9.346 38 HE1 TRP 6 HE1 TRP 6 -5.796 -2.901 11.314 39 HE3 TRP 6 HE3 TRP 6 -5.398 0.028 6.862 40 HZ2 TRP 6 HZ2 TRP 6 -4.557 -0.415 11.759 41 HZ3 TRP 6 HZ3 TRP 6 -4.299 1.824 8.134 42 HH2 TRP 6 HH2 TRP 6 -3.885 1.607 10.531 43 H LYS 7 HN LYS 7 -10.128 -2.771 6.053 44 HA LYS 7 HA LYS 7 -9.793 -3.621 3.254 45 HB2 LYS 7 HB2 LYS 7 -12.245 -3.734 3.087 46 HB3 LYS 7 HB1 LYS 7 -11.629 -4.842 4.305 47 HG2 LYS 7 HG2 LYS 7 -12.526 -3.651 6.042 48 HG3 LYS 7 HG1 LYS 7 -12.513 -2.131 5.149 49 HD2 LYS 7 HD2 LYS 7 -14.227 -3.645 3.657 50 HD3 LYS 7 HD1 LYS 7 -14.566 -4.216 5.292 51 HE2 LYS 7 HE2 LYS 7 -14.336 -1.299 5.012 52 HE3 LYS 7 HE1 LYS 7 -15.696 -2.024 4.156 53 HZ1 LYS 7 HZ1 LYS 7 -16.601 -2.832 6.121 54 HZ2 LYS 7 HZ2 LYS 7 -16.043 -1.298 6.562 55 HZ3 LYS 7 HZ3 LYS 7 -15.155 -2.674 6.986 56 H VAL 8 HN VAL 8 -9.609 -2.063 1.858 57 HA VAL 8 HA VAL 8 -9.790 0.660 2.653 58 HB VAL 8 HB VAL 8 -8.206 -0.421 0.929 59 HG11 VAL 8 HG11 VAL 8 -9.921 -1.417 -0.501 60 HG12 VAL 8 HG12 VAL 8 -8.941 -0.260 -1.401 61 HG13 VAL 8 HG13 VAL 8 -10.561 0.186 -0.868 62 HG21 VAL 8 HG21 VAL 8 -7.606 1.675 0.510 63 HG22 VAL 8 HG22 VAL 8 -9.035 2.164 1.418 64 HG23 VAL 8 HG23 VAL 8 -9.111 2.026 -0.339 65 H ASP 9 HN ASP 9 -11.338 2.157 2.296 66 HA ASP 9 HA ASP 9 -13.887 1.183 1.255 67 HB2 ASP 9 HB2 ASP 9 -13.908 2.256 3.450 68 HB3 ASP 9 HB1 ASP 9 -13.216 3.720 2.760 69 H ARG 10 HN ARG 10 -12.425 4.432 1.113 70 HA ARG 10 HA ARG 10 -13.122 4.475 -1.749 71 HB2 ARG 10 HB2 ARG 10 -13.712 6.723 -1.610 72 HB3 ARG 10 HB1 ARG 10 -14.328 6.065 -0.107 73 HG2 ARG 10 HG2 ARG 10 -13.001 7.345 1.138 74 HG3 ARG 10 HG1 ARG 10 -11.609 7.114 0.082 75 HD2 ARG 10 HD2 ARG 10 -13.920 8.993 -0.390 76 HD3 ARG 10 HD1 ARG 10 -12.296 9.448 0.112 77 HE ARG 10 HE ARG 10 -11.505 8.941 -2.047 78 HH11 ARG 10 HH11 ARG 10 -14.965 8.508 -1.777 79 HH12 ARG 10 HH12 ARG 10 -15.224 8.555 -3.487 80 HH21 ARG 10 HH21 ARG 10 -11.855 8.999 -4.292 81 HH22 ARG 10 HH22 ARG 10 -13.463 8.831 -4.913 82 H SER 11 HN SER 11 -11.715 5.656 -3.172 83 HA SER 11 HA SER 11 -8.983 5.988 -2.135 84 HB2 SER 11 HB2 SER 11 -8.074 4.937 -4.130 85 HB3 SER 11 HB1 SER 11 -9.194 3.830 -3.344 86 HG SER 11 HG SER 11 -9.741 5.470 -5.595 87 H GLU 12 HN GLU 12 -7.660 7.466 -3.280 88 HA GLU 12 HA GLU 12 -9.059 9.244 -5.150 89 HB2 GLU 12 HB2 GLU 12 -8.645 9.933 -2.526 90 HB3 GLU 12 HB1 GLU 12 -7.231 10.622 -3.312 91 HG2 GLU 12 HG2 GLU 12 -8.607 12.380 -3.579 92 HG3 GLU 12 HG1 GLU 12 -9.118 11.473 -5.002 93 H ASN 13 HN ASN 13 -7.915 9.544 -6.936 94 HA ASN 13 HA ASN 13 -6.225 9.627 -8.425 95 HB2 ASN 13 HB2 ASN 13 -5.071 10.694 -5.927 96 HB3 ASN 13 HB1 ASN 13 -3.925 10.211 -7.166 97 HD21 ASN 13 HD21 ASN 13 -5.210 10.871 -9.462 98 HD22 ASN 13 HD22 ASN 13 -5.458 12.578 -9.536 99 H TYR 14 HN TYR 14 -6.707 7.142 -6.589 100 HA TYR 14 HA TYR 14 -4.312 5.729 -6.341 101 HB2 TYR 14 HB2 TYR 14 -6.797 5.171 -5.613 102 HB3 TYR 14 HB1 TYR 14 -6.810 4.302 -7.138 103 HD1 TYR 14 HD1 TYR 14 -3.988 3.293 -7.157 104 HD2 TYR 14 HD2 TYR 14 -6.883 3.430 -4.047 105 HE1 TYR 14 HE1 TYR 14 -2.908 1.369 -6.075 106 HE2 TYR 14 HE2 TYR 14 -5.809 1.510 -2.953 107 HH TYR 14 HH TYR 14 -2.798 0.487 -3.574 108 H ASP 15 HN ASP 15 -6.590 6.017 -9.032 109 HA ASP 15 HA ASP 15 -5.395 4.253 -10.840 110 HB2 ASP 15 HB2 ASP 15 -7.601 5.725 -10.968 111 HB3 ASP 15 HB1 ASP 15 -6.537 6.838 -11.824 112 H LYS 16 HN LYS 16 -4.581 7.486 -9.841 113 HA LYS 16 HA LYS 16 -2.861 8.321 -11.847 114 HB2 LYS 16 HB2 LYS 16 -3.690 9.422 -9.579 115 HB3 LYS 16 HB1 LYS 16 -2.142 8.834 -8.998 116 HG2 LYS 16 HG2 LYS 16 -1.252 10.702 -9.771 117 HG3 LYS 16 HG1 LYS 16 -1.553 10.100 -11.395 118 HD2 LYS 16 HD2 LYS 16 -3.950 11.069 -10.958 119 HD3 LYS 16 HD1 LYS 16 -3.098 12.043 -9.754 120 HE2 LYS 16 HE2 LYS 16 -1.461 12.341 -11.885 121 HE3 LYS 16 HE1 LYS 16 -3.014 12.160 -12.699 122 HZ1 LYS 16 HZ1 LYS 16 -3.700 13.900 -10.849 123 HZ2 LYS 16 HZ2 LYS 16 -3.055 14.379 -12.337 124 HZ3 LYS 16 HZ3 LYS 16 -2.062 14.307 -10.970 125 H PHE 17 HN PHE 17 -2.228 6.295 -9.036 126 HA PHE 17 HA PHE 17 0.555 6.013 -9.615 127 HB2 PHE 17 HB2 PHE 17 -1.307 4.525 -7.761 128 HB3 PHE 17 HB1 PHE 17 0.405 4.130 -7.911 129 HD1 PHE 17 HD1 PHE 17 -1.145 7.465 -8.058 130 HD2 PHE 17 HD2 PHE 17 1.236 4.752 -5.764 131 HE1 PHE 17 HE1 PHE 17 -0.580 9.284 -6.536 132 HE2 PHE 17 HE2 PHE 17 1.806 6.591 -4.226 133 HZ PHE 17 HZ PHE 17 0.905 8.850 -4.615 134 H MET 18 HN MET 18 -2.307 4.467 -10.714 135 HA MET 18 HA MET 18 -1.143 2.019 -11.580 136 HB2 MET 18 HB2 MET 18 -3.705 3.465 -12.022 137 HB3 MET 18 HB1 MET 18 -3.260 2.233 -13.192 138 HG2 MET 18 HG2 MET 18 -4.420 0.949 -11.754 139 HG3 MET 18 HG1 MET 18 -2.836 0.833 -10.999 140 HE1 MET 18 HE1 MET 18 -4.442 0.779 -7.785 141 HE2 MET 18 HE2 MET 18 -2.814 1.407 -8.039 142 HE3 MET 18 HE3 MET 18 -3.411 0.078 -9.032 143 H GLU 19 HN GLU 19 -1.626 5.201 -13.033 144 HA GLU 19 HA GLU 19 -0.661 4.296 -15.611 145 HB2 GLU 19 HB2 GLU 19 -1.181 7.159 -14.844 146 HB3 GLU 19 HB1 GLU 19 -1.262 6.422 -16.439 147 HG2 GLU 19 HG2 GLU 19 -3.154 5.846 -14.172 148 HG3 GLU 19 HG1 GLU 19 -3.470 6.961 -15.499 149 H LYS 20 HN LYS 20 0.379 6.927 -13.398 150 HA LYS 20 HA LYS 20 2.760 7.525 -14.655 151 HB2 LYS 20 HB2 LYS 20 1.797 8.882 -12.878 152 HB3 LYS 20 HB1 LYS 20 2.158 7.627 -11.702 153 HG2 LYS 20 HG2 LYS 20 3.988 8.838 -11.334 154 HG3 LYS 20 HG1 LYS 20 4.605 8.022 -12.763 155 HD2 LYS 20 HD2 LYS 20 3.393 10.059 -13.969 156 HD3 LYS 20 HD1 LYS 20 3.705 10.833 -12.411 157 HE2 LYS 20 HE2 LYS 20 5.747 11.277 -13.178 158 HE3 LYS 20 HE1 LYS 20 6.084 9.557 -13.001 159 HZ1 LYS 20 HZ1 LYS 20 4.793 10.499 -15.463 160 HZ2 LYS 20 HZ2 LYS 20 5.830 9.183 -15.229 161 HZ3 LYS 20 HZ3 LYS 20 6.454 10.754 -15.269 162 H MET 21 HN MET 21 2.212 5.158 -12.061 163 HA MET 21 HA MET 21 4.951 4.292 -12.085 164 HB2 MET 21 HB2 MET 21 3.384 4.191 -10.090 165 HB3 MET 21 HB1 MET 21 2.600 2.835 -10.886 166 HG2 MET 21 HG2 MET 21 5.428 2.411 -10.817 167 HG3 MET 21 HG1 MET 21 4.833 2.785 -9.201 168 HE1 MET 21 HE1 MET 21 3.147 1.514 -7.910 169 HE2 MET 21 HE2 MET 21 2.388 -0.010 -8.371 170 HE3 MET 21 HE3 MET 21 1.863 1.499 -9.119 171 H GLY 22 HN GLY 22 1.988 3.396 -13.672 172 HA2 GLY 22 HA2 GLY 22 1.640 2.016 -15.479 173 HA3 GLY 22 HA1 GLY 22 3.379 1.781 -15.567 174 H VAL 23 HN VAL 23 0.532 0.815 -13.662 175 HA VAL 23 HA VAL 23 1.904 -1.686 -12.978 176 HB VAL 23 HB VAL 23 0.236 -2.081 -11.328 177 HG11 VAL 23 HG11 VAL 23 0.187 0.287 -10.167 178 HG12 VAL 23 HG12 VAL 23 1.347 0.673 -11.441 179 HG13 VAL 23 HG13 VAL 23 1.681 -0.641 -10.312 180 HG21 VAL 23 HG21 VAL 23 -1.299 0.266 -12.437 181 HG22 VAL 23 HG22 VAL 23 -1.746 -0.705 -11.034 182 HG23 VAL 23 HG23 VAL 23 -1.728 -1.433 -12.639 183 H ASN 24 HN ASN 24 0.099 -3.561 -12.784 184 HA ASN 24 HA ASN 24 -0.952 -3.833 -15.500 185 HB2 ASN 24 HB2 ASN 24 -1.194 -6.314 -14.376 186 HB3 ASN 24 HB1 ASN 24 0.171 -5.779 -15.341 187 HD21 ASN 24 HD21 ASN 24 1.689 -7.024 -14.354 188 HD22 ASN 24 HD22 ASN 24 2.187 -6.803 -12.714 189 H ILE 25 HN ILE 25 -3.052 -3.609 -15.804 190 HA ILE 25 HA ILE 25 -4.920 -3.068 -13.839 191 HB ILE 25 HB ILE 25 -5.047 -2.754 -16.407 192 HG12 ILE 25 HG12 ILE 25 -6.762 -2.016 -14.786 193 HG13 ILE 25 HG11 ILE 25 -7.461 -2.542 -16.313 194 HG21 ILE 25 HG21 ILE 25 -6.147 -4.388 -17.693 195 HG22 ILE 25 HG22 ILE 25 -6.565 -5.343 -16.269 196 HG23 ILE 25 HG23 ILE 25 -4.888 -5.249 -16.807 197 HD11 ILE 25 HD11 ILE 25 -7.795 -3.616 -13.622 198 HD12 ILE 25 HD12 ILE 25 -7.528 -4.836 -14.867 199 HD13 ILE 25 HD13 ILE 25 -8.863 -3.694 -15.023 200 H VAL 26 HN VAL 26 -3.872 -6.132 -15.130 201 HA VAL 26 HA VAL 26 -5.897 -7.842 -14.399 202 HB VAL 26 HB VAL 26 -2.967 -8.484 -14.078 203 HG11 VAL 26 HG11 VAL 26 -3.894 -10.409 -13.374 204 HG12 VAL 26 HG12 VAL 26 -4.153 -10.695 -15.095 205 HG13 VAL 26 HG13 VAL 26 -5.457 -10.044 -14.103 206 HG21 VAL 26 HG21 VAL 26 -2.868 -7.799 -16.234 207 HG22 VAL 26 HG22 VAL 26 -4.602 -7.991 -16.490 208 HG23 VAL 26 HG23 VAL 26 -3.543 -9.401 -16.530 209 H LYS 27 HN LYS 27 -3.149 -6.819 -12.370 210 HA LYS 27 HA LYS 27 -4.289 -8.150 -10.064 211 HB2 LYS 27 HB2 LYS 27 -2.286 -7.645 -8.934 212 HB3 LYS 27 HB1 LYS 27 -1.795 -7.993 -10.585 213 HG2 LYS 27 HG2 LYS 27 -0.588 -6.114 -10.302 214 HG3 LYS 27 HG1 LYS 27 -2.102 -5.340 -10.774 215 HD2 LYS 27 HD2 LYS 27 -1.583 -4.166 -8.864 216 HD3 LYS 27 HD1 LYS 27 -2.605 -5.446 -8.206 217 HE2 LYS 27 HE2 LYS 27 0.406 -5.560 -8.313 218 HE3 LYS 27 HE1 LYS 27 -0.517 -5.031 -6.907 219 HZ1 LYS 27 HZ1 LYS 27 -1.662 -7.271 -7.071 220 HZ2 LYS 27 HZ2 LYS 27 -0.059 -7.274 -6.531 221 HZ3 LYS 27 HZ3 LYS 27 -0.415 -7.724 -8.122 222 H ARG 28 HN ARG 28 -4.006 -4.928 -11.364 223 HA ARG 28 HA ARG 28 -4.710 -3.474 -9.055 224 HB2 ARG 28 HB2 ARG 28 -3.712 -2.477 -11.099 225 HB3 ARG 28 HB1 ARG 28 -5.242 -2.729 -11.928 226 HG2 ARG 28 HG2 ARG 28 -5.454 -1.317 -9.384 227 HG3 ARG 28 HG1 ARG 28 -4.498 -0.485 -10.604 228 HD2 ARG 28 HD2 ARG 28 -7.182 -1.637 -11.239 229 HD3 ARG 28 HD1 ARG 28 -7.000 -0.051 -10.508 230 HE ARG 28 HE ARG 28 -5.421 -0.414 -12.877 231 HH11 ARG 28 HH11 ARG 28 -8.545 0.527 -11.637 232 HH12 ARG 28 HH12 ARG 28 -8.948 1.480 -13.025 233 HH21 ARG 28 HH21 ARG 28 -5.949 0.840 -14.703 234 HH22 ARG 28 HH22 ARG 28 -7.475 1.658 -14.766 235 H LYS 29 HN LYS 29 -6.591 -5.414 -11.194 236 HA LYS 29 HA LYS 29 -9.088 -4.304 -11.115 237 HB2 LYS 29 HB2 LYS 29 -8.034 -7.058 -11.291 238 HB3 LYS 29 HB1 LYS 29 -9.724 -6.916 -10.823 239 HG2 LYS 29 HG2 LYS 29 -10.346 -6.423 -12.891 240 HG3 LYS 29 HG1 LYS 29 -9.091 -5.200 -13.060 241 HD2 LYS 29 HD2 LYS 29 -7.462 -6.982 -13.558 242 HD3 LYS 29 HD1 LYS 29 -8.760 -8.173 -13.455 243 HE2 LYS 29 HE2 LYS 29 -9.178 -5.873 -15.276 244 HE3 LYS 29 HE1 LYS 29 -7.978 -7.070 -15.762 245 HZ1 LYS 29 HZ1 LYS 29 -9.545 -8.626 -16.119 246 HZ2 LYS 29 HZ2 LYS 29 -10.564 -7.290 -16.309 247 HZ3 LYS 29 HZ3 LYS 29 -10.525 -8.119 -14.836 248 H LEU 30 HN LEU 30 -7.476 -6.171 -8.580 249 HA LEU 30 HA LEU 30 -9.746 -5.626 -6.796 250 HB2 LEU 30 HB2 LEU 30 -7.514 -7.550 -6.226 251 HB3 LEU 30 HB1 LEU 30 -9.120 -7.501 -5.527 252 HG LEU 30 HG LEU 30 -8.864 -8.036 -8.450 253 HD11 LEU 30 HD11 LEU 30 -8.647 -10.270 -6.470 254 HD12 LEU 30 HD12 LEU 30 -7.211 -9.475 -7.112 255 HD13 LEU 30 HD13 LEU 30 -8.333 -10.285 -8.205 256 HD21 LEU 30 HD21 LEU 30 -10.976 -7.852 -6.745 257 HD22 LEU 30 HD22 LEU 30 -10.678 -9.590 -6.753 258 HD23 LEU 30 HD23 LEU 30 -10.984 -8.741 -8.268 259 H ALA 31 HN ALA 31 -6.562 -4.698 -7.492 260 HA ALA 31 HA ALA 31 -5.976 -3.829 -4.774 261 HB1 ALA 31 HB1 ALA 31 -4.321 -4.879 -6.522 262 HB2 ALA 31 HB2 ALA 31 -3.785 -3.629 -5.400 263 HB3 ALA 31 HB3 ALA 31 -4.183 -3.207 -7.065 264 H ALA 32 HN ALA 32 -7.410 -2.575 -7.598 265 HA ALA 32 HA ALA 32 -6.574 0.069 -7.635 266 HB1 ALA 32 HB1 ALA 32 -9.420 -0.726 -8.158 267 HB2 ALA 32 HB2 ALA 32 -8.111 -1.137 -9.264 268 HB3 ALA 32 HB3 ALA 32 -8.474 0.553 -8.919 269 H HIS 33 HN HIS 33 -9.260 -1.347 -5.756 270 HA HIS 33 HA HIS 33 -9.017 -0.025 -3.430 271 HB2 HIS 33 HB2 HIS 33 -10.647 1.934 -3.703 272 HB3 HIS 33 HB1 HIS 33 -9.017 2.147 -4.327 273 HD1 HIS 33 HD1 HIS 33 -8.902 3.040 -6.633 274 HD2 HIS 33 HD2 HIS 33 -12.504 1.110 -5.891 275 HE1 HIS 33 HE1 HIS 33 -10.275 3.361 -8.715 276 HE2 HIS 33 HE2 HIS 33 -12.418 2.110 -8.276 277 H ASP 34 HN ASP 34 -11.383 -0.740 -5.938 278 HA ASP 34 HA ASP 34 -13.669 -0.944 -4.377 279 HB2 ASP 34 HB2 ASP 34 -12.796 -2.082 -6.982 280 HB3 ASP 34 HB1 ASP 34 -14.208 -2.805 -6.218 281 H ASN 35 HN ASN 35 -11.550 -3.636 -5.384 282 HA ASN 35 HA ASN 35 -12.525 -5.121 -3.058 283 HB2 ASN 35 HB2 ASN 35 -11.456 -6.285 -5.631 284 HB3 ASN 35 HB1 ASN 35 -12.162 -7.178 -4.287 285 HD21 ASN 35 HD21 ASN 35 -12.803 -6.441 -7.271 286 HD22 ASN 35 HD22 ASN 35 -14.507 -6.162 -7.214 287 H LEU 36 HN LEU 36 -10.515 -3.424 -2.541 288 HA LEU 36 HA LEU 36 -8.043 -4.999 -2.654 289 HB2 LEU 36 HB2 LEU 36 -7.862 -2.722 -3.478 290 HB3 LEU 36 HB1 LEU 36 -8.512 -2.097 -1.976 291 HG LEU 36 HG LEU 36 -5.987 -1.922 -2.345 292 HD11 LEU 36 HD11 LEU 36 -6.383 -3.342 0.203 293 HD12 LEU 36 HD12 LEU 36 -7.480 -1.997 -0.108 294 HD13 LEU 36 HD13 LEU 36 -5.737 -1.733 -0.117 295 HD21 LEU 36 HD21 LEU 36 -6.123 -4.556 -2.927 296 HD22 LEU 36 HD22 LEU 36 -5.678 -4.624 -1.221 297 HD23 LEU 36 HD23 LEU 36 -4.663 -3.742 -2.363 298 H LYS 37 HN LYS 37 -7.410 -6.094 -0.942 299 HA LYS 37 HA LYS 37 -8.463 -5.329 1.705 300 HB2 LYS 37 HB2 LYS 37 -9.349 -7.458 1.204 301 HB3 LYS 37 HB1 LYS 37 -7.840 -8.018 0.506 302 HG2 LYS 37 HG2 LYS 37 -8.389 -9.014 2.716 303 HG3 LYS 37 HG1 LYS 37 -6.825 -8.200 2.656 304 HD2 LYS 37 HD2 LYS 37 -8.047 -7.686 4.722 305 HD3 LYS 37 HD1 LYS 37 -7.779 -6.247 3.740 306 HE2 LYS 37 HE2 LYS 37 -10.023 -6.169 4.552 307 HE3 LYS 37 HE1 LYS 37 -10.085 -6.531 2.827 308 HZ1 LYS 37 HZ1 LYS 37 -10.839 -8.179 5.097 309 HZ2 LYS 37 HZ2 LYS 37 -10.041 -8.986 3.842 310 HZ3 LYS 37 HZ3 LYS 37 -11.471 -8.140 3.528 311 H LEU 38 HN LEU 38 -7.036 -4.449 2.930 312 HA LEU 38 HA LEU 38 -4.202 -5.168 2.633 313 HB2 LEU 38 HB2 LEU 38 -5.279 -2.742 2.319 314 HB3 LEU 38 HB1 LEU 38 -5.084 -2.694 4.052 315 HG LEU 38 HG LEU 38 -2.747 -2.688 3.927 316 HD11 LEU 38 HD11 LEU 38 -1.705 -3.089 1.516 317 HD12 LEU 38 HD12 LEU 38 -3.152 -4.084 1.339 318 HD13 LEU 38 HD13 LEU 38 -2.009 -4.415 2.640 319 HD21 LEU 38 HD21 LEU 38 -3.065 -0.566 3.214 320 HD22 LEU 38 HD22 LEU 38 -4.068 -1.056 1.850 321 HD23 LEU 38 HD23 LEU 38 -2.310 -1.182 1.742 322 H THR 39 HN THR 39 -3.246 -6.173 4.350 323 HA THR 39 HA THR 39 -4.709 -6.111 6.910 324 HB THR 39 HB THR 39 -3.253 -8.463 5.697 325 HG1 THR 39 HG1 THR 39 -6.016 -8.103 6.203 326 HG21 THR 39 HG21 THR 39 -4.787 -8.253 8.273 327 HG22 THR 39 HG22 THR 39 -3.066 -8.590 8.086 328 HG23 THR 39 HG23 THR 39 -4.260 -9.762 7.529 329 H ILE 40 HN ILE 40 -3.406 -6.615 8.819 330 HA ILE 40 HA ILE 40 -0.551 -6.017 8.529 331 HB ILE 40 HB ILE 40 -2.319 -4.618 10.542 332 HG12 ILE 40 HG12 ILE 40 -0.972 -3.381 8.138 333 HG13 ILE 40 HG11 ILE 40 -2.648 -3.923 8.122 334 HG21 ILE 40 HG21 ILE 40 0.351 -3.564 9.924 335 HG22 ILE 40 HG22 ILE 40 0.347 -5.140 10.715 336 HG23 ILE 40 HG23 ILE 40 -0.459 -3.769 11.477 337 HD11 ILE 40 HD11 ILE 40 -2.515 -1.543 8.512 338 HD12 ILE 40 HD12 ILE 40 -1.481 -1.811 9.917 339 HD13 ILE 40 HD13 ILE 40 -3.155 -2.366 9.934 340 H THR 41 HN THR 41 0.677 -7.317 9.730 341 HA THR 41 HA THR 41 -0.549 -8.675 12.041 342 HB THR 41 HB THR 41 1.679 -9.986 10.559 343 HG1 THR 41 HG1 THR 41 -1.002 -9.876 9.661 344 HG21 THR 41 HG21 THR 41 -0.537 -10.807 12.316 345 HG22 THR 41 HG22 THR 41 1.111 -11.425 12.193 346 HG23 THR 41 HG23 THR 41 -0.106 -11.916 11.014 347 H GLN 42 HN GLN 42 1.562 -9.801 13.269 348 HA GLN 42 HA GLN 42 3.587 -7.693 13.518 349 HB2 GLN 42 HB2 GLN 42 1.815 -7.303 15.203 350 HB3 GLN 42 HB1 GLN 42 2.134 -8.896 15.873 351 HG2 GLN 42 HG2 GLN 42 4.505 -7.203 15.640 352 HG3 GLN 42 HG1 GLN 42 3.265 -6.572 16.723 353 HE21 GLN 42 HE21 GLN 42 4.783 -6.911 18.430 354 HE22 GLN 42 HE22 GLN 42 4.989 -8.484 19.113 355 H GLU 43 HN GLU 43 5.576 -8.388 13.694 356 HA GLU 43 HA GLU 43 6.275 -10.856 15.005 357 HB2 GLU 43 HB2 GLU 43 7.508 -10.746 12.327 358 HB3 GLU 43 HB1 GLU 43 6.962 -12.127 13.262 359 HG2 GLU 43 HG2 GLU 43 4.958 -10.327 11.985 360 HG3 GLU 43 HG1 GLU 43 5.822 -11.518 11.016 361 H GLY 44 HN GLY 44 7.547 -9.666 16.381 362 HA2 GLY 44 HA2 GLY 44 9.412 -8.508 17.077 363 HA3 GLY 44 HA1 GLY 44 10.156 -9.010 15.569 364 H ASN 45 HN ASN 45 11.128 -7.102 14.939 365 HA ASN 45 HA ASN 45 9.649 -4.623 15.065 366 HB2 ASN 45 HB2 ASN 45 11.778 -3.867 13.665 367 HB3 ASN 45 HB1 ASN 45 11.847 -4.093 15.407 368 HD21 ASN 45 HD21 ASN 45 11.841 -6.465 12.777 369 HD22 ASN 45 HD22 ASN 45 13.362 -7.174 13.182 370 H LYS 46 HN LYS 46 9.425 -7.175 13.052 371 HA LYS 46 HA LYS 46 8.952 -5.479 10.703 372 HB2 LYS 46 HB2 LYS 46 10.190 -6.932 9.596 373 HB3 LYS 46 HB1 LYS 46 10.298 -8.001 10.979 374 HG2 LYS 46 HG2 LYS 46 8.229 -8.015 8.796 375 HG3 LYS 46 HG1 LYS 46 9.537 -9.166 9.022 376 HD2 LYS 46 HD2 LYS 46 8.219 -10.417 10.259 377 HD3 LYS 46 HD1 LYS 46 8.062 -9.094 11.420 378 HE2 LYS 46 HE2 LYS 46 5.899 -9.140 10.860 379 HE3 LYS 46 HE1 LYS 46 6.453 -8.260 9.441 380 HZ1 LYS 46 HZ1 LYS 46 5.920 -9.947 8.123 381 HZ2 LYS 46 HZ2 LYS 46 5.116 -10.648 9.434 382 HZ3 LYS 46 HZ3 LYS 46 6.716 -11.078 9.098 383 H PHE 47 HN PHE 47 7.051 -5.511 9.614 384 HA PHE 47 HA PHE 47 4.813 -6.783 11.045 385 HB2 PHE 47 HB2 PHE 47 4.939 -4.300 9.334 386 HB3 PHE 47 HB1 PHE 47 3.433 -5.011 9.887 387 HD1 PHE 47 HD1 PHE 47 5.112 -5.766 12.610 388 HD2 PHE 47 HD2 PHE 47 4.084 -2.241 10.464 389 HE1 PHE 47 HE1 PHE 47 5.295 -4.454 14.681 390 HE2 PHE 47 HE2 PHE 47 4.264 -0.926 12.533 391 HZ PHE 47 HZ PHE 47 4.870 -2.031 14.646 392 H THR 48 HN THR 48 3.173 -7.831 9.887 393 HA THR 48 HA THR 48 3.987 -8.664 7.187 394 HB THR 48 HB THR 48 1.873 -10.209 8.527 395 HG1 THR 48 HG1 THR 48 3.224 -11.138 10.023 396 HG21 THR 48 HG21 THR 48 4.473 -10.972 7.226 397 HG22 THR 48 HG22 THR 48 2.864 -11.052 6.508 398 HG23 THR 48 HG23 THR 48 3.281 -12.108 7.857 399 H VAL 49 HN VAL 49 2.877 -7.890 5.541 400 HA VAL 49 HA VAL 49 0.170 -6.869 6.029 401 HB VAL 49 HB VAL 49 0.911 -6.152 3.414 402 HG11 VAL 49 HG11 VAL 49 -0.366 -4.594 4.450 403 HG12 VAL 49 HG12 VAL 49 1.212 -3.852 4.716 404 HG13 VAL 49 HG13 VAL 49 0.450 -4.790 6.001 405 HG21 VAL 49 HG21 VAL 49 2.997 -4.763 4.024 406 HG22 VAL 49 HG22 VAL 49 3.203 -6.471 3.642 407 HG23 VAL 49 HG23 VAL 49 3.214 -5.937 5.321 408 H LYS 50 HN LYS 50 -1.365 -8.279 5.581 409 HA LYS 50 HA LYS 50 -0.941 -10.235 3.443 410 HB2 LYS 50 HB2 LYS 50 -2.378 -10.232 5.967 411 HB3 LYS 50 HB1 LYS 50 -3.403 -10.773 4.645 412 HG2 LYS 50 HG2 LYS 50 -1.233 -12.222 4.101 413 HG3 LYS 50 HG1 LYS 50 -1.018 -12.041 5.843 414 HD2 LYS 50 HD2 LYS 50 -2.259 -14.038 5.510 415 HD3 LYS 50 HD1 LYS 50 -3.396 -12.828 6.106 416 HE2 LYS 50 HE2 LYS 50 -3.113 -12.979 3.179 417 HE3 LYS 50 HE1 LYS 50 -3.834 -14.393 3.945 418 HZ1 LYS 50 HZ1 LYS 50 -5.699 -13.179 3.722 419 HZ2 LYS 50 HZ2 LYS 50 -4.882 -11.699 3.668 420 HZ3 LYS 50 HZ3 LYS 50 -5.175 -12.448 5.156 421 H GLU 51 HN GLU 51 -1.597 -9.631 1.496 422 HA GLU 51 HA GLU 51 -3.872 -7.813 1.255 423 HB2 GLU 51 HB2 GLU 51 -1.581 -8.537 -0.519 424 HB3 GLU 51 HB1 GLU 51 -3.058 -7.921 -1.248 425 HG2 GLU 51 HG2 GLU 51 -2.651 -6.114 0.735 426 HG3 GLU 51 HG1 GLU 51 -0.996 -6.537 0.300 427 H SER 52 HN SER 52 -5.812 -8.613 0.854 428 HA SER 52 HA SER 52 -6.026 -11.294 -0.319 429 HB2 SER 52 HB2 SER 52 -7.186 -10.401 1.925 430 HB3 SER 52 HB1 SER 52 -8.425 -9.912 0.770 431 HG SER 52 HG SER 52 -7.662 -12.436 1.591 432 H SER 53 HN SER 53 -7.240 -11.707 -2.129 433 HA SER 53 HA SER 53 -8.673 -9.542 -3.431 434 HB2 SER 53 HB2 SER 53 -6.937 -10.860 -5.368 435 HB3 SER 53 HB1 SER 53 -7.218 -9.140 -5.099 436 HG SER 53 HG SER 53 -5.538 -9.049 -3.782 437 H ALA 54 HN ALA 54 -10.167 -10.226 -4.955 438 HA ALA 54 HA ALA 54 -11.954 -11.844 -5.062 439 HB1 ALA 54 HB1 ALA 54 -11.191 -13.027 -7.319 440 HB2 ALA 54 HB2 ALA 54 -9.946 -11.781 -7.230 441 HB3 ALA 54 HB3 ALA 54 -11.649 -11.325 -7.241 442 H PHE 55 HN PHE 55 -9.442 -13.901 -6.422 443 HA PHE 55 HA PHE 55 -10.076 -15.922 -4.374 444 HB2 PHE 55 HB2 PHE 55 -9.672 -17.626 -6.192 445 HB3 PHE 55 HB1 PHE 55 -11.123 -16.649 -6.389 446 HD1 PHE 55 HD1 PHE 55 -7.534 -16.677 -7.396 447 HD2 PHE 55 HD2 PHE 55 -11.543 -15.706 -8.441 448 HE1 PHE 55 HE1 PHE 55 -6.785 -16.028 -9.648 449 HE2 PHE 55 HE2 PHE 55 -10.802 -15.056 -10.695 450 HZ PHE 55 HZ PHE 55 -8.420 -15.217 -11.301 451 H ARG 56 HN ARG 56 -7.633 -14.365 -6.304 452 HA ARG 56 HA ARG 56 -5.504 -16.147 -5.831 453 HB2 ARG 56 HB2 ARG 56 -4.075 -14.078 -6.281 454 HB3 ARG 56 HB1 ARG 56 -5.177 -14.580 -7.556 455 HG2 ARG 56 HG2 ARG 56 -6.546 -12.753 -5.863 456 HG3 ARG 56 HG1 ARG 56 -4.978 -12.062 -6.283 457 HD2 ARG 56 HD2 ARG 56 -6.416 -13.325 -8.512 458 HD3 ARG 56 HD1 ARG 56 -7.206 -11.904 -7.831 459 HE ARG 56 HE ARG 56 -4.592 -11.165 -8.181 460 HH11 ARG 56 HH11 ARG 56 -7.131 -12.378 -10.246 461 HH12 ARG 56 HH12 ARG 56 -6.545 -11.562 -11.656 462 HH21 ARG 56 HH21 ARG 56 -3.820 -10.091 -10.036 463 HH22 ARG 56 HH22 ARG 56 -4.665 -10.264 -11.537 464 H ASN 57 HN ASN 57 -3.441 -15.051 -4.660 465 HA ASN 57 HA ASN 57 -4.284 -14.083 -2.022 466 HB2 ASN 57 HB2 ASN 57 -3.694 -16.693 -2.338 467 HB3 ASN 57 HB1 ASN 57 -2.076 -16.061 -2.045 468 HD21 ASN 57 HD21 ASN 57 -4.451 -17.539 -0.547 469 HD22 ASN 57 HD22 ASN 57 -4.342 -16.849 1.033 470 H ILE 58 HN ILE 58 -3.144 -12.383 -1.390 471 HA ILE 58 HA ILE 58 -0.442 -11.998 -2.503 472 HB ILE 58 HB ILE 58 -2.408 -9.785 -1.912 473 HG12 ILE 58 HG12 ILE 58 -1.547 -10.819 -4.619 474 HG13 ILE 58 HG11 ILE 58 -3.075 -11.237 -3.849 475 HG21 ILE 58 HG21 ILE 58 0.267 -9.761 -3.300 476 HG22 ILE 58 HG22 ILE 58 -0.071 -9.140 -1.685 477 HG23 ILE 58 HG23 ILE 58 -0.801 -8.372 -3.095 478 HD11 ILE 58 HD11 ILE 58 -3.478 -8.704 -3.753 479 HD12 ILE 58 HD12 ILE 58 -3.635 -9.522 -5.308 480 HD13 ILE 58 HD13 ILE 58 -2.176 -8.602 -4.938 481 H GLU 59 HN GLU 59 1.094 -11.038 -1.133 482 HA GLU 59 HA GLU 59 0.390 -10.231 1.541 483 HB2 GLU 59 HB2 GLU 59 0.384 -12.653 1.821 484 HB3 GLU 59 HB1 GLU 59 1.987 -12.761 1.106 485 HG2 GLU 59 HG2 GLU 59 3.003 -11.753 2.959 486 HG3 GLU 59 HG1 GLU 59 1.465 -11.162 3.586 487 H VAL 60 HN VAL 60 2.299 -9.527 2.793 488 HA VAL 60 HA VAL 60 4.810 -9.201 1.427 489 HB VAL 60 HB VAL 60 2.925 -6.871 1.731 490 HG11 VAL 60 HG11 VAL 60 5.923 -6.718 1.417 491 HG12 VAL 60 HG12 VAL 60 4.981 -6.158 2.802 492 HG13 VAL 60 HG13 VAL 60 4.809 -5.363 1.236 493 HG21 VAL 60 HG21 VAL 60 2.723 -7.650 -0.418 494 HG22 VAL 60 HG22 VAL 60 4.404 -8.179 -0.501 495 HG23 VAL 60 HG23 VAL 60 4.013 -6.463 -0.613 496 H VAL 61 HN VAL 61 6.408 -8.091 2.742 497 HA VAL 61 HA VAL 61 5.728 -7.951 5.606 498 HB VAL 61 HB VAL 61 7.965 -9.420 4.268 499 HG11 VAL 61 HG11 VAL 61 9.366 -8.079 5.533 500 HG12 VAL 61 HG12 VAL 61 9.060 -9.430 6.624 501 HG13 VAL 61 HG13 VAL 61 8.195 -7.909 6.840 502 HG21 VAL 61 HG21 VAL 61 7.336 -10.621 6.672 503 HG22 VAL 61 HG22 VAL 61 6.704 -11.067 5.087 504 HG23 VAL 61 HG23 VAL 61 5.794 -9.966 6.120 505 H PHE 62 HN PHE 62 6.857 -6.354 6.804 506 HA PHE 62 HA PHE 62 8.828 -4.714 5.516 507 HB2 PHE 62 HB2 PHE 62 7.456 -2.575 5.946 508 HB3 PHE 62 HB1 PHE 62 7.138 -3.498 4.492 509 HD1 PHE 62 HD1 PHE 62 5.770 -5.091 7.370 510 HD2 PHE 62 HD2 PHE 62 5.083 -1.996 4.551 511 HE1 PHE 62 HE1 PHE 62 3.378 -5.133 7.924 512 HE2 PHE 62 HE2 PHE 62 2.686 -2.023 5.097 513 HZ PHE 62 HZ PHE 62 1.830 -3.593 6.788 514 H GLU 63 HN GLU 63 10.205 -4.102 6.892 515 HA GLU 63 HA GLU 63 9.468 -4.095 9.726 516 HB2 GLU 63 HB2 GLU 63 11.271 -5.648 8.657 517 HB3 GLU 63 HB1 GLU 63 12.268 -4.209 8.705 518 HG2 GLU 63 HG2 GLU 63 11.535 -4.120 11.201 519 HG3 GLU 63 HG1 GLU 63 11.155 -5.824 10.947 520 H LEU 64 HN LEU 64 9.960 -2.420 11.025 521 HA LEU 64 HA LEU 64 9.990 0.154 9.949 522 HB2 LEU 64 HB2 LEU 64 10.902 -0.672 12.698 523 HB3 LEU 64 HB1 LEU 64 10.286 0.900 12.225 524 HG LEU 64 HG LEU 64 8.739 -1.687 12.438 525 HD11 LEU 64 HD11 LEU 64 7.398 0.170 13.867 526 HD12 LEU 64 HD12 LEU 64 9.055 0.739 14.076 527 HD13 LEU 64 HD13 LEU 64 8.621 -0.904 14.547 528 HD21 LEU 64 HD21 LEU 64 6.799 -0.511 11.652 529 HD22 LEU 64 HD22 LEU 64 8.068 -0.391 10.433 530 HD23 LEU 64 HD23 LEU 64 7.719 0.985 11.481 531 H GLY 65 HN GLY 65 11.617 0.812 8.656 532 HA2 GLY 65 HA2 GLY 65 13.737 1.887 8.511 533 HA3 GLY 65 HA1 GLY 65 14.313 0.873 9.826 534 H VAL 66 HN VAL 66 12.485 -0.723 7.431 535 HA VAL 66 HA VAL 66 14.909 -1.590 6.018 536 HB VAL 66 HB VAL 66 12.713 -3.451 6.933 537 HG11 VAL 66 HG11 VAL 66 15.297 -4.530 6.060 538 HG12 VAL 66 HG12 VAL 66 14.362 -3.745 4.787 539 HG13 VAL 66 HG13 VAL 66 13.658 -5.077 5.704 540 HG21 VAL 66 HG21 VAL 66 14.199 -2.535 8.749 541 HG22 VAL 66 HG22 VAL 66 15.549 -3.328 7.936 542 HG23 VAL 66 HG23 VAL 66 14.216 -4.291 8.573 543 H THR 67 HN THR 67 14.740 -1.632 3.918 544 HA THR 67 HA THR 67 12.899 -0.367 2.446 545 HB THR 67 HB THR 67 14.700 -2.659 1.777 546 HG1 THR 67 HG1 THR 67 14.682 0.094 1.107 547 HG21 THR 67 HG21 THR 67 13.505 -3.084 -0.066 548 HG22 THR 67 HG22 THR 67 14.197 -1.573 -0.655 549 HG23 THR 67 HG23 THR 67 12.586 -1.584 0.060 550 H PHE 68 HN PHE 68 11.039 -0.758 1.317 551 HA PHE 68 HA PHE 68 9.379 -2.916 2.271 552 HB2 PHE 68 HB2 PHE 68 8.738 -0.418 1.637 553 HB3 PHE 68 HB1 PHE 68 8.510 -1.127 0.050 554 HD1 PHE 68 HD1 PHE 68 7.746 -3.614 2.410 555 HD2 PHE 68 HD2 PHE 68 6.191 -0.037 0.709 556 HE1 PHE 68 HE1 PHE 68 5.479 -4.294 3.051 557 HE2 PHE 68 HE2 PHE 68 3.922 -0.714 1.353 558 HZ PHE 68 HZ PHE 68 3.561 -2.847 2.524 559 H ASN 69 HN ASN 69 8.403 -4.486 0.891 560 HA ASN 69 HA ASN 69 9.873 -4.924 -1.623 561 HB2 ASN 69 HB2 ASN 69 9.569 -7.398 -1.137 562 HB3 ASN 69 HB1 ASN 69 10.719 -6.541 -0.115 563 HD21 ASN 69 HD21 ASN 69 10.344 -6.369 2.037 564 HD22 ASN 69 HD22 ASN 69 9.017 -7.122 2.845 565 H TYR 70 HN TYR 70 8.629 -4.853 -3.329 566 HA TYR 70 HA TYR 70 6.168 -6.315 -3.470 567 HB2 TYR 70 HB2 TYR 70 5.764 -3.868 -2.468 568 HB3 TYR 70 HB1 TYR 70 5.784 -3.447 -4.178 569 HD1 TYR 70 HD2 TYR 70 4.268 -5.007 -5.698 570 HD2 TYR 70 HD1 TYR 70 3.749 -4.460 -1.511 571 HE1 TYR 70 HE2 TYR 70 1.925 -5.724 -5.901 572 HE2 TYR 70 HE1 TYR 70 1.404 -5.176 -1.702 573 HH TYR 70 HH TYR 70 0.178 -6.802 -4.236 574 H ASN 71 HN ASN 71 8.370 -6.815 -4.835 575 HA ASN 71 HA ASN 71 7.940 -5.640 -7.497 576 HB2 ASN 71 HB2 ASN 71 10.312 -6.390 -7.951 577 HB3 ASN 71 HB1 ASN 71 10.143 -5.092 -6.772 578 HD21 ASN 71 HD21 ASN 71 12.444 -6.345 -6.710 579 HD22 ASN 71 HD22 ASN 71 12.558 -7.432 -5.372 580 H LEU 72 HN LEU 72 6.652 -6.991 -8.590 581 HA LEU 72 HA LEU 72 7.615 -9.669 -9.113 582 HB2 LEU 72 HB2 LEU 72 5.038 -10.356 -8.752 583 HB3 LEU 72 HB1 LEU 72 6.285 -10.577 -7.543 584 HG LEU 72 HG LEU 72 4.086 -9.584 -6.756 585 HD11 LEU 72 HD11 LEU 72 6.106 -7.597 -6.013 586 HD12 LEU 72 HD12 LEU 72 6.623 -9.275 -5.849 587 HD13 LEU 72 HD13 LEU 72 5.179 -8.711 -5.009 588 HD21 LEU 72 HD21 LEU 72 4.365 -7.894 -8.858 589 HD22 LEU 72 HD22 LEU 72 4.974 -6.900 -7.534 590 HD23 LEU 72 HD23 LEU 72 3.350 -7.584 -7.450 591 H ALA 73 HN ALA 73 6.502 -10.699 -10.911 592 HA ALA 73 HA ALA 73 6.175 -9.043 -13.107 593 HB1 ALA 73 HB1 ALA 73 4.817 -11.166 -13.959 594 HB2 ALA 73 HB2 ALA 73 5.550 -11.880 -12.523 595 HB3 ALA 73 HB3 ALA 73 6.572 -11.177 -13.777 596 H ASP 74 HN ASP 74 3.859 -10.027 -10.704 597 HA ASP 74 HA ASP 74 1.651 -8.878 -12.244 598 HB2 ASP 74 HB2 ASP 74 1.782 -10.595 -9.775 599 HB3 ASP 74 HB1 ASP 74 0.304 -9.748 -10.223 600 H GLY 75 HN GLY 75 3.789 -7.236 -11.085 601 HA2 GLY 75 HA2 GLY 75 2.261 -5.114 -10.102 602 HA3 GLY 75 HA1 GLY 75 2.928 -5.965 -8.718 603 H THR 76 HN THR 76 4.533 -5.610 -11.826 604 HA THR 76 HA THR 76 6.619 -4.864 -12.329 605 HB THR 76 HB THR 76 5.186 -2.840 -12.468 606 HG1 THR 76 HG1 THR 76 6.884 -1.593 -12.813 607 HG21 THR 76 HG21 THR 76 4.434 -2.258 -10.382 608 HG22 THR 76 HG22 THR 76 5.748 -1.107 -10.624 609 HG23 THR 76 HG23 THR 76 6.001 -2.534 -9.620 610 H GLU 77 HN GLU 77 8.247 -3.000 -10.958 611 HA GLU 77 HA GLU 77 9.004 -4.545 -8.570 612 HB2 GLU 77 HB2 GLU 77 10.737 -3.371 -10.732 613 HB3 GLU 77 HB1 GLU 77 11.381 -3.810 -9.156 614 HG2 GLU 77 HG2 GLU 77 10.006 -6.065 -9.897 615 HG3 GLU 77 HG1 GLU 77 10.671 -5.488 -11.424 616 H LEU 78 HN LEU 78 8.554 -3.341 -6.830 617 HA LEU 78 HA LEU 78 9.388 -0.521 -6.871 618 HB2 LEU 78 HB2 LEU 78 6.824 -1.745 -6.020 619 HB3 LEU 78 HB1 LEU 78 7.444 -0.448 -5.024 620 HG LEU 78 HG LEU 78 7.545 0.284 -7.813 621 HD11 LEU 78 HD11 LEU 78 4.827 0.505 -7.513 622 HD12 LEU 78 HD12 LEU 78 5.165 -1.125 -6.926 623 HD13 LEU 78 HD13 LEU 78 5.665 -0.653 -8.551 624 HD21 LEU 78 HD21 LEU 78 7.673 1.942 -6.120 625 HD22 LEU 78 HD22 LEU 78 6.149 1.407 -5.407 626 HD23 LEU 78 HD23 LEU 78 6.161 2.173 -6.994 627 H ARG 79 HN ARG 79 11.013 -0.206 -5.544 628 HA ARG 79 HA ARG 79 11.152 -1.739 -3.028 629 HB2 ARG 79 HB2 ARG 79 12.888 -2.024 -5.092 630 HB3 ARG 79 HB1 ARG 79 13.675 -0.730 -4.197 631 HG2 ARG 79 HG2 ARG 79 13.021 -2.552 -2.235 632 HG3 ARG 79 HG1 ARG 79 13.480 -3.568 -3.602 633 HD2 ARG 79 HD2 ARG 79 15.193 -1.239 -2.858 634 HD3 ARG 79 HD1 ARG 79 15.288 -2.722 -1.909 635 HE ARG 79 HE ARG 79 15.505 -3.195 -4.723 636 HH11 ARG 79 HH11 ARG 79 17.281 -2.243 -1.874 637 HH12 ARG 79 HH12 ARG 79 18.808 -2.771 -2.497 638 HH21 ARG 79 HH21 ARG 79 17.512 -3.890 -5.544 639 HH22 ARG 79 HH22 ARG 79 18.940 -3.706 -4.581 640 H GLY 80 HN GLY 80 11.041 -0.461 -1.262 641 HA2 GLY 80 HA2 GLY 80 12.331 2.176 -1.369 642 HA3 GLY 80 HA1 GLY 80 10.629 2.119 -0.956 643 H THR 81 HN THR 81 10.303 2.336 1.157 644 HA THR 81 HA THR 81 11.669 0.651 3.051 645 HB THR 81 HB THR 81 12.308 2.635 4.514 646 HG1 THR 81 HG1 THR 81 12.160 3.995 2.026 647 HG21 THR 81 HG21 THR 81 14.437 2.531 3.840 648 HG22 THR 81 HG22 THR 81 14.042 2.898 2.160 649 HG23 THR 81 HG23 THR 81 13.835 1.260 2.777 650 H TRP 82 HN TRP 82 10.652 0.563 5.080 651 HA TRP 82 HA TRP 82 8.095 2.021 5.269 652 HB2 TRP 82 HB2 TRP 82 8.173 -0.606 4.691 653 HB3 TRP 82 HB1 TRP 82 8.251 -0.703 6.447 654 HD1 TRP 82 HD1 TRP 82 5.942 0.560 3.637 655 HE1 TRP 82 HE1 TRP 82 3.546 0.702 4.567 656 HE3 TRP 82 HE3 TRP 82 6.908 -0.511 8.541 657 HZ2 TRP 82 HZ2 TRP 82 2.240 0.401 7.050 658 HZ3 TRP 82 HZ3 TRP 82 5.032 -0.560 10.129 659 HH2 TRP 82 HH2 TRP 82 2.746 -0.114 9.399 660 H SER 83 HN SER 83 7.853 3.101 7.119 661 HA SER 83 HA SER 83 9.180 2.155 9.541 662 HB2 SER 83 HB2 SER 83 9.991 4.507 8.007 663 HB3 SER 83 HB1 SER 83 9.619 4.885 9.688 664 HG SER 83 HG SER 83 11.804 3.756 8.722 665 H LEU 84 HN LEU 84 8.252 2.906 11.469 666 HA LEU 84 HA LEU 84 5.669 4.282 11.129 667 HB2 LEU 84 HB2 LEU 84 5.923 1.718 11.898 668 HB3 LEU 84 HB1 LEU 84 6.050 2.500 13.462 669 HG LEU 84 HG LEU 84 3.805 3.454 11.830 670 HD11 LEU 84 HD11 LEU 84 2.523 1.565 11.730 671 HD12 LEU 84 HD12 LEU 84 3.400 0.766 13.034 672 HD13 LEU 84 HD13 LEU 84 4.118 0.876 11.426 673 HD21 LEU 84 HD21 LEU 84 2.759 2.671 14.164 674 HD22 LEU 84 HD22 LEU 84 3.595 4.209 13.954 675 HD23 LEU 84 HD23 LEU 84 4.448 2.830 14.647 676 H GLU 85 HN GLU 85 5.355 6.062 12.286 677 HA GLU 85 HA GLU 85 7.222 6.636 14.494 678 HB2 GLU 85 HB2 GLU 85 5.971 8.590 12.553 679 HB3 GLU 85 HB1 GLU 85 6.995 9.026 13.914 680 HG2 GLU 85 HG2 GLU 85 8.567 7.237 12.601 681 HG3 GLU 85 HG1 GLU 85 7.707 8.008 11.268 682 H GLY 86 HN GLY 86 5.997 6.097 16.234 683 HA2 GLY 86 HA2 GLY 86 4.463 6.529 17.907 684 HA3 GLY 86 HA1 GLY 86 3.855 7.867 16.946 685 H ASN 87 HN ASN 87 1.948 7.643 15.954 686 HA ASN 87 HA ASN 87 0.758 4.950 15.926 687 HB2 ASN 87 HB2 ASN 87 -0.749 7.565 16.027 688 HB3 ASN 87 HB1 ASN 87 -1.400 5.945 16.258 689 HD21 ASN 87 HD21 ASN 87 -0.531 4.730 18.118 690 HD22 ASN 87 HD22 ASN 87 -0.177 5.605 19.565 691 H LYS 88 HN LYS 88 2.365 6.478 13.834 692 HA LYS 88 HA LYS 88 0.446 6.055 11.653 693 HB2 LYS 88 HB2 LYS 88 1.645 8.025 10.490 694 HB3 LYS 88 HB1 LYS 88 0.434 8.385 11.712 695 HG2 LYS 88 HG2 LYS 88 2.384 8.528 13.353 696 HG3 LYS 88 HG1 LYS 88 3.417 8.578 11.923 697 HD2 LYS 88 HD2 LYS 88 1.611 10.448 11.245 698 HD3 LYS 88 HD1 LYS 88 1.560 10.609 13.002 699 HE2 LYS 88 HE2 LYS 88 3.646 11.464 13.116 700 HE3 LYS 88 HE1 LYS 88 4.250 10.434 11.819 701 HZ1 LYS 88 HZ1 LYS 88 2.781 11.967 10.352 702 HZ2 LYS 88 HZ2 LYS 88 4.308 12.496 10.851 703 HZ3 LYS 88 HZ3 LYS 88 2.921 13.049 11.646 704 H LEU 89 HN LEU 89 1.287 5.228 9.763 705 HA LEU 89 HA LEU 89 4.098 4.353 9.899 706 HB2 LEU 89 HB2 LEU 89 3.487 2.406 8.633 707 HB3 LEU 89 HB1 LEU 89 2.423 2.534 10.021 708 HG LEU 89 HG LEU 89 0.844 3.753 8.294 709 HD11 LEU 89 HD11 LEU 89 2.940 2.572 6.632 710 HD12 LEU 89 HD12 LEU 89 1.760 3.827 6.255 711 HD13 LEU 89 HD13 LEU 89 1.302 2.128 6.153 712 HD21 LEU 89 HD21 LEU 89 0.478 1.059 7.600 713 HD22 LEU 89 HD22 LEU 89 -0.327 1.964 8.880 714 HD23 LEU 89 HD23 LEU 89 1.144 1.059 9.233 715 H ILE 90 HN ILE 90 5.417 4.664 8.139 716 HA ILE 90 HA ILE 90 4.216 5.997 5.805 717 HB ILE 90 HB ILE 90 6.965 6.732 6.745 718 HG12 ILE 90 HG12 ILE 90 5.318 8.820 7.543 719 HG13 ILE 90 HG11 ILE 90 4.438 7.384 8.055 720 HG21 ILE 90 HG21 ILE 90 6.344 7.371 4.500 721 HG22 ILE 90 HG22 ILE 90 6.445 8.807 5.518 722 HG23 ILE 90 HG23 ILE 90 4.870 8.135 5.092 723 HD11 ILE 90 HD11 ILE 90 7.322 7.488 8.685 724 HD12 ILE 90 HD12 ILE 90 5.975 6.835 9.618 725 HD13 ILE 90 HD13 ILE 90 6.256 8.576 9.573 726 H GLY 91 HN GLY 91 4.294 4.258 4.445 727 HA2 GLY 91 HA2 GLY 91 6.717 2.698 4.156 728 HA3 GLY 91 HA1 GLY 91 5.213 2.465 3.277 729 H LYS 92 HN LYS 92 7.577 2.294 1.925 730 HA LYS 92 HA LYS 92 7.300 4.486 0.050 731 HB2 LYS 92 HB2 LYS 92 9.561 4.251 1.903 732 HB3 LYS 92 HB1 LYS 92 10.045 4.381 0.219 733 HG2 LYS 92 HG2 LYS 92 9.889 6.577 0.516 734 HG3 LYS 92 HG1 LYS 92 8.145 6.335 0.444 735 HD2 LYS 92 HD2 LYS 92 8.602 5.764 3.040 736 HD3 LYS 92 HD1 LYS 92 9.882 6.942 2.746 737 HE2 LYS 92 HE2 LYS 92 7.948 8.304 1.623 738 HE3 LYS 92 HE1 LYS 92 6.920 7.281 2.626 739 HZ1 LYS 92 HZ1 LYS 92 7.398 9.265 3.823 740 HZ2 LYS 92 HZ2 LYS 92 9.060 9.118 3.549 741 HZ3 LYS 92 HZ3 LYS 92 8.270 8.015 4.558 742 H PHE 93 HN PHE 93 8.309 4.088 -1.982 743 HA PHE 93 HA PHE 93 9.494 1.463 -2.419 744 HB2 PHE 93 HB2 PHE 93 7.011 2.392 -3.877 745 HB3 PHE 93 HB1 PHE 93 8.073 1.130 -4.451 746 HD1 PHE 93 HD1 PHE 93 8.405 -0.918 -3.015 747 HD2 PHE 93 HD2 PHE 93 5.249 1.880 -2.402 748 HE1 PHE 93 HE1 PHE 93 7.128 -2.630 -1.800 749 HE2 PHE 93 HE2 PHE 93 3.976 0.168 -1.178 750 HZ PHE 93 HZ PHE 93 4.910 -2.089 -0.883 751 H LYS 94 HN LYS 94 10.144 1.273 -4.776 752 HA LYS 94 HA LYS 94 10.608 3.746 -6.169 753 HB2 LYS 94 HB2 LYS 94 12.547 3.303 -4.451 754 HB3 LYS 94 HB1 LYS 94 13.073 2.140 -5.658 755 HG2 LYS 94 HG2 LYS 94 14.070 3.772 -6.735 756 HG3 LYS 94 HG1 LYS 94 12.488 4.476 -7.056 757 HD2 LYS 94 HD2 LYS 94 12.907 6.185 -5.695 758 HD3 LYS 94 HD1 LYS 94 13.337 5.091 -4.377 759 HE2 LYS 94 HE2 LYS 94 15.552 4.806 -5.686 760 HE3 LYS 94 HE1 LYS 94 15.082 6.315 -6.471 761 HZ1 LYS 94 HZ1 LYS 94 14.936 6.269 -3.564 762 HZ2 LYS 94 HZ2 LYS 94 15.443 7.504 -4.602 763 HZ3 LYS 94 HZ3 LYS 94 16.491 6.230 -4.230 764 H ARG 95 HN ARG 95 10.548 3.416 -8.294 765 HA ARG 95 HA ARG 95 10.104 0.763 -9.280 766 HB2 ARG 95 HB2 ARG 95 9.937 3.502 -10.368 767 HB3 ARG 95 HB1 ARG 95 10.308 2.244 -11.537 768 HG2 ARG 95 HG2 ARG 95 8.237 1.136 -10.143 769 HG3 ARG 95 HG1 ARG 95 7.811 2.848 -10.154 770 HD2 ARG 95 HD2 ARG 95 6.841 1.836 -12.089 771 HD3 ARG 95 HD1 ARG 95 8.182 2.850 -12.620 772 HE ARG 95 HE ARG 95 9.197 0.296 -12.269 773 HH11 ARG 95 HH11 ARG 95 6.820 1.868 -14.283 774 HH12 ARG 95 HH12 ARG 95 7.033 0.771 -15.606 775 HH21 ARG 95 HH21 ARG 95 9.479 -1.148 -14.008 776 HH22 ARG 95 HH22 ARG 95 8.542 -0.942 -15.450 777 H THR 96 HN THR 96 11.358 -0.485 -10.544 778 HA THR 96 HA THR 96 14.175 -0.161 -10.340 779 HB THR 96 HB THR 96 12.288 -2.197 -11.169 780 HG1 THR 96 HG1 THR 96 13.507 -3.264 -9.852 781 HG21 THR 96 HG21 THR 96 13.295 -1.939 -13.382 782 HG22 THR 96 HG22 THR 96 13.734 -3.474 -12.633 783 HG23 THR 96 HG23 THR 96 14.896 -2.147 -12.673 784 H ASP 97 HN ASP 97 11.827 0.775 -12.686 785 HA ASP 97 HA ASP 97 13.224 0.806 -15.057 786 HB2 ASP 97 HB2 ASP 97 10.857 1.443 -14.854 787 HB3 ASP 97 HB1 ASP 97 11.325 2.932 -14.038 788 H ASN 98 HN ASN 98 13.361 3.150 -12.416 789 HA ASN 98 HA ASN 98 16.017 3.914 -13.014 790 HB2 ASN 98 HB2 ASN 98 14.477 5.107 -14.793 791 HB3 ASN 98 HB1 ASN 98 14.149 6.209 -13.459 792 HD21 ASN 98 HD21 ASN 98 16.958 4.569 -14.886 793 HD22 ASN 98 HD22 ASN 98 17.979 5.962 -14.895 794 H GLY 99 HN GLY 99 14.487 3.056 -10.770 795 HA2 GLY 99 HA2 GLY 99 14.095 3.534 -8.570 796 HA3 GLY 99 HA1 GLY 99 15.495 4.582 -8.721 797 H ASN 100 HN ASN 100 12.048 4.587 -9.648 798 HA ASN 100 HA ASN 100 11.909 7.454 -9.377 799 HB2 ASN 100 HB2 ASN 100 9.877 5.328 -10.005 800 HB3 ASN 100 HB1 ASN 100 9.405 7.002 -9.755 801 HD21 ASN 100 HD21 ASN 100 8.639 6.959 -11.930 802 HD22 ASN 100 HD22 ASN 100 9.740 7.162 -13.245 803 H GLU 101 HN GLU 101 11.231 8.586 -7.676 804 HA GLU 101 HA GLU 101 11.097 7.399 -5.131 805 HB2 GLU 101 HB2 GLU 101 10.283 10.189 -5.951 806 HB3 GLU 101 HB1 GLU 101 10.619 9.646 -4.311 807 HG2 GLU 101 HG2 GLU 101 12.913 9.323 -4.794 808 HG3 GLU 101 HG1 GLU 101 12.642 9.532 -6.521 809 H LEU 102 HN LEU 102 9.485 6.735 -3.934 810 HA LEU 102 HA LEU 102 6.733 7.434 -4.636 811 HB2 LEU 102 HB2 LEU 102 7.507 5.261 -5.707 812 HB3 LEU 102 HB1 LEU 102 7.559 4.593 -4.087 813 HG LEU 102 HG LEU 102 4.999 5.862 -4.718 814 HD11 LEU 102 HD11 LEU 102 4.799 3.380 -6.018 815 HD12 LEU 102 HD12 LEU 102 6.171 4.225 -6.735 816 HD13 LEU 102 HD13 LEU 102 4.584 4.990 -6.703 817 HD21 LEU 102 HD21 LEU 102 5.120 3.016 -4.060 818 HD22 LEU 102 HD22 LEU 102 4.232 4.326 -3.283 819 HD23 LEU 102 HD23 LEU 102 5.934 4.067 -2.901 820 H ASN 103 HN ASN 103 5.995 8.359 -2.827 821 HA ASN 103 HA ASN 103 6.850 7.288 -0.239 822 HB2 ASN 103 HB2 ASN 103 5.378 9.879 -0.520 823 HB3 ASN 103 HB1 ASN 103 6.543 9.387 0.702 824 HD21 ASN 103 HD21 ASN 103 6.632 11.829 -0.646 825 HD22 ASN 103 HD22 ASN 103 8.063 11.870 -1.613 826 H THR 104 HN THR 104 5.385 6.903 1.403 827 HA THR 104 HA THR 104 2.540 6.906 0.743 828 HB THR 104 HB THR 104 2.184 4.641 1.158 829 HG1 THR 104 HG1 THR 104 3.160 3.832 2.805 830 HG21 THR 104 HG21 THR 104 3.546 4.972 -0.928 831 HG22 THR 104 HG22 THR 104 3.595 3.357 -0.222 832 HG23 THR 104 HG23 THR 104 4.950 4.463 0.010 833 H VAL 105 HN VAL 105 1.550 7.948 2.333 834 HA VAL 105 HA VAL 105 2.580 7.614 5.074 835 HB VAL 105 HB VAL 105 1.253 10.116 4.040 836 HG11 VAL 105 HG11 VAL 105 2.633 10.927 6.150 837 HG12 VAL 105 HG12 VAL 105 2.425 9.241 6.624 838 HG13 VAL 105 HG13 VAL 105 1.013 10.248 6.304 839 HG21 VAL 105 HG21 VAL 105 3.156 10.587 2.981 840 HG22 VAL 105 HG22 VAL 105 3.967 9.181 3.670 841 HG23 VAL 105 HG23 VAL 105 3.919 10.699 4.567 842 H ARG 106 HN ARG 106 1.189 6.783 6.457 843 HA ARG 106 HA ARG 106 -1.693 7.069 5.920 844 HB2 ARG 106 HB2 ARG 106 -1.100 4.803 5.398 845 HB3 ARG 106 HB1 ARG 106 -0.175 4.643 6.882 846 HG2 ARG 106 HG2 ARG 106 -2.310 4.926 8.148 847 HG3 ARG 106 HG1 ARG 106 -3.162 4.853 6.604 848 HD2 ARG 106 HD2 ARG 106 -1.237 2.686 7.021 849 HD3 ARG 106 HD1 ARG 106 -2.563 2.704 8.182 850 HE ARG 106 HE ARG 106 -3.683 3.020 5.663 851 HH11 ARG 106 HH11 ARG 106 -1.859 0.603 7.398 852 HH12 ARG 106 HH12 ARG 106 -2.554 -0.725 6.530 853 HH21 ARG 106 HH21 ARG 106 -4.598 1.275 4.520 854 HH22 ARG 106 HH22 ARG 106 -4.109 -0.343 4.896 855 H GLU 107 HN GLU 107 -2.615 8.247 7.451 856 HA GLU 107 HA GLU 107 -1.498 8.155 10.175 857 HB2 GLU 107 HB2 GLU 107 -3.323 10.340 9.251 858 HB3 GLU 107 HB1 GLU 107 -2.078 10.382 10.491 859 HG2 GLU 107 HG2 GLU 107 -0.625 9.883 8.231 860 HG3 GLU 107 HG1 GLU 107 -1.907 10.935 7.632 861 H ILE 108 HN ILE 108 -3.001 8.272 11.959 862 HA ILE 108 HA ILE 108 -5.415 6.739 11.406 863 HB ILE 108 HB ILE 108 -4.442 7.575 14.129 864 HG12 ILE 108 HG12 ILE 108 -2.675 6.356 12.719 865 HG13 ILE 108 HG11 ILE 108 -3.056 5.676 14.296 866 HG21 ILE 108 HG21 ILE 108 -6.178 5.311 13.161 867 HG22 ILE 108 HG22 ILE 108 -6.691 6.726 14.079 868 HG23 ILE 108 HG23 ILE 108 -5.639 5.524 14.826 869 HD11 ILE 108 HD11 ILE 108 -3.642 3.743 13.386 870 HD12 ILE 108 HD12 ILE 108 -3.036 4.359 11.849 871 HD13 ILE 108 HD13 ILE 108 -4.741 4.538 12.260 872 H ILE 109 HN ILE 109 -6.884 8.161 10.574 873 HA ILE 109 HA ILE 109 -7.408 10.679 11.893 874 HB ILE 109 HB ILE 109 -7.497 10.275 9.367 875 HG12 ILE 109 HG12 ILE 109 -9.208 11.938 9.051 876 HG13 ILE 109 HG11 ILE 109 -9.954 11.536 10.594 877 HG21 ILE 109 HG21 ILE 109 -10.298 9.612 9.387 878 HG22 ILE 109 HG22 ILE 109 -9.343 8.347 10.158 879 HG23 ILE 109 HG23 ILE 109 -8.969 8.853 8.508 880 HD11 ILE 109 HD11 ILE 109 -8.220 13.587 10.169 881 HD12 ILE 109 HD12 ILE 109 -7.152 12.332 10.802 882 HD13 ILE 109 HD13 ILE 109 -8.556 12.849 11.736 883 H GLY 110 HN GLY 110 -7.820 9.085 13.812 884 HA2 GLY 110 HA2 GLY 110 -9.478 8.789 15.393 885 HA3 GLY 110 HA1 GLY 110 -10.688 9.140 14.188 886 H ASP 111 HN ASP 111 -11.998 7.488 14.043 887 HA ASP 111 HA ASP 111 -11.192 4.802 14.613 888 HB2 ASP 111 HB2 ASP 111 -13.555 6.005 14.809 889 HB3 ASP 111 HB1 ASP 111 -13.744 5.370 13.178 890 H GLU 112 HN GLU 112 -10.732 6.726 11.927 891 HA GLU 112 HA GLU 112 -10.523 4.349 10.196 892 HB2 GLU 112 HB2 GLU 112 -11.267 7.112 9.232 893 HB3 GLU 112 HB1 GLU 112 -11.258 5.623 8.299 894 HG2 GLU 112 HG2 GLU 112 -13.091 4.757 9.643 895 HG3 GLU 112 HG1 GLU 112 -13.086 6.233 10.602 896 H LEU 113 HN LEU 113 -9.159 5.006 8.169 897 HA LEU 113 HA LEU 113 -6.793 6.485 9.121 898 HB2 LEU 113 HB2 LEU 113 -7.020 3.854 7.745 899 HB3 LEU 113 HB1 LEU 113 -5.638 4.861 7.381 900 HG LEU 113 HG LEU 113 -5.440 3.061 9.221 901 HD11 LEU 113 HD11 LEU 113 -4.428 5.472 10.452 902 HD12 LEU 113 HD12 LEU 113 -4.137 5.447 8.715 903 HD13 LEU 113 HD13 LEU 113 -3.559 4.122 9.724 904 HD21 LEU 113 HD21 LEU 113 -6.564 5.237 10.952 905 HD22 LEU 113 HD22 LEU 113 -6.184 3.568 11.378 906 HD23 LEU 113 HD23 LEU 113 -7.566 3.921 10.343 907 H VAL 114 HN VAL 114 -5.789 7.855 7.736 908 HA VAL 114 HA VAL 114 -7.067 8.246 5.097 909 HB VAL 114 HB VAL 114 -7.493 10.177 6.489 910 HG11 VAL 114 HG11 VAL 114 -6.109 10.848 8.084 911 HG12 VAL 114 HG12 VAL 114 -4.871 11.233 6.888 912 HG13 VAL 114 HG13 VAL 114 -4.954 9.614 7.579 913 HG21 VAL 114 HG21 VAL 114 -6.444 10.308 4.015 914 HG22 VAL 114 HG22 VAL 114 -5.281 11.300 4.894 915 HG23 VAL 114 HG23 VAL 114 -6.993 11.720 4.918 916 H GLN 115 HN GLN 115 -5.775 7.333 3.632 917 HA GLN 115 HA GLN 115 -2.893 7.341 4.030 918 HB2 GLN 115 HB2 GLN 115 -4.398 6.046 1.765 919 HB3 GLN 115 HB1 GLN 115 -2.780 5.674 2.343 920 HG2 GLN 115 HG2 GLN 115 -3.526 4.341 3.983 921 HG3 GLN 115 HG1 GLN 115 -4.904 5.379 4.346 922 HE21 GLN 115 HE21 GLN 115 -3.690 3.023 2.016 923 HE22 GLN 115 HE22 GLN 115 -5.237 2.390 1.578 924 H THR 116 HN THR 116 -1.427 8.297 2.765 925 HA THR 116 HA THR 116 -2.301 9.822 0.418 926 HB THR 116 HB THR 116 -0.262 11.203 1.994 927 HG1 THR 116 HG1 THR 116 -2.881 11.031 3.058 928 HG21 THR 116 HG21 THR 116 -1.298 13.121 1.327 929 HG22 THR 116 HG22 THR 116 -2.898 12.381 1.309 930 HG23 THR 116 HG23 THR 116 -1.748 12.027 0.020 931 H TYR 117 HN TYR 117 -1.137 9.025 -1.208 932 HA TYR 117 HA TYR 117 1.662 8.270 -0.681 933 HB2 TYR 117 HB2 TYR 117 -0.050 7.172 -2.910 934 HB3 TYR 117 HB1 TYR 117 1.485 6.552 -2.316 935 HD1 TYR 117 HD2 TYR 117 -2.072 7.053 -1.306 936 HD2 TYR 117 HD1 TYR 117 1.529 4.866 -0.714 937 HE1 TYR 117 HE2 TYR 117 -3.266 5.498 0.173 938 HE2 TYR 117 HE1 TYR 117 0.343 3.303 0.765 939 HH TYR 117 HH TYR 117 -1.884 2.540 1.233 940 H VAL 118 HN VAL 118 3.143 8.550 -2.504 941 HA VAL 118 HA VAL 118 2.304 10.317 -4.623 942 HB VAL 118 HB VAL 118 2.894 11.857 -2.763 943 HG11 VAL 118 HG11 VAL 118 5.736 11.660 -2.914 944 HG12 VAL 118 HG12 VAL 118 5.077 10.092 -2.448 945 HG13 VAL 118 HG13 VAL 118 4.688 11.528 -1.501 946 HG21 VAL 118 HG21 VAL 118 3.090 12.627 -5.023 947 HG22 VAL 118 HG22 VAL 118 4.671 11.867 -5.191 948 HG23 VAL 118 HG23 VAL 118 4.464 13.240 -4.103 949 H TYR 119 HN TYR 119 3.564 10.131 -6.445 950 HA TYR 119 HA TYR 119 6.175 8.922 -6.319 951 HB2 TYR 119 HB2 TYR 119 5.088 6.860 -6.345 952 HB3 TYR 119 HB1 TYR 119 3.807 7.429 -7.395 953 HD1 TYR 119 HD1 TYR 119 4.203 7.631 -9.833 954 HD2 TYR 119 HD2 TYR 119 7.133 6.011 -7.229 955 HE1 TYR 119 HE1 TYR 119 5.383 6.656 -11.761 956 HE2 TYR 119 HE2 TYR 119 8.312 5.027 -9.136 957 HH TYR 119 HH TYR 119 7.987 4.410 -11.388 958 H GLU 120 HN GLU 120 7.180 10.433 -7.424 959 HA GLU 120 HA GLU 120 7.629 12.040 -8.991 960 HB2 GLU 120 HB2 GLU 120 6.848 9.995 -11.033 961 HB3 GLU 120 HB1 GLU 120 8.209 11.105 -11.034 962 HG2 GLU 120 HG2 GLU 120 8.576 9.462 -8.803 963 HG3 GLU 120 HG1 GLU 120 8.066 8.399 -10.111 964 H GLY 121 HN GLY 121 5.976 13.553 -8.690 965 HA2 GLY 121 HA2 GLY 121 4.354 14.962 -9.485 966 HA3 GLY 121 HA1 GLY 121 4.410 14.071 -10.987 967 H VAL 122 HN VAL 122 3.680 11.618 -9.096 968 HA VAL 122 HA VAL 122 0.801 12.159 -9.300 969 HB VAL 122 HB VAL 122 2.398 9.638 -9.591 970 HG11 VAL 122 HG11 VAL 122 -0.215 9.819 -8.377 971 HG12 VAL 122 HG12 VAL 122 0.893 8.456 -8.525 972 HG13 VAL 122 HG13 VAL 122 -0.209 8.838 -9.840 973 HG21 VAL 122 HG21 VAL 122 0.635 11.334 -11.247 974 HG22 VAL 122 HG22 VAL 122 0.546 9.594 -11.517 975 HG23 VAL 122 HG23 VAL 122 2.083 10.435 -11.685 976 H GLU 123 HN GLU 123 -0.121 12.668 -7.451 977 HA GLU 123 HA GLU 123 0.706 11.254 -5.003 978 HB2 GLU 123 HB2 GLU 123 0.761 13.947 -5.388 979 HB3 GLU 123 HB1 GLU 123 -0.853 13.746 -4.723 980 HG2 GLU 123 HG2 GLU 123 -0.055 13.485 -2.676 981 HG3 GLU 123 HG1 GLU 123 1.059 12.232 -3.202 982 H ALA 124 HN ALA 124 -0.745 9.812 -4.309 983 HA ALA 124 HA ALA 124 -3.575 10.296 -4.934 984 HB1 ALA 124 HB1 ALA 124 -3.916 7.919 -5.236 985 HB2 ALA 124 HB2 ALA 124 -2.235 7.599 -4.804 986 HB3 ALA 124 HB3 ALA 124 -2.611 8.468 -6.291 987 H LYS 125 HN LYS 125 -5.057 10.050 -3.379 988 HA LYS 125 HA LYS 125 -4.067 9.388 -0.682 989 HB2 LYS 125 HB2 LYS 125 -6.310 11.164 -1.642 990 HB3 LYS 125 HB1 LYS 125 -6.200 10.624 0.027 991 HG2 LYS 125 HG2 LYS 125 -4.910 12.373 0.432 992 HG3 LYS 125 HG1 LYS 125 -3.673 11.626 -0.579 993 HD2 LYS 125 HD2 LYS 125 -5.356 12.759 -2.429 994 HD3 LYS 125 HD1 LYS 125 -5.393 13.928 -1.108 995 HE2 LYS 125 HE2 LYS 125 -2.753 13.450 -1.219 996 HE3 LYS 125 HE1 LYS 125 -3.178 13.155 -2.905 997 HZ1 LYS 125 HZ1 LYS 125 -3.646 15.314 -3.257 998 HZ2 LYS 125 HZ2 LYS 125 -2.611 15.560 -1.942 999 HZ3 LYS 125 HZ3 LYS 125 -4.287 15.561 -1.711 1000 H ARG 126 HN ARG 126 -5.787 8.343 0.750 1001 HA ARG 126 HA ARG 126 -7.884 6.916 -0.596 1002 HB2 ARG 126 HB2 ARG 126 -5.924 5.605 -1.266 1003 HB3 ARG 126 HB1 ARG 126 -5.496 5.371 0.418 1004 HG2 ARG 126 HG2 ARG 126 -7.123 3.820 0.766 1005 HG3 ARG 126 HG1 ARG 126 -8.202 4.521 -0.442 1006 HD2 ARG 126 HD2 ARG 126 -7.532 2.545 -1.448 1007 HD3 ARG 126 HD1 ARG 126 -6.426 3.725 -2.145 1008 HE ARG 126 HE ARG 126 -5.775 1.653 -0.192 1009 HH11 ARG 126 HH11 ARG 126 -4.702 4.361 -2.128 1010 HH12 ARG 126 HH12 ARG 126 -3.025 3.982 -1.942 1011 HH21 ARG 126 HH21 ARG 126 -3.570 1.164 0.047 1012 HH22 ARG 126 HH22 ARG 126 -2.382 2.171 -0.710 1013 H ILE 127 HN ILE 127 -9.484 7.010 0.814 1014 HA ILE 127 HA ILE 127 -9.035 7.181 3.655 1015 HB ILE 127 HB ILE 127 -11.732 6.678 2.440 1016 HG12 ILE 127 HG12 ILE 127 -10.692 8.450 1.074 1017 HG13 ILE 127 HG11 ILE 127 -12.019 9.071 2.046 1018 HG21 ILE 127 HG21 ILE 127 -11.200 8.634 4.607 1019 HG22 ILE 127 HG22 ILE 127 -11.048 6.917 4.982 1020 HG23 ILE 127 HG23 ILE 127 -12.573 7.554 4.366 1021 HD11 ILE 127 HD11 ILE 127 -9.210 9.772 2.042 1022 HD12 ILE 127 HD12 ILE 127 -9.852 9.474 3.657 1023 HD13 ILE 127 HD13 ILE 127 -10.610 10.677 2.613 1024 H PHE 128 HN PHE 128 -9.320 5.568 5.148 1025 HA PHE 128 HA PHE 128 -9.928 2.908 4.040 1026 HB2 PHE 128 HB2 PHE 128 -7.653 2.848 4.584 1027 HB3 PHE 128 HB1 PHE 128 -7.886 3.786 6.055 1028 HD1 PHE 128 HD1 PHE 128 -8.447 0.498 4.497 1029 HD2 PHE 128 HD2 PHE 128 -8.356 2.725 8.118 1030 HE1 PHE 128 HE1 PHE 128 -8.626 -1.561 5.772 1031 HE2 PHE 128 HE2 PHE 128 -8.511 0.634 9.402 1032 HZ PHE 128 HZ PHE 128 -8.659 -1.516 8.228 1033 H LYS 129 HN LYS 129 -10.848 1.350 5.414 1034 HA LYS 129 HA LYS 129 -12.107 2.243 7.885 1035 HB2 LYS 129 HB2 LYS 129 -13.723 0.870 5.735 1036 HB3 LYS 129 HB1 LYS 129 -14.304 1.497 7.269 1037 HG2 LYS 129 HG2 LYS 129 -13.077 3.305 5.229 1038 HG3 LYS 129 HG1 LYS 129 -14.777 2.844 5.144 1039 HD2 LYS 129 HD2 LYS 129 -13.790 3.801 7.763 1040 HD3 LYS 129 HD1 LYS 129 -13.906 5.002 6.476 1041 HE2 LYS 129 HE2 LYS 129 -15.949 4.728 7.948 1042 HE3 LYS 129 HE1 LYS 129 -16.219 4.642 6.207 1043 HZ1 LYS 129 HZ1 LYS 129 -16.253 2.236 6.361 1044 HZ2 LYS 129 HZ2 LYS 129 -17.417 2.905 7.390 1045 HZ3 LYS 129 HZ3 LYS 129 -15.969 2.308 8.028 1046 H LYS 130 HN LYS 130 -12.791 0.424 9.210 1047 HA LYS 130 HA LYS 130 -11.314 -2.015 8.487 1048 HB2 LYS 130 HB2 LYS 130 -11.477 -2.482 11.006 1049 HB3 LYS 130 HB1 LYS 130 -10.351 -1.251 10.454 1050 HG2 LYS 130 HG2 LYS 130 -12.092 0.462 10.992 1051 HG3 LYS 130 HG1 LYS 130 -13.043 -0.829 11.728 1052 HD2 LYS 130 HD2 LYS 130 -11.938 -0.306 13.610 1053 HD3 LYS 130 HD1 LYS 130 -10.593 -1.190 12.887 1054 HE2 LYS 130 HE2 LYS 130 -10.159 1.172 11.752 1055 HE3 LYS 130 HE1 LYS 130 -11.009 1.734 13.190 1056 HZ1 LYS 130 HZ1 LYS 130 -9.396 0.466 14.533 1057 HZ2 LYS 130 HZ2 LYS 130 -8.669 1.692 13.622 1058 HZ3 LYS 130 HZ3 LYS 130 -8.544 0.081 13.122 1059 H ASP 131 HN ASP 131 -12.171 -4.055 8.941 1060 HA ASP 131 HA ASP 131 -14.974 -4.268 8.422 1061 HB2 ASP 131 HB2 ASP 131 -12.907 -5.836 7.799 1062 HB3 ASP 131 HB1 ASP 131 -13.397 -6.643 9.285 1063 H2 KTR 201 H6 KET 1 -1.398 1.962 -4.982 1064 H3 KTR 201 H31 KET 1 2.291 -0.351 -2.110 1065 H4 KTR 201 H32 KET 1 3.063 0.742 -3.265 1066 H5 KTR 201 H21 KET 1 1.310 1.339 -0.978 1067 H6 KTR 201 H22 KET 1 2.635 2.295 -1.677 1068 H7 KTR 201 H1 KET 1 0.038 2.910 -2.213 1069 H8 KTR 201 H11 KET 1 -0.411 -2.969 -6.853 1070 H9 KTR 201 H13 KET 1 0.283 -3.525 -9.159 1071 H10 KTR 201 H15 KET 1 2.633 -3.202 -9.848 1072 H11 KTR 201 H14 KET 1 4.282 -2.332 -8.230 1073 H12 KTR 201 H12 KET 1 3.582 -1.783 -5.929 1074 H13 KTR 201 H7 KET 1 -1.083 -0.517 -5.941 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -2.697 0.055 17.210 2 H2 ALA 1 HT2 ALA 1 -2.010 -1.394 17.821 3 H3 ALA 1 HT3 ALA 1 -3.016 -0.430 18.822 4 HA ALA 1 HA ALA 1 -3.981 -2.499 17.824 5 HB1 ALA 1 HB1 ALA 1 -5.565 -1.215 18.835 6 HB2 ALA 1 HB2 ALA 1 -6.091 -1.037 17.161 7 HB3 ALA 1 HB3 ALA 1 -5.134 0.233 17.924 8 H PHE 2 HN PHE 2 -2.034 -1.845 15.843 9 HA PHE 2 HA PHE 2 -3.488 -1.348 13.388 10 HB2 PHE 2 HB2 PHE 2 -0.632 -1.581 14.164 11 HB3 PHE 2 HB1 PHE 2 -1.044 -2.009 12.505 12 HD1 PHE 2 HD2 PHE 2 -2.231 -0.313 11.078 13 HD2 PHE 2 HD1 PHE 2 -0.492 0.658 14.839 14 HE1 PHE 2 HE2 PHE 2 -2.255 2.071 10.467 15 HE2 PHE 2 HE1 PHE 2 -0.513 3.044 14.237 16 HZ PHE 2 HZ PHE 2 -1.395 3.752 12.050 17 H ASP 3 HN ASP 3 -1.673 -4.034 14.847 18 HA ASP 3 HA ASP 3 -1.930 -5.910 12.826 19 HB2 ASP 3 HB2 ASP 3 -0.564 -6.256 14.844 20 HB3 ASP 3 HB1 ASP 3 -2.026 -6.397 15.814 21 H SER 4 HN SER 4 -3.836 -6.135 11.770 22 HA SER 4 HA SER 4 -5.895 -7.686 12.841 23 HB2 SER 4 HB2 SER 4 -6.074 -5.081 13.785 24 HB3 SER 4 HB1 SER 4 -7.207 -5.109 12.435 25 HG SER 4 HG SER 4 -8.409 -6.590 13.444 26 H THR 5 HN THR 5 -8.078 -7.087 11.443 27 HA THR 5 HA THR 5 -7.201 -7.373 8.678 28 HB THR 5 HB THR 5 -9.948 -7.608 9.933 29 HG1 THR 5 HG1 THR 5 -8.010 -9.515 9.159 30 HG21 THR 5 HG21 THR 5 -10.862 -7.810 7.938 31 HG22 THR 5 HG22 THR 5 -9.642 -8.982 7.437 32 HG23 THR 5 HG23 THR 5 -9.340 -7.254 7.241 33 H TRP 6 HN TRP 6 -7.048 -5.618 7.407 34 HA TRP 6 HA TRP 6 -8.813 -3.346 8.032 35 HB2 TRP 6 HB2 TRP 6 -5.985 -3.363 7.051 36 HB3 TRP 6 HB1 TRP 6 -6.968 -1.948 6.959 37 HD1 TRP 6 HD1 TRP 6 -6.976 -4.313 9.980 38 HE1 TRP 6 HE1 TRP 6 -6.126 -3.026 12.034 39 HE3 TRP 6 HE3 TRP 6 -5.576 0.030 7.682 40 HZ2 TRP 6 HZ2 TRP 6 -5.013 -0.509 12.609 41 HZ3 TRP 6 HZ3 TRP 6 -4.624 1.832 9.063 42 HH2 TRP 6 HH2 TRP 6 -4.347 1.568 11.474 43 H LYS 7 HN LYS 7 -10.226 -2.885 6.596 44 HA LYS 7 HA LYS 7 -9.758 -3.607 3.778 45 HB2 LYS 7 HB2 LYS 7 -12.092 -4.006 3.489 46 HB3 LYS 7 HB1 LYS 7 -11.599 -4.880 4.932 47 HG2 LYS 7 HG2 LYS 7 -12.487 -3.027 6.308 48 HG3 LYS 7 HG1 LYS 7 -13.069 -2.255 4.832 49 HD2 LYS 7 HD2 LYS 7 -14.600 -3.999 4.405 50 HD3 LYS 7 HD1 LYS 7 -13.840 -5.060 5.593 51 HE2 LYS 7 HE2 LYS 7 -15.308 -4.341 7.094 52 HE3 LYS 7 HE1 LYS 7 -14.571 -2.742 6.988 53 HZ1 LYS 7 HZ1 LYS 7 -16.147 -2.673 4.861 54 HZ2 LYS 7 HZ2 LYS 7 -16.658 -2.179 6.396 55 HZ3 LYS 7 HZ3 LYS 7 -17.054 -3.723 5.831 56 H VAL 8 HN VAL 8 -9.482 -1.978 2.495 57 HA VAL 8 HA VAL 8 -9.785 0.699 3.293 58 HB VAL 8 HB VAL 8 -8.222 -0.277 1.527 59 HG11 VAL 8 HG11 VAL 8 -9.030 -0.219 -0.782 60 HG12 VAL 8 HG12 VAL 8 -10.660 0.135 -0.210 61 HG13 VAL 8 HG13 VAL 8 -9.908 -1.413 0.173 62 HG21 VAL 8 HG21 VAL 8 -8.254 2.054 1.962 63 HG22 VAL 8 HG22 VAL 8 -9.762 2.265 1.075 64 HG23 VAL 8 HG23 VAL 8 -8.282 1.846 0.212 65 H ASP 9 HN ASP 9 -11.370 2.172 3.024 66 HA ASP 9 HA ASP 9 -13.976 1.223 2.231 67 HB2 ASP 9 HB2 ASP 9 -14.333 2.631 3.982 68 HB3 ASP 9 HB1 ASP 9 -12.890 3.577 3.654 69 H ARG 10 HN ARG 10 -12.037 4.071 1.244 70 HA ARG 10 HA ARG 10 -12.966 3.615 -1.501 71 HB2 ARG 10 HB2 ARG 10 -13.200 6.121 -1.755 72 HB3 ARG 10 HB1 ARG 10 -14.440 5.323 -0.798 73 HG2 ARG 10 HG2 ARG 10 -13.172 6.002 1.247 74 HG3 ARG 10 HG1 ARG 10 -12.130 6.969 0.202 75 HD2 ARG 10 HD2 ARG 10 -13.621 8.598 0.608 76 HD3 ARG 10 HD1 ARG 10 -14.580 7.777 -0.623 77 HE ARG 10 HE ARG 10 -15.309 6.523 1.656 78 HH11 ARG 10 HH11 ARG 10 -15.146 9.886 0.739 79 HH12 ARG 10 HH12 ARG 10 -16.449 10.361 1.776 80 HH21 ARG 10 HH21 ARG 10 -17.023 7.146 3.020 81 HH22 ARG 10 HH22 ARG 10 -17.514 8.806 3.071 82 H SER 11 HN SER 11 -11.668 4.669 -3.135 83 HA SER 11 HA SER 11 -8.900 5.109 -2.254 84 HB2 SER 11 HB2 SER 11 -9.819 3.920 -4.879 85 HB3 SER 11 HB1 SER 11 -8.171 4.045 -4.298 86 HG SER 11 HG SER 11 -10.138 2.627 -2.864 87 H GLU 12 HN GLU 12 -7.690 6.700 -3.318 88 HA GLU 12 HA GLU 12 -9.150 8.442 -5.181 89 HB2 GLU 12 HB2 GLU 12 -8.813 9.137 -2.569 90 HB3 GLU 12 HB1 GLU 12 -7.366 9.830 -3.288 91 HG2 GLU 12 HG2 GLU 12 -9.824 10.371 -4.777 92 HG3 GLU 12 HG1 GLU 12 -9.789 11.050 -3.150 93 H ASN 13 HN ASN 13 -7.999 8.952 -6.933 94 HA ASN 13 HA ASN 13 -6.304 9.110 -8.420 95 HB2 ASN 13 HB2 ASN 13 -5.225 10.105 -5.884 96 HB3 ASN 13 HB1 ASN 13 -4.007 9.579 -7.031 97 HD21 ASN 13 HD21 ASN 13 -4.031 12.162 -6.349 98 HD22 ASN 13 HD22 ASN 13 -4.626 13.138 -7.644 99 H TYR 14 HN TYR 14 -6.790 6.534 -6.724 100 HA TYR 14 HA TYR 14 -4.391 5.137 -6.525 101 HB2 TYR 14 HB2 TYR 14 -6.830 4.515 -5.780 102 HB3 TYR 14 HB1 TYR 14 -6.921 3.759 -7.362 103 HD1 TYR 14 HD1 TYR 14 -4.130 2.710 -7.576 104 HD2 TYR 14 HD2 TYR 14 -6.869 2.673 -4.330 105 HE1 TYR 14 HE1 TYR 14 -3.031 0.703 -6.684 106 HE2 TYR 14 HE2 TYR 14 -5.777 0.668 -3.423 107 HH TYR 14 HH TYR 14 -3.416 -0.383 -3.602 108 H ASP 15 HN ASP 15 -6.699 5.400 -9.211 109 HA ASP 15 HA ASP 15 -5.438 3.762 -11.073 110 HB2 ASP 15 HB2 ASP 15 -7.688 5.153 -11.163 111 HB3 ASP 15 HB1 ASP 15 -6.667 6.337 -11.974 112 H LYS 16 HN LYS 16 -4.676 6.961 -9.962 113 HA LYS 16 HA LYS 16 -3.001 7.905 -11.967 114 HB2 LYS 16 HB2 LYS 16 -3.837 8.890 -9.632 115 HB3 LYS 16 HB1 LYS 16 -2.247 8.351 -9.119 116 HG2 LYS 16 HG2 LYS 16 -1.447 10.270 -9.854 117 HG3 LYS 16 HG1 LYS 16 -1.811 9.738 -11.492 118 HD2 LYS 16 HD2 LYS 16 -4.209 10.596 -10.921 119 HD3 LYS 16 HD1 LYS 16 -3.365 11.518 -9.673 120 HE2 LYS 16 HE2 LYS 16 -2.390 11.576 -12.500 121 HE3 LYS 16 HE1 LYS 16 -3.761 12.576 -12.022 122 HZ1 LYS 16 HZ1 LYS 16 -2.224 13.353 -10.150 123 HZ2 LYS 16 HZ2 LYS 16 -1.933 13.943 -11.708 124 HZ3 LYS 16 HZ3 LYS 16 -0.967 12.705 -11.080 125 H PHE 17 HN PHE 17 -2.320 5.786 -9.246 126 HA PHE 17 HA PHE 17 0.472 5.614 -9.828 127 HB2 PHE 17 HB2 PHE 17 -1.365 4.048 -8.019 128 HB3 PHE 17 HB1 PHE 17 0.344 3.639 -8.196 129 HD1 PHE 17 HD1 PHE 17 -1.136 7.006 -8.289 130 HD2 PHE 17 HD2 PHE 17 1.161 4.206 -6.013 131 HE1 PHE 17 HE1 PHE 17 -0.547 8.789 -6.734 132 HE2 PHE 17 HE2 PHE 17 1.757 6.010 -4.445 133 HZ PHE 17 HZ PHE 17 0.907 8.296 -4.802 134 H MET 18 HN MET 18 -2.331 3.975 -10.999 135 HA MET 18 HA MET 18 -1.043 1.631 -11.931 136 HB2 MET 18 HB2 MET 18 -3.625 3.016 -12.535 137 HB3 MET 18 HB1 MET 18 -3.074 1.735 -13.604 138 HG2 MET 18 HG2 MET 18 -4.468 0.662 -12.092 139 HG3 MET 18 HG1 MET 18 -2.847 0.322 -11.506 140 HE1 MET 18 HE1 MET 18 -2.797 0.309 -8.624 141 HE2 MET 18 HE2 MET 18 -2.416 1.999 -8.293 142 HE3 MET 18 HE3 MET 18 -1.731 1.201 -9.709 143 H GLU 19 HN GLU 19 -1.470 4.876 -13.231 144 HA GLU 19 HA GLU 19 -0.506 4.106 -15.839 145 HB2 GLU 19 HB2 GLU 19 -0.931 6.898 -14.776 146 HB3 GLU 19 HB1 GLU 19 -0.851 6.400 -16.462 147 HG2 GLU 19 HG2 GLU 19 -2.997 5.633 -14.496 148 HG3 GLU 19 HG1 GLU 19 -3.136 6.855 -15.759 149 H LYS 20 HN LYS 20 0.737 6.499 -13.456 150 HA LYS 20 HA LYS 20 3.211 6.804 -14.755 151 HB2 LYS 20 HB2 LYS 20 2.133 8.343 -13.052 152 HB3 LYS 20 HB1 LYS 20 2.729 7.241 -11.820 153 HG2 LYS 20 HG2 LYS 20 4.625 8.358 -11.822 154 HG3 LYS 20 HG1 LYS 20 4.927 7.772 -13.449 155 HD2 LYS 20 HD2 LYS 20 3.428 9.784 -14.158 156 HD3 LYS 20 HD1 LYS 20 3.828 10.414 -12.555 157 HE2 LYS 20 HE2 LYS 20 5.425 11.291 -14.083 158 HE3 LYS 20 HE1 LYS 20 6.239 10.065 -13.115 159 HZ1 LYS 20 HZ1 LYS 20 6.068 8.518 -14.915 160 HZ2 LYS 20 HZ2 LYS 20 6.760 9.942 -15.509 161 HZ3 LYS 20 HZ3 LYS 20 5.137 9.592 -15.832 162 H MET 21 HN MET 21 2.282 4.849 -11.940 163 HA MET 21 HA MET 21 4.891 3.744 -11.599 164 HB2 MET 21 HB2 MET 21 2.556 3.839 -10.105 165 HB3 MET 21 HB1 MET 21 2.713 2.138 -10.516 166 HG2 MET 21 HG2 MET 21 4.747 1.939 -9.401 167 HG3 MET 21 HG1 MET 21 5.004 3.683 -9.370 168 HE1 MET 21 HE1 MET 21 2.300 1.143 -6.749 169 HE2 MET 21 HE2 MET 21 2.776 0.851 -8.422 170 HE3 MET 21 HE3 MET 21 1.419 1.919 -8.064 171 H GLY 22 HN GLY 22 2.132 2.949 -13.558 172 HA2 GLY 22 HA2 GLY 22 2.002 1.437 -15.304 173 HA3 GLY 22 HA1 GLY 22 3.646 0.929 -14.938 174 H VAL 23 HN VAL 23 0.426 0.820 -13.426 175 HA VAL 23 HA VAL 23 1.060 -1.904 -12.494 176 HB VAL 23 HB VAL 23 -1.252 -0.259 -11.508 177 HG11 VAL 23 HG11 VAL 23 -0.815 -1.645 -9.444 178 HG12 VAL 23 HG12 VAL 23 0.296 -2.596 -10.431 179 HG13 VAL 23 HG13 VAL 23 -1.414 -2.522 -10.853 180 HG21 VAL 23 HG21 VAL 23 0.147 0.525 -9.663 181 HG22 VAL 23 HG22 VAL 23 0.747 1.108 -11.216 182 HG23 VAL 23 HG23 VAL 23 1.554 -0.235 -10.407 183 H ASN 24 HN ASN 24 0.299 -3.441 -13.776 184 HA ASN 24 HA ASN 24 -1.555 -3.161 -15.804 185 HB2 ASN 24 HB2 ASN 24 0.049 -5.085 -15.382 186 HB3 ASN 24 HB1 ASN 24 -1.163 -5.743 -14.297 187 HD21 ASN 24 HD21 ASN 24 -0.816 -7.499 -15.968 188 HD22 ASN 24 HD22 ASN 24 -1.875 -7.479 -17.333 189 H ILE 25 HN ILE 25 -3.590 -4.516 -15.946 190 HA ILE 25 HA ILE 25 -5.409 -3.569 -13.887 191 HB ILE 25 HB ILE 25 -5.973 -3.261 -16.266 192 HG12 ILE 25 HG12 ILE 25 -8.101 -5.130 -15.525 193 HG13 ILE 25 HG11 ILE 25 -7.644 -4.048 -14.214 194 HG21 ILE 25 HG21 ILE 25 -4.990 -5.227 -17.225 195 HG22 ILE 25 HG22 ILE 25 -6.717 -5.224 -17.584 196 HG23 ILE 25 HG23 ILE 25 -6.082 -6.269 -16.312 197 HD11 ILE 25 HD11 ILE 25 -9.266 -2.812 -15.219 198 HD12 ILE 25 HD12 ILE 25 -8.905 -3.439 -16.828 199 HD13 ILE 25 HD13 ILE 25 -7.854 -2.226 -16.098 200 H VAL 26 HN VAL 26 -4.159 -6.574 -15.157 201 HA VAL 26 HA VAL 26 -5.898 -8.442 -14.154 202 HB VAL 26 HB VAL 26 -2.890 -8.711 -14.115 203 HG11 VAL 26 HG11 VAL 26 -3.479 -10.631 -13.080 204 HG12 VAL 26 HG12 VAL 26 -3.822 -11.156 -14.728 205 HG13 VAL 26 HG13 VAL 26 -5.131 -10.583 -13.694 206 HG21 VAL 26 HG21 VAL 26 -2.869 -8.891 -16.341 207 HG22 VAL 26 HG22 VAL 26 -4.467 -8.147 -16.305 208 HG23 VAL 26 HG23 VAL 26 -4.313 -9.903 -16.357 209 H LYS 27 HN LYS 27 -3.092 -7.078 -12.421 210 HA LYS 27 HA LYS 27 -3.931 -8.338 -9.952 211 HB2 LYS 27 HB2 LYS 27 -1.560 -6.787 -10.862 212 HB3 LYS 27 HB1 LYS 27 -1.925 -6.779 -9.142 213 HG2 LYS 27 HG2 LYS 27 -1.953 -9.425 -10.426 214 HG3 LYS 27 HG1 LYS 27 -0.382 -8.622 -10.356 215 HD2 LYS 27 HD2 LYS 27 -0.271 -8.742 -8.087 216 HD3 LYS 27 HD1 LYS 27 -2.018 -8.595 -7.886 217 HE2 LYS 27 HE2 LYS 27 -1.934 -10.782 -7.395 218 HE3 LYS 27 HE1 LYS 27 -1.816 -11.001 -9.140 219 HZ1 LYS 27 HZ1 LYS 27 -0.091 -12.247 -8.092 220 HZ2 LYS 27 HZ2 LYS 27 0.430 -10.906 -7.202 221 HZ3 LYS 27 HZ3 LYS 27 0.630 -10.935 -8.881 222 H ARG 28 HN ARG 28 -4.049 -5.197 -11.459 223 HA ARG 28 HA ARG 28 -4.746 -3.736 -9.104 224 HB2 ARG 28 HB2 ARG 28 -3.707 -2.691 -11.086 225 HB3 ARG 28 HB1 ARG 28 -5.173 -3.007 -11.999 226 HG2 ARG 28 HG2 ARG 28 -5.538 -1.571 -9.473 227 HG3 ARG 28 HG1 ARG 28 -4.619 -0.717 -10.708 228 HD2 ARG 28 HD2 ARG 28 -7.206 -2.057 -11.360 229 HD3 ARG 28 HD1 ARG 28 -7.155 -0.457 -10.641 230 HE ARG 28 HE ARG 28 -5.521 -0.750 -12.990 231 HH11 ARG 28 HH11 ARG 28 -8.685 0.076 -11.768 232 HH12 ARG 28 HH12 ARG 28 -9.113 1.015 -13.158 233 HH21 ARG 28 HH21 ARG 28 -6.084 0.485 -14.818 234 HH22 ARG 28 HH22 ARG 28 -7.638 1.247 -14.890 235 H LYS 29 HN LYS 29 -6.517 -5.676 -11.329 236 HA LYS 29 HA LYS 29 -9.026 -4.661 -11.416 237 HB2 LYS 29 HB2 LYS 29 -7.901 -7.381 -11.393 238 HB3 LYS 29 HB1 LYS 29 -9.609 -7.278 -10.984 239 HG2 LYS 29 HG2 LYS 29 -9.761 -5.800 -13.113 240 HG3 LYS 29 HG1 LYS 29 -8.229 -6.569 -13.532 241 HD2 LYS 29 HD2 LYS 29 -9.321 -8.775 -13.177 242 HD3 LYS 29 HD1 LYS 29 -10.852 -7.928 -12.958 243 HE2 LYS 29 HE2 LYS 29 -9.884 -6.879 -15.314 244 HE3 LYS 29 HE1 LYS 29 -9.401 -8.573 -15.402 245 HZ1 LYS 29 HZ1 LYS 29 -12.055 -7.396 -15.472 246 HZ2 LYS 29 HZ2 LYS 29 -11.913 -8.825 -14.579 247 HZ3 LYS 29 HZ3 LYS 29 -11.472 -8.802 -16.211 248 H LEU 30 HN LEU 30 -7.509 -6.223 -8.651 249 HA LEU 30 HA LEU 30 -9.949 -5.774 -7.086 250 HB2 LEU 30 HB2 LEU 30 -7.542 -7.307 -6.152 251 HB3 LEU 30 HB1 LEU 30 -9.193 -7.410 -5.574 252 HG LEU 30 HG LEU 30 -8.723 -8.176 -8.401 253 HD11 LEU 30 HD11 LEU 30 -8.304 -10.443 -6.668 254 HD12 LEU 30 HD12 LEU 30 -7.047 -9.227 -6.443 255 HD13 LEU 30 HD13 LEU 30 -7.357 -9.889 -8.048 256 HD21 LEU 30 HD21 LEU 30 -10.581 -8.802 -6.183 257 HD22 LEU 30 HD22 LEU 30 -10.259 -10.083 -7.351 258 HD23 LEU 30 HD23 LEU 30 -10.904 -8.535 -7.896 259 H ALA 31 HN ALA 31 -6.451 -5.278 -7.034 260 HA ALA 31 HA ALA 31 -6.318 -3.813 -4.642 261 HB1 ALA 31 HB1 ALA 31 -4.114 -3.128 -5.386 262 HB2 ALA 31 HB2 ALA 31 -4.485 -3.648 -7.030 263 HB3 ALA 31 HB3 ALA 31 -4.372 -4.838 -5.732 264 H ALA 32 HN ALA 32 -7.611 -2.930 -7.676 265 HA ALA 32 HA ALA 32 -6.963 -0.261 -7.932 266 HB1 ALA 32 HB1 ALA 32 -8.298 -1.634 -9.537 267 HB2 ALA 32 HB2 ALA 32 -8.903 -0.002 -9.272 268 HB3 ALA 32 HB3 ALA 32 -9.697 -1.374 -8.499 269 H HIS 33 HN HIS 33 -9.636 -1.626 -5.960 270 HA HIS 33 HA HIS 33 -9.467 0.352 -3.998 271 HB2 HIS 33 HB2 HIS 33 -10.187 2.086 -5.309 272 HB3 HIS 33 HB1 HIS 33 -11.142 1.049 -6.353 273 HD1 HIS 33 HD1 HIS 33 -13.360 2.201 -6.235 274 HD2 HIS 33 HD2 HIS 33 -11.754 1.468 -2.474 275 HE1 HIS 33 HE1 HIS 33 -15.178 2.792 -4.601 276 HE2 HIS 33 HE2 HIS 33 -14.214 2.254 -2.337 277 H ASP 34 HN ASP 34 -12.399 -0.768 -5.638 278 HA ASP 34 HA ASP 34 -13.895 -1.365 -3.445 279 HB2 ASP 34 HB2 ASP 34 -13.933 -2.810 -6.099 280 HB3 ASP 34 HB1 ASP 34 -15.226 -2.841 -4.903 281 H ASN 35 HN ASN 35 -11.833 -3.690 -5.201 282 HA ASN 35 HA ASN 35 -12.241 -5.544 -2.998 283 HB2 ASN 35 HB2 ASN 35 -10.814 -6.280 -5.525 284 HB3 ASN 35 HB1 ASN 35 -11.710 -7.315 -4.422 285 HD21 ASN 35 HD21 ASN 35 -12.019 -4.816 -6.866 286 HD22 ASN 35 HD22 ASN 35 -13.633 -5.214 -7.336 287 H LEU 36 HN LEU 36 -10.752 -3.823 -1.912 288 HA LEU 36 HA LEU 36 -7.986 -4.800 -2.178 289 HB2 LEU 36 HB2 LEU 36 -8.027 -2.551 -2.979 290 HB3 LEU 36 HB1 LEU 36 -8.974 -2.014 -1.608 291 HG LEU 36 HG LEU 36 -7.026 -2.506 -0.130 292 HD11 LEU 36 HD11 LEU 36 -5.034 -3.289 -0.885 293 HD12 LEU 36 HD12 LEU 36 -5.236 -2.582 -2.488 294 HD13 LEU 36 HD13 LEU 36 -6.089 -4.067 -2.065 295 HD21 LEU 36 HD21 LEU 36 -7.079 -0.457 -2.259 296 HD22 LEU 36 HD22 LEU 36 -5.563 -0.645 -1.378 297 HD23 LEU 36 HD23 LEU 36 -7.050 -0.274 -0.505 298 H LYS 37 HN LYS 37 -7.426 -5.959 -0.486 299 HA LYS 37 HA LYS 37 -8.499 -5.249 2.170 300 HB2 LYS 37 HB2 LYS 37 -9.350 -7.399 1.532 301 HB3 LYS 37 HB1 LYS 37 -7.763 -7.938 1.012 302 HG2 LYS 37 HG2 LYS 37 -8.510 -8.897 3.174 303 HG3 LYS 37 HG1 LYS 37 -6.976 -8.030 3.263 304 HD2 LYS 37 HD2 LYS 37 -8.465 -7.528 5.165 305 HD3 LYS 37 HD1 LYS 37 -8.081 -6.101 4.204 306 HE2 LYS 37 HE2 LYS 37 -10.231 -5.735 3.766 307 HE3 LYS 37 HE1 LYS 37 -10.448 -7.388 3.192 308 HZ1 LYS 37 HZ1 LYS 37 -10.684 -8.068 5.543 309 HZ2 LYS 37 HZ2 LYS 37 -11.903 -7.015 5.027 310 HZ3 LYS 37 HZ3 LYS 37 -10.644 -6.438 5.997 311 H LEU 38 HN LEU 38 -7.078 -4.368 3.394 312 HA LEU 38 HA LEU 38 -4.236 -4.998 3.026 313 HB2 LEU 38 HB2 LEU 38 -5.437 -2.604 2.885 314 HB3 LEU 38 HB1 LEU 38 -5.155 -2.643 4.606 315 HG LEU 38 HG LEU 38 -2.927 -2.242 4.385 316 HD11 LEU 38 HD11 LEU 38 -1.568 -3.046 2.401 317 HD12 LEU 38 HD12 LEU 38 -2.997 -3.961 1.917 318 HD13 LEU 38 HD13 LEU 38 -2.219 -4.296 3.465 319 HD21 LEU 38 HD21 LEU 38 -2.504 -1.169 1.963 320 HD22 LEU 38 HD22 LEU 38 -3.406 -0.350 3.241 321 HD23 LEU 38 HD23 LEU 38 -4.269 -1.205 1.964 322 H THR 39 HN THR 39 -3.535 -6.455 4.487 323 HA THR 39 HA THR 39 -4.822 -6.501 7.125 324 HB THR 39 HB THR 39 -3.077 -8.600 5.832 325 HG1 THR 39 HG1 THR 39 -5.882 -8.300 5.991 326 HG21 THR 39 HG21 THR 39 -4.813 -8.740 8.282 327 HG22 THR 39 HG22 THR 39 -3.053 -8.827 8.233 328 HG23 THR 39 HG23 THR 39 -4.019 -10.111 7.509 329 H ILE 40 HN ILE 40 -3.593 -6.726 9.031 330 HA ILE 40 HA ILE 40 -0.763 -5.961 8.838 331 HB ILE 40 HB ILE 40 -2.735 -4.721 10.765 332 HG12 ILE 40 HG12 ILE 40 -1.301 -3.414 8.443 333 HG13 ILE 40 HG11 ILE 40 -2.969 -3.976 8.375 334 HG21 ILE 40 HG21 ILE 40 0.203 -4.725 10.557 335 HG22 ILE 40 HG22 ILE 40 -0.838 -4.479 11.959 336 HG23 ILE 40 HG23 ILE 40 -0.539 -3.150 10.839 337 HD11 ILE 40 HD11 ILE 40 -3.458 -1.882 8.969 338 HD12 ILE 40 HD12 ILE 40 -1.836 -1.573 9.589 339 HD13 ILE 40 HD13 ILE 40 -3.019 -2.412 10.592 340 H THR 41 HN THR 41 0.543 -7.096 10.154 341 HA THR 41 HA THR 41 -0.696 -8.646 12.331 342 HB THR 41 HB THR 41 1.696 -9.610 10.785 343 HG1 THR 41 HG1 THR 41 -0.009 -9.365 9.306 344 HG21 THR 41 HG21 THR 41 1.322 -10.778 12.848 345 HG22 THR 41 HG22 THR 41 0.886 -11.823 11.496 346 HG23 THR 41 HG23 THR 41 -0.375 -11.030 12.440 347 H GLN 42 HN GLN 42 0.719 -9.162 14.125 348 HA GLN 42 HA GLN 42 2.806 -7.116 14.482 349 HB2 GLN 42 HB2 GLN 42 0.622 -7.352 15.985 350 HB3 GLN 42 HB1 GLN 42 1.625 -8.529 16.821 351 HG2 GLN 42 HG2 GLN 42 2.298 -6.760 18.008 352 HG3 GLN 42 HG1 GLN 42 3.347 -6.458 16.624 353 HE21 GLN 42 HE21 GLN 42 0.672 -5.371 18.460 354 HE22 GLN 42 HE22 GLN 42 0.361 -3.921 17.573 355 H GLU 43 HN GLU 43 4.792 -7.875 14.334 356 HA GLU 43 HA GLU 43 5.532 -10.295 15.772 357 HB2 GLU 43 HB2 GLU 43 6.339 -9.968 12.884 358 HB3 GLU 43 HB1 GLU 43 6.606 -11.356 13.928 359 HG2 GLU 43 HG2 GLU 43 3.886 -10.402 13.071 360 HG3 GLU 43 HG1 GLU 43 4.808 -11.646 12.229 361 H GLY 44 HN GLY 44 6.699 -8.934 17.143 362 HA2 GLY 44 HA2 GLY 44 8.510 -7.703 17.852 363 HA3 GLY 44 HA1 GLY 44 9.373 -8.479 16.534 364 H ASN 45 HN ASN 45 10.542 -6.762 15.725 365 HA ASN 45 HA ASN 45 9.291 -4.193 15.330 366 HB2 ASN 45 HB2 ASN 45 11.523 -3.729 14.103 367 HB3 ASN 45 HB1 ASN 45 11.560 -3.973 15.843 368 HD21 ASN 45 HD21 ASN 45 13.777 -4.508 15.630 369 HD22 ASN 45 HD22 ASN 45 14.260 -6.075 15.084 370 H LYS 46 HN LYS 46 8.898 -6.990 13.734 371 HA LYS 46 HA LYS 46 8.729 -5.666 11.118 372 HB2 LYS 46 HB2 LYS 46 9.776 -7.403 10.200 373 HB3 LYS 46 HB1 LYS 46 10.032 -8.051 11.812 374 HG2 LYS 46 HG2 LYS 46 7.790 -9.159 11.597 375 HG3 LYS 46 HG1 LYS 46 7.801 -8.686 9.901 376 HD2 LYS 46 HD2 LYS 46 9.801 -10.458 11.304 377 HD3 LYS 46 HD1 LYS 46 8.599 -10.956 10.112 378 HE2 LYS 46 HE2 LYS 46 10.286 -10.728 8.647 379 HE3 LYS 46 HE1 LYS 46 9.908 -9.009 8.750 380 HZ1 LYS 46 HZ1 LYS 46 11.786 -10.169 10.685 381 HZ2 LYS 46 HZ2 LYS 46 11.715 -8.596 10.068 382 HZ3 LYS 46 HZ3 LYS 46 12.328 -9.851 9.114 383 H PHE 47 HN PHE 47 6.870 -5.633 10.025 384 HA PHE 47 HA PHE 47 4.514 -6.800 11.354 385 HB2 PHE 47 HB2 PHE 47 4.865 -4.381 9.590 386 HB3 PHE 47 HB1 PHE 47 3.285 -5.091 9.874 387 HD1 PHE 47 HD2 PHE 47 5.520 -5.304 12.681 388 HD2 PHE 47 HD1 PHE 47 2.726 -2.781 10.703 389 HE1 PHE 47 HE2 PHE 47 5.303 -3.955 14.722 390 HE2 PHE 47 HE1 PHE 47 2.506 -1.424 12.743 391 HZ PHE 47 HZ PHE 47 3.793 -2.012 14.756 392 H THR 48 HN THR 48 3.070 -8.030 10.170 393 HA THR 48 HA THR 48 4.067 -8.950 7.568 394 HB THR 48 HB THR 48 1.826 -10.349 8.932 395 HG1 THR 48 HG1 THR 48 4.490 -10.314 9.879 396 HG21 THR 48 HG21 THR 48 2.479 -12.132 7.765 397 HG22 THR 48 HG22 THR 48 4.189 -11.841 8.086 398 HG23 THR 48 HG23 THR 48 3.373 -10.967 6.789 399 H VAL 49 HN VAL 49 3.118 -8.241 5.792 400 HA VAL 49 HA VAL 49 0.450 -7.046 5.981 401 HB VAL 49 HB VAL 49 2.333 -6.934 3.627 402 HG11 VAL 49 HG11 VAL 49 0.876 -4.702 3.470 403 HG12 VAL 49 HG12 VAL 49 -0.287 -5.735 4.302 404 HG13 VAL 49 HG13 VAL 49 0.370 -6.226 2.740 405 HG21 VAL 49 HG21 VAL 49 3.490 -5.959 5.489 406 HG22 VAL 49 HG22 VAL 49 2.061 -5.034 5.951 407 HG23 VAL 49 HG23 VAL 49 2.907 -4.659 4.450 408 H LYS 50 HN LYS 50 -1.251 -8.177 5.368 409 HA LYS 50 HA LYS 50 -0.888 -10.289 3.344 410 HB2 LYS 50 HB2 LYS 50 -1.691 -10.683 5.921 411 HB3 LYS 50 HB1 LYS 50 -3.240 -10.487 5.111 412 HG2 LYS 50 HG2 LYS 50 -2.672 -12.281 3.565 413 HG3 LYS 50 HG1 LYS 50 -1.103 -12.467 4.349 414 HD2 LYS 50 HD2 LYS 50 -3.656 -12.690 5.908 415 HD3 LYS 50 HD1 LYS 50 -3.006 -14.069 5.018 416 HE2 LYS 50 HE2 LYS 50 -1.333 -12.507 6.962 417 HE3 LYS 50 HE1 LYS 50 -2.370 -13.832 7.488 418 HZ1 LYS 50 HZ1 LYS 50 -0.023 -14.462 7.016 419 HZ2 LYS 50 HZ2 LYS 50 -0.299 -14.115 5.384 420 HZ3 LYS 50 HZ3 LYS 50 -1.168 -15.352 6.142 421 H GLU 51 HN GLU 51 -1.701 -9.627 1.469 422 HA GLU 51 HA GLU 51 -3.979 -7.800 1.466 423 HB2 GLU 51 HB2 GLU 51 -1.669 -8.150 -0.203 424 HB3 GLU 51 HB1 GLU 51 -3.124 -8.295 -1.180 425 HG2 GLU 51 HG2 GLU 51 -3.511 -6.114 -1.097 426 HG3 GLU 51 HG1 GLU 51 -3.282 -6.062 0.651 427 H SER 52 HN SER 52 -5.950 -8.563 1.221 428 HA SER 52 HA SER 52 -6.313 -11.213 0.018 429 HB2 SER 52 HB2 SER 52 -7.270 -10.299 2.372 430 HB3 SER 52 HB1 SER 52 -8.609 -9.857 1.312 431 HG SER 52 HG SER 52 -9.043 -11.906 1.919 432 H SER 53 HN SER 53 -7.821 -11.579 -1.605 433 HA SER 53 HA SER 53 -9.229 -9.327 -2.778 434 HB2 SER 53 HB2 SER 53 -7.738 -10.854 -4.808 435 HB3 SER 53 HB1 SER 53 -8.030 -9.119 -4.689 436 HG SER 53 HG SER 53 -6.157 -8.891 -3.773 437 H ALA 54 HN ALA 54 -10.081 -10.402 -5.112 438 HA ALA 54 HA ALA 54 -12.093 -12.181 -4.306 439 HB1 ALA 54 HB1 ALA 54 -11.163 -11.852 -7.146 440 HB2 ALA 54 HB2 ALA 54 -12.109 -10.625 -6.305 441 HB3 ALA 54 HB3 ALA 54 -12.782 -12.235 -6.562 442 H PHE 55 HN PHE 55 -9.541 -12.902 -6.694 443 HA PHE 55 HA PHE 55 -9.483 -15.656 -5.643 444 HB2 PHE 55 HB2 PHE 55 -8.790 -16.296 -8.004 445 HB3 PHE 55 HB1 PHE 55 -10.464 -15.793 -7.795 446 HD1 PHE 55 HD2 PHE 55 -11.143 -13.493 -8.490 447 HD2 PHE 55 HD1 PHE 55 -7.333 -15.133 -9.439 448 HE1 PHE 55 HE2 PHE 55 -10.855 -11.796 -10.248 449 HE2 PHE 55 HE1 PHE 55 -7.037 -13.438 -11.198 450 HZ PHE 55 HZ PHE 55 -8.799 -11.767 -11.605 451 H ARG 56 HN ARG 56 -7.644 -12.892 -6.683 452 HA ARG 56 HA ARG 56 -5.115 -14.259 -6.711 453 HB2 ARG 56 HB2 ARG 56 -5.658 -11.287 -6.618 454 HB3 ARG 56 HB1 ARG 56 -4.145 -12.063 -7.065 455 HG2 ARG 56 HG2 ARG 56 -5.816 -13.211 -8.842 456 HG3 ARG 56 HG1 ARG 56 -6.595 -11.641 -8.634 457 HD2 ARG 56 HD2 ARG 56 -4.752 -10.479 -9.429 458 HD3 ARG 56 HD1 ARG 56 -3.645 -11.809 -9.094 459 HE ARG 56 HE ARG 56 -5.044 -11.352 -11.506 460 HH11 ARG 56 HH11 ARG 56 -4.033 -13.933 -9.387 461 HH12 ARG 56 HH12 ARG 56 -3.969 -15.115 -10.651 462 HH21 ARG 56 HH21 ARG 56 -4.961 -12.904 -13.170 463 HH22 ARG 56 HH22 ARG 56 -4.496 -14.531 -12.799 464 H ASN 57 HN ASN 57 -3.298 -13.508 -5.311 465 HA ASN 57 HA ASN 57 -4.126 -12.656 -2.639 466 HB2 ASN 57 HB2 ASN 57 -2.647 -14.488 -1.672 467 HB3 ASN 57 HB1 ASN 57 -4.183 -15.011 -2.356 468 HD21 ASN 57 HD21 ASN 57 -3.965 -16.865 -3.356 469 HD22 ASN 57 HD22 ASN 57 -2.635 -17.342 -4.350 470 H ILE 58 HN ILE 58 -2.729 -11.273 -1.734 471 HA ILE 58 HA ILE 58 0.039 -11.191 -2.710 472 HB ILE 58 HB ILE 58 -1.517 -8.656 -2.264 473 HG12 ILE 58 HG12 ILE 58 -0.939 -9.774 -4.997 474 HG13 ILE 58 HG11 ILE 58 -2.432 -10.175 -4.155 475 HG21 ILE 58 HG21 ILE 58 0.383 -7.948 -3.941 476 HG22 ILE 58 HG22 ILE 58 1.175 -9.385 -3.294 477 HG23 ILE 58 HG23 ILE 58 0.694 -8.080 -2.210 478 HD11 ILE 58 HD11 ILE 58 -1.544 -7.595 -5.321 479 HD12 ILE 58 HD12 ILE 58 -2.608 -7.565 -3.915 480 HD13 ILE 58 HD13 ILE 58 -3.117 -8.389 -5.390 481 H GLU 59 HN GLU 59 1.514 -10.069 -1.277 482 HA GLU 59 HA GLU 59 0.797 -9.114 1.261 483 HB2 GLU 59 HB2 GLU 59 1.806 -11.079 2.572 484 HB3 GLU 59 HB1 GLU 59 0.167 -11.261 1.962 485 HG2 GLU 59 HG2 GLU 59 0.731 -12.917 0.554 486 HG3 GLU 59 HG1 GLU 59 2.292 -12.197 0.160 487 H VAL 60 HN VAL 60 2.695 -8.724 2.657 488 HA VAL 60 HA VAL 60 5.319 -9.212 1.592 489 HB VAL 60 HB VAL 60 5.854 -6.704 1.529 490 HG11 VAL 60 HG11 VAL 60 5.383 -8.481 -0.414 491 HG12 VAL 60 HG12 VAL 60 5.819 -6.800 -0.718 492 HG13 VAL 60 HG13 VAL 60 4.128 -7.298 -0.785 493 HG21 VAL 60 HG21 VAL 60 4.077 -5.185 0.990 494 HG22 VAL 60 HG22 VAL 60 3.663 -6.011 2.491 495 HG23 VAL 60 HG23 VAL 60 2.897 -6.498 0.979 496 H VAL 61 HN VAL 61 6.249 -9.816 3.482 497 HA VAL 61 HA VAL 61 5.562 -8.727 6.009 498 HB VAL 61 HB VAL 61 7.524 -10.654 5.009 499 HG11 VAL 61 HG11 VAL 61 9.173 -9.132 5.868 500 HG12 VAL 61 HG12 VAL 61 9.023 -10.493 6.978 501 HG13 VAL 61 HG13 VAL 61 8.274 -8.947 7.374 502 HG21 VAL 61 HG21 VAL 61 5.355 -10.789 6.557 503 HG22 VAL 61 HG22 VAL 61 6.589 -10.660 7.812 504 HG23 VAL 61 HG23 VAL 61 6.660 -11.973 6.635 505 H PHE 62 HN PHE 62 6.692 -7.207 7.284 506 HA PHE 62 HA PHE 62 8.811 -5.687 5.955 507 HB2 PHE 62 HB2 PHE 62 6.195 -4.519 6.895 508 HB3 PHE 62 HB1 PHE 62 7.622 -3.550 6.537 509 HD1 PHE 62 HD1 PHE 62 8.683 -4.768 4.144 510 HD2 PHE 62 HD2 PHE 62 4.642 -4.078 5.260 511 HE1 PHE 62 HE1 PHE 62 8.058 -4.686 1.777 512 HE2 PHE 62 HE2 PHE 62 4.002 -3.996 2.886 513 HZ PHE 62 HZ PHE 62 5.717 -4.297 1.141 514 H GLU 63 HN GLU 63 9.750 -4.033 7.317 515 HA GLU 63 HA GLU 63 9.478 -4.398 10.173 516 HB2 GLU 63 HB2 GLU 63 11.172 -6.075 9.056 517 HB3 GLU 63 HB1 GLU 63 12.221 -4.673 9.044 518 HG2 GLU 63 HG2 GLU 63 11.534 -4.521 11.569 519 HG3 GLU 63 HG1 GLU 63 11.149 -6.228 11.345 520 H LEU 64 HN LEU 64 9.878 -2.581 11.260 521 HA LEU 64 HA LEU 64 10.096 -0.149 9.908 522 HB2 LEU 64 HB2 LEU 64 10.821 -0.647 12.787 523 HB3 LEU 64 HB1 LEU 64 10.261 0.860 12.079 524 HG LEU 64 HG LEU 64 8.656 -1.660 12.529 525 HD11 LEU 64 HD11 LEU 64 8.603 1.113 13.685 526 HD12 LEU 64 HD12 LEU 64 8.781 -0.427 14.527 527 HD13 LEU 64 HD13 LEU 64 7.231 0.010 13.805 528 HD21 LEU 64 HD21 LEU 64 8.008 -0.773 10.388 529 HD22 LEU 64 HD22 LEU 64 7.894 0.857 11.053 530 HD23 LEU 64 HD23 LEU 64 6.759 -0.389 11.573 531 H GLY 65 HN GLY 65 11.798 0.324 8.672 532 HA2 GLY 65 HA2 GLY 65 13.990 1.348 8.668 533 HA3 GLY 65 HA1 GLY 65 14.466 0.224 9.934 534 H VAL 66 HN VAL 66 12.550 -0.938 7.324 535 HA VAL 66 HA VAL 66 14.916 -2.027 5.971 536 HB VAL 66 HB VAL 66 12.450 -3.629 6.680 537 HG11 VAL 66 HG11 VAL 66 13.124 -4.608 4.717 538 HG12 VAL 66 HG12 VAL 66 14.134 -5.485 5.867 539 HG13 VAL 66 HG13 VAL 66 14.812 -4.147 4.939 540 HG21 VAL 66 HG21 VAL 66 13.924 -4.886 8.151 541 HG22 VAL 66 HG22 VAL 66 13.911 -3.179 8.602 542 HG23 VAL 66 HG23 VAL 66 15.277 -3.846 7.709 543 H THR 67 HN THR 67 14.694 -2.400 3.797 544 HA THR 67 HA THR 67 13.067 -0.614 2.413 545 HB THR 67 HB THR 67 14.899 -2.836 1.672 546 HG1 THR 67 HG1 THR 67 14.742 -0.090 0.993 547 HG21 THR 67 HG21 THR 67 14.581 -2.432 -0.713 548 HG22 THR 67 HG22 THR 67 13.189 -1.410 -0.356 549 HG23 THR 67 HG23 THR 67 13.139 -3.132 0.023 550 H PHE 68 HN PHE 68 11.311 -0.836 1.101 551 HA PHE 68 HA PHE 68 9.438 -2.929 1.774 552 HB2 PHE 68 HB2 PHE 68 9.277 -0.227 0.877 553 HB3 PHE 68 HB1 PHE 68 8.493 -1.225 -0.338 554 HD1 PHE 68 HD1 PHE 68 8.575 -1.893 3.300 555 HD2 PHE 68 HD2 PHE 68 6.255 -0.572 -0.008 556 HE1 PHE 68 HE1 PHE 68 6.544 -1.977 4.683 557 HE2 PHE 68 HE2 PHE 68 4.223 -0.679 1.362 558 HZ PHE 68 HZ PHE 68 4.369 -1.363 3.719 559 H ASN 69 HN ASN 69 8.259 -4.074 -0.015 560 HA ASN 69 HA ASN 69 9.843 -4.383 -2.453 561 HB2 ASN 69 HB2 ASN 69 9.053 -6.712 -0.693 562 HB3 ASN 69 HB1 ASN 69 9.841 -6.830 -2.263 563 HD21 ASN 69 HD21 ASN 69 10.542 -7.442 0.673 564 HD22 ASN 69 HD22 ASN 69 12.143 -6.813 0.831 565 H TYR 70 HN TYR 70 8.713 -4.963 -4.240 566 HA TYR 70 HA TYR 70 6.178 -6.166 -4.274 567 HB2 TYR 70 HB2 TYR 70 6.166 -3.311 -3.797 568 HB3 TYR 70 HB1 TYR 70 5.357 -3.690 -5.313 569 HD1 TYR 70 HD1 TYR 70 3.487 -5.416 -5.271 570 HD2 TYR 70 HD2 TYR 70 5.085 -3.659 -1.742 571 HE1 TYR 70 HE1 TYR 70 1.468 -6.079 -4.034 572 HE2 TYR 70 HE2 TYR 70 3.070 -4.317 -0.495 573 HH TYR 70 HH TYR 70 1.166 -6.458 -1.074 574 H ASN 71 HN ASN 71 8.172 -6.934 -5.678 575 HA ASN 71 HA ASN 71 7.874 -5.766 -8.364 576 HB2 ASN 71 HB2 ASN 71 10.162 -5.612 -7.433 577 HB3 ASN 71 HB1 ASN 71 10.195 -7.364 -7.261 578 HD21 ASN 71 HD21 ASN 71 11.857 -5.502 -8.842 579 HD22 ASN 71 HD22 ASN 71 11.778 -6.086 -10.466 580 H LEU 72 HN LEU 72 7.046 -6.994 -9.934 581 HA LEU 72 HA LEU 72 7.385 -9.759 -10.204 582 HB2 LEU 72 HB2 LEU 72 5.140 -10.568 -9.649 583 HB3 LEU 72 HB1 LEU 72 5.985 -9.956 -8.240 584 HG LEU 72 HG LEU 72 4.251 -8.000 -9.606 585 HD11 LEU 72 HD11 LEU 72 2.979 -10.178 -7.970 586 HD12 LEU 72 HD12 LEU 72 2.993 -10.187 -9.733 587 HD13 LEU 72 HD13 LEU 72 2.189 -8.880 -8.865 588 HD21 LEU 72 HD21 LEU 72 5.397 -7.445 -7.551 589 HD22 LEU 72 HD22 LEU 72 4.668 -8.829 -6.737 590 HD23 LEU 72 HD23 LEU 72 3.656 -7.486 -7.270 591 H ALA 73 HN ALA 73 5.470 -10.673 -11.658 592 HA ALA 73 HA ALA 73 5.599 -9.357 -14.099 593 HB1 ALA 73 HB1 ALA 73 4.067 -10.965 -14.918 594 HB2 ALA 73 HB2 ALA 73 3.380 -11.232 -13.315 595 HB3 ALA 73 HB3 ALA 73 5.019 -11.777 -13.674 596 H ASP 74 HN ASP 74 3.047 -9.259 -15.159 597 HA ASP 74 HA ASP 74 1.215 -7.925 -15.403 598 HB2 ASP 74 HB2 ASP 74 1.435 -8.255 -12.533 599 HB3 ASP 74 HB1 ASP 74 0.830 -6.650 -12.928 600 H GLY 75 HN GLY 75 3.249 -6.256 -12.988 601 HA2 GLY 75 HA2 GLY 75 4.603 -4.497 -14.492 602 HA3 GLY 75 HA1 GLY 75 3.008 -3.769 -14.452 603 H THR 76 HN THR 76 5.641 -4.970 -12.394 604 HA THR 76 HA THR 76 5.515 -2.654 -10.777 605 HB THR 76 HB THR 76 3.525 -4.025 -10.088 606 HG1 THR 76 HG1 THR 76 4.409 -2.387 -8.772 607 HG21 THR 76 HG21 THR 76 5.072 -5.584 -8.191 608 HG22 THR 76 HG22 THR 76 5.270 -6.113 -9.861 609 HG23 THR 76 HG23 THR 76 3.660 -6.032 -9.148 610 H GLU 77 HN GLU 77 7.283 -2.328 -9.715 611 HA GLU 77 HA GLU 77 9.088 -4.364 -8.807 612 HB2 GLU 77 HB2 GLU 77 10.087 -2.515 -10.984 613 HB3 GLU 77 HB1 GLU 77 10.976 -3.814 -10.202 614 HG2 GLU 77 HG2 GLU 77 9.378 -5.429 -11.206 615 HG3 GLU 77 HG1 GLU 77 8.650 -4.088 -12.088 616 H LEU 78 HN LEU 78 7.852 -2.666 -7.288 617 HA LEU 78 HA LEU 78 9.437 -0.250 -6.969 618 HB2 LEU 78 HB2 LEU 78 6.767 -1.187 -6.057 619 HB3 LEU 78 HB1 LEU 78 7.571 0.063 -5.142 620 HG LEU 78 HG LEU 78 7.740 0.807 -7.857 621 HD11 LEU 78 HD11 LEU 78 5.787 0.382 -8.844 622 HD12 LEU 78 HD12 LEU 78 4.879 0.767 -7.378 623 HD13 LEU 78 HD13 LEU 78 5.561 -0.849 -7.601 624 HD21 LEU 78 HD21 LEU 78 6.196 2.627 -7.090 625 HD22 LEU 78 HD22 LEU 78 7.721 2.457 -6.221 626 HD23 LEU 78 HD23 LEU 78 6.222 1.846 -5.510 627 H ARG 79 HN ARG 79 10.895 0.046 -5.464 628 HA ARG 79 HA ARG 79 10.939 -1.678 -3.081 629 HB2 ARG 79 HB2 ARG 79 12.621 -2.302 -4.945 630 HB3 ARG 79 HB1 ARG 79 13.457 -0.822 -4.487 631 HG2 ARG 79 HG2 ARG 79 14.189 -1.678 -2.519 632 HG3 ARG 79 HG1 ARG 79 12.775 -2.714 -2.315 633 HD2 ARG 79 HD2 ARG 79 14.516 -3.371 -4.597 634 HD3 ARG 79 HD1 ARG 79 15.231 -3.611 -3.003 635 HE ARG 79 HE ARG 79 12.699 -4.763 -2.967 636 HH11 ARG 79 HH11 ARG 79 15.752 -5.227 -4.593 637 HH12 ARG 79 HH12 ARG 79 15.528 -6.932 -4.795 638 HH21 ARG 79 HH21 ARG 79 12.402 -7.006 -3.231 639 HH22 ARG 79 HH22 ARG 79 13.626 -7.942 -4.022 640 H GLY 80 HN GLY 80 10.808 -0.411 -1.312 641 HA2 GLY 80 HA2 GLY 80 12.328 2.108 -1.295 642 HA3 GLY 80 HA1 GLY 80 10.617 2.160 -0.916 643 H THR 81 HN THR 81 10.196 2.220 1.198 644 HA THR 81 HA THR 81 11.483 0.407 3.023 645 HB THR 81 HB THR 81 12.081 2.361 4.604 646 HG1 THR 81 HG1 THR 81 12.673 4.257 3.482 647 HG21 THR 81 HG21 THR 81 13.754 0.899 3.505 648 HG22 THR 81 HG22 THR 81 14.307 2.551 3.781 649 HG23 THR 81 HG23 THR 81 13.810 2.045 2.165 650 H TRP 82 HN TRP 82 10.716 0.993 5.369 651 HA TRP 82 HA TRP 82 8.020 2.133 5.388 652 HB2 TRP 82 HB2 TRP 82 8.174 -0.516 5.039 653 HB3 TRP 82 HB1 TRP 82 8.353 -0.480 6.789 654 HD1 TRP 82 HD1 TRP 82 5.922 1.208 4.260 655 HE1 TRP 82 HE1 TRP 82 3.544 1.040 5.229 656 HE3 TRP 82 HE3 TRP 82 6.997 -1.218 8.629 657 HZ2 TRP 82 HZ2 TRP 82 2.290 0.015 7.539 658 HZ3 TRP 82 HZ3 TRP 82 5.150 -1.756 10.164 659 HH2 TRP 82 HH2 TRP 82 2.846 -1.150 9.628 660 H SER 83 HN SER 83 7.743 3.356 7.154 661 HA SER 83 HA SER 83 9.369 2.776 9.535 662 HB2 SER 83 HB2 SER 83 9.200 5.504 9.608 663 HB3 SER 83 HB1 SER 83 10.586 4.603 8.997 664 HG SER 83 HG SER 83 9.329 6.325 7.650 665 H LEU 84 HN LEU 84 8.492 3.414 11.525 666 HA LEU 84 HA LEU 84 5.668 4.237 11.454 667 HB2 LEU 84 HB2 LEU 84 6.753 1.773 12.396 668 HB3 LEU 84 HB1 LEU 84 6.118 2.655 13.768 669 HG LEU 84 HG LEU 84 4.389 2.435 11.359 670 HD11 LEU 84 HD11 LEU 84 4.860 0.196 11.344 671 HD12 LEU 84 HD12 LEU 84 3.564 0.240 12.538 672 HD13 LEU 84 HD13 LEU 84 5.245 0.152 13.064 673 HD21 LEU 84 HD21 LEU 84 2.652 2.627 12.889 674 HD22 LEU 84 HD22 LEU 84 3.906 3.659 13.577 675 HD23 LEU 84 HD23 LEU 84 3.636 2.043 14.231 676 H GLU 85 HN GLU 85 5.185 5.903 12.704 677 HA GLU 85 HA GLU 85 7.014 6.628 14.888 678 HB2 GLU 85 HB2 GLU 85 5.762 8.507 12.877 679 HB3 GLU 85 HB1 GLU 85 6.679 9.008 14.289 680 HG2 GLU 85 HG2 GLU 85 8.387 7.261 13.033 681 HG3 GLU 85 HG1 GLU 85 7.599 8.090 11.691 682 H GLY 86 HN GLY 86 5.668 5.893 16.506 683 HA2 GLY 86 HA2 GLY 86 3.992 6.080 18.068 684 HA3 GLY 86 HA1 GLY 86 3.598 7.633 17.349 685 H ASN 87 HN ASN 87 1.769 7.814 16.211 686 HA ASN 87 HA ASN 87 0.273 5.337 15.681 687 HB2 ASN 87 HB2 ASN 87 -0.771 8.152 16.062 688 HB3 ASN 87 HB1 ASN 87 -1.758 6.722 15.774 689 HD21 ASN 87 HD21 ASN 87 -1.774 5.066 17.387 690 HD22 ASN 87 HD22 ASN 87 -1.470 5.464 19.040 691 H LYS 88 HN LYS 88 2.311 6.806 13.963 692 HA LYS 88 HA LYS 88 0.654 6.851 11.545 693 HB2 LYS 88 HB2 LYS 88 2.839 8.876 11.988 694 HB3 LYS 88 HB1 LYS 88 1.613 8.860 10.728 695 HG2 LYS 88 HG2 LYS 88 -0.083 9.504 12.225 696 HG3 LYS 88 HG1 LYS 88 0.920 9.154 13.634 697 HD2 LYS 88 HD2 LYS 88 1.416 11.339 11.612 698 HD3 LYS 88 HD1 LYS 88 0.746 11.563 13.229 699 HE2 LYS 88 HE2 LYS 88 2.961 10.289 13.922 700 HE3 LYS 88 HE1 LYS 88 3.529 10.942 12.386 701 HZ1 LYS 88 HZ1 LYS 88 2.413 13.104 13.452 702 HZ2 LYS 88 HZ2 LYS 88 4.040 12.697 13.674 703 HZ3 LYS 88 HZ3 LYS 88 2.903 12.315 14.867 704 H LEU 89 HN LEU 89 1.580 5.949 9.772 705 HA LEU 89 HA LEU 89 4.343 4.967 10.066 706 HB2 LEU 89 HB2 LEU 89 2.523 3.564 8.204 707 HB3 LEU 89 HB1 LEU 89 3.772 2.924 9.251 708 HG LEU 89 HG LEU 89 2.068 3.521 11.160 709 HD11 LEU 89 HD11 LEU 89 -0.045 2.775 9.279 710 HD12 LEU 89 HD12 LEU 89 0.590 4.404 9.053 711 HD13 LEU 89 HD13 LEU 89 -0.063 3.924 10.616 712 HD21 LEU 89 HD21 LEU 89 2.922 1.261 10.375 713 HD22 LEU 89 HD22 LEU 89 1.453 1.161 9.405 714 HD23 LEU 89 HD23 LEU 89 1.344 1.282 11.161 715 H ILE 90 HN ILE 90 5.700 5.044 8.255 716 HA ILE 90 HA ILE 90 4.646 6.544 5.951 717 HB ILE 90 HB ILE 90 7.452 6.921 6.961 718 HG12 ILE 90 HG12 ILE 90 6.443 9.158 7.836 719 HG13 ILE 90 HG11 ILE 90 4.917 8.281 7.835 720 HG21 ILE 90 HG21 ILE 90 5.853 7.912 4.754 721 HG22 ILE 90 HG22 ILE 90 7.594 8.011 5.025 722 HG23 ILE 90 HG23 ILE 90 6.524 9.225 5.723 723 HD11 ILE 90 HD11 ILE 90 6.431 8.390 9.971 724 HD12 ILE 90 HD12 ILE 90 7.257 7.047 9.181 725 HD13 ILE 90 HD13 ILE 90 5.539 6.926 9.558 726 H GLY 91 HN GLY 91 4.496 4.805 4.585 727 HA2 GLY 91 HA2 GLY 91 6.750 3.021 4.210 728 HA3 GLY 91 HA1 GLY 91 5.198 2.932 3.388 729 H LYS 92 HN LYS 92 7.591 2.605 2.011 730 HA LYS 92 HA LYS 92 7.378 4.792 0.119 731 HB2 LYS 92 HB2 LYS 92 9.646 4.465 1.949 732 HB3 LYS 92 HB1 LYS 92 10.115 4.580 0.259 733 HG2 LYS 92 HG2 LYS 92 10.040 6.780 0.550 734 HG3 LYS 92 HG1 LYS 92 8.287 6.603 0.518 735 HD2 LYS 92 HD2 LYS 92 8.767 6.019 3.102 736 HD3 LYS 92 HD1 LYS 92 10.101 7.130 2.785 737 HE2 LYS 92 HE2 LYS 92 7.900 8.347 1.613 738 HE3 LYS 92 HE1 LYS 92 7.272 7.669 3.114 739 HZ1 LYS 92 HZ1 LYS 92 9.344 9.718 2.727 740 HZ2 LYS 92 HZ2 LYS 92 9.385 8.756 4.117 741 HZ3 LYS 92 HZ3 LYS 92 8.028 9.711 3.791 742 H PHE 93 HN PHE 93 8.372 4.364 -1.909 743 HA PHE 93 HA PHE 93 9.384 1.663 -2.370 744 HB2 PHE 93 HB2 PHE 93 7.016 2.845 -3.836 745 HB3 PHE 93 HB1 PHE 93 8.028 1.600 -4.507 746 HD1 PHE 93 HD1 PHE 93 8.220 -0.610 -3.280 747 HD2 PHE 93 HD2 PHE 93 5.197 2.278 -2.437 748 HE1 PHE 93 HE1 PHE 93 6.830 -2.362 -2.260 749 HE2 PHE 93 HE2 PHE 93 3.814 0.526 -1.413 750 HZ PHE 93 HZ PHE 93 4.621 -1.796 -1.330 751 H LYS 94 HN LYS 94 10.100 1.500 -4.721 752 HA LYS 94 HA LYS 94 10.791 3.961 -6.022 753 HB2 LYS 94 HB2 LYS 94 12.631 3.416 -4.242 754 HB3 LYS 94 HB1 LYS 94 13.134 2.205 -5.412 755 HG2 LYS 94 HG2 LYS 94 14.339 3.794 -6.345 756 HG3 LYS 94 HG1 LYS 94 12.814 4.447 -6.937 757 HD2 LYS 94 HD2 LYS 94 13.045 6.267 -5.677 758 HD3 LYS 94 HD1 LYS 94 13.251 5.284 -4.226 759 HE2 LYS 94 HE2 LYS 94 15.646 4.927 -5.377 760 HE3 LYS 94 HE1 LYS 94 15.264 6.543 -5.973 761 HZ1 LYS 94 HZ1 LYS 94 14.980 5.897 -3.108 762 HZ2 LYS 94 HZ2 LYS 94 15.209 7.405 -3.839 763 HZ3 LYS 94 HZ3 LYS 94 16.493 6.308 -3.746 764 H ARG 95 HN ARG 95 10.804 3.661 -8.159 765 HA ARG 95 HA ARG 95 10.318 1.016 -9.179 766 HB2 ARG 95 HB2 ARG 95 10.317 3.761 -10.333 767 HB3 ARG 95 HB1 ARG 95 10.518 2.406 -11.432 768 HG2 ARG 95 HG2 ARG 95 8.400 1.600 -9.905 769 HG3 ARG 95 HG1 ARG 95 8.146 3.341 -10.022 770 HD2 ARG 95 HD2 ARG 95 7.015 2.240 -11.846 771 HD3 ARG 95 HD1 ARG 95 8.368 3.181 -12.472 772 HE ARG 95 HE ARG 95 9.369 1.235 -13.161 773 HH11 ARG 95 HH11 ARG 95 6.741 0.465 -10.996 774 HH12 ARG 95 HH12 ARG 95 6.810 -1.235 -11.318 775 HH21 ARG 95 HH21 ARG 95 9.460 -1.001 -13.584 776 HH22 ARG 95 HH22 ARG 95 8.354 -2.068 -12.786 777 H THR 96 HN THR 96 11.516 -0.035 -10.794 778 HA THR 96 HA THR 96 14.351 0.116 -10.378 779 HB THR 96 HB THR 96 12.734 -1.932 -10.802 780 HG1 THR 96 HG1 THR 96 15.417 -1.660 -11.640 781 HG21 THR 96 HG21 THR 96 12.938 -2.860 -13.024 782 HG22 THR 96 HG22 THR 96 13.773 -1.408 -13.577 783 HG23 THR 96 HG23 THR 96 12.084 -1.318 -13.076 784 H ASP 97 HN ASP 97 12.114 1.302 -12.729 785 HA ASP 97 HA ASP 97 13.558 1.497 -15.044 786 HB2 ASP 97 HB2 ASP 97 11.247 2.259 -14.857 787 HB3 ASP 97 HB1 ASP 97 11.748 3.600 -13.831 788 H ASN 98 HN ASN 98 13.900 3.424 -12.132 789 HA ASN 98 HA ASN 98 16.569 4.081 -12.548 790 HB2 ASN 98 HB2 ASN 98 15.090 5.540 -14.309 791 HB3 ASN 98 HB1 ASN 98 15.133 6.634 -12.930 792 HD21 ASN 98 HD21 ASN 98 16.607 5.960 -15.721 793 HD22 ASN 98 HD22 ASN 98 18.208 6.508 -15.374 794 H GLY 99 HN GLY 99 14.936 3.238 -10.441 795 HA2 GLY 99 HA2 GLY 99 14.415 3.652 -8.254 796 HA3 GLY 99 HA1 GLY 99 15.848 4.664 -8.281 797 H ASN 100 HN ASN 100 12.466 4.790 -9.411 798 HA ASN 100 HA ASN 100 12.361 7.644 -9.125 799 HB2 ASN 100 HB2 ASN 100 10.362 5.519 -9.806 800 HB3 ASN 100 HB1 ASN 100 9.809 7.141 -9.413 801 HD21 ASN 100 HD21 ASN 100 10.541 5.175 -11.885 802 HD22 ASN 100 HD22 ASN 100 10.999 6.337 -13.079 803 H GLU 101 HN GLU 101 11.523 8.828 -7.473 804 HA GLU 101 HA GLU 101 11.404 7.594 -4.919 805 HB2 GLU 101 HB2 GLU 101 11.447 10.325 -5.976 806 HB3 GLU 101 HB1 GLU 101 10.493 10.141 -4.508 807 HG2 GLU 101 HG2 GLU 101 13.062 8.781 -4.397 808 HG3 GLU 101 HG1 GLU 101 13.193 10.519 -4.628 809 H LEU 102 HN LEU 102 9.768 7.004 -3.745 810 HA LEU 102 HA LEU 102 7.058 7.823 -4.482 811 HB2 LEU 102 HB2 LEU 102 7.712 5.615 -5.515 812 HB3 LEU 102 HB1 LEU 102 7.786 4.962 -3.887 813 HG LEU 102 HG LEU 102 5.249 6.296 -4.613 814 HD11 LEU 102 HD11 LEU 102 5.112 3.610 -5.537 815 HD12 LEU 102 HD12 LEU 102 6.348 4.493 -6.432 816 HD13 LEU 102 HD13 LEU 102 4.697 5.104 -6.371 817 HD21 LEU 102 HD21 LEU 102 6.244 4.313 -2.769 818 HD22 LEU 102 HD22 LEU 102 4.803 3.751 -3.616 819 HD23 LEU 102 HD23 LEU 102 4.759 5.263 -2.709 820 H ASN 103 HN ASN 103 6.319 8.814 -2.717 821 HA ASN 103 HA ASN 103 7.087 7.777 -0.080 822 HB2 ASN 103 HB2 ASN 103 5.882 10.489 -0.565 823 HB3 ASN 103 HB1 ASN 103 6.833 9.940 0.812 824 HD21 ASN 103 HD21 ASN 103 6.963 11.957 -1.647 825 HD22 ASN 103 HD22 ASN 103 8.646 11.908 -2.037 826 H THR 104 HN THR 104 5.601 7.398 1.502 827 HA THR 104 HA THR 104 2.784 7.832 0.955 828 HB THR 104 HB THR 104 3.942 5.091 1.443 829 HG1 THR 104 HG1 THR 104 3.999 5.315 -0.669 830 HG21 THR 104 HG21 THR 104 1.040 5.803 1.135 831 HG22 THR 104 HG22 THR 104 1.817 5.429 2.674 832 HG23 THR 104 HG23 THR 104 1.730 4.203 1.409 833 H VAL 105 HN VAL 105 1.752 8.468 2.720 834 HA VAL 105 HA VAL 105 2.927 7.808 5.342 835 HB VAL 105 HB VAL 105 1.535 10.403 4.687 836 HG11 VAL 105 HG11 VAL 105 1.927 11.043 6.828 837 HG12 VAL 105 HG12 VAL 105 3.416 10.107 6.954 838 HG13 VAL 105 HG13 VAL 105 1.854 9.302 7.100 839 HG21 VAL 105 HG21 VAL 105 4.323 9.568 4.268 840 HG22 VAL 105 HG22 VAL 105 4.119 11.102 5.114 841 HG23 VAL 105 HG23 VAL 105 3.402 10.872 3.520 842 H ARG 106 HN ARG 106 1.587 6.721 6.624 843 HA ARG 106 HA ARG 106 -1.312 7.007 6.179 844 HB2 ARG 106 HB2 ARG 106 -1.165 4.665 7.517 845 HB3 ARG 106 HB1 ARG 106 -1.172 4.787 5.768 846 HG2 ARG 106 HG2 ARG 106 1.427 4.862 7.217 847 HG3 ARG 106 HG1 ARG 106 0.598 3.322 7.002 848 HD2 ARG 106 HD2 ARG 106 0.712 4.926 4.567 849 HD3 ARG 106 HD1 ARG 106 2.302 4.498 5.198 850 HE ARG 106 HE ARG 106 0.397 2.322 5.002 851 HH11 ARG 106 HH11 ARG 106 3.023 4.050 3.477 852 HH12 ARG 106 HH12 ARG 106 3.448 2.732 2.438 853 HH21 ARG 106 HH21 ARG 106 0.957 0.594 3.633 854 HH22 ARG 106 HH22 ARG 106 2.276 0.773 2.525 855 H GLU 107 HN GLU 107 -2.292 8.096 7.725 856 HA GLU 107 HA GLU 107 -1.342 7.782 10.496 857 HB2 GLU 107 HB2 GLU 107 -2.009 10.123 10.911 858 HB3 GLU 107 HB1 GLU 107 -0.730 9.998 9.711 859 HG2 GLU 107 HG2 GLU 107 -2.374 10.290 7.929 860 HG3 GLU 107 HG1 GLU 107 -3.653 10.423 9.135 861 H ILE 108 HN ILE 108 -2.846 7.208 11.948 862 HA ILE 108 HA ILE 108 -5.384 6.336 11.137 863 HB ILE 108 HB ILE 108 -4.530 7.015 13.954 864 HG12 ILE 108 HG12 ILE 108 -3.040 5.398 12.643 865 HG13 ILE 108 HG11 ILE 108 -3.674 4.824 14.181 866 HG21 ILE 108 HG21 ILE 108 -6.253 5.502 14.673 867 HG22 ILE 108 HG22 ILE 108 -6.637 5.078 13.005 868 HG23 ILE 108 HG23 ILE 108 -6.968 6.706 13.599 869 HD11 ILE 108 HD11 ILE 108 -4.875 3.195 13.218 870 HD12 ILE 108 HD12 ILE 108 -3.740 3.418 11.887 871 HD13 ILE 108 HD13 ILE 108 -5.324 4.193 11.836 872 H ILE 109 HN ILE 109 -6.356 8.111 10.046 873 HA ILE 109 HA ILE 109 -6.946 10.529 11.480 874 HB ILE 109 HB ILE 109 -6.704 10.151 8.889 875 HG12 ILE 109 HG12 ILE 109 -8.068 12.176 8.510 876 HG13 ILE 109 HG11 ILE 109 -8.789 11.973 10.104 877 HG21 ILE 109 HG21 ILE 109 -9.670 9.786 9.242 878 HG22 ILE 109 HG22 ILE 109 -8.543 8.511 8.776 879 HG23 ILE 109 HG23 ILE 109 -8.790 9.900 7.716 880 HD11 ILE 109 HD11 ILE 109 -6.384 13.301 9.383 881 HD12 ILE 109 HD12 ILE 109 -5.991 11.951 10.448 882 HD13 ILE 109 HD13 ILE 109 -7.151 13.175 10.966 883 H GLY 110 HN GLY 110 -8.473 10.638 13.013 884 HA2 GLY 110 HA2 GLY 110 -10.350 10.099 14.239 885 HA3 GLY 110 HA1 GLY 110 -11.133 9.930 12.683 886 H ASP 111 HN ASP 111 -12.171 8.098 12.598 887 HA ASP 111 HA ASP 111 -11.101 5.728 13.945 888 HB2 ASP 111 HB2 ASP 111 -13.377 4.757 13.366 889 HB3 ASP 111 HB1 ASP 111 -13.386 6.103 14.501 890 H GLU 112 HN GLU 112 -10.386 7.049 11.214 891 HA GLU 112 HA GLU 112 -10.360 4.543 9.686 892 HB2 GLU 112 HB2 GLU 112 -11.013 7.330 8.739 893 HB3 GLU 112 HB1 GLU 112 -10.536 6.051 7.633 894 HG2 GLU 112 HG2 GLU 112 -12.465 4.744 8.834 895 HG3 GLU 112 HG1 GLU 112 -13.028 6.369 9.211 896 H LEU 113 HN LEU 113 -8.754 4.866 7.743 897 HA LEU 113 HA LEU 113 -6.332 6.188 8.789 898 HB2 LEU 113 HB2 LEU 113 -6.348 3.610 8.696 899 HB3 LEU 113 HB1 LEU 113 -6.271 3.803 6.961 900 HG LEU 113 HG LEU 113 -4.195 5.311 7.501 901 HD11 LEU 113 HD11 LEU 113 -4.479 3.606 9.954 902 HD12 LEU 113 HD12 LEU 113 -4.282 5.356 9.855 903 HD13 LEU 113 HD13 LEU 113 -2.941 4.291 9.429 904 HD21 LEU 113 HD21 LEU 113 -4.514 2.404 7.154 905 HD22 LEU 113 HD22 LEU 113 -2.930 2.946 7.709 906 HD23 LEU 113 HD23 LEU 113 -3.598 3.572 6.201 907 H VAL 114 HN VAL 114 -5.429 7.667 7.524 908 HA VAL 114 HA VAL 114 -6.434 7.921 4.765 909 HB VAL 114 HB VAL 114 -6.791 9.906 6.147 910 HG11 VAL 114 HG11 VAL 114 -4.069 10.805 6.411 911 HG12 VAL 114 HG12 VAL 114 -4.300 9.267 7.241 912 HG13 VAL 114 HG13 VAL 114 -5.323 10.646 7.642 913 HG21 VAL 114 HG21 VAL 114 -5.807 9.889 3.642 914 HG22 VAL 114 HG22 VAL 114 -4.581 10.869 4.447 915 HG23 VAL 114 HG23 VAL 114 -6.274 11.360 4.497 916 H GLN 115 HN GLN 115 -5.126 6.854 3.421 917 HA GLN 115 HA GLN 115 -2.234 6.962 3.886 918 HB2 GLN 115 HB2 GLN 115 -3.892 4.831 3.327 919 HB3 GLN 115 HB1 GLN 115 -3.156 5.174 1.769 920 HG2 GLN 115 HG2 GLN 115 -1.148 4.423 2.414 921 HG3 GLN 115 HG1 GLN 115 -1.279 5.152 4.011 922 HE21 GLN 115 HE21 GLN 115 -3.481 2.861 2.491 923 HE22 GLN 115 HE22 GLN 115 -3.242 1.592 3.638 924 H THR 116 HN THR 116 -1.355 8.642 2.895 925 HA THR 116 HA THR 116 -2.212 9.323 0.168 926 HB THR 116 HB THR 116 -0.488 10.911 2.080 927 HG1 THR 116 HG1 THR 116 -3.252 11.054 1.491 928 HG21 THR 116 HG21 THR 116 -1.382 11.377 -0.682 929 HG22 THR 116 HG22 THR 116 0.025 11.995 0.183 930 HG23 THR 116 HG23 THR 116 -1.557 12.733 0.432 931 H TYR 117 HN TYR 117 -1.064 8.328 -1.350 932 HA TYR 117 HA TYR 117 1.784 7.788 -0.867 933 HB2 TYR 117 HB2 TYR 117 0.128 6.735 -3.161 934 HB3 TYR 117 HB1 TYR 117 1.654 6.112 -2.550 935 HD1 TYR 117 HD2 TYR 117 -1.911 6.586 -1.527 936 HD2 TYR 117 HD1 TYR 117 1.640 4.280 -1.130 937 HE1 TYR 117 HE2 TYR 117 -3.136 4.946 -0.177 938 HE2 TYR 117 HE1 TYR 117 0.423 2.631 0.223 939 HH TYR 117 HH TYR 117 -1.519 2.362 1.496 940 H VAL 118 HN VAL 118 3.285 8.273 -2.641 941 HA VAL 118 HA VAL 118 2.320 10.024 -4.716 942 HB VAL 118 HB VAL 118 2.815 11.532 -2.770 943 HG11 VAL 118 HG11 VAL 118 4.909 11.773 -1.864 944 HG12 VAL 118 HG12 VAL 118 5.720 11.125 -3.290 945 HG13 VAL 118 HG13 VAL 118 4.883 10.039 -2.181 946 HG21 VAL 118 HG21 VAL 118 4.435 12.990 -4.201 947 HG22 VAL 118 HG22 VAL 118 2.815 12.635 -4.800 948 HG23 VAL 118 HG23 VAL 118 4.198 11.729 -5.411 949 H TYR 119 HN TYR 119 3.599 10.001 -6.532 950 HA TYR 119 HA TYR 119 6.301 9.000 -6.442 951 HB2 TYR 119 HB2 TYR 119 5.297 6.876 -6.486 952 HB3 TYR 119 HB1 TYR 119 4.055 7.377 -7.617 953 HD1 TYR 119 HD1 TYR 119 4.721 7.817 -10.022 954 HD2 TYR 119 HD2 TYR 119 7.321 5.949 -7.229 955 HE1 TYR 119 HE1 TYR 119 6.075 6.938 -11.878 956 HE2 TYR 119 HE2 TYR 119 8.679 5.062 -9.070 957 HH TYR 119 HH TYR 119 7.647 5.036 -12.269 958 H GLU 120 HN GLU 120 7.377 10.283 -7.755 959 HA GLU 120 HA GLU 120 7.615 12.053 -9.236 960 HB2 GLU 120 HB2 GLU 120 7.325 9.432 -10.608 961 HB3 GLU 120 HB1 GLU 120 7.476 10.873 -11.596 962 HG2 GLU 120 HG2 GLU 120 9.621 9.734 -11.164 963 HG3 GLU 120 HG1 GLU 120 9.583 11.411 -10.625 964 H GLY 121 HN GLY 121 5.853 13.447 -8.924 965 HA2 GLY 121 HA2 GLY 121 4.114 14.718 -9.716 966 HA3 GLY 121 HA1 GLY 121 4.226 13.822 -11.205 967 H VAL 122 HN VAL 122 3.787 11.493 -8.968 968 HA VAL 122 HA VAL 122 0.876 11.554 -9.363 969 HB VAL 122 HB VAL 122 2.507 9.122 -8.661 970 HG11 VAL 122 HG11 VAL 122 0.008 9.056 -10.250 971 HG12 VAL 122 HG12 VAL 122 -0.120 9.368 -8.520 972 HG13 VAL 122 HG13 VAL 122 0.650 7.891 -9.099 973 HG21 VAL 122 HG21 VAL 122 1.678 9.231 -11.415 974 HG22 VAL 122 HG22 VAL 122 3.268 8.918 -10.724 975 HG23 VAL 122 HG23 VAL 122 2.748 10.574 -11.020 976 H GLU 123 HN GLU 123 -0.517 11.119 -7.667 977 HA GLU 123 HA GLU 123 0.495 10.493 -5.058 978 HB2 GLU 123 HB2 GLU 123 0.551 13.124 -5.605 979 HB3 GLU 123 HB1 GLU 123 -1.113 12.980 -5.051 980 HG2 GLU 123 HG2 GLU 123 -0.484 12.321 -2.928 981 HG3 GLU 123 HG1 GLU 123 1.115 11.818 -3.446 982 H ALA 124 HN ALA 124 -0.905 9.113 -4.219 983 HA ALA 124 HA ALA 124 -3.739 9.406 -4.940 984 HB1 ALA 124 HB1 ALA 124 -4.013 7.066 -5.052 985 HB2 ALA 124 HB2 ALA 124 -2.455 6.772 -4.280 986 HB3 ALA 124 HB3 ALA 124 -2.517 7.403 -5.925 987 H LYS 125 HN LYS 125 -5.221 9.384 -3.377 988 HA LYS 125 HA LYS 125 -4.251 9.110 -0.608 989 HB2 LYS 125 HB2 LYS 125 -6.412 10.794 -1.854 990 HB3 LYS 125 HB1 LYS 125 -6.449 10.415 -0.138 991 HG2 LYS 125 HG2 LYS 125 -5.234 12.265 0.112 992 HG3 LYS 125 HG1 LYS 125 -3.884 11.292 -0.474 993 HD2 LYS 125 HD2 LYS 125 -5.129 12.106 -2.796 994 HD3 LYS 125 HD1 LYS 125 -5.279 13.514 -1.743 995 HE2 LYS 125 HE2 LYS 125 -2.704 12.833 -1.294 996 HE3 LYS 125 HE1 LYS 125 -2.889 12.300 -2.965 997 HZ1 LYS 125 HZ1 LYS 125 -3.577 14.491 -3.595 998 HZ2 LYS 125 HZ2 LYS 125 -2.116 14.615 -2.752 999 HZ3 LYS 125 HZ3 LYS 125 -3.569 15.020 -1.988 1000 H ARG 126 HN ARG 126 -5.055 7.496 0.590 1001 HA ARG 126 HA ARG 126 -7.402 6.076 -0.479 1002 HB2 ARG 126 HB2 ARG 126 -5.391 4.784 -0.825 1003 HB3 ARG 126 HB1 ARG 126 -4.942 4.960 0.864 1004 HG2 ARG 126 HG2 ARG 126 -7.034 3.706 1.451 1005 HG3 ARG 126 HG1 ARG 126 -7.239 3.388 -0.274 1006 HD2 ARG 126 HD2 ARG 126 -5.558 1.879 -0.330 1007 HD3 ARG 126 HD1 ARG 126 -4.582 2.767 0.838 1008 HE ARG 126 HE ARG 126 -6.237 0.560 1.386 1009 HH11 ARG 126 HH11 ARG 126 -5.382 3.674 2.711 1010 HH12 ARG 126 HH12 ARG 126 -5.688 3.201 4.348 1011 HH21 ARG 126 HH21 ARG 126 -6.640 -0.063 3.539 1012 HH22 ARG 126 HH22 ARG 126 -6.401 1.079 4.819 1013 H ILE 127 HN ILE 127 -9.098 6.291 0.774 1014 HA ILE 127 HA ILE 127 -8.877 6.884 3.597 1015 HB ILE 127 HB ILE 127 -11.324 6.344 1.900 1016 HG12 ILE 127 HG12 ILE 127 -11.702 8.787 2.087 1017 HG13 ILE 127 HG11 ILE 127 -10.157 8.948 2.915 1018 HG21 ILE 127 HG21 ILE 127 -11.016 6.419 4.727 1019 HG22 ILE 127 HG22 ILE 127 -12.490 6.211 3.781 1020 HG23 ILE 127 HG23 ILE 127 -11.952 7.829 4.227 1021 HD11 ILE 127 HD11 ILE 127 -10.313 7.746 0.183 1022 HD12 ILE 127 HD12 ILE 127 -8.946 8.517 0.987 1023 HD13 ILE 127 HD13 ILE 127 -10.297 9.494 0.411 1024 H PHE 128 HN PHE 128 -9.292 5.429 5.257 1025 HA PHE 128 HA PHE 128 -9.770 2.655 4.387 1026 HB2 PHE 128 HB2 PHE 128 -7.512 2.724 5.004 1027 HB3 PHE 128 HB1 PHE 128 -7.837 3.771 6.381 1028 HD1 PHE 128 HD1 PHE 128 -8.475 0.382 5.082 1029 HD2 PHE 128 HD2 PHE 128 -8.113 2.860 8.506 1030 HE1 PHE 128 HE1 PHE 128 -8.676 -1.575 6.508 1031 HE2 PHE 128 HE2 PHE 128 -8.285 0.867 9.954 1032 HZ PHE 128 HZ PHE 128 -8.584 -1.351 8.952 1033 H LYS 129 HN LYS 129 -10.766 1.236 5.811 1034 HA LYS 129 HA LYS 129 -12.043 2.269 8.207 1035 HB2 LYS 129 HB2 LYS 129 -14.244 1.512 7.593 1036 HB3 LYS 129 HB1 LYS 129 -13.673 2.672 6.404 1037 HG2 LYS 129 HG2 LYS 129 -13.628 1.157 4.753 1038 HG3 LYS 129 HG1 LYS 129 -13.125 -0.157 5.810 1039 HD2 LYS 129 HD2 LYS 129 -15.230 -0.804 6.201 1040 HD3 LYS 129 HD1 LYS 129 -15.798 0.856 6.382 1041 HE2 LYS 129 HE2 LYS 129 -15.074 0.059 3.642 1042 HE3 LYS 129 HE1 LYS 129 -16.470 -0.775 4.324 1043 HZ1 LYS 129 HZ1 LYS 129 -17.617 1.220 4.596 1044 HZ2 LYS 129 HZ2 LYS 129 -16.886 1.384 3.080 1045 HZ3 LYS 129 HZ3 LYS 129 -16.227 2.169 4.425 1046 H LYS 130 HN LYS 130 -12.820 0.529 9.591 1047 HA LYS 130 HA LYS 130 -11.386 -1.973 9.005 1048 HB2 LYS 130 HB2 LYS 130 -11.557 -2.339 11.514 1049 HB3 LYS 130 HB1 LYS 130 -10.458 -1.086 10.955 1050 HG2 LYS 130 HG2 LYS 130 -12.170 0.608 11.462 1051 HG3 LYS 130 HG1 LYS 130 -13.220 -0.667 12.082 1052 HD2 LYS 130 HD2 LYS 130 -10.472 -0.507 13.188 1053 HD3 LYS 130 HD1 LYS 130 -11.609 0.759 13.657 1054 HE2 LYS 130 HE2 LYS 130 -13.166 -1.396 14.011 1055 HE3 LYS 130 HE1 LYS 130 -11.589 -2.124 14.314 1056 HZ1 LYS 130 HZ1 LYS 130 -12.993 -0.934 16.200 1057 HZ2 LYS 130 HZ2 LYS 130 -12.146 0.416 15.634 1058 HZ3 LYS 130 HZ3 LYS 130 -11.300 -0.935 16.200 1059 H ASP 131 HN ASP 131 -12.291 -3.969 9.546 1060 HA ASP 131 HA ASP 131 -15.118 -4.116 9.039 1061 HB2 ASP 131 HB2 ASP 131 -13.067 -5.722 8.378 1062 HB3 ASP 131 HB1 ASP 131 -13.609 -6.547 9.835 1063 H2 KTR 201 H6 KET 1 -1.821 1.344 -4.890 1064 H3 KTR 201 H31 KET 1 1.989 -0.819 -2.065 1065 H4 KTR 201 H32 KET 1 2.697 0.143 -3.369 1066 H5 KTR 201 H21 KET 1 1.085 0.998 -1.047 1067 H6 KTR 201 H22 KET 1 2.427 1.829 -1.865 1068 H7 KTR 201 H1 KET 1 -0.130 2.548 -2.390 1069 H8 KTR 201 H11 KET 1 1.809 -1.417 -6.464 1070 H9 KTR 201 H13 KET 1 2.412 -2.309 -8.686 1071 H10 KTR 201 H15 KET 1 1.834 -4.640 -9.276 1072 H11 KTR 201 H14 KET 1 0.654 -6.068 -7.641 1073 H12 KTR 201 H12 KET 1 0.055 -5.166 -5.425 1074 H13 KTR 201 H7 KET 1 -1.688 -1.246 -5.568 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -4.000 0.166 18.651 2 H2 ALA 1 HT2 ALA 1 -3.500 0.628 17.075 3 H3 ALA 1 HT3 ALA 1 -2.733 -0.686 17.871 4 HA ALA 1 HA ALA 1 -4.516 -2.055 17.645 5 HB1 ALA 1 HB1 ALA 1 -6.019 0.492 17.418 6 HB2 ALA 1 HB2 ALA 1 -6.396 -0.971 18.327 7 HB3 ALA 1 HB3 ALA 1 -6.670 -0.921 16.586 8 H PHE 2 HN PHE 2 -2.389 -1.211 15.945 9 HA PHE 2 HA PHE 2 -3.364 -0.854 13.280 10 HB2 PHE 2 HB2 PHE 2 -0.740 -1.123 14.594 11 HB3 PHE 2 HB1 PHE 2 -0.807 -1.752 12.950 12 HD1 PHE 2 HD2 PHE 2 -2.099 -0.115 11.269 13 HD2 PHE 2 HD1 PHE 2 -0.116 1.064 14.844 14 HE1 PHE 2 HE2 PHE 2 -1.868 2.168 10.382 15 HE2 PHE 2 HE1 PHE 2 0.117 3.351 13.965 16 HZ PHE 2 HZ PHE 2 -0.759 3.904 11.731 17 H ASP 3 HN ASP 3 -1.910 -3.593 15.030 18 HA ASP 3 HA ASP 3 -1.998 -5.487 12.997 19 HB2 ASP 3 HB2 ASP 3 -1.609 -5.473 15.857 20 HB3 ASP 3 HB1 ASP 3 -2.579 -6.865 15.385 21 H SER 4 HN SER 4 -3.740 -5.965 11.795 22 HA SER 4 HA SER 4 -5.962 -7.317 12.770 23 HB2 SER 4 HB2 SER 4 -6.168 -4.626 13.431 24 HB3 SER 4 HB1 SER 4 -7.139 -4.766 11.969 25 HG SER 4 HG SER 4 -7.423 -6.217 14.386 26 H THR 5 HN THR 5 -7.921 -7.048 11.124 27 HA THR 5 HA THR 5 -6.770 -7.412 8.469 28 HB THR 5 HB THR 5 -9.589 -7.827 9.504 29 HG1 THR 5 HG1 THR 5 -8.477 -9.483 10.287 30 HG21 THR 5 HG21 THR 5 -8.882 -9.225 7.070 31 HG22 THR 5 HG22 THR 5 -8.880 -7.471 6.875 32 HG23 THR 5 HG23 THR 5 -10.325 -8.292 7.468 33 H TRP 6 HN TRP 6 -6.724 -5.758 7.049 34 HA TRP 6 HA TRP 6 -8.559 -3.523 7.566 35 HB2 TRP 6 HB2 TRP 6 -5.780 -3.563 6.458 36 HB3 TRP 6 HB1 TRP 6 -6.786 -2.170 6.306 37 HD1 TRP 6 HD1 TRP 6 -6.827 -4.245 9.508 38 HE1 TRP 6 HE1 TRP 6 -5.841 -2.847 11.423 39 HE3 TRP 6 HE3 TRP 6 -5.161 -0.241 6.805 40 HZ2 TRP 6 HZ2 TRP 6 -4.531 -0.383 11.751 41 HZ3 TRP 6 HZ3 TRP 6 -4.047 1.598 8.000 42 HH2 TRP 6 HH2 TRP 6 -3.740 1.530 10.423 43 H LYS 7 HN LYS 7 -9.981 -2.996 6.159 44 HA LYS 7 HA LYS 7 -9.677 -3.877 3.367 45 HB2 LYS 7 HB2 LYS 7 -12.063 -4.228 3.213 46 HB3 LYS 7 HB1 LYS 7 -11.440 -5.161 4.566 47 HG2 LYS 7 HG2 LYS 7 -12.809 -4.145 5.973 48 HG3 LYS 7 HG1 LYS 7 -12.236 -2.561 5.456 49 HD2 LYS 7 HD2 LYS 7 -13.807 -3.271 3.354 50 HD3 LYS 7 HD1 LYS 7 -14.660 -4.034 4.697 51 HE2 LYS 7 HE2 LYS 7 -14.161 -1.618 5.771 52 HE3 LYS 7 HE1 LYS 7 -14.268 -1.176 4.068 53 HZ1 LYS 7 HZ1 LYS 7 -16.359 -2.927 5.080 54 HZ2 LYS 7 HZ2 LYS 7 -16.461 -1.634 3.995 55 HZ3 LYS 7 HZ3 LYS 7 -16.378 -1.337 5.657 56 H VAL 8 HN VAL 8 -9.342 -2.231 2.134 57 HA VAL 8 HA VAL 8 -9.816 0.445 2.900 58 HB VAL 8 HB VAL 8 -8.070 -0.541 1.254 59 HG11 VAL 8 HG11 VAL 8 -9.783 -1.525 -0.261 60 HG12 VAL 8 HG12 VAL 8 -8.635 -0.460 -1.072 61 HG13 VAL 8 HG13 VAL 8 -10.264 0.111 -0.712 62 HG21 VAL 8 HG21 VAL 8 -8.967 1.897 -0.011 63 HG22 VAL 8 HG22 VAL 8 -7.535 1.590 0.972 64 HG23 VAL 8 HG23 VAL 8 -9.063 2.000 1.747 65 H ASP 9 HN ASP 9 -11.466 1.809 2.492 66 HA ASP 9 HA ASP 9 -13.883 0.672 1.344 67 HB2 ASP 9 HB2 ASP 9 -14.052 1.885 3.459 68 HB3 ASP 9 HB1 ASP 9 -13.406 3.335 2.698 69 H ARG 10 HN ARG 10 -12.393 3.904 1.018 70 HA ARG 10 HA ARG 10 -12.957 3.726 -1.870 71 HB2 ARG 10 HB2 ARG 10 -13.179 6.299 -1.706 72 HB3 ARG 10 HB1 ARG 10 -14.532 5.298 -1.204 73 HG2 ARG 10 HG2 ARG 10 -13.406 5.530 1.160 74 HG3 ARG 10 HG1 ARG 10 -12.695 6.971 0.429 75 HD2 ARG 10 HD2 ARG 10 -14.958 7.730 -0.191 76 HD3 ARG 10 HD1 ARG 10 -15.633 6.323 0.629 77 HE ARG 10 HE ARG 10 -13.934 7.932 2.300 78 HH11 ARG 10 HH11 ARG 10 -17.180 7.504 1.091 79 HH12 ARG 10 HH12 ARG 10 -17.918 8.336 2.418 80 HH21 ARG 10 HH21 ARG 10 -14.903 9.027 4.046 81 HH22 ARG 10 HH22 ARG 10 -16.626 9.202 4.095 82 H SER 11 HN SER 11 -11.646 5.384 -3.135 83 HA SER 11 HA SER 11 -9.022 5.866 -1.941 84 HB2 SER 11 HB2 SER 11 -7.807 4.664 -3.536 85 HB3 SER 11 HB1 SER 11 -9.180 3.610 -3.220 86 HG SER 11 HG SER 11 -8.718 3.935 -5.478 87 H GLU 12 HN GLU 12 -7.641 7.240 -3.313 88 HA GLU 12 HA GLU 12 -9.138 8.924 -5.191 89 HB2 GLU 12 HB2 GLU 12 -7.830 9.752 -2.649 90 HB3 GLU 12 HB1 GLU 12 -7.669 10.829 -4.030 91 HG2 GLU 12 HG2 GLU 12 -10.332 10.283 -4.075 92 HG3 GLU 12 HG1 GLU 12 -9.989 10.254 -2.346 93 H ASN 13 HN ASN 13 -8.038 9.282 -7.015 94 HA ASN 13 HA ASN 13 -6.386 9.298 -8.559 95 HB2 ASN 13 HB2 ASN 13 -5.193 10.418 -6.119 96 HB3 ASN 13 HB1 ASN 13 -4.040 9.817 -7.297 97 HD21 ASN 13 HD21 ASN 13 -4.426 12.528 -6.504 98 HD22 ASN 13 HD22 ASN 13 -4.908 13.410 -7.910 99 H TYR 14 HN TYR 14 -6.902 6.845 -6.722 100 HA TYR 14 HA TYR 14 -4.538 5.402 -6.448 101 HB2 TYR 14 HB2 TYR 14 -6.956 4.842 -5.657 102 HB3 TYR 14 HB1 TYR 14 -7.112 4.068 -7.227 103 HD1 TYR 14 HD2 TYR 14 -5.184 2.374 -7.821 104 HD2 TYR 14 HD1 TYR 14 -6.178 3.597 -3.880 105 HE1 TYR 14 HE2 TYR 14 -4.096 0.356 -6.931 106 HE2 TYR 14 HE1 TYR 14 -5.093 1.586 -2.972 107 HH TYR 14 HH TYR 14 -3.387 -0.040 -3.628 108 H ASP 15 HN ASP 15 -6.732 5.797 -9.169 109 HA ASP 15 HA ASP 15 -5.525 3.982 -10.952 110 HB2 ASP 15 HB2 ASP 15 -7.043 6.549 -11.481 111 HB3 ASP 15 HB1 ASP 15 -6.615 5.375 -12.723 112 H LYS 16 HN LYS 16 -4.819 7.255 -10.002 113 HA LYS 16 HA LYS 16 -3.130 8.172 -11.960 114 HB2 LYS 16 HB2 LYS 16 -3.898 9.110 -9.580 115 HB3 LYS 16 HB1 LYS 16 -2.298 8.551 -9.126 116 HG2 LYS 16 HG2 LYS 16 -1.526 10.495 -9.830 117 HG3 LYS 16 HG1 LYS 16 -1.906 9.984 -11.468 118 HD2 LYS 16 HD2 LYS 16 -4.315 10.810 -10.778 119 HD3 LYS 16 HD1 LYS 16 -3.388 11.777 -9.626 120 HE2 LYS 16 HE2 LYS 16 -2.022 12.614 -11.539 121 HE3 LYS 16 HE1 LYS 16 -3.116 11.765 -12.631 122 HZ1 LYS 16 HZ1 LYS 16 -4.360 13.549 -10.701 123 HZ2 LYS 16 HZ2 LYS 16 -4.736 13.281 -12.328 124 HZ3 LYS 16 HZ3 LYS 16 -3.447 14.295 -11.915 125 H PHE 17 HN PHE 17 -2.391 6.007 -9.290 126 HA PHE 17 HA PHE 17 0.374 5.818 -9.948 127 HB2 PHE 17 HB2 PHE 17 -1.421 4.143 -8.192 128 HB3 PHE 17 HB1 PHE 17 0.298 3.804 -8.401 129 HD1 PHE 17 HD1 PHE 17 -1.149 7.154 -8.374 130 HD2 PHE 17 HD2 PHE 17 0.965 4.211 -6.093 131 HE1 PHE 17 HE1 PHE 17 -0.621 8.859 -6.721 132 HE2 PHE 17 HE2 PHE 17 1.500 5.937 -4.420 133 HZ PHE 17 HZ PHE 17 0.714 8.251 -4.728 134 H MET 18 HN MET 18 -2.484 3.927 -10.776 135 HA MET 18 HA MET 18 -1.276 1.743 -11.971 136 HB2 MET 18 HB2 MET 18 -3.861 3.177 -12.443 137 HB3 MET 18 HB1 MET 18 -3.377 1.877 -13.523 138 HG2 MET 18 HG2 MET 18 -4.841 1.072 -11.757 139 HG3 MET 18 HG1 MET 18 -3.244 0.350 -11.655 140 HE1 MET 18 HE1 MET 18 -3.557 -0.428 -9.019 141 HE2 MET 18 HE2 MET 18 -2.510 0.649 -8.096 142 HE3 MET 18 HE3 MET 18 -2.014 0.092 -9.693 143 H GLU 19 HN GLU 19 -1.682 5.035 -13.176 144 HA GLU 19 HA GLU 19 -0.762 4.262 -15.821 145 HB2 GLU 19 HB2 GLU 19 -1.204 7.068 -14.810 146 HB3 GLU 19 HB1 GLU 19 -1.196 6.511 -16.478 147 HG2 GLU 19 HG2 GLU 19 -3.252 5.810 -14.394 148 HG3 GLU 19 HG1 GLU 19 -3.451 6.983 -15.695 149 H LYS 20 HN LYS 20 0.376 6.642 -13.406 150 HA LYS 20 HA LYS 20 2.880 7.063 -14.619 151 HB2 LYS 20 HB2 LYS 20 1.888 8.638 -13.072 152 HB3 LYS 20 HB1 LYS 20 2.017 7.475 -11.761 153 HG2 LYS 20 HG2 LYS 20 3.921 8.494 -11.282 154 HG3 LYS 20 HG1 LYS 20 4.597 7.638 -12.661 155 HD2 LYS 20 HD2 LYS 20 3.538 9.757 -13.921 156 HD3 LYS 20 HD1 LYS 20 3.872 10.494 -12.349 157 HE2 LYS 20 HE2 LYS 20 5.934 10.818 -13.154 158 HE3 LYS 20 HE1 LYS 20 6.174 9.104 -12.826 159 HZ1 LYS 20 HZ1 LYS 20 4.959 9.762 -15.385 160 HZ2 LYS 20 HZ2 LYS 20 6.118 8.590 -15.005 161 HZ3 LYS 20 HZ3 LYS 20 6.583 10.204 -15.203 162 H MET 21 HN MET 21 1.726 4.489 -12.650 163 HA MET 21 HA MET 21 4.476 3.570 -12.168 164 HB2 MET 21 HB2 MET 21 2.959 3.769 -10.187 165 HB3 MET 21 HB1 MET 21 1.931 2.541 -10.907 166 HG2 MET 21 HG2 MET 21 3.507 0.861 -10.612 167 HG3 MET 21 HG1 MET 21 4.821 2.008 -10.369 168 HE1 MET 21 HE1 MET 21 1.397 1.819 -7.329 169 HE2 MET 21 HE2 MET 21 1.474 0.519 -8.518 170 HE3 MET 21 HE3 MET 21 1.284 2.190 -9.049 171 H GLY 22 HN GLY 22 1.856 3.097 -14.225 172 HA2 GLY 22 HA2 GLY 22 1.398 1.505 -15.816 173 HA3 GLY 22 HA1 GLY 22 3.067 0.983 -15.625 174 H VAL 23 HN VAL 23 0.236 0.962 -13.477 175 HA VAL 23 HA VAL 23 0.891 -1.765 -12.680 176 HB VAL 23 HB VAL 23 -1.431 -0.161 -11.639 177 HG11 VAL 23 HG11 VAL 23 0.206 -2.456 -10.612 178 HG12 VAL 23 HG12 VAL 23 -1.536 -2.372 -10.870 179 HG13 VAL 23 HG13 VAL 23 -0.796 -1.472 -9.544 180 HG21 VAL 23 HG21 VAL 23 1.399 -0.051 -10.606 181 HG22 VAL 23 HG22 VAL 23 -0.004 0.769 -9.922 182 HG23 VAL 23 HG23 VAL 23 0.599 1.232 -11.513 183 H ASN 24 HN ASN 24 -0.046 -3.498 -13.528 184 HA ASN 24 HA ASN 24 -1.844 -3.446 -15.625 185 HB2 ASN 24 HB2 ASN 24 -2.168 -5.899 -14.995 186 HB3 ASN 24 HB1 ASN 24 -0.534 -5.383 -15.371 187 HD21 ASN 24 HD21 ASN 24 0.601 -6.804 -14.186 188 HD22 ASN 24 HD22 ASN 24 0.505 -6.944 -12.467 189 H ILE 25 HN ILE 25 -4.035 -3.943 -15.808 190 HA ILE 25 HA ILE 25 -5.674 -2.982 -13.656 191 HB ILE 25 HB ILE 25 -6.144 -2.538 -16.065 192 HG12 ILE 25 HG12 ILE 25 -8.534 -2.655 -15.821 193 HG13 ILE 25 HG11 ILE 25 -8.404 -3.946 -14.635 194 HG21 ILE 25 HG21 ILE 25 -6.957 -4.152 -17.520 195 HG22 ILE 25 HG22 ILE 25 -7.342 -5.275 -16.216 196 HG23 ILE 25 HG23 ILE 25 -5.661 -4.996 -16.672 197 HD11 ILE 25 HD11 ILE 25 -8.914 -1.607 -13.787 198 HD12 ILE 25 HD12 ILE 25 -7.232 -1.229 -14.160 199 HD13 ILE 25 HD13 ILE 25 -7.614 -2.489 -12.986 200 H VAL 26 HN VAL 26 -4.821 -6.077 -14.999 201 HA VAL 26 HA VAL 26 -6.839 -7.707 -14.036 202 HB VAL 26 HB VAL 26 -3.916 -8.459 -14.109 203 HG11 VAL 26 HG11 VAL 26 -5.070 -10.194 -13.055 204 HG12 VAL 26 HG12 VAL 26 -4.982 -10.703 -14.742 205 HG13 VAL 26 HG13 VAL 26 -6.478 -10.019 -14.104 206 HG21 VAL 26 HG21 VAL 26 -5.453 -9.255 -16.421 207 HG22 VAL 26 HG22 VAL 26 -3.925 -8.380 -16.334 208 HG23 VAL 26 HG23 VAL 26 -5.451 -7.502 -16.230 209 H LYS 27 HN LYS 27 -3.847 -6.713 -12.391 210 HA LYS 27 HA LYS 27 -4.653 -8.030 -9.940 211 HB2 LYS 27 HB2 LYS 27 -2.239 -7.722 -10.876 212 HB3 LYS 27 HB1 LYS 27 -2.347 -6.121 -10.158 213 HG2 LYS 27 HG2 LYS 27 -1.494 -7.144 -8.357 214 HG3 LYS 27 HG1 LYS 27 -3.164 -7.644 -8.084 215 HD2 LYS 27 HD2 LYS 27 -2.281 -9.714 -8.021 216 HD3 LYS 27 HD1 LYS 27 -2.320 -9.582 -9.781 217 HE2 LYS 27 HE2 LYS 27 -0.144 -10.315 -9.238 218 HE3 LYS 27 HE1 LYS 27 0.007 -8.602 -9.626 219 HZ1 LYS 27 HZ1 LYS 27 1.156 -8.608 -7.701 220 HZ2 LYS 27 HZ2 LYS 27 0.363 -9.967 -7.081 221 HZ3 LYS 27 HZ3 LYS 27 -0.383 -8.451 -7.014 222 H ARG 28 HN ARG 28 -4.673 -4.844 -11.330 223 HA ARG 28 HA ARG 28 -5.138 -3.411 -8.907 224 HB2 ARG 28 HB2 ARG 28 -4.206 -2.373 -10.958 225 HB3 ARG 28 HB1 ARG 28 -5.765 -2.586 -11.739 226 HG2 ARG 28 HG2 ARG 28 -5.839 -1.216 -9.157 227 HG3 ARG 28 HG1 ARG 28 -4.965 -0.373 -10.430 228 HD2 ARG 28 HD2 ARG 28 -7.672 -1.531 -10.918 229 HD3 ARG 28 HD1 ARG 28 -7.462 0.040 -10.166 230 HE ARG 28 HE ARG 28 -6.024 -0.267 -12.632 231 HH11 ARG 28 HH11 ARG 28 -9.058 0.661 -11.177 232 HH12 ARG 28 HH12 ARG 28 -9.537 1.653 -12.512 233 HH21 ARG 28 HH21 ARG 28 -6.654 1.037 -14.389 234 HH22 ARG 28 HH22 ARG 28 -8.174 1.866 -14.336 235 H LYS 29 HN LYS 29 -7.151 -5.160 -11.115 236 HA LYS 29 HA LYS 29 -9.613 -4.018 -10.879 237 HB2 LYS 29 HB2 LYS 29 -8.661 -6.810 -11.183 238 HB3 LYS 29 HB1 LYS 29 -10.348 -6.595 -10.735 239 HG2 LYS 29 HG2 LYS 29 -10.912 -5.982 -12.792 240 HG3 LYS 29 HG1 LYS 29 -9.579 -4.833 -12.899 241 HD2 LYS 29 HD2 LYS 29 -8.354 -6.236 -14.128 242 HD3 LYS 29 HD1 LYS 29 -8.657 -7.580 -13.025 243 HE2 LYS 29 HE2 LYS 29 -10.569 -6.620 -15.152 244 HE3 LYS 29 HE1 LYS 29 -9.483 -7.999 -15.319 245 HZ1 LYS 29 HZ1 LYS 29 -11.914 -7.731 -13.711 246 HZ2 LYS 29 HZ2 LYS 29 -10.680 -8.724 -13.117 247 HZ3 LYS 29 HZ3 LYS 29 -11.367 -9.042 -14.629 248 H LEU 30 HN LEU 30 -8.033 -6.133 -8.518 249 HA LEU 30 HA LEU 30 -10.206 -5.565 -6.625 250 HB2 LEU 30 HB2 LEU 30 -8.101 -7.678 -6.282 251 HB3 LEU 30 HB1 LEU 30 -9.664 -7.560 -5.500 252 HG LEU 30 HG LEU 30 -9.791 -7.817 -8.427 253 HD11 LEU 30 HD11 LEU 30 -7.910 -9.415 -7.201 254 HD12 LEU 30 HD12 LEU 30 -8.720 -9.744 -8.732 255 HD13 LEU 30 HD13 LEU 30 -9.352 -10.430 -7.236 256 HD21 LEU 30 HD21 LEU 30 -11.837 -7.940 -7.339 257 HD22 LEU 30 HD22 LEU 30 -11.195 -8.930 -6.029 258 HD23 LEU 30 HD23 LEU 30 -11.437 -9.633 -7.628 259 H ALA 31 HN ALA 31 -7.000 -4.779 -7.363 260 HA ALA 31 HA ALA 31 -6.263 -4.202 -4.604 261 HB1 ALA 31 HB1 ALA 31 -4.583 -3.581 -7.006 262 HB2 ALA 31 HB2 ALA 31 -4.702 -5.219 -6.363 263 HB3 ALA 31 HB3 ALA 31 -4.074 -3.918 -5.351 264 H ALA 32 HN ALA 32 -7.673 -2.580 -7.272 265 HA ALA 32 HA ALA 32 -6.658 -0.005 -7.014 266 HB1 ALA 32 HB1 ALA 32 -8.413 0.722 -8.316 267 HB2 ALA 32 HB2 ALA 32 -9.553 -0.422 -7.606 268 HB3 ALA 32 HB3 ALA 32 -8.323 -0.988 -8.735 269 H HIS 33 HN HIS 33 -9.481 -1.425 -5.341 270 HA HIS 33 HA HIS 33 -9.106 -0.242 -2.898 271 HB2 HIS 33 HB2 HIS 33 -10.589 1.715 -2.901 272 HB3 HIS 33 HB1 HIS 33 -9.231 1.938 -3.994 273 HD1 HIS 33 HD1 HIS 33 -9.775 2.509 -6.370 274 HD2 HIS 33 HD2 HIS 33 -13.071 1.089 -4.278 275 HE1 HIS 33 HE1 HIS 33 -11.738 2.834 -7.909 276 HE2 HIS 33 HE2 HIS 33 -13.707 1.884 -6.656 277 H ASP 34 HN ASP 34 -11.552 -0.938 -5.332 278 HA ASP 34 HA ASP 34 -13.773 -1.269 -3.731 279 HB2 ASP 34 HB2 ASP 34 -13.100 -2.929 -6.164 280 HB3 ASP 34 HB1 ASP 34 -14.706 -2.617 -5.513 281 H ASN 35 HN ASN 35 -11.609 -3.895 -4.824 282 HA ASN 35 HA ASN 35 -12.521 -5.431 -2.507 283 HB2 ASN 35 HB2 ASN 35 -11.408 -6.587 -5.059 284 HB3 ASN 35 HB1 ASN 35 -12.204 -7.455 -3.750 285 HD21 ASN 35 HD21 ASN 35 -14.211 -8.001 -4.143 286 HD22 ASN 35 HD22 ASN 35 -15.313 -7.175 -5.186 287 H LEU 36 HN LEU 36 -10.329 -3.536 -2.515 288 HA LEU 36 HA LEU 36 -7.915 -5.134 -2.502 289 HB2 LEU 36 HB2 LEU 36 -7.749 -2.868 -3.296 290 HB3 LEU 36 HB1 LEU 36 -8.447 -2.249 -1.812 291 HG LEU 36 HG LEU 36 -6.443 -3.054 -0.578 292 HD11 LEU 36 HD11 LEU 36 -4.733 -4.168 -1.536 293 HD12 LEU 36 HD12 LEU 36 -4.902 -3.325 -3.076 294 HD13 LEU 36 HD13 LEU 36 -5.983 -4.662 -2.679 295 HD21 LEU 36 HD21 LEU 36 -5.314 -1.348 -2.706 296 HD22 LEU 36 HD22 LEU 36 -5.347 -1.115 -0.958 297 HD23 LEU 36 HD23 LEU 36 -6.779 -0.755 -1.922 298 H LYS 37 HN LYS 37 -7.391 -6.368 -0.842 299 HA LYS 37 HA LYS 37 -8.309 -5.609 1.852 300 HB2 LYS 37 HB2 LYS 37 -9.215 -7.726 1.337 301 HB3 LYS 37 HB1 LYS 37 -7.727 -8.278 0.587 302 HG2 LYS 37 HG2 LYS 37 -8.203 -9.320 2.784 303 HG3 LYS 37 HG1 LYS 37 -6.652 -8.483 2.713 304 HD2 LYS 37 HD2 LYS 37 -7.834 -8.030 4.813 305 HD3 LYS 37 HD1 LYS 37 -7.616 -6.565 3.856 306 HE2 LYS 37 HE2 LYS 37 -9.842 -6.551 4.723 307 HE3 LYS 37 HE1 LYS 37 -9.936 -6.871 2.992 308 HZ1 LYS 37 HZ1 LYS 37 -10.673 -8.968 3.326 309 HZ2 LYS 37 HZ2 LYS 37 -11.238 -8.307 4.776 310 HZ3 LYS 37 HZ3 LYS 37 -9.795 -9.188 4.756 311 H LEU 38 HN LEU 38 -6.864 -4.779 3.084 312 HA LEU 38 HA LEU 38 -4.038 -5.515 2.736 313 HB2 LEU 38 HB2 LEU 38 -5.080 -3.076 2.379 314 HB3 LEU 38 HB1 LEU 38 -4.863 -2.994 4.110 315 HG LEU 38 HG LEU 38 -2.531 -3.025 3.954 316 HD11 LEU 38 HD11 LEU 38 -1.828 -4.792 2.703 317 HD12 LEU 38 HD12 LEU 38 -1.525 -3.501 1.538 318 HD13 LEU 38 HD13 LEU 38 -2.987 -4.482 1.410 319 HD21 LEU 38 HD21 LEU 38 -2.812 -0.917 3.189 320 HD22 LEU 38 HD22 LEU 38 -3.854 -1.421 1.859 321 HD23 LEU 38 HD23 LEU 38 -2.101 -1.584 1.716 322 H THR 39 HN THR 39 -3.075 -6.495 4.473 323 HA THR 39 HA THR 39 -4.560 -6.407 7.020 324 HB THR 39 HB THR 39 -2.976 -8.719 5.897 325 HG1 THR 39 HG1 THR 39 -5.765 -8.444 6.306 326 HG21 THR 39 HG21 THR 39 -4.139 -9.979 7.749 327 HG22 THR 39 HG22 THR 39 -4.476 -8.406 8.472 328 HG23 THR 39 HG23 THR 39 -2.808 -8.924 8.227 329 H ILE 40 HN ILE 40 -3.377 -6.581 8.963 330 HA ILE 40 HA ILE 40 -0.523 -5.886 8.749 331 HB ILE 40 HB ILE 40 -2.506 -4.656 10.677 332 HG12 ILE 40 HG12 ILE 40 -1.034 -3.323 8.395 333 HG13 ILE 40 HG11 ILE 40 -2.691 -3.909 8.275 334 HG21 ILE 40 HG21 ILE 40 -0.785 -3.871 11.853 335 HG22 ILE 40 HG22 ILE 40 0.045 -3.314 10.401 336 HG23 ILE 40 HG23 ILE 40 0.245 -4.979 10.946 337 HD11 ILE 40 HD11 ILE 40 -3.055 -2.402 10.376 338 HD12 ILE 40 HD12 ILE 40 -3.027 -1.702 8.758 339 HD13 ILE 40 HD13 ILE 40 -1.601 -1.595 9.789 340 H THR 41 HN THR 41 0.810 -6.967 10.080 341 HA THR 41 HA THR 41 -0.366 -8.495 12.304 342 HB THR 41 HB THR 41 1.919 -9.545 10.654 343 HG1 THR 41 HG1 THR 41 -0.849 -10.015 10.262 344 HG21 THR 41 HG21 THR 41 1.906 -11.041 12.303 345 HG22 THR 41 HG22 THR 41 0.460 -11.672 11.515 346 HG23 THR 41 HG23 THR 41 0.309 -10.550 12.867 347 H GLN 42 HN GLN 42 1.187 -9.053 14.009 348 HA GLN 42 HA GLN 42 3.315 -7.025 14.201 349 HB2 GLN 42 HB2 GLN 42 1.181 -7.754 16.000 350 HB3 GLN 42 HB1 GLN 42 2.738 -7.970 16.785 351 HG2 GLN 42 HG2 GLN 42 3.226 -5.748 16.751 352 HG3 GLN 42 HG1 GLN 42 2.273 -5.446 15.298 353 HE21 GLN 42 HE21 GLN 42 1.371 -3.629 16.365 354 HE22 GLN 42 HE22 GLN 42 0.111 -3.824 17.531 355 H GLU 43 HN GLU 43 5.339 -7.621 14.637 356 HA GLU 43 HA GLU 43 6.074 -10.032 15.942 357 HB2 GLU 43 HB2 GLU 43 6.118 -9.954 12.954 358 HB3 GLU 43 HB1 GLU 43 7.413 -10.787 13.802 359 HG2 GLU 43 HG2 GLU 43 5.184 -11.773 15.037 360 HG3 GLU 43 HG1 GLU 43 4.641 -11.574 13.372 361 H GLY 44 HN GLY 44 7.294 -8.586 17.166 362 HA2 GLY 44 HA2 GLY 44 9.166 -7.379 17.736 363 HA3 GLY 44 HA1 GLY 44 9.946 -8.164 16.371 364 H ASN 45 HN ASN 45 11.004 -6.490 15.369 365 HA ASN 45 HA ASN 45 9.649 -3.945 15.019 366 HB2 ASN 45 HB2 ASN 45 11.826 -3.374 13.780 367 HB3 ASN 45 HB1 ASN 45 11.926 -3.656 15.512 368 HD21 ASN 45 HD21 ASN 45 12.347 -5.209 12.377 369 HD22 ASN 45 HD22 ASN 45 13.582 -6.306 12.884 370 H LYS 46 HN LYS 46 9.033 -6.652 13.606 371 HA LYS 46 HA LYS 46 8.806 -5.465 10.933 372 HB2 LYS 46 HB2 LYS 46 9.750 -7.238 9.887 373 HB3 LYS 46 HB1 LYS 46 10.527 -7.480 11.441 374 HG2 LYS 46 HG2 LYS 46 9.766 -9.580 11.055 375 HG3 LYS 46 HG1 LYS 46 8.372 -8.926 11.910 376 HD2 LYS 46 HD2 LYS 46 7.109 -9.445 10.156 377 HD3 LYS 46 HD1 LYS 46 8.024 -8.285 9.190 378 HE2 LYS 46 HE2 LYS 46 8.016 -10.497 8.152 379 HE3 LYS 46 HE1 LYS 46 9.644 -10.014 8.627 380 HZ1 LYS 46 HZ1 LYS 46 8.121 -11.553 10.574 381 HZ2 LYS 46 HZ2 LYS 46 9.765 -11.626 10.183 382 HZ3 LYS 46 HZ3 LYS 46 8.626 -12.386 9.190 383 H PHE 47 HN PHE 47 6.916 -5.744 9.876 384 HA PHE 47 HA PHE 47 4.765 -7.111 11.357 385 HB2 PHE 47 HB2 PHE 47 4.693 -4.756 9.458 386 HB3 PHE 47 HB1 PHE 47 3.247 -5.601 9.990 387 HD1 PHE 47 HD2 PHE 47 5.602 -5.539 12.628 388 HD2 PHE 47 HD1 PHE 47 2.751 -3.121 10.598 389 HE1 PHE 47 HE2 PHE 47 5.468 -4.065 14.587 390 HE2 PHE 47 HE1 PHE 47 2.613 -1.640 12.556 391 HZ PHE 47 HZ PHE 47 3.972 -2.111 14.554 392 H THR 48 HN THR 48 2.925 -7.781 9.756 393 HA THR 48 HA THR 48 4.140 -8.968 7.339 394 HB THR 48 HB THR 48 1.972 -10.353 8.898 395 HG1 THR 48 HG1 THR 48 3.786 -10.030 10.287 396 HG21 THR 48 HG21 THR 48 2.192 -11.446 6.889 397 HG22 THR 48 HG22 THR 48 3.294 -12.353 7.926 398 HG23 THR 48 HG23 THR 48 3.929 -11.154 6.799 399 H VAL 49 HN VAL 49 3.154 -8.263 5.552 400 HA VAL 49 HA VAL 49 0.476 -7.111 5.771 401 HB VAL 49 HB VAL 49 2.166 -7.105 3.281 402 HG11 VAL 49 HG11 VAL 49 0.834 -4.786 3.273 403 HG12 VAL 49 HG12 VAL 49 -0.286 -5.756 4.229 404 HG13 VAL 49 HG13 VAL 49 0.170 -6.279 2.608 405 HG21 VAL 49 HG21 VAL 49 3.237 -5.109 3.928 406 HG22 VAL 49 HG22 VAL 49 3.403 -6.195 5.307 407 HG23 VAL 49 HG23 VAL 49 2.194 -4.911 5.335 408 H LYS 50 HN LYS 50 -1.158 -8.453 5.483 409 HA LYS 50 HA LYS 50 -0.882 -10.621 3.510 410 HB2 LYS 50 HB2 LYS 50 -2.046 -10.490 6.165 411 HB3 LYS 50 HB1 LYS 50 -3.213 -11.076 4.988 412 HG2 LYS 50 HG2 LYS 50 -2.294 -13.066 5.449 413 HG3 LYS 50 HG1 LYS 50 -1.060 -12.544 4.301 414 HD2 LYS 50 HD2 LYS 50 0.485 -12.143 5.934 415 HD3 LYS 50 HD1 LYS 50 -0.736 -11.735 7.140 416 HE2 LYS 50 HE2 LYS 50 -1.367 -14.160 7.185 417 HE3 LYS 50 HE1 LYS 50 0.033 -14.479 6.163 418 HZ1 LYS 50 HZ1 LYS 50 -0.009 -13.475 8.945 419 HZ2 LYS 50 HZ2 LYS 50 1.361 -13.326 7.965 420 HZ3 LYS 50 HZ3 LYS 50 0.753 -14.859 8.339 421 H GLU 51 HN GLU 51 -1.734 -10.099 1.608 422 HA GLU 51 HA GLU 51 -4.076 -8.341 1.551 423 HB2 GLU 51 HB2 GLU 51 -1.727 -8.591 -0.099 424 HB3 GLU 51 HB1 GLU 51 -3.176 -8.776 -1.078 425 HG2 GLU 51 HG2 GLU 51 -3.919 -6.640 -0.620 426 HG3 GLU 51 HG1 GLU 51 -2.955 -6.509 0.850 427 H SER 52 HN SER 52 -5.889 -8.842 0.276 428 HA SER 52 HA SER 52 -6.094 -11.593 -0.701 429 HB2 SER 52 HB2 SER 52 -8.301 -10.424 0.982 430 HB3 SER 52 HB1 SER 52 -8.033 -12.108 0.533 431 HG SER 52 HG SER 52 -6.554 -10.539 2.370 432 H SER 53 HN SER 53 -7.773 -11.941 -2.216 433 HA SER 53 HA SER 53 -9.280 -9.648 -3.169 434 HB2 SER 53 HB2 SER 53 -7.758 -11.110 -5.276 435 HB3 SER 53 HB1 SER 53 -8.308 -9.436 -5.244 436 HG SER 53 HG SER 53 -6.656 -9.108 -3.597 437 H ALA 54 HN ALA 54 -10.265 -10.607 -5.499 438 HA ALA 54 HA ALA 54 -12.229 -12.418 -4.697 439 HB1 ALA 54 HB1 ALA 54 -11.293 -11.752 -7.485 440 HB2 ALA 54 HB2 ALA 54 -12.558 -10.927 -6.575 441 HB3 ALA 54 HB3 ALA 54 -12.790 -12.598 -7.090 442 H PHE 55 HN PHE 55 -9.758 -13.098 -7.178 443 HA PHE 55 HA PHE 55 -9.699 -15.881 -6.210 444 HB2 PHE 55 HB2 PHE 55 -9.152 -14.955 -9.033 445 HB3 PHE 55 HB1 PHE 55 -9.288 -16.617 -8.469 446 HD1 PHE 55 HD2 PHE 55 -11.487 -17.513 -7.790 447 HD2 PHE 55 HD1 PHE 55 -11.071 -13.665 -9.558 448 HE1 PHE 55 HE2 PHE 55 -13.895 -17.490 -8.296 449 HE2 PHE 55 HE1 PHE 55 -13.478 -13.634 -10.066 450 HZ PHE 55 HZ PHE 55 -14.893 -15.548 -9.436 451 H ARG 56 HN ARG 56 -7.841 -13.093 -7.138 452 HA ARG 56 HA ARG 56 -5.320 -14.490 -7.184 453 HB2 ARG 56 HB2 ARG 56 -6.215 -12.092 -8.207 454 HB3 ARG 56 HB1 ARG 56 -5.209 -11.582 -6.859 455 HG2 ARG 56 HG2 ARG 56 -3.522 -11.727 -8.307 456 HG3 ARG 56 HG1 ARG 56 -3.639 -13.469 -8.051 457 HD2 ARG 56 HD2 ARG 56 -4.801 -11.829 -10.286 458 HD3 ARG 56 HD1 ARG 56 -3.638 -13.150 -10.392 459 HE ARG 56 HE ARG 56 -5.809 -14.338 -9.312 460 HH11 ARG 56 HH11 ARG 56 -5.357 -12.336 -12.135 461 HH12 ARG 56 HH12 ARG 56 -6.647 -13.078 -13.021 462 HH21 ARG 56 HH21 ARG 56 -7.505 -15.315 -10.476 463 HH22 ARG 56 HH22 ARG 56 -7.867 -14.768 -12.079 464 H ASN 57 HN ASN 57 -3.493 -13.571 -5.791 465 HA ASN 57 HA ASN 57 -4.377 -12.870 -3.093 466 HB2 ASN 57 HB2 ASN 57 -2.783 -14.599 -2.164 467 HB3 ASN 57 HB1 ASN 57 -4.236 -15.246 -2.920 468 HD21 ASN 57 HD21 ASN 57 -4.039 -16.636 -4.561 469 HD22 ASN 57 HD22 ASN 57 -2.543 -17.092 -5.296 470 H ILE 58 HN ILE 58 -2.860 -11.747 -1.874 471 HA ILE 58 HA ILE 58 -0.198 -11.305 -2.950 472 HB ILE 58 HB ILE 58 -1.654 -8.795 -2.311 473 HG12 ILE 58 HG12 ILE 58 -1.878 -10.104 -5.031 474 HG13 ILE 58 HG11 ILE 58 -3.184 -10.053 -3.852 475 HG21 ILE 58 HG21 ILE 58 0.635 -9.660 -4.016 476 HG22 ILE 58 HG22 ILE 58 0.567 -8.411 -2.773 477 HG23 ILE 58 HG23 ILE 58 -0.176 -8.130 -4.348 478 HD11 ILE 58 HD11 ILE 58 -1.965 -7.802 -5.398 479 HD12 ILE 58 HD12 ILE 58 -2.896 -7.513 -3.928 480 HD13 ILE 58 HD13 ILE 58 -3.653 -8.306 -5.311 481 H GLU 59 HN GLU 59 1.228 -10.247 -1.462 482 HA GLU 59 HA GLU 59 0.508 -9.337 1.078 483 HB2 GLU 59 HB2 GLU 59 1.394 -11.315 2.411 484 HB3 GLU 59 HB1 GLU 59 -0.201 -11.505 1.696 485 HG2 GLU 59 HG2 GLU 59 0.462 -13.150 0.317 486 HG3 GLU 59 HG1 GLU 59 2.045 -12.426 0.039 487 H VAL 60 HN VAL 60 2.476 -9.368 2.619 488 HA VAL 60 HA VAL 60 5.067 -9.849 1.677 489 HB VAL 60 HB VAL 60 4.575 -8.104 0.028 490 HG11 VAL 60 HG11 VAL 60 2.911 -6.862 1.329 491 HG12 VAL 60 HG12 VAL 60 4.176 -5.802 0.710 492 HG13 VAL 60 HG13 VAL 60 4.184 -6.287 2.407 493 HG21 VAL 60 HG21 VAL 60 6.864 -8.343 0.797 494 HG22 VAL 60 HG22 VAL 60 6.549 -7.252 2.147 495 HG23 VAL 60 HG23 VAL 60 6.504 -6.644 0.491 496 H VAL 61 HN VAL 61 6.542 -9.574 3.278 497 HA VAL 61 HA VAL 61 5.574 -8.862 5.871 498 HB VAL 61 HB VAL 61 7.115 -10.345 6.440 499 HG11 VAL 61 HG11 VAL 61 8.420 -10.002 3.761 500 HG12 VAL 61 HG12 VAL 61 7.200 -11.200 4.202 501 HG13 VAL 61 HG13 VAL 61 8.802 -11.261 4.936 502 HG21 VAL 61 HG21 VAL 61 8.386 -8.446 7.203 503 HG22 VAL 61 HG22 VAL 61 9.114 -8.251 5.608 504 HG23 VAL 61 HG23 VAL 61 9.491 -9.671 6.580 505 H PHE 62 HN PHE 62 6.730 -7.323 7.290 506 HA PHE 62 HA PHE 62 7.874 -5.039 5.843 507 HB2 PHE 62 HB2 PHE 62 5.323 -5.141 7.267 508 HB3 PHE 62 HB1 PHE 62 6.379 -3.872 7.871 509 HD1 PHE 62 HD1 PHE 62 7.742 -3.207 5.241 510 HD2 PHE 62 HD2 PHE 62 3.662 -3.848 6.259 511 HE1 PHE 62 HE1 PHE 62 7.053 -1.740 3.391 512 HE2 PHE 62 HE2 PHE 62 2.966 -2.385 4.411 513 HZ PHE 62 HZ PHE 62 4.662 -1.327 2.976 514 H GLU 63 HN GLU 63 9.241 -3.714 7.074 515 HA GLU 63 HA GLU 63 9.812 -4.486 9.812 516 HB2 GLU 63 HB2 GLU 63 11.164 -5.934 8.191 517 HB3 GLU 63 HB1 GLU 63 12.053 -4.470 7.811 518 HG2 GLU 63 HG2 GLU 63 12.637 -4.262 10.212 519 HG3 GLU 63 HG1 GLU 63 11.833 -5.805 10.498 520 H LEU 64 HN LEU 64 9.964 -2.672 10.936 521 HA LEU 64 HA LEU 64 10.087 -0.121 9.785 522 HB2 LEU 64 HB2 LEU 64 10.860 -0.835 12.612 523 HB3 LEU 64 HB1 LEU 64 10.299 0.722 12.031 524 HG LEU 64 HG LEU 64 8.689 -1.808 12.366 525 HD11 LEU 64 HD11 LEU 64 7.347 -0.430 13.846 526 HD12 LEU 64 HD12 LEU 64 8.368 0.967 13.504 527 HD13 LEU 64 HD13 LEU 64 9.033 -0.422 14.363 528 HD21 LEU 64 HD21 LEU 64 8.076 0.678 10.807 529 HD22 LEU 64 HD22 LEU 64 6.792 -0.279 11.547 530 HD23 LEU 64 HD23 LEU 64 7.856 -1.009 10.344 531 H GLY 65 HN GLY 65 11.751 0.765 8.746 532 HA2 GLY 65 HA2 GLY 65 13.905 1.740 8.710 533 HA3 GLY 65 HA1 GLY 65 14.412 0.619 9.967 534 H VAL 66 HN VAL 66 12.635 -0.537 7.245 535 HA VAL 66 HA VAL 66 15.083 -1.492 5.942 536 HB VAL 66 HB VAL 66 12.695 -3.265 6.451 537 HG11 VAL 66 HG11 VAL 66 13.721 -4.136 4.581 538 HG12 VAL 66 HG12 VAL 66 14.569 -4.991 5.869 539 HG13 VAL 66 HG13 VAL 66 15.326 -3.606 5.083 540 HG21 VAL 66 HG21 VAL 66 15.033 -2.651 8.111 541 HG22 VAL 66 HG22 VAL 66 14.747 -4.373 7.858 542 HG23 VAL 66 HG23 VAL 66 13.482 -3.361 8.555 543 H THR 67 HN THR 67 14.713 -2.244 3.753 544 HA THR 67 HA THR 67 12.969 -0.443 2.385 545 HB THR 67 HB THR 67 15.111 -2.363 1.638 546 HG1 THR 67 HG1 THR 67 15.768 -0.306 1.985 547 HG21 THR 67 HG21 THR 67 14.569 -1.430 -0.797 548 HG22 THR 67 HG22 THR 67 12.922 -1.566 -0.180 549 HG23 THR 67 HG23 THR 67 13.972 -2.983 -0.213 550 H PHE 68 HN PHE 68 11.189 -0.871 1.149 551 HA PHE 68 HA PHE 68 9.751 -3.297 1.762 552 HB2 PHE 68 HB2 PHE 68 8.821 -0.851 1.479 553 HB3 PHE 68 HB1 PHE 68 8.784 -1.276 -0.224 554 HD1 PHE 68 HD2 PHE 68 8.175 -4.114 1.872 555 HD2 PHE 68 HD1 PHE 68 6.319 -0.698 0.132 556 HE1 PHE 68 HE2 PHE 68 5.976 -5.154 2.171 557 HE2 PHE 68 HE1 PHE 68 4.118 -1.736 0.429 558 HZ PHE 68 HZ PHE 68 3.941 -3.973 1.448 559 H ASN 69 HN ASN 69 8.917 -4.732 0.119 560 HA ASN 69 HA ASN 69 10.532 -4.713 -2.345 561 HB2 ASN 69 HB2 ASN 69 9.776 -7.115 -0.673 562 HB3 ASN 69 HB1 ASN 69 10.606 -7.182 -2.225 563 HD21 ASN 69 HD21 ASN 69 12.014 -8.402 -0.555 564 HD22 ASN 69 HD22 ASN 69 13.291 -7.471 0.142 565 H TYR 70 HN TYR 70 9.514 -4.967 -4.201 566 HA TYR 70 HA TYR 70 7.011 -6.359 -4.428 567 HB2 TYR 70 HB2 TYR 70 6.776 -3.700 -3.796 568 HB3 TYR 70 HB1 TYR 70 6.721 -3.659 -5.556 569 HD1 TYR 70 HD1 TYR 70 5.095 -5.422 -6.652 570 HD2 TYR 70 HD2 TYR 70 4.805 -4.050 -2.636 571 HE1 TYR 70 HE1 TYR 70 2.732 -6.101 -6.598 572 HE2 TYR 70 HE2 TYR 70 2.441 -4.725 -2.570 573 HH TYR 70 HH TYR 70 1.016 -6.667 -5.011 574 H ASN 71 HN ASN 71 9.502 -6.853 -5.487 575 HA ASN 71 HA ASN 71 10.240 -5.846 -7.901 576 HB2 ASN 71 HB2 ASN 71 10.806 -8.387 -8.432 577 HB3 ASN 71 HB1 ASN 71 11.702 -7.470 -7.227 578 HD21 ASN 71 HD21 ASN 71 10.404 -10.359 -7.787 579 HD22 ASN 71 HD22 ASN 71 10.007 -10.851 -6.179 580 H LEU 72 HN LEU 72 8.686 -9.010 -8.161 581 HA LEU 72 HA LEU 72 7.249 -9.844 -9.717 582 HB2 LEU 72 HB2 LEU 72 5.924 -7.937 -8.325 583 HB3 LEU 72 HB1 LEU 72 5.753 -7.307 -9.952 584 HG LEU 72 HG LEU 72 4.739 -9.446 -10.659 585 HD11 LEU 72 HD11 LEU 72 5.902 -10.489 -8.414 586 HD12 LEU 72 HD12 LEU 72 4.658 -11.278 -9.383 587 HD13 LEU 72 HD13 LEU 72 4.207 -10.369 -7.941 588 HD21 LEU 72 HD21 LEU 72 3.584 -7.393 -9.238 589 HD22 LEU 72 HD22 LEU 72 3.019 -8.832 -8.390 590 HD23 LEU 72 HD23 LEU 72 2.722 -8.654 -10.119 591 H ALA 73 HN ALA 73 8.776 -9.973 -11.395 592 HA ALA 73 HA ALA 73 9.705 -8.050 -13.085 593 HB1 ALA 73 HB1 ALA 73 9.907 -9.815 -14.802 594 HB2 ALA 73 HB2 ALA 73 8.895 -10.862 -13.807 595 HB3 ALA 73 HB3 ALA 73 10.469 -10.333 -13.213 596 H ASP 74 HN ASP 74 6.571 -9.673 -13.270 597 HA ASP 74 HA ASP 74 5.817 -7.871 -15.470 598 HB2 ASP 74 HB2 ASP 74 5.582 -10.560 -15.417 599 HB3 ASP 74 HB1 ASP 74 4.024 -10.112 -14.730 600 H GLY 75 HN GLY 75 5.925 -6.928 -12.788 601 HA2 GLY 75 HA2 GLY 75 3.049 -6.446 -12.317 602 HA3 GLY 75 HA1 GLY 75 4.181 -6.681 -10.995 603 H THR 76 HN THR 76 5.997 -5.092 -10.874 604 HA THR 76 HA THR 76 5.640 -2.562 -12.186 605 HB THR 76 HB THR 76 3.898 -2.572 -10.409 606 HG1 THR 76 HG1 THR 76 4.508 -0.517 -9.584 607 HG21 THR 76 HG21 THR 76 4.571 -2.239 -8.084 608 HG22 THR 76 HG22 THR 76 6.240 -2.590 -8.525 609 HG23 THR 76 HG23 THR 76 5.007 -3.840 -8.680 610 H GLU 77 HN GLU 77 7.133 -4.269 -9.454 611 HA GLU 77 HA GLU 77 9.295 -4.382 -8.747 612 HB2 GLU 77 HB2 GLU 77 10.077 -2.767 -11.172 613 HB3 GLU 77 HB1 GLU 77 11.090 -3.850 -10.229 614 HG2 GLU 77 HG2 GLU 77 10.430 -5.649 -11.366 615 HG3 GLU 77 HG1 GLU 77 8.739 -5.153 -11.354 616 H LEU 78 HN LEU 78 8.719 -3.057 -6.976 617 HA LEU 78 HA LEU 78 9.901 -0.371 -7.118 618 HB2 LEU 78 HB2 LEU 78 7.173 -1.155 -6.265 619 HB3 LEU 78 HB1 LEU 78 7.984 0.044 -5.284 620 HG LEU 78 HG LEU 78 8.336 0.867 -7.948 621 HD11 LEU 78 HD11 LEU 78 6.079 1.037 -8.787 622 HD12 LEU 78 HD12 LEU 78 5.465 0.174 -7.377 623 HD13 LEU 78 HD13 LEU 78 6.501 -0.657 -8.542 624 HD21 LEU 78 HD21 LEU 78 6.702 2.663 -7.221 625 HD22 LEU 78 HD22 LEU 78 8.194 2.487 -6.303 626 HD23 LEU 78 HD23 LEU 78 6.677 1.836 -5.666 627 H ARG 79 HN ARG 79 11.296 0.082 -5.542 628 HA ARG 79 HA ARG 79 11.321 -1.586 -3.113 629 HB2 ARG 79 HB2 ARG 79 13.110 -1.973 -5.057 630 HB3 ARG 79 HB1 ARG 79 13.900 -0.624 -4.249 631 HG2 ARG 79 HG2 ARG 79 14.686 -1.973 -2.680 632 HG3 ARG 79 HG1 ARG 79 13.059 -2.541 -2.298 633 HD2 ARG 79 HD2 ARG 79 13.843 -4.528 -2.997 634 HD3 ARG 79 HD1 ARG 79 13.539 -3.874 -4.606 635 HE ARG 79 HE ARG 79 16.118 -3.127 -3.783 636 HH11 ARG 79 HH11 ARG 79 14.332 -5.967 -4.744 637 HH12 ARG 79 HH12 ARG 79 15.724 -6.783 -5.371 638 HH21 ARG 79 HH21 ARG 79 17.950 -4.199 -4.606 639 HH22 ARG 79 HH22 ARG 79 17.779 -5.780 -5.292 640 H GLY 80 HN GLY 80 11.068 -0.309 -1.360 641 HA2 GLY 80 HA2 GLY 80 12.515 2.254 -1.305 642 HA3 GLY 80 HA1 GLY 80 10.793 2.259 -0.976 643 H THR 81 HN THR 81 10.269 2.257 1.102 644 HA THR 81 HA THR 81 11.617 0.562 2.998 645 HB THR 81 HB THR 81 12.038 2.536 4.572 646 HG1 THR 81 HG1 THR 81 12.368 4.517 3.549 647 HG21 THR 81 HG21 THR 81 13.743 1.276 2.915 648 HG22 THR 81 HG22 THR 81 14.212 2.544 4.047 649 HG23 THR 81 HG23 THR 81 13.916 2.938 2.353 650 H TRP 82 HN TRP 82 10.717 1.088 5.291 651 HA TRP 82 HA TRP 82 8.038 2.175 5.344 652 HB2 TRP 82 HB2 TRP 82 7.942 -0.283 4.481 653 HB3 TRP 82 HB1 TRP 82 8.318 -0.718 6.144 654 HD1 TRP 82 HD1 TRP 82 5.564 0.979 4.062 655 HE1 TRP 82 HE1 TRP 82 3.360 0.859 5.380 656 HE3 TRP 82 HE3 TRP 82 7.342 -0.978 8.436 657 HZ2 TRP 82 HZ2 TRP 82 2.488 0.039 7.933 658 HZ3 TRP 82 HZ3 TRP 82 5.755 -1.403 10.267 659 HH2 TRP 82 HH2 TRP 82 3.378 -0.903 10.020 660 H SER 83 HN SER 83 7.784 3.105 7.303 661 HA SER 83 HA SER 83 9.072 1.909 9.635 662 HB2 SER 83 HB2 SER 83 10.305 3.995 8.323 663 HB3 SER 83 HB1 SER 83 9.404 4.819 9.596 664 HG SER 83 HG SER 83 10.945 4.198 10.867 665 H LEU 84 HN LEU 84 8.162 2.491 11.623 666 HA LEU 84 HA LEU 84 5.484 3.661 11.388 667 HB2 LEU 84 HB2 LEU 84 6.440 1.374 12.686 668 HB3 LEU 84 HB1 LEU 84 6.078 2.508 13.971 669 HG LEU 84 HG LEU 84 3.918 2.473 12.069 670 HD11 LEU 84 HD11 LEU 84 3.174 0.235 12.204 671 HD12 LEU 84 HD12 LEU 84 4.445 -0.196 13.348 672 HD13 LEU 84 HD13 LEU 84 4.854 0.166 11.670 673 HD21 LEU 84 HD21 LEU 84 2.844 1.511 14.300 674 HD22 LEU 84 HD22 LEU 84 3.274 3.211 14.118 675 HD23 LEU 84 HD23 LEU 84 4.355 2.115 14.978 676 H GLU 85 HN GLU 85 4.958 5.514 12.352 677 HA GLU 85 HA GLU 85 6.907 6.711 14.209 678 HB2 GLU 85 HB2 GLU 85 5.410 7.949 11.914 679 HB3 GLU 85 HB1 GLU 85 6.005 8.935 13.243 680 HG2 GLU 85 HG2 GLU 85 8.057 7.171 12.233 681 HG3 GLU 85 HG1 GLU 85 7.389 8.191 10.960 682 H GLY 86 HN GLY 86 5.878 6.275 16.112 683 HA2 GLY 86 HA2 GLY 86 4.391 6.625 17.828 684 HA3 GLY 86 HA1 GLY 86 3.722 7.941 16.876 685 H ASN 87 HN ASN 87 1.734 7.703 16.071 686 HA ASN 87 HA ASN 87 0.517 5.034 16.253 687 HB2 ASN 87 HB2 ASN 87 -0.357 7.305 17.414 688 HB3 ASN 87 HB1 ASN 87 -1.210 7.414 15.877 689 HD21 ASN 87 HD21 ASN 87 -0.404 4.856 18.207 690 HD22 ASN 87 HD22 ASN 87 -2.000 4.200 18.293 691 H LYS 88 HN LYS 88 2.128 6.286 13.993 692 HA LYS 88 HA LYS 88 0.209 5.618 11.883 693 HB2 LYS 88 HB2 LYS 88 2.076 7.989 11.735 694 HB3 LYS 88 HB1 LYS 88 0.923 7.484 10.508 695 HG2 LYS 88 HG2 LYS 88 -0.274 9.150 11.477 696 HG3 LYS 88 HG1 LYS 88 -0.787 7.806 12.499 697 HD2 LYS 88 HD2 LYS 88 -0.241 9.526 14.000 698 HD3 LYS 88 HD1 LYS 88 1.156 8.449 14.025 699 HE2 LYS 88 HE2 LYS 88 2.148 9.982 12.240 700 HE3 LYS 88 HE1 LYS 88 0.872 11.118 12.675 701 HZ1 LYS 88 HZ1 LYS 88 1.774 10.690 15.065 702 HZ2 LYS 88 HZ2 LYS 88 2.558 11.787 14.045 703 HZ3 LYS 88 HZ3 LYS 88 3.184 10.230 14.250 704 H LEU 89 HN LEU 89 1.229 5.001 9.856 705 HA LEU 89 HA LEU 89 4.025 4.141 10.183 706 HB2 LEU 89 HB2 LEU 89 3.112 2.223 8.546 707 HB3 LEU 89 HB1 LEU 89 3.167 2.058 10.288 708 HG LEU 89 HG LEU 89 0.733 2.999 10.196 709 HD11 LEU 89 HD11 LEU 89 0.751 3.601 7.841 710 HD12 LEU 89 HD12 LEU 89 -0.459 2.357 8.157 711 HD13 LEU 89 HD13 LEU 89 1.074 1.924 7.401 712 HD21 LEU 89 HD21 LEU 89 1.802 0.287 9.750 713 HD22 LEU 89 HD22 LEU 89 0.082 0.508 9.431 714 HD23 LEU 89 HD23 LEU 89 0.743 0.897 11.019 715 H ILE 90 HN ILE 90 5.353 4.395 8.452 716 HA ILE 90 HA ILE 90 4.157 5.653 6.072 717 HB ILE 90 HB ILE 90 7.053 6.021 6.544 718 HG12 ILE 90 HG12 ILE 90 6.048 6.334 8.815 719 HG13 ILE 90 HG11 ILE 90 6.788 7.790 8.160 720 HG21 ILE 90 HG21 ILE 90 6.544 8.250 5.656 721 HG22 ILE 90 HG22 ILE 90 4.826 7.847 5.649 722 HG23 ILE 90 HG23 ILE 90 5.942 6.969 4.603 723 HD11 ILE 90 HD11 ILE 90 3.845 7.220 8.009 724 HD12 ILE 90 HD12 ILE 90 4.675 8.738 7.666 725 HD13 ILE 90 HD13 ILE 90 4.605 8.124 9.319 726 H GLY 91 HN GLY 91 4.644 4.923 4.099 727 HA2 GLY 91 HA2 GLY 91 6.526 2.670 3.874 728 HA3 GLY 91 HA1 GLY 91 4.967 2.674 3.055 729 H LYS 92 HN LYS 92 7.707 2.529 1.950 730 HA LYS 92 HA LYS 92 7.395 4.691 0.014 731 HB2 LYS 92 HB2 LYS 92 9.634 4.381 1.920 732 HB3 LYS 92 HB1 LYS 92 10.094 4.713 0.258 733 HG2 LYS 92 HG2 LYS 92 9.937 6.839 1.023 734 HG3 LYS 92 HG1 LYS 92 8.270 6.604 0.506 735 HD2 LYS 92 HD2 LYS 92 8.404 7.642 2.726 736 HD3 LYS 92 HD1 LYS 92 7.613 6.070 2.786 737 HE2 LYS 92 HE2 LYS 92 10.534 6.091 3.210 738 HE3 LYS 92 HE1 LYS 92 9.549 6.819 4.481 739 HZ1 LYS 92 HZ1 LYS 92 10.086 4.171 4.213 740 HZ2 LYS 92 HZ2 LYS 92 8.525 4.297 3.575 741 HZ3 LYS 92 HZ3 LYS 92 8.840 4.832 5.148 742 H PHE 93 HN PHE 93 8.542 4.351 -1.958 743 HA PHE 93 HA PHE 93 9.683 1.694 -2.388 744 HB2 PHE 93 HB2 PHE 93 7.359 2.812 -3.960 745 HB3 PHE 93 HB1 PHE 93 8.455 1.619 -4.605 746 HD1 PHE 93 HD1 PHE 93 8.741 -0.559 -3.262 747 HD2 PHE 93 HD2 PHE 93 5.438 2.101 -2.815 748 HE1 PHE 93 HE1 PHE 93 7.376 -2.400 -2.374 749 HE2 PHE 93 HE2 PHE 93 4.087 0.264 -1.917 750 HZ PHE 93 HZ PHE 93 5.045 -1.989 -1.705 751 H LYS 94 HN LYS 94 10.535 1.571 -4.691 752 HA LYS 94 HA LYS 94 11.204 4.037 -5.969 753 HB2 LYS 94 HB2 LYS 94 12.951 3.589 -4.044 754 HB3 LYS 94 HB1 LYS 94 13.616 2.455 -5.211 755 HG2 LYS 94 HG2 LYS 94 14.750 4.176 -6.001 756 HG3 LYS 94 HG1 LYS 94 13.222 4.691 -6.712 757 HD2 LYS 94 HD2 LYS 94 13.092 6.466 -5.366 758 HD3 LYS 94 HD1 LYS 94 13.455 5.494 -3.936 759 HE2 LYS 94 HE2 LYS 94 15.864 5.497 -4.971 760 HE3 LYS 94 HE1 LYS 94 15.285 6.969 -5.753 761 HZ1 LYS 94 HZ1 LYS 94 14.879 7.968 -3.659 762 HZ2 LYS 94 HZ2 LYS 94 16.430 7.301 -3.569 763 HZ3 LYS 94 HZ3 LYS 94 15.129 6.518 -2.824 764 H ARG 95 HN ARG 95 11.368 3.713 -8.075 765 HA ARG 95 HA ARG 95 11.048 1.053 -9.081 766 HB2 ARG 95 HB2 ARG 95 11.552 3.520 -10.731 767 HB3 ARG 95 HB1 ARG 95 10.730 2.042 -11.213 768 HG2 ARG 95 HG2 ARG 95 9.515 3.377 -8.917 769 HG3 ARG 95 HG1 ARG 95 9.510 4.329 -10.397 770 HD2 ARG 95 HD2 ARG 95 8.401 2.569 -11.590 771 HD3 ARG 95 HD1 ARG 95 8.527 1.497 -10.198 772 HE ARG 95 HE ARG 95 6.864 2.746 -9.109 773 HH11 ARG 95 HH11 ARG 95 7.499 3.920 -12.339 774 HH12 ARG 95 HH12 ARG 95 6.057 4.873 -12.402 775 HH21 ARG 95 HH21 ARG 95 4.988 4.014 -9.189 776 HH22 ARG 95 HH22 ARG 95 4.633 4.929 -10.616 777 H THR 96 HN THR 96 12.390 -0.076 -10.442 778 HA THR 96 HA THR 96 15.178 0.181 -9.891 779 HB THR 96 HB THR 96 13.650 -1.916 -10.349 780 HG1 THR 96 HG1 THR 96 15.877 -1.952 -9.773 781 HG21 THR 96 HG21 THR 96 13.477 -1.023 -12.849 782 HG22 THR 96 HG22 THR 96 13.472 -2.739 -12.440 783 HG23 THR 96 HG23 THR 96 14.959 -1.969 -12.994 784 H ASP 97 HN ASP 97 13.108 1.292 -12.419 785 HA ASP 97 HA ASP 97 14.744 1.422 -14.623 786 HB2 ASP 97 HB2 ASP 97 12.323 2.167 -14.422 787 HB3 ASP 97 HB1 ASP 97 12.938 3.691 -13.789 788 H ASN 98 HN ASN 98 14.685 3.586 -11.834 789 HA ASN 98 HA ASN 98 17.390 4.279 -12.025 790 HB2 ASN 98 HB2 ASN 98 16.127 5.548 -14.021 791 HB3 ASN 98 HB1 ASN 98 15.825 6.708 -12.730 792 HD21 ASN 98 HD21 ASN 98 17.409 8.047 -12.122 793 HD22 ASN 98 HD22 ASN 98 19.022 8.012 -12.739 794 H GLY 99 HN GLY 99 15.622 3.493 -10.016 795 HA2 GLY 99 HA2 GLY 99 14.943 3.992 -7.895 796 HA3 GLY 99 HA1 GLY 99 16.291 5.115 -7.893 797 H ASN 100 HN ASN 100 12.977 4.874 -9.189 798 HA ASN 100 HA ASN 100 12.646 7.736 -9.090 799 HB2 ASN 100 HB2 ASN 100 10.682 5.511 -9.668 800 HB3 ASN 100 HB1 ASN 100 10.296 7.220 -9.790 801 HD21 ASN 100 HD21 ASN 100 12.286 8.364 -11.035 802 HD22 ASN 100 HD22 ASN 100 12.579 7.663 -12.587 803 H GLU 101 HN GLU 101 11.489 8.912 -7.603 804 HA GLU 101 HA GLU 101 11.288 7.778 -4.993 805 HB2 GLU 101 HB2 GLU 101 10.505 10.540 -5.910 806 HB3 GLU 101 HB1 GLU 101 10.785 10.023 -4.251 807 HG2 GLU 101 HG2 GLU 101 13.103 9.668 -4.680 808 HG3 GLU 101 HG1 GLU 101 12.872 9.941 -6.403 809 H LEU 102 HN LEU 102 9.660 7.005 -3.991 810 HA LEU 102 HA LEU 102 6.916 7.706 -4.745 811 HB2 LEU 102 HB2 LEU 102 7.776 5.525 -5.803 812 HB3 LEU 102 HB1 LEU 102 7.726 4.863 -4.181 813 HG LEU 102 HG LEU 102 5.211 6.131 -4.905 814 HD11 LEU 102 HD11 LEU 102 4.818 5.333 -6.925 815 HD12 LEU 102 HD12 LEU 102 5.152 3.698 -6.361 816 HD13 LEU 102 HD13 LEU 102 6.461 4.697 -6.991 817 HD21 LEU 102 HD21 LEU 102 6.063 4.235 -3.159 818 HD22 LEU 102 HD22 LEU 102 5.312 3.253 -4.417 819 HD23 LEU 102 HD23 LEU 102 4.380 4.513 -3.608 820 H ASN 103 HN ASN 103 6.127 8.596 -2.917 821 HA ASN 103 HA ASN 103 6.955 7.476 -0.337 822 HB2 ASN 103 HB2 ASN 103 5.664 10.161 -0.821 823 HB3 ASN 103 HB1 ASN 103 6.448 9.598 0.653 824 HD21 ASN 103 HD21 ASN 103 7.052 10.339 -2.745 825 HD22 ASN 103 HD22 ASN 103 8.692 10.836 -2.528 826 H THR 104 HN THR 104 5.458 7.197 1.332 827 HA THR 104 HA THR 104 2.626 7.296 0.689 828 HB THR 104 HB THR 104 2.150 5.054 0.933 829 HG1 THR 104 HG1 THR 104 3.453 3.607 2.045 830 HG21 THR 104 HG21 THR 104 4.941 4.575 -0.002 831 HG22 THR 104 HG22 THR 104 3.792 5.451 -1.013 832 HG23 THR 104 HG23 THR 104 3.440 3.799 -0.505 833 H VAL 105 HN VAL 105 1.673 8.293 2.312 834 HA VAL 105 HA VAL 105 2.680 7.825 5.044 835 HB VAL 105 HB VAL 105 1.415 10.388 4.071 836 HG11 VAL 105 HG11 VAL 105 2.412 9.386 6.668 837 HG12 VAL 105 HG12 VAL 105 1.107 10.517 6.312 838 HG13 VAL 105 HG13 VAL 105 2.784 11.063 6.267 839 HG21 VAL 105 HG21 VAL 105 3.655 9.847 3.025 840 HG22 VAL 105 HG22 VAL 105 4.338 9.965 4.647 841 HG23 VAL 105 HG23 VAL 105 3.561 11.368 3.912 842 H ARG 106 HN ARG 106 1.229 7.108 6.481 843 HA ARG 106 HA ARG 106 -1.629 7.460 5.886 844 HB2 ARG 106 HB2 ARG 106 -0.547 4.906 7.053 845 HB3 ARG 106 HB1 ARG 106 -2.136 5.205 6.361 846 HG2 ARG 106 HG2 ARG 106 -1.269 5.250 4.158 847 HG3 ARG 106 HG1 ARG 106 0.395 5.297 4.744 848 HD2 ARG 106 HD2 ARG 106 -0.486 3.028 5.921 849 HD3 ARG 106 HD1 ARG 106 -1.448 3.020 4.444 850 HE ARG 106 HE ARG 106 1.345 3.518 3.995 851 HH11 ARG 106 HH11 ARG 106 -1.088 1.049 4.398 852 HH12 ARG 106 HH12 ARG 106 -0.187 -0.155 3.541 853 HH21 ARG 106 HH21 ARG 106 2.532 1.935 2.867 854 HH22 ARG 106 HH22 ARG 106 1.869 0.347 2.672 855 H GLU 107 HN GLU 107 -2.538 8.552 7.480 856 HA GLU 107 HA GLU 107 -1.499 8.206 10.214 857 HB2 GLU 107 HB2 GLU 107 -2.360 10.431 10.705 858 HB3 GLU 107 HB1 GLU 107 -1.275 10.492 9.324 859 HG2 GLU 107 HG2 GLU 107 -3.214 10.524 7.821 860 HG3 GLU 107 HG1 GLU 107 -4.282 10.515 9.223 861 H ILE 108 HN ILE 108 -3.046 8.174 11.959 862 HA ILE 108 HA ILE 108 -5.423 6.699 11.240 863 HB ILE 108 HB ILE 108 -4.673 7.604 14.012 864 HG12 ILE 108 HG12 ILE 108 -2.803 6.367 12.808 865 HG13 ILE 108 HG11 ILE 108 -3.353 5.655 14.320 866 HG21 ILE 108 HG21 ILE 108 -6.969 6.704 13.556 867 HG22 ILE 108 HG22 ILE 108 -6.044 5.810 14.764 868 HG23 ILE 108 HG23 ILE 108 -6.209 5.169 13.130 869 HD11 ILE 108 HD11 ILE 108 -3.062 4.372 11.895 870 HD12 ILE 108 HD12 ILE 108 -4.801 4.610 12.051 871 HD13 ILE 108 HD13 ILE 108 -3.912 3.759 13.314 872 H ILE 109 HN ILE 109 -6.702 8.242 10.173 873 HA ILE 109 HA ILE 109 -7.487 10.654 11.538 874 HB ILE 109 HB ILE 109 -7.338 10.232 8.964 875 HG12 ILE 109 HG12 ILE 109 -9.256 11.900 8.648 876 HG13 ILE 109 HG11 ILE 109 -9.493 11.782 10.388 877 HG21 ILE 109 HG21 ILE 109 -8.888 8.299 9.032 878 HG22 ILE 109 HG22 ILE 109 -9.380 9.563 7.902 879 HG23 ILE 109 HG23 ILE 109 -10.188 9.411 9.465 880 HD11 ILE 109 HD11 ILE 109 -6.728 12.268 9.769 881 HD12 ILE 109 HD12 ILE 109 -7.841 13.202 10.769 882 HD13 ILE 109 HD13 ILE 109 -7.768 13.485 9.029 883 H GLY 110 HN GLY 110 -8.957 10.669 13.130 884 HA2 GLY 110 HA2 GLY 110 -10.678 9.957 14.488 885 HA3 GLY 110 HA1 GLY 110 -11.514 9.631 12.987 886 H ASP 111 HN ASP 111 -12.301 7.695 12.957 887 HA ASP 111 HA ASP 111 -10.908 5.505 14.326 888 HB2 ASP 111 HB2 ASP 111 -13.064 4.291 14.145 889 HB3 ASP 111 HB1 ASP 111 -13.219 5.808 15.026 890 H GLU 112 HN GLU 112 -10.528 6.775 11.533 891 HA GLU 112 HA GLU 112 -10.386 4.227 10.072 892 HB2 GLU 112 HB2 GLU 112 -11.259 6.898 8.948 893 HB3 GLU 112 HB1 GLU 112 -10.971 5.448 7.999 894 HG2 GLU 112 HG2 GLU 112 -12.736 4.366 9.526 895 HG3 GLU 112 HG1 GLU 112 -13.163 6.023 9.937 896 H LEU 113 HN LEU 113 -9.001 4.700 7.973 897 HA LEU 113 HA LEU 113 -6.642 6.235 8.853 898 HB2 LEU 113 HB2 LEU 113 -6.869 3.531 7.632 899 HB3 LEU 113 HB1 LEU 113 -5.473 4.506 7.231 900 HG LEU 113 HG LEU 113 -5.287 2.834 9.171 901 HD11 LEU 113 HD11 LEU 113 -4.437 5.462 10.173 902 HD12 LEU 113 HD12 LEU 113 -3.920 5.062 8.537 903 HD13 LEU 113 HD13 LEU 113 -3.502 3.998 9.879 904 HD21 LEU 113 HD21 LEU 113 -7.481 3.743 10.165 905 HD22 LEU 113 HD22 LEU 113 -6.478 5.053 10.788 906 HD23 LEU 113 HD23 LEU 113 -6.144 3.387 11.258 907 H VAL 114 HN VAL 114 -5.889 7.741 7.547 908 HA VAL 114 HA VAL 114 -6.985 7.890 4.809 909 HB VAL 114 HB VAL 114 -7.578 9.820 6.206 910 HG11 VAL 114 HG11 VAL 114 -6.168 10.908 7.560 911 HG12 VAL 114 HG12 VAL 114 -4.890 10.953 6.345 912 HG13 VAL 114 HG13 VAL 114 -5.107 9.516 7.343 913 HG21 VAL 114 HG21 VAL 114 -6.785 11.586 4.722 914 HG22 VAL 114 HG22 VAL 114 -7.231 10.146 3.807 915 HG23 VAL 114 HG23 VAL 114 -5.531 10.512 4.101 916 H GLN 115 HN GLN 115 -5.554 7.008 3.451 917 HA GLN 115 HA GLN 115 -2.699 7.334 3.961 918 HB2 GLN 115 HB2 GLN 115 -4.076 5.634 1.878 919 HB3 GLN 115 HB1 GLN 115 -2.373 5.586 2.313 920 HG2 GLN 115 HG2 GLN 115 -3.039 3.847 3.568 921 HG3 GLN 115 HG1 GLN 115 -3.443 5.120 4.718 922 HE21 GLN 115 HE21 GLN 115 -4.649 2.710 2.573 923 HE22 GLN 115 HE22 GLN 115 -6.316 2.846 3.009 924 H THR 116 HN THR 116 -1.297 8.322 2.632 925 HA THR 116 HA THR 116 -2.306 9.572 0.171 926 HB THR 116 HB THR 116 -0.344 11.107 1.787 927 HG1 THR 116 HG1 THR 116 -1.669 10.916 3.443 928 HG21 THR 116 HG21 THR 116 -2.697 12.482 0.793 929 HG22 THR 116 HG22 THR 116 -1.799 11.642 -0.471 930 HG23 THR 116 HG23 THR 116 -0.986 12.830 0.547 931 H TYR 117 HN TYR 117 -1.137 8.761 -1.432 932 HA TYR 117 HA TYR 117 1.697 8.142 -0.931 933 HB2 TYR 117 HB2 TYR 117 -0.026 6.986 -3.125 934 HB3 TYR 117 HB1 TYR 117 1.558 6.433 -2.598 935 HD1 TYR 117 HD2 TYR 117 -1.898 6.915 -1.220 936 HD2 TYR 117 HD1 TYR 117 1.658 4.579 -1.245 937 HE1 TYR 117 HE2 TYR 117 -2.961 5.291 0.277 938 HE2 TYR 117 HE1 TYR 117 0.600 2.945 0.255 939 HH TYR 117 HH TYR 117 -2.765 3.007 0.961 940 H VAL 118 HN VAL 118 3.221 8.683 -2.566 941 HA VAL 118 HA VAL 118 2.288 10.304 -4.776 942 HB VAL 118 HB VAL 118 2.726 11.834 -2.797 943 HG11 VAL 118 HG11 VAL 118 5.084 10.394 -2.608 944 HG12 VAL 118 HG12 VAL 118 4.691 11.885 -1.755 945 HG13 VAL 118 HG13 VAL 118 5.579 11.947 -3.277 946 HG21 VAL 118 HG21 VAL 118 2.595 12.720 -5.005 947 HG22 VAL 118 HG22 VAL 118 4.225 12.168 -5.383 948 HG23 VAL 118 HG23 VAL 118 3.982 13.466 -4.213 949 H TYR 119 HN TYR 119 3.638 10.293 -6.530 950 HA TYR 119 HA TYR 119 6.329 9.297 -6.353 951 HB2 TYR 119 HB2 TYR 119 5.294 7.171 -6.419 952 HB3 TYR 119 HB1 TYR 119 4.152 7.672 -7.651 953 HD1 TYR 119 HD2 TYR 119 7.649 6.777 -7.005 954 HD2 TYR 119 HD1 TYR 119 4.735 7.622 -9.956 955 HE1 TYR 119 HE2 TYR 119 9.167 5.926 -8.725 956 HE2 TYR 119 HE1 TYR 119 6.250 6.782 -11.706 957 HH TYR 119 HH TYR 119 8.607 6.429 -12.066 958 H GLU 120 HN GLU 120 7.317 10.798 -7.476 959 HA GLU 120 HA GLU 120 7.527 12.578 -8.957 960 HB2 GLU 120 HB2 GLU 120 7.646 11.418 -11.369 961 HB3 GLU 120 HB1 GLU 120 8.916 11.268 -10.171 962 HG2 GLU 120 HG2 GLU 120 7.981 9.119 -9.457 963 HG3 GLU 120 HG1 GLU 120 6.725 9.275 -10.687 964 H GLY 121 HN GLY 121 5.664 13.829 -8.825 965 HA2 GLY 121 HA2 GLY 121 4.028 15.014 -9.969 966 HA3 GLY 121 HA1 GLY 121 4.075 13.806 -11.232 967 H VAL 122 HN VAL 122 3.359 11.512 -10.043 968 HA VAL 122 HA VAL 122 0.561 11.942 -9.618 969 HB VAL 122 HB VAL 122 2.246 9.446 -9.721 970 HG11 VAL 122 HG11 VAL 122 -0.430 8.717 -9.962 971 HG12 VAL 122 HG12 VAL 122 -0.326 9.713 -8.512 972 HG13 VAL 122 HG13 VAL 122 0.708 8.297 -8.690 973 HG21 VAL 122 HG21 VAL 122 0.580 9.156 -11.716 974 HG22 VAL 122 HG22 VAL 122 1.995 10.196 -11.879 975 HG23 VAL 122 HG23 VAL 122 0.413 10.905 -11.563 976 H GLU 123 HN GLU 123 -0.595 11.900 -7.834 977 HA GLU 123 HA GLU 123 0.550 10.892 -5.344 978 HB2 GLU 123 HB2 GLU 123 0.666 13.527 -5.733 979 HB3 GLU 123 HB1 GLU 123 -1.010 13.431 -5.207 980 HG2 GLU 123 HG2 GLU 123 -0.458 12.932 -3.082 981 HG3 GLU 123 HG1 GLU 123 0.952 11.992 -3.546 982 H ALA 124 HN ALA 124 -0.836 9.411 -4.623 983 HA ALA 124 HA ALA 124 -3.699 9.837 -5.133 984 HB1 ALA 124 HB1 ALA 124 -2.693 7.988 -6.464 985 HB2 ALA 124 HB2 ALA 124 -3.999 7.464 -5.397 986 HB3 ALA 124 HB3 ALA 124 -2.318 7.164 -4.950 987 H LYS 125 HN LYS 125 -5.115 9.616 -3.522 988 HA LYS 125 HA LYS 125 -4.019 9.040 -0.852 989 HB2 LYS 125 HB2 LYS 125 -6.186 10.851 -1.845 990 HB3 LYS 125 HB1 LYS 125 -6.320 10.188 -0.222 991 HG2 LYS 125 HG2 LYS 125 -5.294 12.284 0.022 992 HG3 LYS 125 HG1 LYS 125 -4.001 11.097 0.200 993 HD2 LYS 125 HD2 LYS 125 -3.292 12.964 -1.204 994 HD3 LYS 125 HD1 LYS 125 -3.344 11.461 -2.128 995 HE2 LYS 125 HE2 LYS 125 -4.305 13.516 -3.258 996 HE3 LYS 125 HE1 LYS 125 -5.334 12.084 -3.223 997 HZ1 LYS 125 HZ1 LYS 125 -6.783 13.046 -1.787 998 HZ2 LYS 125 HZ2 LYS 125 -6.226 14.451 -2.545 999 HZ3 LYS 125 HZ3 LYS 125 -5.608 14.004 -1.036 1000 H ARG 126 HN ARG 126 -5.637 7.966 0.658 1001 HA ARG 126 HA ARG 126 -7.666 6.387 -0.668 1002 HB2 ARG 126 HB2 ARG 126 -5.672 5.084 -1.127 1003 HB3 ARG 126 HB1 ARG 126 -5.238 5.092 0.571 1004 HG2 ARG 126 HG2 ARG 126 -6.598 3.387 1.047 1005 HG3 ARG 126 HG1 ARG 126 -7.910 4.035 0.062 1006 HD2 ARG 126 HD2 ARG 126 -7.473 2.288 -1.275 1007 HD3 ARG 126 HD1 ARG 126 -6.136 3.280 -1.850 1008 HE ARG 126 HE ARG 126 -5.974 0.959 -0.106 1009 HH11 ARG 126 HH11 ARG 126 -4.322 3.674 -1.557 1010 HH12 ARG 126 HH12 ARG 126 -2.747 2.999 -1.316 1011 HH21 ARG 126 HH21 ARG 126 -3.901 0.080 0.216 1012 HH22 ARG 126 HH22 ARG 126 -2.507 0.964 -0.306 1013 H ILE 127 HN ILE 127 -9.356 6.380 0.614 1014 HA ILE 127 HA ILE 127 -9.088 6.820 3.469 1015 HB ILE 127 HB ILE 127 -11.598 6.320 1.859 1016 HG12 ILE 127 HG12 ILE 127 -11.927 8.814 2.167 1017 HG13 ILE 127 HG11 ILE 127 -10.244 8.894 2.677 1018 HG21 ILE 127 HG21 ILE 127 -11.823 7.838 4.335 1019 HG22 ILE 127 HG22 ILE 127 -11.247 6.189 4.581 1020 HG23 ILE 127 HG23 ILE 127 -12.777 6.475 3.750 1021 HD11 ILE 127 HD11 ILE 127 -10.990 9.354 0.189 1022 HD12 ILE 127 HD12 ILE 127 -10.840 7.600 0.080 1023 HD13 ILE 127 HD13 ILE 127 -9.455 8.574 0.574 1024 H PHE 128 HN PHE 128 -9.223 5.244 4.979 1025 HA PHE 128 HA PHE 128 -9.752 2.529 3.984 1026 HB2 PHE 128 HB2 PHE 128 -7.497 2.616 4.640 1027 HB3 PHE 128 HB1 PHE 128 -7.866 3.559 6.082 1028 HD1 PHE 128 HD1 PHE 128 -8.256 0.235 4.531 1029 HD2 PHE 128 HD2 PHE 128 -8.321 2.500 8.129 1030 HE1 PHE 128 HE1 PHE 128 -8.425 -1.814 5.817 1031 HE2 PHE 128 HE2 PHE 128 -8.467 0.417 9.428 1032 HZ PHE 128 HZ PHE 128 -8.531 -1.746 8.273 1033 H LYS 129 HN LYS 129 -10.734 1.012 5.325 1034 HA LYS 129 HA LYS 129 -12.112 1.930 7.723 1035 HB2 LYS 129 HB2 LYS 129 -13.550 0.652 5.388 1036 HB3 LYS 129 HB1 LYS 129 -14.257 0.963 6.965 1037 HG2 LYS 129 HG2 LYS 129 -13.766 3.398 6.591 1038 HG3 LYS 129 HG1 LYS 129 -13.353 2.978 4.928 1039 HD2 LYS 129 HD2 LYS 129 -15.618 1.987 4.676 1040 HD3 LYS 129 HD1 LYS 129 -16.011 2.567 6.295 1041 HE2 LYS 129 HE2 LYS 129 -15.800 4.834 5.628 1042 HE3 LYS 129 HE1 LYS 129 -15.064 4.383 4.091 1043 HZ1 LYS 129 HZ1 LYS 129 -17.882 4.223 4.916 1044 HZ2 LYS 129 HZ2 LYS 129 -17.303 3.161 3.734 1045 HZ3 LYS 129 HZ3 LYS 129 -17.217 4.831 3.484 1046 H LYS 130 HN LYS 130 -13.038 0.031 8.928 1047 HA LYS 130 HA LYS 130 -11.328 -2.312 8.441 1048 HB2 LYS 130 HB2 LYS 130 -11.780 -2.845 10.858 1049 HB3 LYS 130 HB1 LYS 130 -10.826 -1.399 10.561 1050 HG2 LYS 130 HG2 LYS 130 -12.828 -0.022 10.902 1051 HG3 LYS 130 HG1 LYS 130 -13.760 -1.482 11.238 1052 HD2 LYS 130 HD2 LYS 130 -11.275 -0.999 12.804 1053 HD3 LYS 130 HD1 LYS 130 -12.703 -0.033 13.182 1054 HE2 LYS 130 HE2 LYS 130 -13.860 -1.811 13.995 1055 HE3 LYS 130 HE1 LYS 130 -13.100 -2.951 12.885 1056 HZ1 LYS 130 HZ1 LYS 130 -11.610 -1.729 15.129 1057 HZ2 LYS 130 HZ2 LYS 130 -11.215 -3.110 14.236 1058 HZ3 LYS 130 HZ3 LYS 130 -12.509 -3.149 15.324 1059 H ASP 131 HN ASP 131 -12.136 -4.405 8.694 1060 HA ASP 131 HA ASP 131 -14.728 -4.804 7.625 1061 HB2 ASP 131 HB2 ASP 131 -12.545 -6.299 7.587 1062 HB3 ASP 131 HB1 ASP 131 -13.280 -7.016 9.017 1063 H2 KTR 201 H6 KET 1 -1.801 1.297 -4.827 1064 H3 KTR 201 H31 KET 1 2.271 -0.962 -2.459 1065 H4 KTR 201 H32 KET 1 2.845 0.080 -3.770 1066 H5 KTR 201 H21 KET 1 1.429 0.782 -1.276 1067 H6 KTR 201 H22 KET 1 2.698 1.666 -2.154 1068 H7 KTR 201 H1 KET 1 0.117 2.411 -2.435 1069 H8 KTR 201 H11 KET 1 -0.167 -4.935 -6.140 1070 H9 KTR 201 H13 KET 1 0.413 -5.621 -8.442 1071 H10 KTR 201 H15 KET 1 1.894 -4.196 -9.813 1072 H11 KTR 201 H14 KET 1 2.792 -2.092 -8.879 1073 H12 KTR 201 H12 KET 1 2.215 -1.417 -6.579 1074 H13 KTR 201 H7 KET 1 -1.706 -1.253 -5.642 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -2.117 -0.424 17.748 2 H2 ALA 1 HT2 ALA 1 -3.356 -0.029 18.869 3 H3 ALA 1 HT3 ALA 1 -3.329 0.709 17.320 4 HA ALA 1 HA ALA 1 -3.622 -2.179 17.771 5 HB1 ALA 1 HB1 ALA 1 -5.549 -1.284 18.749 6 HB2 ALA 1 HB2 ALA 1 -6.037 -1.674 17.100 7 HB3 ALA 1 HB3 ALA 1 -5.677 -0.005 17.542 8 H PHE 2 HN PHE 2 -1.865 -1.779 15.986 9 HA PHE 2 HA PHE 2 -3.032 -1.130 13.404 10 HB2 PHE 2 HB2 PHE 2 -0.294 -1.452 14.477 11 HB3 PHE 2 HB1 PHE 2 -0.521 -1.936 12.800 12 HD1 PHE 2 HD2 PHE 2 -2.278 -0.086 11.628 13 HD2 PHE 2 HD1 PHE 2 0.654 0.628 14.627 14 HE1 PHE 2 HE2 PHE 2 -2.146 2.270 10.928 15 HE2 PHE 2 HE1 PHE 2 0.794 2.985 13.934 16 HZ PHE 2 HZ PHE 2 -0.606 3.807 12.082 17 H ASP 3 HN ASP 3 -1.290 -3.895 14.838 18 HA ASP 3 HA ASP 3 -1.575 -5.713 12.781 19 HB2 ASP 3 HB2 ASP 3 -0.227 -6.130 14.798 20 HB3 ASP 3 HB1 ASP 3 -1.697 -6.280 15.754 21 H SER 4 HN SER 4 -3.435 -6.051 11.704 22 HA SER 4 HA SER 4 -5.537 -7.532 12.773 23 HB2 SER 4 HB2 SER 4 -5.718 -4.936 13.683 24 HB3 SER 4 HB1 SER 4 -6.772 -4.919 12.273 25 HG SER 4 HG SER 4 -7.646 -6.956 13.281 26 H THR 5 HN THR 5 -7.659 -7.098 11.319 27 HA THR 5 HA THR 5 -6.728 -7.347 8.568 28 HB THR 5 HB THR 5 -9.467 -7.754 9.799 29 HG1 THR 5 HG1 THR 5 -8.635 -9.594 10.319 30 HG21 THR 5 HG21 THR 5 -10.351 -7.968 7.791 31 HG22 THR 5 HG22 THR 5 -9.109 -9.134 7.331 32 HG23 THR 5 HG23 THR 5 -8.832 -7.409 7.089 33 H TRP 6 HN TRP 6 -6.796 -5.669 7.179 34 HA TRP 6 HA TRP 6 -8.572 -3.430 7.881 35 HB2 TRP 6 HB2 TRP 6 -5.856 -3.376 6.589 36 HB3 TRP 6 HB1 TRP 6 -6.883 -1.991 6.673 37 HD1 TRP 6 HD1 TRP 6 -6.239 -4.488 9.533 38 HE1 TRP 6 HE1 TRP 6 -5.242 -3.200 11.519 39 HE3 TRP 6 HE3 TRP 6 -5.707 0.079 7.325 40 HZ2 TRP 6 HZ2 TRP 6 -4.345 -0.591 12.076 41 HZ3 TRP 6 HZ3 TRP 6 -4.768 1.925 8.657 42 HH2 TRP 6 HH2 TRP 6 -4.096 1.596 10.981 43 H LYS 7 HN LYS 7 -10.049 -2.868 6.518 44 HA LYS 7 HA LYS 7 -9.832 -3.707 3.701 45 HB2 LYS 7 HB2 LYS 7 -12.229 -4.033 3.625 46 HB3 LYS 7 HB1 LYS 7 -11.561 -5.000 4.933 47 HG2 LYS 7 HG2 LYS 7 -12.197 -3.065 6.465 48 HG3 LYS 7 HG1 LYS 7 -13.157 -2.468 5.110 49 HD2 LYS 7 HD2 LYS 7 -14.072 -4.938 5.105 50 HD3 LYS 7 HD1 LYS 7 -13.536 -4.903 6.786 51 HE2 LYS 7 HE2 LYS 7 -14.930 -2.996 7.243 52 HE3 LYS 7 HE1 LYS 7 -15.366 -2.857 5.541 53 HZ1 LYS 7 HZ1 LYS 7 -15.923 -5.419 6.793 54 HZ2 LYS 7 HZ2 LYS 7 -16.849 -4.526 5.695 55 HZ3 LYS 7 HZ3 LYS 7 -16.859 -4.118 7.337 56 H VAL 8 HN VAL 8 -9.563 -2.062 2.444 57 HA VAL 8 HA VAL 8 -9.870 0.607 3.240 58 HB VAL 8 HB VAL 8 -8.351 -0.326 1.435 59 HG11 VAL 8 HG11 VAL 8 -9.987 -1.557 0.133 60 HG12 VAL 8 HG12 VAL 8 -9.266 -0.293 -0.863 61 HG13 VAL 8 HG13 VAL 8 -10.885 -0.076 -0.200 62 HG21 VAL 8 HG21 VAL 8 -9.990 2.117 0.779 63 HG22 VAL 8 HG22 VAL 8 -8.364 1.760 0.198 64 HG23 VAL 8 HG23 VAL 8 -8.644 2.055 1.914 65 H ASP 9 HN ASP 9 -11.416 2.132 2.891 66 HA ASP 9 HA ASP 9 -14.055 1.143 2.152 67 HB2 ASP 9 HB2 ASP 9 -14.460 2.409 3.992 68 HB3 ASP 9 HB1 ASP 9 -13.004 3.369 3.779 69 H ARG 10 HN ARG 10 -11.922 3.868 1.297 70 HA ARG 10 HA ARG 10 -12.897 3.713 -1.443 71 HB2 ARG 10 HB2 ARG 10 -13.042 6.304 -1.404 72 HB3 ARG 10 HB1 ARG 10 -14.397 5.361 -0.804 73 HG2 ARG 10 HG2 ARG 10 -13.029 5.686 1.480 74 HG3 ARG 10 HG1 ARG 10 -12.545 7.148 0.621 75 HD2 ARG 10 HD2 ARG 10 -14.940 7.636 0.209 76 HD3 ARG 10 HD1 ARG 10 -15.358 6.243 1.204 77 HE ARG 10 HE ARG 10 -13.759 7.737 2.815 78 HH11 ARG 10 HH11 ARG 10 -16.663 8.398 0.995 79 HH12 ARG 10 HH12 ARG 10 -17.228 9.607 2.097 80 HH21 ARG 10 HH21 ARG 10 -14.502 9.328 4.266 81 HH22 ARG 10 HH22 ARG 10 -16.002 10.136 3.954 82 H SER 11 HN SER 11 -11.647 5.356 -2.839 83 HA SER 11 HA SER 11 -8.948 5.832 -1.835 84 HB2 SER 11 HB2 SER 11 -7.964 4.779 -3.881 85 HB3 SER 11 HB1 SER 11 -8.753 3.628 -2.804 86 HG SER 11 HG SER 11 -9.598 4.597 -5.304 87 H GLU 12 HN GLU 12 -7.627 7.077 -3.435 88 HA GLU 12 HA GLU 12 -9.180 8.652 -5.336 89 HB2 GLU 12 HB2 GLU 12 -7.990 9.685 -2.812 90 HB3 GLU 12 HB1 GLU 12 -7.833 10.688 -4.247 91 HG2 GLU 12 HG2 GLU 12 -10.526 9.635 -3.796 92 HG3 GLU 12 HG1 GLU 12 -9.940 10.722 -2.538 93 H ASN 13 HN ASN 13 -8.051 8.913 -7.154 94 HA ASN 13 HA ASN 13 -6.357 8.960 -8.652 95 HB2 ASN 13 HB2 ASN 13 -5.297 10.253 -6.250 96 HB3 ASN 13 HB1 ASN 13 -4.063 9.591 -7.305 97 HD21 ASN 13 HD21 ASN 13 -4.244 12.284 -6.867 98 HD22 ASN 13 HD22 ASN 13 -4.762 13.073 -8.314 99 H TYR 14 HN TYR 14 -6.832 6.570 -6.709 100 HA TYR 14 HA TYR 14 -4.410 5.249 -6.335 101 HB2 TYR 14 HB2 TYR 14 -6.901 4.644 -5.624 102 HB3 TYR 14 HB1 TYR 14 -6.813 3.641 -7.069 103 HD1 TYR 14 HD1 TYR 14 -4.135 2.625 -7.086 104 HD2 TYR 14 HD2 TYR 14 -6.707 3.264 -3.765 105 HE1 TYR 14 HE1 TYR 14 -2.931 0.892 -5.833 106 HE2 TYR 14 HE2 TYR 14 -5.504 1.536 -2.495 107 HH TYR 14 HH TYR 14 -3.438 -0.668 -3.890 108 H ASP 15 HN ASP 15 -6.611 5.317 -9.100 109 HA ASP 15 HA ASP 15 -5.295 3.471 -10.743 110 HB2 ASP 15 HB2 ASP 15 -6.885 5.953 -11.431 111 HB3 ASP 15 HB1 ASP 15 -6.326 4.794 -12.634 112 H LYS 16 HN LYS 16 -4.667 6.804 -9.965 113 HA LYS 16 HA LYS 16 -2.897 7.596 -11.927 114 HB2 LYS 16 HB2 LYS 16 -3.842 8.731 -9.696 115 HB3 LYS 16 HB1 LYS 16 -2.252 8.281 -9.104 116 HG2 LYS 16 HG2 LYS 16 -1.495 10.168 -9.959 117 HG3 LYS 16 HG1 LYS 16 -1.782 9.492 -11.558 118 HD2 LYS 16 HD2 LYS 16 -4.226 10.312 -11.142 119 HD3 LYS 16 HD1 LYS 16 -3.458 11.361 -9.948 120 HE2 LYS 16 HE2 LYS 16 -2.173 11.290 -12.599 121 HE3 LYS 16 HE1 LYS 16 -3.783 12.008 -12.555 122 HZ1 LYS 16 HZ1 LYS 16 -1.293 12.953 -11.371 123 HZ2 LYS 16 HZ2 LYS 16 -2.702 13.213 -10.473 124 HZ3 LYS 16 HZ3 LYS 16 -2.575 13.831 -12.042 125 H PHE 17 HN PHE 17 -2.352 5.613 -9.092 126 HA PHE 17 HA PHE 17 0.484 5.449 -9.525 127 HB2 PHE 17 HB2 PHE 17 -1.406 4.044 -7.645 128 HB3 PHE 17 HB1 PHE 17 0.310 3.636 -7.730 129 HD1 PHE 17 HD1 PHE 17 -1.360 6.914 -8.056 130 HD2 PHE 17 HD2 PHE 17 1.227 4.442 -5.713 131 HE1 PHE 17 HE1 PHE 17 -0.823 8.843 -6.665 132 HE2 PHE 17 HE2 PHE 17 1.770 6.390 -4.307 133 HZ PHE 17 HZ PHE 17 0.748 8.585 -4.778 134 H MET 18 HN MET 18 -2.278 3.712 -10.633 135 HA MET 18 HA MET 18 -0.851 1.336 -11.327 136 HB2 MET 18 HB2 MET 18 -3.487 2.280 -12.441 137 HB3 MET 18 HB1 MET 18 -2.866 0.636 -12.428 138 HG2 MET 18 HG2 MET 18 -3.849 2.261 -10.108 139 HG3 MET 18 HG1 MET 18 -4.499 0.757 -10.737 140 HE1 MET 18 HE1 MET 18 -0.744 1.745 -8.710 141 HE2 MET 18 HE2 MET 18 -1.919 1.555 -7.409 142 HE3 MET 18 HE3 MET 18 -2.251 2.657 -8.743 143 H GLU 19 HN GLU 19 -1.476 4.415 -12.851 144 HA GLU 19 HA GLU 19 -0.658 3.448 -15.461 145 HB2 GLU 19 HB2 GLU 19 -1.164 6.304 -14.637 146 HB3 GLU 19 HB1 GLU 19 -1.150 5.649 -16.268 147 HG2 GLU 19 HG2 GLU 19 -3.159 5.017 -14.119 148 HG3 GLU 19 HG1 GLU 19 -3.415 6.064 -15.513 149 H LYS 20 HN LYS 20 0.560 6.069 -13.326 150 HA LYS 20 HA LYS 20 2.921 6.510 -14.732 151 HB2 LYS 20 HB2 LYS 20 1.900 7.976 -12.977 152 HB3 LYS 20 HB1 LYS 20 2.564 6.882 -11.770 153 HG2 LYS 20 HG2 LYS 20 4.380 8.134 -11.807 154 HG3 LYS 20 HG1 LYS 20 4.721 7.456 -13.391 155 HD2 LYS 20 HD2 LYS 20 3.176 9.359 -14.253 156 HD3 LYS 20 HD1 LYS 20 3.501 10.103 -12.682 157 HE2 LYS 20 HE2 LYS 20 5.163 10.988 -14.023 158 HE3 LYS 20 HE1 LYS 20 5.975 9.642 -13.233 159 HZ1 LYS 20 HZ1 LYS 20 4.838 9.628 -15.977 160 HZ2 LYS 20 HZ2 LYS 20 5.567 8.303 -15.219 161 HZ3 LYS 20 HZ3 LYS 20 6.482 9.679 -15.579 162 H MET 21 HN MET 21 2.357 4.423 -11.902 163 HA MET 21 HA MET 21 5.070 3.523 -11.827 164 HB2 MET 21 HB2 MET 21 2.716 2.120 -10.575 165 HB3 MET 21 HB1 MET 21 4.397 2.077 -10.067 166 HG2 MET 21 HG2 MET 21 4.186 4.543 -9.583 167 HG3 MET 21 HG1 MET 21 2.450 4.348 -9.816 168 HE1 MET 21 HE1 MET 21 1.277 2.103 -8.558 169 HE2 MET 21 HE2 MET 21 1.912 1.446 -7.050 170 HE3 MET 21 HE3 MET 21 2.723 1.094 -8.576 171 H GLY 22 HN GLY 22 2.109 2.391 -13.335 172 HA2 GLY 22 HA2 GLY 22 2.073 1.006 -15.243 173 HA3 GLY 22 HA1 GLY 22 3.698 0.461 -14.852 174 H VAL 23 HN VAL 23 0.751 0.542 -12.884 175 HA VAL 23 HA VAL 23 1.209 -2.219 -12.095 176 HB VAL 23 HB VAL 23 -1.072 -0.444 -11.251 177 HG11 VAL 23 HG11 VAL 23 -0.049 -3.076 -10.433 178 HG12 VAL 23 HG12 VAL 23 -1.682 -2.416 -10.356 179 HG13 VAL 23 HG13 VAL 23 -0.499 -1.985 -9.120 180 HG21 VAL 23 HG21 VAL 23 0.977 0.755 -10.789 181 HG22 VAL 23 HG22 VAL 23 1.671 -0.673 -10.022 182 HG23 VAL 23 HG23 VAL 23 0.296 0.145 -9.281 183 H ASN 24 HN ASN 24 0.490 -3.764 -13.413 184 HA ASN 24 HA ASN 24 -1.252 -3.558 -15.498 185 HB2 ASN 24 HB2 ASN 24 -1.717 -6.117 -14.751 186 HB3 ASN 24 HB1 ASN 24 -0.295 -5.597 -15.634 187 HD21 ASN 24 HD21 ASN 24 -1.354 -5.522 -12.244 188 HD22 ASN 24 HD22 ASN 24 0.082 -6.235 -11.603 189 H ILE 25 HN ILE 25 -3.294 -3.046 -15.648 190 HA ILE 25 HA ILE 25 -5.081 -2.473 -13.697 191 HB ILE 25 HB ILE 25 -5.444 -2.015 -16.094 192 HG12 ILE 25 HG12 ILE 25 -7.919 -3.468 -15.457 193 HG13 ILE 25 HG11 ILE 25 -7.328 -2.447 -14.150 194 HG21 ILE 25 HG21 ILE 25 -6.530 -4.786 -16.411 195 HG22 ILE 25 HG22 ILE 25 -4.828 -4.440 -16.717 196 HG23 ILE 25 HG23 ILE 25 -6.077 -3.616 -17.650 197 HD11 ILE 25 HD11 ILE 25 -7.111 -0.765 -16.258 198 HD12 ILE 25 HD12 ILE 25 -8.508 -0.858 -15.185 199 HD13 ILE 25 HD13 ILE 25 -8.517 -1.722 -16.723 200 H VAL 26 HN VAL 26 -4.495 -5.661 -15.107 201 HA VAL 26 HA VAL 26 -6.579 -7.134 -14.103 202 HB VAL 26 HB VAL 26 -3.715 -8.091 -14.085 203 HG11 VAL 26 HG11 VAL 26 -5.128 -10.207 -14.863 204 HG12 VAL 26 HG12 VAL 26 -6.372 -9.392 -13.915 205 HG13 VAL 26 HG13 VAL 26 -4.840 -9.837 -13.163 206 HG21 VAL 26 HG21 VAL 26 -5.563 -7.491 -16.322 207 HG22 VAL 26 HG22 VAL 26 -4.617 -8.975 -16.434 208 HG23 VAL 26 HG23 VAL 26 -3.802 -7.421 -16.255 209 H LYS 27 HN LYS 27 -3.490 -6.491 -12.449 210 HA LYS 27 HA LYS 27 -4.460 -7.591 -9.966 211 HB2 LYS 27 HB2 LYS 27 -1.960 -5.951 -10.391 212 HB3 LYS 27 HB1 LYS 27 -2.294 -7.074 -9.080 213 HG2 LYS 27 HG2 LYS 27 -1.844 -7.767 -11.974 214 HG3 LYS 27 HG1 LYS 27 -0.748 -8.072 -10.625 215 HD2 LYS 27 HD2 LYS 27 -3.149 -9.234 -9.843 216 HD3 LYS 27 HD1 LYS 27 -3.015 -9.619 -11.560 217 HE2 LYS 27 HE2 LYS 27 -1.990 -11.302 -10.006 218 HE3 LYS 27 HE1 LYS 27 -0.907 -10.669 -11.245 219 HZ1 LYS 27 HZ1 LYS 27 -0.329 -10.782 -8.626 220 HZ2 LYS 27 HZ2 LYS 27 -0.882 -9.190 -8.764 221 HZ3 LYS 27 HZ3 LYS 27 0.407 -9.723 -9.721 222 H ARG 28 HN ARG 28 -4.148 -4.467 -11.465 223 HA ARG 28 HA ARG 28 -4.422 -2.849 -9.180 224 HB2 ARG 28 HB2 ARG 28 -3.994 -1.297 -10.736 225 HB3 ARG 28 HB1 ARG 28 -4.202 -2.500 -11.989 226 HG2 ARG 28 HG2 ARG 28 -5.562 -0.555 -12.415 227 HG3 ARG 28 HG1 ARG 28 -6.581 -1.964 -12.113 228 HD2 ARG 28 HD2 ARG 28 -6.153 -0.752 -9.616 229 HD3 ARG 28 HD1 ARG 28 -6.496 0.555 -10.736 230 HE ARG 28 HE ARG 28 -8.308 -1.535 -9.892 231 HH11 ARG 28 HH11 ARG 28 -7.663 0.996 -12.210 232 HH12 ARG 28 HH12 ARG 28 -9.323 1.166 -12.671 233 HH21 ARG 28 HH21 ARG 28 -10.489 -1.312 -10.501 234 HH22 ARG 28 HH22 ARG 28 -10.927 -0.144 -11.703 235 H LYS 29 HN LYS 29 -6.756 -4.525 -11.180 236 HA LYS 29 HA LYS 29 -9.127 -3.327 -10.584 237 HB2 LYS 29 HB2 LYS 29 -8.269 -6.036 -11.287 238 HB3 LYS 29 HB1 LYS 29 -9.786 -5.992 -10.399 239 HG2 LYS 29 HG2 LYS 29 -10.580 -5.812 -12.509 240 HG3 LYS 29 HG1 LYS 29 -10.348 -4.102 -12.154 241 HD2 LYS 29 HD2 LYS 29 -8.457 -3.955 -13.479 242 HD3 LYS 29 HD1 LYS 29 -8.130 -5.687 -13.380 243 HE2 LYS 29 HE2 LYS 29 -8.898 -5.259 -15.584 244 HE3 LYS 29 HE1 LYS 29 -10.220 -6.052 -14.728 245 HZ1 LYS 29 HZ1 LYS 29 -10.859 -3.551 -14.253 246 HZ2 LYS 29 HZ2 LYS 29 -11.351 -4.344 -15.664 247 HZ3 LYS 29 HZ3 LYS 29 -10.016 -3.306 -15.700 248 H LEU 30 HN LEU 30 -7.367 -5.643 -8.542 249 HA LEU 30 HA LEU 30 -9.353 -5.335 -6.432 250 HB2 LEU 30 HB2 LEU 30 -6.849 -6.932 -6.115 251 HB3 LEU 30 HB1 LEU 30 -8.436 -7.207 -5.424 252 HG LEU 30 HG LEU 30 -7.952 -7.521 -8.373 253 HD11 LEU 30 HD11 LEU 30 -7.985 -9.971 -6.775 254 HD12 LEU 30 HD12 LEU 30 -6.547 -8.975 -6.548 255 HD13 LEU 30 HD13 LEU 30 -6.990 -9.529 -8.163 256 HD21 LEU 30 HD21 LEU 30 -9.855 -9.202 -6.885 257 HD22 LEU 30 HD22 LEU 30 -10.022 -8.406 -8.450 258 HD23 LEU 30 HD23 LEU 30 -10.251 -7.486 -6.963 259 H ALA 31 HN ALA 31 -6.446 -3.906 -7.397 260 HA ALA 31 HA ALA 31 -5.649 -3.158 -4.701 261 HB1 ALA 31 HB1 ALA 31 -4.319 -2.219 -7.217 262 HB2 ALA 31 HB2 ALA 31 -4.040 -3.838 -6.576 263 HB3 ALA 31 HB3 ALA 31 -3.631 -2.423 -5.606 264 H ALA 32 HN ALA 32 -7.409 -1.836 -7.388 265 HA ALA 32 HA ALA 32 -6.984 0.883 -7.052 266 HB1 ALA 32 HB1 ALA 32 -8.299 0.714 -8.840 267 HB2 ALA 32 HB2 ALA 32 -9.644 0.770 -7.702 268 HB3 ALA 32 HB3 ALA 32 -9.034 -0.784 -8.271 269 H HIS 33 HN HIS 33 -9.440 -1.140 -5.399 270 HA HIS 33 HA HIS 33 -9.314 -0.037 -2.927 271 HB2 HIS 33 HB2 HIS 33 -9.989 2.095 -3.066 272 HB3 HIS 33 HB1 HIS 33 -10.407 1.902 -4.762 273 HD1 HIS 33 HD1 HIS 33 -12.770 2.395 -5.238 274 HD2 HIS 33 HD2 HIS 33 -12.252 0.983 -1.365 275 HE1 HIS 33 HE1 HIS 33 -15.057 2.441 -4.195 276 HE2 HIS 33 HE2 HIS 33 -14.705 1.662 -1.826 277 H ASP 34 HN ASP 34 -11.856 -0.640 -5.329 278 HA ASP 34 HA ASP 34 -13.881 -1.510 -3.722 279 HB2 ASP 34 HB2 ASP 34 -13.053 -2.184 -6.508 280 HB3 ASP 34 HB1 ASP 34 -14.331 -3.140 -5.764 281 H ASN 35 HN ASN 35 -11.481 -3.670 -5.243 282 HA ASN 35 HA ASN 35 -12.140 -5.646 -3.204 283 HB2 ASN 35 HB2 ASN 35 -11.235 -5.856 -6.029 284 HB3 ASN 35 HB1 ASN 35 -10.732 -7.121 -4.913 285 HD21 ASN 35 HD21 ASN 35 -13.089 -6.151 -7.018 286 HD22 ASN 35 HD22 ASN 35 -14.375 -7.175 -6.487 287 H LEU 36 HN LEU 36 -10.561 -3.636 -2.311 288 HA LEU 36 HA LEU 36 -7.851 -4.783 -2.301 289 HB2 LEU 36 HB2 LEU 36 -8.341 -2.353 -3.082 290 HB3 LEU 36 HB1 LEU 36 -8.489 -2.012 -1.370 291 HG LEU 36 HG LEU 36 -6.039 -3.092 -2.761 292 HD11 LEU 36 HD11 LEU 36 -5.240 -1.004 -2.840 293 HD12 LEU 36 HD12 LEU 36 -5.913 -0.576 -1.268 294 HD13 LEU 36 HD13 LEU 36 -6.931 -0.524 -2.708 295 HD21 LEU 36 HD21 LEU 36 -5.086 -2.478 -0.400 296 HD22 LEU 36 HD22 LEU 36 -5.838 -4.048 -0.684 297 HD23 LEU 36 HD23 LEU 36 -6.748 -2.766 0.115 298 H LYS 37 HN LYS 37 -7.345 -5.879 -0.558 299 HA LYS 37 HA LYS 37 -8.463 -5.044 2.042 300 HB2 LYS 37 HB2 LYS 37 -8.995 -7.426 0.868 301 HB3 LYS 37 HB1 LYS 37 -7.522 -7.837 1.734 302 HG2 LYS 37 HG2 LYS 37 -9.889 -6.532 3.048 303 HG3 LYS 37 HG1 LYS 37 -9.669 -8.280 2.956 304 HD2 LYS 37 HD2 LYS 37 -7.338 -6.792 3.953 305 HD3 LYS 37 HD1 LYS 37 -8.766 -6.711 4.986 306 HE2 LYS 37 HE2 LYS 37 -7.313 -9.172 4.036 307 HE3 LYS 37 HE1 LYS 37 -7.462 -8.581 5.690 308 HZ1 LYS 37 HZ1 LYS 37 -9.449 -9.953 4.022 309 HZ2 LYS 37 HZ2 LYS 37 -9.990 -8.869 5.202 310 HZ3 LYS 37 HZ3 LYS 37 -9.052 -10.204 5.648 311 H LEU 38 HN LEU 38 -6.975 -4.188 3.257 312 HA LEU 38 HA LEU 38 -4.174 -4.992 2.901 313 HB2 LEU 38 HB2 LEU 38 -5.158 -2.545 2.693 314 HB3 LEU 38 HB1 LEU 38 -5.049 -2.563 4.433 315 HG LEU 38 HG LEU 38 -2.753 -2.426 4.434 316 HD11 LEU 38 HD11 LEU 38 -1.415 -3.064 2.294 317 HD12 LEU 38 HD12 LEU 38 -2.867 -3.972 1.874 318 HD13 LEU 38 HD13 LEU 38 -2.001 -4.339 3.366 319 HD21 LEU 38 HD21 LEU 38 -2.923 -0.399 3.489 320 HD22 LEU 38 HD22 LEU 38 -3.941 -0.984 2.175 321 HD23 LEU 38 HD23 LEU 38 -2.187 -1.166 2.079 322 H THR 39 HN THR 39 -3.086 -5.946 4.609 323 HA THR 39 HA THR 39 -4.569 -6.115 7.152 324 HB THR 39 HB THR 39 -2.976 -8.324 5.851 325 HG1 THR 39 HG1 THR 39 -4.898 -9.220 5.374 326 HG21 THR 39 HG21 THR 39 -3.742 -9.768 7.587 327 HG22 THR 39 HG22 THR 39 -4.693 -8.471 8.312 328 HG23 THR 39 HG23 THR 39 -2.931 -8.388 8.328 329 H ILE 40 HN ILE 40 -3.385 -6.333 9.058 330 HA ILE 40 HA ILE 40 -0.523 -5.661 8.864 331 HB ILE 40 HB ILE 40 -2.099 -4.649 11.182 332 HG12 ILE 40 HG12 ILE 40 -3.509 -3.908 9.373 333 HG13 ILE 40 HG11 ILE 40 -2.575 -2.530 9.943 334 HG21 ILE 40 HG21 ILE 40 0.288 -4.385 11.213 335 HG22 ILE 40 HG22 ILE 40 -0.454 -2.799 11.001 336 HG23 ILE 40 HG23 ILE 40 0.268 -3.626 9.621 337 HD11 ILE 40 HD11 ILE 40 -1.749 -2.194 7.924 338 HD12 ILE 40 HD12 ILE 40 -2.833 -3.453 7.330 339 HD13 ILE 40 HD13 ILE 40 -1.187 -3.862 7.817 340 H THR 41 HN THR 41 0.807 -6.852 10.114 341 HA THR 41 HA THR 41 -0.404 -8.514 12.221 342 HB THR 41 HB THR 41 1.905 -9.456 10.542 343 HG1 THR 41 HG1 THR 41 0.249 -10.681 9.405 344 HG21 THR 41 HG21 THR 41 0.447 -11.638 11.213 345 HG22 THR 41 HG22 THR 41 0.222 -10.616 12.632 346 HG23 THR 41 HG23 THR 41 1.849 -11.048 12.105 347 H GLN 42 HN GLN 42 0.997 -9.090 13.970 348 HA GLN 42 HA GLN 42 3.065 -7.065 14.424 349 HB2 GLN 42 HB2 GLN 42 1.083 -7.502 16.027 350 HB3 GLN 42 HB1 GLN 42 1.985 -8.929 16.519 351 HG2 GLN 42 HG2 GLN 42 2.850 -7.539 18.046 352 HG3 GLN 42 HG1 GLN 42 3.910 -7.060 16.721 353 HE21 GLN 42 HE21 GLN 42 1.730 -6.007 19.021 354 HE22 GLN 42 HE22 GLN 42 1.450 -4.415 18.412 355 H GLU 43 HN GLU 43 5.154 -7.551 14.818 356 HA GLU 43 HA GLU 43 6.097 -10.135 15.534 357 HB2 GLU 43 HB2 GLU 43 6.003 -9.401 12.665 358 HB3 GLU 43 HB1 GLU 43 7.510 -10.101 13.239 359 HG2 GLU 43 HG2 GLU 43 5.294 -11.625 14.222 360 HG3 GLU 43 HG1 GLU 43 5.169 -11.434 12.473 361 H GLY 44 HN GLY 44 7.240 -8.996 17.090 362 HA2 GLY 44 HA2 GLY 44 8.926 -7.706 17.977 363 HA3 GLY 44 HA1 GLY 44 9.840 -8.251 16.582 364 H ASN 45 HN ASN 45 10.800 -6.519 15.636 365 HA ASN 45 HA ASN 45 9.399 -3.955 15.678 366 HB2 ASN 45 HB2 ASN 45 11.863 -3.648 14.334 367 HB3 ASN 45 HB1 ASN 45 11.438 -3.106 15.948 368 HD21 ASN 45 HD21 ASN 45 11.604 -4.869 17.652 369 HD22 ASN 45 HD22 ASN 45 13.008 -5.871 17.575 370 H LYS 46 HN LYS 46 8.759 -6.346 13.978 371 HA LYS 46 HA LYS 46 8.727 -4.906 11.422 372 HB2 LYS 46 HB2 LYS 46 9.714 -6.570 10.271 373 HB3 LYS 46 HB1 LYS 46 10.284 -7.120 11.836 374 HG2 LYS 46 HG2 LYS 46 8.464 -8.691 11.996 375 HG3 LYS 46 HG1 LYS 46 7.759 -8.079 10.500 376 HD2 LYS 46 HD2 LYS 46 8.908 -9.709 9.488 377 HD3 LYS 46 HD1 LYS 46 10.327 -8.694 9.748 378 HE2 LYS 46 HE2 LYS 46 10.151 -9.948 12.140 379 HE3 LYS 46 HE1 LYS 46 9.511 -11.193 11.069 380 HZ1 LYS 46 HZ1 LYS 46 11.492 -11.276 9.867 381 HZ2 LYS 46 HZ2 LYS 46 12.002 -11.171 11.476 382 HZ3 LYS 46 HZ3 LYS 46 12.053 -9.803 10.483 383 H PHE 47 HN PHE 47 7.077 -5.835 9.896 384 HA PHE 47 HA PHE 47 4.726 -6.866 11.320 385 HB2 PHE 47 HB2 PHE 47 4.820 -4.522 9.419 386 HB3 PHE 47 HB1 PHE 47 3.334 -5.302 9.940 387 HD1 PHE 47 HD1 PHE 47 4.172 -5.779 12.832 388 HD2 PHE 47 HD2 PHE 47 4.449 -2.372 10.297 389 HE1 PHE 47 HE1 PHE 47 4.131 -4.310 14.803 390 HE2 PHE 47 HE2 PHE 47 4.405 -0.901 12.268 391 HZ PHE 47 HZ PHE 47 4.245 -1.869 14.524 392 H THR 48 HN THR 48 2.992 -7.546 9.713 393 HA THR 48 HA THR 48 4.225 -8.712 7.305 394 HB THR 48 HB THR 48 1.984 -10.121 8.681 395 HG1 THR 48 HG1 THR 48 4.693 -10.429 9.447 396 HG21 THR 48 HG21 THR 48 3.421 -12.106 7.965 397 HG22 THR 48 HG22 THR 48 4.308 -10.939 6.985 398 HG23 THR 48 HG23 THR 48 2.585 -11.194 6.709 399 H VAL 49 HN VAL 49 3.240 -8.124 5.474 400 HA VAL 49 HA VAL 49 0.624 -6.830 5.641 401 HB VAL 49 HB VAL 49 2.340 -7.052 3.175 402 HG11 VAL 49 HG11 VAL 49 1.052 -5.297 2.314 403 HG12 VAL 49 HG12 VAL 49 0.401 -4.879 3.899 404 HG13 VAL 49 HG13 VAL 49 -0.117 -6.361 3.095 405 HG21 VAL 49 HG21 VAL 49 2.364 -4.690 5.024 406 HG22 VAL 49 HG22 VAL 49 3.469 -5.075 3.705 407 HG23 VAL 49 HG23 VAL 49 3.514 -6.015 5.196 408 H LYS 50 HN LYS 50 -1.150 -7.955 5.242 409 HA LYS 50 HA LYS 50 -0.976 -10.241 3.387 410 HB2 LYS 50 HB2 LYS 50 -2.034 -10.060 6.088 411 HB3 LYS 50 HB1 LYS 50 -3.249 -10.639 4.956 412 HG2 LYS 50 HG2 LYS 50 -1.927 -12.493 4.334 413 HG3 LYS 50 HG1 LYS 50 -0.498 -11.830 5.129 414 HD2 LYS 50 HD2 LYS 50 -1.287 -12.332 7.251 415 HD3 LYS 50 HD1 LYS 50 -2.968 -12.403 6.717 416 HE2 LYS 50 HE2 LYS 50 -2.808 -14.560 6.074 417 HE3 LYS 50 HE1 LYS 50 -1.160 -14.367 5.477 418 HZ1 LYS 50 HZ1 LYS 50 -1.172 -15.828 7.365 419 HZ2 LYS 50 HZ2 LYS 50 -1.981 -14.685 8.313 420 HZ3 LYS 50 HZ3 LYS 50 -0.397 -14.388 7.799 421 H GLU 51 HN GLU 51 -1.908 -9.726 1.520 422 HA GLU 51 HA GLU 51 -4.153 -7.852 1.533 423 HB2 GLU 51 HB2 GLU 51 -1.918 -8.035 -0.094 424 HB3 GLU 51 HB1 GLU 51 -3.207 -8.696 -1.090 425 HG2 GLU 51 HG2 GLU 51 -3.634 -6.118 0.342 426 HG3 GLU 51 HG1 GLU 51 -2.673 -6.150 -1.135 427 H SER 52 HN SER 52 -6.093 -8.296 0.461 428 HA SER 52 HA SER 52 -6.536 -11.067 -0.380 429 HB2 SER 52 HB2 SER 52 -8.480 -9.629 1.432 430 HB3 SER 52 HB1 SER 52 -8.492 -11.328 0.961 431 HG SER 52 HG SER 52 -6.447 -10.094 2.493 432 H SER 53 HN SER 53 -8.014 -11.329 -1.998 433 HA SER 53 HA SER 53 -9.664 -9.091 -2.842 434 HB2 SER 53 HB2 SER 53 -7.595 -10.318 -4.682 435 HB3 SER 53 HB1 SER 53 -8.804 -9.123 -5.147 436 HG SER 53 HG SER 53 -6.680 -8.782 -3.297 437 H ALA 54 HN ALA 54 -10.611 -9.928 -5.193 438 HA ALA 54 HA ALA 54 -11.885 -12.477 -4.505 439 HB1 ALA 54 HB1 ALA 54 -12.927 -10.882 -6.760 440 HB2 ALA 54 HB2 ALA 54 -13.054 -10.154 -5.158 441 HB3 ALA 54 HB3 ALA 54 -13.785 -11.728 -5.472 442 H PHE 55 HN PHE 55 -9.548 -11.199 -6.603 443 HA PHE 55 HA PHE 55 -9.931 -13.396 -8.521 444 HB2 PHE 55 HB2 PHE 55 -8.854 -10.638 -8.758 445 HB3 PHE 55 HB1 PHE 55 -8.088 -11.879 -9.743 446 HD1 PHE 55 HD1 PHE 55 -11.435 -10.498 -8.887 447 HD2 PHE 55 HD2 PHE 55 -9.005 -12.447 -11.786 448 HE1 PHE 55 HE1 PHE 55 -13.251 -10.301 -10.536 449 HE2 PHE 55 HE2 PHE 55 -10.816 -12.253 -13.440 450 HZ PHE 55 HZ PHE 55 -12.942 -11.179 -12.816 451 H ARG 56 HN ARG 56 -7.758 -12.042 -6.168 452 HA ARG 56 HA ARG 56 -6.197 -14.435 -6.124 453 HB2 ARG 56 HB2 ARG 56 -4.057 -13.500 -6.753 454 HB3 ARG 56 HB1 ARG 56 -5.197 -13.280 -8.073 455 HG2 ARG 56 HG2 ARG 56 -5.532 -10.952 -7.384 456 HG3 ARG 56 HG1 ARG 56 -4.360 -11.179 -6.084 457 HD2 ARG 56 HD2 ARG 56 -2.929 -12.048 -8.206 458 HD3 ARG 56 HD1 ARG 56 -3.943 -10.831 -8.979 459 HE ARG 56 HE ARG 56 -1.733 -10.356 -7.273 460 HH11 ARG 56 HH11 ARG 56 -4.900 -9.128 -8.070 461 HH12 ARG 56 HH12 ARG 56 -4.526 -7.504 -7.600 462 HH21 ARG 56 HH21 ARG 56 -1.238 -8.221 -6.655 463 HH22 ARG 56 HH22 ARG 56 -2.446 -6.988 -6.797 464 H ASN 57 HN ASN 57 -3.974 -13.668 -4.791 465 HA ASN 57 HA ASN 57 -4.818 -11.927 -2.599 466 HB2 ASN 57 HB2 ASN 57 -5.343 -14.429 -2.164 467 HB3 ASN 57 HB1 ASN 57 -3.602 -14.603 -1.968 468 HD21 ASN 57 HD21 ASN 57 -6.530 -13.448 -0.599 469 HD22 ASN 57 HD22 ASN 57 -5.880 -12.946 0.921 470 H ILE 58 HN ILE 58 -3.210 -10.706 -1.806 471 HA ILE 58 HA ILE 58 -0.459 -11.341 -2.658 472 HB ILE 58 HB ILE 58 -1.431 -8.564 -2.026 473 HG12 ILE 58 HG12 ILE 58 -1.055 -9.061 -4.856 474 HG13 ILE 58 HG11 ILE 58 -2.311 -10.103 -4.201 475 HG21 ILE 58 HG21 ILE 58 0.533 -8.087 -3.634 476 HG22 ILE 58 HG22 ILE 58 1.004 -9.751 -3.290 477 HG23 ILE 58 HG23 ILE 58 0.884 -8.579 -1.977 478 HD11 ILE 58 HD11 ILE 58 -3.427 -8.192 -4.946 479 HD12 ILE 58 HD12 ILE 58 -2.211 -7.111 -4.263 480 HD13 ILE 58 HD13 ILE 58 -3.308 -7.988 -3.197 481 H GLU 59 HN GLU 59 1.250 -10.490 -1.198 482 HA GLU 59 HA GLU 59 0.649 -9.738 1.459 483 HB2 GLU 59 HB2 GLU 59 -0.114 -12.036 1.660 484 HB3 GLU 59 HB1 GLU 59 1.400 -12.629 0.994 485 HG2 GLU 59 HG2 GLU 59 2.473 -11.421 3.013 486 HG3 GLU 59 HG1 GLU 59 0.845 -11.471 3.685 487 H VAL 60 HN VAL 60 2.504 -9.255 2.676 488 HA VAL 60 HA VAL 60 5.126 -9.968 1.802 489 HB VAL 60 HB VAL 60 4.648 -8.294 0.086 490 HG11 VAL 60 HG11 VAL 60 4.222 -6.378 2.380 491 HG12 VAL 60 HG12 VAL 60 2.974 -6.985 1.292 492 HG13 VAL 60 HG13 VAL 60 4.260 -5.951 0.670 493 HG21 VAL 60 HG21 VAL 60 6.568 -7.175 2.123 494 HG22 VAL 60 HG22 VAL 60 6.599 -6.928 0.377 495 HG23 VAL 60 HG23 VAL 60 6.932 -8.525 1.047 496 H VAL 61 HN VAL 61 6.365 -10.012 3.566 497 HA VAL 61 HA VAL 61 5.469 -8.659 5.975 498 HB VAL 61 HB VAL 61 6.251 -10.988 6.132 499 HG11 VAL 61 HG11 VAL 61 8.827 -9.814 5.131 500 HG12 VAL 61 HG12 VAL 61 7.893 -11.147 4.454 501 HG13 VAL 61 HG13 VAL 61 8.750 -11.357 5.981 502 HG21 VAL 61 HG21 VAL 61 7.943 -8.958 7.583 503 HG22 VAL 61 HG22 VAL 61 7.854 -10.666 8.010 504 HG23 VAL 61 HG23 VAL 61 6.414 -9.655 8.119 505 H PHE 62 HN PHE 62 6.815 -7.191 7.193 506 HA PHE 62 HA PHE 62 9.166 -6.139 5.828 507 HB2 PHE 62 HB2 PHE 62 6.636 -4.574 6.260 508 HB3 PHE 62 HB1 PHE 62 8.200 -3.788 6.071 509 HD1 PHE 62 HD1 PHE 62 9.575 -4.881 3.982 510 HD2 PHE 62 HD2 PHE 62 5.348 -4.618 4.382 511 HE1 PHE 62 HE1 PHE 62 9.343 -4.974 1.536 512 HE2 PHE 62 HE2 PHE 62 5.110 -4.700 1.937 513 HZ PHE 62 HZ PHE 62 7.106 -4.885 0.510 514 H GLU 63 HN GLU 63 10.193 -4.371 7.069 515 HA GLU 63 HA GLU 63 9.730 -4.612 9.958 516 HB2 GLU 63 HB2 GLU 63 11.611 -6.086 9.052 517 HB3 GLU 63 HB1 GLU 63 12.471 -4.594 8.734 518 HG2 GLU 63 HG2 GLU 63 12.030 -4.077 11.226 519 HG3 GLU 63 HG1 GLU 63 11.706 -5.806 11.354 520 H LEU 64 HN LEU 64 10.002 -2.786 11.119 521 HA LEU 64 HA LEU 64 9.870 -0.294 9.850 522 HB2 LEU 64 HB2 LEU 64 10.781 -0.814 12.673 523 HB3 LEU 64 HB1 LEU 64 10.046 0.655 12.057 524 HG LEU 64 HG LEU 64 8.740 -2.001 12.605 525 HD11 LEU 64 HD11 LEU 64 8.663 0.726 13.745 526 HD12 LEU 64 HD12 LEU 64 8.521 -0.843 14.537 527 HD13 LEU 64 HD13 LEU 64 7.140 -0.161 13.678 528 HD21 LEU 64 HD21 LEU 64 7.998 -1.209 10.394 529 HD22 LEU 64 HD22 LEU 64 7.512 0.320 11.126 530 HD23 LEU 64 HD23 LEU 64 6.706 -1.178 11.595 531 H GLY 65 HN GLY 65 11.475 0.596 8.668 532 HA2 GLY 65 HA2 GLY 65 13.540 1.759 8.576 533 HA3 GLY 65 HA1 GLY 65 14.137 0.766 9.897 534 H VAL 66 HN VAL 66 12.451 -0.725 7.292 535 HA VAL 66 HA VAL 66 14.980 -1.564 6.066 536 HB VAL 66 HB VAL 66 12.686 -3.405 6.778 537 HG11 VAL 66 HG11 VAL 66 14.705 -5.026 6.013 538 HG12 VAL 66 HG12 VAL 66 14.970 -3.661 4.928 539 HG13 VAL 66 HG13 VAL 66 13.415 -4.493 4.935 540 HG21 VAL 66 HG21 VAL 66 14.078 -2.769 8.684 541 HG22 VAL 66 HG22 VAL 66 15.522 -3.264 7.799 542 HG23 VAL 66 HG23 VAL 66 14.317 -4.467 8.258 543 H THR 67 HN THR 67 14.960 -1.841 3.919 544 HA THR 67 HA THR 67 13.262 -0.318 2.393 545 HB THR 67 HB THR 67 15.228 -2.477 1.785 546 HG1 THR 67 HG1 THR 67 16.256 -0.632 2.016 547 HG21 THR 67 HG21 THR 67 15.032 -1.880 -0.640 548 HG22 THR 67 HG22 THR 67 13.473 -1.145 -0.262 549 HG23 THR 67 HG23 THR 67 13.721 -2.872 -0.003 550 H PHE 68 HN PHE 68 11.541 -0.655 1.098 551 HA PHE 68 HA PHE 68 9.834 -2.902 1.701 552 HB2 PHE 68 HB2 PHE 68 9.469 -0.207 0.839 553 HB3 PHE 68 HB1 PHE 68 8.793 -1.246 -0.405 554 HD1 PHE 68 HD1 PHE 68 8.831 -2.121 3.175 555 HD2 PHE 68 HD2 PHE 68 6.515 -0.611 -0.060 556 HE1 PHE 68 HE1 PHE 68 6.781 -2.399 4.502 557 HE2 PHE 68 HE2 PHE 68 4.468 -0.906 1.260 558 HZ PHE 68 HZ PHE 68 4.600 -1.786 3.551 559 H ASN 69 HN ASN 69 8.786 -4.106 -0.149 560 HA ASN 69 HA ASN 69 10.483 -4.268 -2.523 561 HB2 ASN 69 HB2 ASN 69 10.128 -6.399 -0.478 562 HB3 ASN 69 HB1 ASN 69 10.176 -6.891 -2.169 563 HD21 ASN 69 HD21 ASN 69 11.927 -5.075 0.293 564 HD22 ASN 69 HD22 ASN 69 13.501 -5.358 -0.361 565 H TYR 70 HN TYR 70 9.471 -4.831 -4.360 566 HA TYR 70 HA TYR 70 7.048 -6.251 -4.545 567 HB2 TYR 70 HB2 TYR 70 6.745 -3.494 -3.882 568 HB3 TYR 70 HB1 TYR 70 6.201 -3.711 -5.542 569 HD1 TYR 70 HD2 TYR 70 4.367 -5.331 -6.030 570 HD2 TYR 70 HD1 TYR 70 5.472 -4.312 -2.050 571 HE1 TYR 70 HE2 TYR 70 2.224 -6.219 -5.214 572 HE2 TYR 70 HE1 TYR 70 3.333 -5.198 -1.222 573 HH TYR 70 HH TYR 70 1.590 -6.713 -1.875 574 H ASN 71 HN ASN 71 8.267 -7.285 -6.157 575 HA ASN 71 HA ASN 71 8.194 -5.934 -8.730 576 HB2 ASN 71 HB2 ASN 71 10.526 -6.455 -9.268 577 HB3 ASN 71 HB1 ASN 71 10.430 -5.392 -7.867 578 HD21 ASN 71 HD21 ASN 71 12.511 -7.286 -8.774 579 HD22 ASN 71 HD22 ASN 71 12.790 -8.333 -7.429 580 H LEU 72 HN LEU 72 7.717 -7.274 -10.365 581 HA LEU 72 HA LEU 72 8.451 -9.912 -10.715 582 HB2 LEU 72 HB2 LEU 72 6.288 -11.072 -10.162 583 HB3 LEU 72 HB1 LEU 72 7.257 -10.588 -8.784 584 HG LEU 72 HG LEU 72 5.202 -8.644 -9.628 585 HD11 LEU 72 HD11 LEU 72 3.910 -10.624 -9.975 586 HD12 LEU 72 HD12 LEU 72 3.426 -9.917 -8.433 587 HD13 LEU 72 HD13 LEU 72 4.485 -11.326 -8.463 588 HD21 LEU 72 HD21 LEU 72 6.116 -7.956 -7.676 589 HD22 LEU 72 HD22 LEU 72 6.535 -9.591 -7.167 590 HD23 LEU 72 HD23 LEU 72 4.878 -9.013 -6.997 591 H ALA 73 HN ALA 73 6.933 -11.073 -12.316 592 HA ALA 73 HA ALA 73 6.592 -9.575 -14.590 593 HB1 ALA 73 HB1 ALA 73 5.381 -12.141 -13.661 594 HB2 ALA 73 HB2 ALA 73 6.523 -11.846 -14.972 595 HB3 ALA 73 HB3 ALA 73 4.825 -11.412 -15.168 596 H ASP 74 HN ASP 74 4.126 -10.375 -12.172 597 HA ASP 74 HA ASP 74 2.464 -8.190 -13.245 598 HB2 ASP 74 HB2 ASP 74 1.804 -10.930 -12.766 599 HB3 ASP 74 HB1 ASP 74 0.894 -9.940 -11.630 600 H GLY 75 HN GLY 75 3.455 -6.640 -11.904 601 HA2 GLY 75 HA2 GLY 75 2.276 -6.030 -9.511 602 HA3 GLY 75 HA1 GLY 75 3.658 -7.024 -9.071 603 H THR 76 HN THR 76 4.970 -5.919 -11.604 604 HA THR 76 HA THR 76 6.448 -4.331 -12.169 605 HB THR 76 HB THR 76 4.475 -2.660 -10.647 606 HG1 THR 76 HG1 THR 76 3.367 -3.088 -12.365 607 HG21 THR 76 HG21 THR 76 5.326 -0.761 -11.941 608 HG22 THR 76 HG22 THR 76 6.644 -1.782 -12.514 609 HG23 THR 76 HG23 THR 76 6.508 -1.398 -10.799 610 H GLU 77 HN GLU 77 8.339 -3.444 -11.434 611 HA GLU 77 HA GLU 77 9.153 -4.213 -8.812 612 HB2 GLU 77 HB2 GLU 77 10.662 -2.500 -10.784 613 HB3 GLU 77 HB1 GLU 77 11.336 -3.411 -9.440 614 HG2 GLU 77 HG2 GLU 77 11.761 -4.988 -10.947 615 HG3 GLU 77 HG1 GLU 77 10.038 -5.351 -10.860 616 H LEU 78 HN LEU 78 9.499 -3.045 -7.023 617 HA LEU 78 HA LEU 78 9.614 -0.190 -7.011 618 HB2 LEU 78 HB2 LEU 78 7.114 -1.621 -6.275 619 HB3 LEU 78 HB1 LEU 78 7.613 -0.307 -5.235 620 HG LEU 78 HG LEU 78 7.721 0.498 -8.001 621 HD11 LEU 78 HD11 LEU 78 4.943 -0.094 -7.079 622 HD12 LEU 78 HD12 LEU 78 5.870 -1.310 -7.963 623 HD13 LEU 78 HD13 LEU 78 5.531 0.253 -8.707 624 HD21 LEU 78 HD21 LEU 78 7.701 2.156 -6.358 625 HD22 LEU 78 HD22 LEU 78 6.300 1.449 -5.547 626 HD23 LEU 78 HD23 LEU 78 6.111 2.228 -7.117 627 H ARG 79 HN ARG 79 11.264 0.066 -5.659 628 HA ARG 79 HA ARG 79 11.306 -1.504 -3.164 629 HB2 ARG 79 HB2 ARG 79 13.057 -2.075 -4.961 630 HB3 ARG 79 HB1 ARG 79 13.783 -0.523 -4.561 631 HG2 ARG 79 HG2 ARG 79 14.285 -1.208 -2.365 632 HG3 ARG 79 HG1 ARG 79 13.242 -2.626 -2.487 633 HD2 ARG 79 HD2 ARG 79 15.112 -3.748 -2.978 634 HD3 ARG 79 HD1 ARG 79 14.988 -2.994 -4.567 635 HE ARG 79 HE ARG 79 16.376 -1.353 -2.684 636 HH11 ARG 79 HH11 ARG 79 16.731 -4.056 -4.862 637 HH12 ARG 79 HH12 ARG 79 18.432 -3.817 -5.081 638 HH21 ARG 79 HH21 ARG 79 18.613 -1.037 -2.971 639 HH22 ARG 79 HH22 ARG 79 19.501 -2.104 -4.007 640 H GLY 80 HN GLY 80 11.141 -0.273 -1.399 641 HA2 GLY 80 HA2 GLY 80 12.469 2.342 -1.363 642 HA3 GLY 80 HA1 GLY 80 10.750 2.295 -1.022 643 H THR 81 HN THR 81 10.309 2.368 1.090 644 HA THR 81 HA THR 81 11.596 0.569 2.932 645 HB THR 81 HB THR 81 12.132 2.496 4.549 646 HG1 THR 81 HG1 THR 81 12.168 4.463 3.781 647 HG21 THR 81 HG21 THR 81 14.356 2.853 3.690 648 HG22 THR 81 HG22 THR 81 13.873 2.247 2.106 649 HG23 THR 81 HG23 THR 81 13.894 1.163 3.497 650 H TRP 82 HN TRP 82 10.741 1.076 5.255 651 HA TRP 82 HA TRP 82 8.077 2.269 5.242 652 HB2 TRP 82 HB2 TRP 82 7.921 -0.225 4.633 653 HB3 TRP 82 HB1 TRP 82 8.404 -0.538 6.296 654 HD1 TRP 82 HD1 TRP 82 6.110 2.414 5.718 655 HE1 TRP 82 HE1 TRP 82 3.765 1.867 6.621 656 HE3 TRP 82 HE3 TRP 82 6.757 -2.556 6.679 657 HZ2 TRP 82 HZ2 TRP 82 2.373 -0.379 7.611 658 HZ3 TRP 82 HZ3 TRP 82 4.871 -3.837 7.601 659 HH2 TRP 82 HH2 TRP 82 2.725 -2.769 8.061 660 H SER 83 HN SER 83 7.771 3.375 7.058 661 HA SER 83 HA SER 83 9.133 2.522 9.506 662 HB2 SER 83 HB2 SER 83 9.350 5.224 8.195 663 HB3 SER 83 HB1 SER 83 9.599 5.019 9.928 664 HG SER 83 HG SER 83 11.114 4.022 7.780 665 H LEU 84 HN LEU 84 7.736 2.403 11.119 666 HA LEU 84 HA LEU 84 5.206 3.863 10.892 667 HB2 LEU 84 HB2 LEU 84 6.022 1.284 12.029 668 HB3 LEU 84 HB1 LEU 84 4.911 2.191 13.037 669 HG LEU 84 HG LEU 84 3.722 2.383 10.576 670 HD11 LEU 84 HD11 LEU 84 3.922 -0.426 10.388 671 HD12 LEU 84 HD12 LEU 84 5.565 0.213 10.409 672 HD13 LEU 84 HD13 LEU 84 4.414 0.785 9.205 673 HD21 LEU 84 HD21 LEU 84 3.322 0.893 13.059 674 HD22 LEU 84 HD22 LEU 84 2.518 0.186 11.657 675 HD23 LEU 84 HD23 LEU 84 2.187 1.858 12.114 676 H GLU 85 HN GLU 85 4.667 5.447 12.244 677 HA GLU 85 HA GLU 85 6.372 5.905 14.602 678 HB2 GLU 85 HB2 GLU 85 5.148 7.983 12.777 679 HB3 GLU 85 HB1 GLU 85 6.065 8.325 14.237 680 HG2 GLU 85 HG2 GLU 85 7.481 6.611 12.352 681 HG3 GLU 85 HG1 GLU 85 7.078 8.200 11.702 682 H GLY 86 HN GLY 86 4.990 5.005 16.099 683 HA2 GLY 86 HA2 GLY 86 3.283 5.054 17.641 684 HA3 GLY 86 HA1 GLY 86 2.863 6.643 17.025 685 H ASN 87 HN ASN 87 1.096 6.862 15.792 686 HA ASN 87 HA ASN 87 -0.353 4.398 15.105 687 HB2 ASN 87 HB2 ASN 87 -1.329 7.173 15.771 688 HB3 ASN 87 HB1 ASN 87 -2.371 5.955 15.041 689 HD21 ASN 87 HD21 ASN 87 -2.720 3.982 16.216 690 HD22 ASN 87 HD22 ASN 87 -2.647 3.987 17.942 691 H LYS 88 HN LYS 88 1.732 5.935 13.516 692 HA LYS 88 HA LYS 88 0.131 6.137 11.061 693 HB2 LYS 88 HB2 LYS 88 2.335 8.046 11.859 694 HB3 LYS 88 HB1 LYS 88 1.460 8.067 10.334 695 HG2 LYS 88 HG2 LYS 88 0.179 9.594 11.344 696 HG3 LYS 88 HG1 LYS 88 -0.585 8.201 12.112 697 HD2 LYS 88 HD2 LYS 88 -0.066 9.745 13.843 698 HD3 LYS 88 HD1 LYS 88 1.107 8.431 13.962 699 HE2 LYS 88 HE2 LYS 88 2.727 9.808 12.710 700 HE3 LYS 88 HE1 LYS 88 1.557 11.127 12.684 701 HZ1 LYS 88 HZ1 LYS 88 3.374 11.064 14.502 702 HZ2 LYS 88 HZ2 LYS 88 2.358 9.940 15.255 703 HZ3 LYS 88 HZ3 LYS 88 1.795 11.501 14.926 704 H LEU 89 HN LEU 89 1.014 5.218 9.282 705 HA LEU 89 HA LEU 89 3.722 4.089 9.563 706 HB2 LEU 89 HB2 LEU 89 1.886 2.853 7.611 707 HB3 LEU 89 HB1 LEU 89 3.051 2.108 8.685 708 HG LEU 89 HG LEU 89 1.254 2.814 10.520 709 HD11 LEU 89 HD11 LEU 89 -0.997 2.166 9.334 710 HD12 LEU 89 HD12 LEU 89 -0.191 2.839 7.920 711 HD13 LEU 89 HD13 LEU 89 -0.431 3.836 9.354 712 HD21 LEU 89 HD21 LEU 89 2.140 0.495 9.525 713 HD22 LEU 89 HD22 LEU 89 0.467 0.419 8.975 714 HD23 LEU 89 HD23 LEU 89 0.823 0.597 10.693 715 H ILE 90 HN ILE 90 5.193 4.777 8.132 716 HA ILE 90 HA ILE 90 4.205 6.073 5.677 717 HB ILE 90 HB ILE 90 6.900 6.657 6.866 718 HG12 ILE 90 HG12 ILE 90 5.501 8.820 7.624 719 HG13 ILE 90 HG11 ILE 90 4.224 7.614 7.754 720 HG21 ILE 90 HG21 ILE 90 6.688 7.408 4.636 721 HG22 ILE 90 HG22 ILE 90 6.447 8.835 5.643 722 HG23 ILE 90 HG23 ILE 90 5.059 8.025 4.914 723 HD11 ILE 90 HD11 ILE 90 6.889 7.167 9.033 724 HD12 ILE 90 HD12 ILE 90 5.327 6.449 9.428 725 HD13 ILE 90 HD13 ILE 90 5.647 8.138 9.823 726 H GLY 91 HN GLY 91 4.349 4.531 4.165 727 HA2 GLY 91 HA2 GLY 91 6.783 2.917 3.963 728 HA3 GLY 91 HA1 GLY 91 5.264 2.597 3.139 729 H LYS 92 HN LYS 92 7.700 2.552 1.805 730 HA LYS 92 HA LYS 92 7.228 4.631 -0.165 731 HB2 LYS 92 HB2 LYS 92 9.593 4.534 1.619 732 HB3 LYS 92 HB1 LYS 92 9.910 4.862 -0.077 733 HG2 LYS 92 HG2 LYS 92 9.602 6.993 0.545 734 HG3 LYS 92 HG1 LYS 92 7.898 6.588 0.363 735 HD2 LYS 92 HD2 LYS 92 8.392 7.766 2.481 736 HD3 LYS 92 HD1 LYS 92 7.696 6.168 2.732 737 HE2 LYS 92 HE2 LYS 92 9.434 5.583 3.971 738 HE3 LYS 92 HE1 LYS 92 10.528 5.909 2.625 739 HZ1 LYS 92 HZ1 LYS 92 11.317 7.358 4.180 740 HZ2 LYS 92 HZ2 LYS 92 9.805 7.623 4.891 741 HZ3 LYS 92 HZ3 LYS 92 10.187 8.362 3.419 742 H PHE 93 HN PHE 93 8.338 4.257 -2.168 743 HA PHE 93 HA PHE 93 9.631 1.662 -2.515 744 HB2 PHE 93 HB2 PHE 93 7.129 2.510 -3.981 745 HB3 PHE 93 HB1 PHE 93 8.281 1.400 -4.680 746 HD1 PHE 93 HD1 PHE 93 8.906 -0.654 -3.166 747 HD2 PHE 93 HD2 PHE 93 5.317 1.624 -2.829 748 HE1 PHE 93 HE1 PHE 93 7.783 -2.582 -2.134 749 HE2 PHE 93 HE2 PHE 93 4.202 -0.304 -1.786 750 HZ PHE 93 HZ PHE 93 5.427 -2.409 -1.446 751 H LYS 94 HN LYS 94 10.375 1.486 -4.855 752 HA LYS 94 HA LYS 94 10.835 3.972 -6.222 753 HB2 LYS 94 HB2 LYS 94 12.751 3.533 -4.456 754 HB3 LYS 94 HB1 LYS 94 13.326 2.419 -5.688 755 HG2 LYS 94 HG2 LYS 94 14.381 4.173 -6.517 756 HG3 LYS 94 HG1 LYS 94 12.801 4.633 -7.146 757 HD2 LYS 94 HD2 LYS 94 12.699 6.422 -5.810 758 HD3 LYS 94 HD1 LYS 94 13.153 5.470 -4.394 759 HE2 LYS 94 HE2 LYS 94 15.507 5.532 -5.575 760 HE3 LYS 94 HE1 LYS 94 14.844 7.005 -6.286 761 HZ1 LYS 94 HZ1 LYS 94 16.114 6.990 -3.974 762 HZ2 LYS 94 HZ2 LYS 94 14.553 6.680 -3.401 763 HZ3 LYS 94 HZ3 LYS 94 14.859 8.076 -4.305 764 H ARG 95 HN ARG 95 10.852 3.650 -8.358 765 HA ARG 95 HA ARG 95 10.395 1.016 -9.351 766 HB2 ARG 95 HB2 ARG 95 10.705 3.694 -10.688 767 HB3 ARG 95 HB1 ARG 95 10.522 2.214 -11.616 768 HG2 ARG 95 HG2 ARG 95 8.455 2.001 -9.869 769 HG3 ARG 95 HG1 ARG 95 8.542 3.746 -10.104 770 HD2 ARG 95 HD2 ARG 95 7.031 2.781 -11.724 771 HD3 ARG 95 HD1 ARG 95 8.467 3.396 -12.542 772 HE ARG 95 HE ARG 95 8.838 0.676 -11.944 773 HH11 ARG 95 HH11 ARG 95 6.953 2.729 -14.044 774 HH12 ARG 95 HH12 ARG 95 6.802 1.532 -15.286 775 HH21 ARG 95 HH21 ARG 95 8.640 -0.900 -13.577 776 HH22 ARG 95 HH22 ARG 95 7.759 -0.529 -15.021 777 H THR 96 HN THR 96 11.762 -0.406 -10.124 778 HA THR 96 HA THR 96 14.528 -0.159 -9.877 779 HB THR 96 HB THR 96 12.619 -2.129 -10.853 780 HG1 THR 96 HG1 THR 96 15.077 -2.185 -9.464 781 HG21 THR 96 HG21 THR 96 15.403 -2.231 -11.995 782 HG22 THR 96 HG22 THR 96 13.907 -2.045 -12.911 783 HG23 THR 96 HG23 THR 96 14.221 -3.541 -12.030 784 H ASP 97 HN ASP 97 12.438 0.881 -12.398 785 HA ASP 97 HA ASP 97 13.930 0.736 -14.689 786 HB2 ASP 97 HB2 ASP 97 11.675 1.682 -14.624 787 HB3 ASP 97 HB1 ASP 97 12.269 3.084 -13.740 788 H ASN 98 HN ASN 98 14.525 2.678 -11.884 789 HA ASN 98 HA ASN 98 17.191 3.204 -12.487 790 HB2 ASN 98 HB2 ASN 98 15.706 4.778 -14.102 791 HB3 ASN 98 HB1 ASN 98 15.804 5.819 -12.685 792 HD21 ASN 98 HD21 ASN 98 17.203 5.178 -15.541 793 HD22 ASN 98 HD22 ASN 98 18.813 5.717 -15.223 794 H GLY 99 HN GLY 99 14.261 4.263 -10.891 795 HA2 GLY 99 HA2 GLY 99 14.503 3.954 -8.389 796 HA3 GLY 99 HA1 GLY 99 15.824 5.101 -8.544 797 H ASN 100 HN ASN 100 12.426 4.803 -9.580 798 HA ASN 100 HA ASN 100 12.057 7.657 -9.441 799 HB2 ASN 100 HB2 ASN 100 10.160 5.372 -9.970 800 HB3 ASN 100 HB1 ASN 100 9.633 7.050 -9.896 801 HD21 ASN 100 HD21 ASN 100 12.001 4.960 -11.496 802 HD22 ASN 100 HD22 ASN 100 11.959 5.785 -13.013 803 H GLU 101 HN GLU 101 10.902 8.805 -7.926 804 HA GLU 101 HA GLU 101 10.898 7.717 -5.299 805 HB2 GLU 101 HB2 GLU 101 10.649 10.376 -6.508 806 HB3 GLU 101 HB1 GLU 101 9.721 10.160 -5.028 807 HG2 GLU 101 HG2 GLU 101 12.420 9.100 -4.850 808 HG3 GLU 101 HG1 GLU 101 12.370 10.824 -5.190 809 H LEU 102 HN LEU 102 9.385 6.958 -4.168 810 HA LEU 102 HA LEU 102 6.566 7.357 -4.890 811 HB2 LEU 102 HB2 LEU 102 7.446 5.222 -5.791 812 HB3 LEU 102 HB1 LEU 102 7.876 4.734 -4.165 813 HG LEU 102 HG LEU 102 5.853 3.606 -4.833 814 HD11 LEU 102 HD11 LEU 102 4.786 5.624 -2.946 815 HD12 LEU 102 HD12 LEU 102 6.199 4.682 -2.468 816 HD13 LEU 102 HD13 LEU 102 4.696 3.863 -2.898 817 HD21 LEU 102 HD21 LEU 102 5.150 5.405 -6.456 818 HD22 LEU 102 HD22 LEU 102 4.459 6.246 -5.065 819 HD23 LEU 102 HD23 LEU 102 3.869 4.646 -5.512 820 H ASN 103 HN ASN 103 5.578 8.211 -3.171 821 HA ASN 103 HA ASN 103 6.661 7.639 -0.499 822 HB2 ASN 103 HB2 ASN 103 4.976 10.035 -1.185 823 HB3 ASN 103 HB1 ASN 103 6.040 9.803 0.200 824 HD21 ASN 103 HD21 ASN 103 7.729 11.074 0.081 825 HD22 ASN 103 HD22 ASN 103 8.622 11.461 -1.347 826 H THR 104 HN THR 104 5.305 7.257 1.215 827 HA THR 104 HA THR 104 2.446 7.089 0.762 828 HB THR 104 HB THR 104 2.166 4.838 1.066 829 HG1 THR 104 HG1 THR 104 3.334 3.626 2.386 830 HG21 THR 104 HG21 THR 104 3.684 5.232 -0.948 831 HG22 THR 104 HG22 THR 104 3.552 3.591 -0.317 832 HG23 THR 104 HG23 THR 104 4.969 4.570 0.062 833 H VAL 105 HN VAL 105 1.541 8.089 2.403 834 HA VAL 105 HA VAL 105 2.766 7.810 5.069 835 HB VAL 105 HB VAL 105 1.241 10.223 4.084 836 HG11 VAL 105 HG11 VAL 105 1.628 9.420 6.639 837 HG12 VAL 105 HG12 VAL 105 1.469 11.106 6.144 838 HG13 VAL 105 HG13 VAL 105 3.069 10.403 6.382 839 HG21 VAL 105 HG21 VAL 105 3.790 11.083 4.480 840 HG22 VAL 105 HG22 VAL 105 3.113 10.644 2.911 841 HG23 VAL 105 HG23 VAL 105 4.066 9.470 3.819 842 H ARG 106 HN ARG 106 1.522 6.781 6.463 843 HA ARG 106 HA ARG 106 -1.395 6.822 6.051 844 HB2 ARG 106 HB2 ARG 106 0.257 4.665 7.372 845 HB3 ARG 106 HB1 ARG 106 -1.471 4.609 7.056 846 HG2 ARG 106 HG2 ARG 106 -1.106 4.530 4.694 847 HG3 ARG 106 HG1 ARG 106 0.621 4.819 4.905 848 HD2 ARG 106 HD2 ARG 106 0.951 2.689 5.885 849 HD3 ARG 106 HD1 ARG 106 -0.783 2.429 6.072 850 HE ARG 106 HE ARG 106 -0.190 2.771 3.347 851 HH11 ARG 106 HH11 ARG 106 0.283 0.469 5.926 852 HH12 ARG 106 HH12 ARG 106 0.341 -0.898 4.864 853 HH21 ARG 106 HH21 ARG 106 -0.115 0.975 1.949 854 HH22 ARG 106 HH22 ARG 106 0.115 -0.611 2.606 855 H GLU 107 HN GLU 107 -2.604 7.672 7.605 856 HA GLU 107 HA GLU 107 -1.505 7.857 10.327 857 HB2 GLU 107 HB2 GLU 107 -3.211 10.066 9.240 858 HB3 GLU 107 HB1 GLU 107 -2.055 10.104 10.564 859 HG2 GLU 107 HG2 GLU 107 -0.470 9.518 8.408 860 HG3 GLU 107 HG1 GLU 107 -1.672 10.611 7.722 861 H ILE 108 HN ILE 108 -3.004 7.706 12.007 862 HA ILE 108 HA ILE 108 -5.465 6.366 11.289 863 HB ILE 108 HB ILE 108 -4.194 6.961 13.959 864 HG12 ILE 108 HG12 ILE 108 -3.321 5.143 12.337 865 HG13 ILE 108 HG11 ILE 108 -3.592 4.701 14.019 866 HG21 ILE 108 HG21 ILE 108 -6.946 6.204 13.339 867 HG22 ILE 108 HG22 ILE 108 -6.249 6.825 14.836 868 HG23 ILE 108 HG23 ILE 108 -6.150 5.104 14.465 869 HD11 ILE 108 HD11 ILE 108 -4.385 3.096 12.198 870 HD12 ILE 108 HD12 ILE 108 -5.693 4.251 11.935 871 HD13 ILE 108 HD13 ILE 108 -5.502 3.475 13.507 872 H ILE 109 HN ILE 109 -6.604 8.101 10.303 873 HA ILE 109 HA ILE 109 -7.272 10.433 11.856 874 HB ILE 109 HB ILE 109 -7.084 10.254 9.274 875 HG12 ILE 109 HG12 ILE 109 -8.689 12.080 8.992 876 HG13 ILE 109 HG11 ILE 109 -9.449 11.664 10.525 877 HG21 ILE 109 HG21 ILE 109 -9.106 9.722 8.095 878 HG22 ILE 109 HG22 ILE 109 -9.958 9.436 9.615 879 HG23 ILE 109 HG23 ILE 109 -8.659 8.352 9.115 880 HD11 ILE 109 HD11 ILE 109 -7.510 13.545 10.172 881 HD12 ILE 109 HD12 ILE 109 -6.583 12.154 10.735 882 HD13 ILE 109 HD13 ILE 109 -7.919 12.774 11.705 883 H GLY 110 HN GLY 110 -8.801 10.430 13.399 884 HA2 GLY 110 HA2 GLY 110 -10.597 9.711 14.653 885 HA3 GLY 110 HA1 GLY 110 -11.395 9.507 13.111 886 H ASP 111 HN ASP 111 -12.246 7.600 12.940 887 HA ASP 111 HA ASP 111 -10.973 5.290 14.224 888 HB2 ASP 111 HB2 ASP 111 -13.191 4.163 13.686 889 HB3 ASP 111 HB1 ASP 111 -13.255 5.462 14.873 890 H GLU 112 HN GLU 112 -10.545 6.760 11.481 891 HA GLU 112 HA GLU 112 -10.363 4.302 9.874 892 HB2 GLU 112 HB2 GLU 112 -11.219 7.079 9.053 893 HB3 GLU 112 HB1 GLU 112 -10.711 5.866 7.888 894 HG2 GLU 112 HG2 GLU 112 -12.517 4.404 9.082 895 HG3 GLU 112 HG1 GLU 112 -13.153 5.970 9.579 896 H LEU 113 HN LEU 113 -8.852 4.836 7.885 897 HA LEU 113 HA LEU 113 -6.488 6.247 8.939 898 HB2 LEU 113 HB2 LEU 113 -6.512 3.617 8.598 899 HB3 LEU 113 HB1 LEU 113 -6.172 4.066 6.938 900 HG LEU 113 HG LEU 113 -4.316 5.562 8.185 901 HD11 LEU 113 HD11 LEU 113 -4.402 5.016 10.370 902 HD12 LEU 113 HD12 LEU 113 -3.371 3.691 9.830 903 HD13 LEU 113 HD13 LEU 113 -5.099 3.426 10.062 904 HD21 LEU 113 HD21 LEU 113 -3.353 4.322 6.584 905 HD22 LEU 113 HD22 LEU 113 -4.371 2.921 6.911 906 HD23 LEU 113 HD23 LEU 113 -2.950 3.232 7.909 907 H VAL 114 HN VAL 114 -5.658 7.806 7.734 908 HA VAL 114 HA VAL 114 -6.728 8.179 5.012 909 HB VAL 114 HB VAL 114 -7.121 10.084 6.472 910 HG11 VAL 114 HG11 VAL 114 -4.607 9.446 7.541 911 HG12 VAL 114 HG12 VAL 114 -5.691 10.746 8.036 912 HG13 VAL 114 HG13 VAL 114 -4.443 11.051 6.829 913 HG21 VAL 114 HG21 VAL 114 -6.592 11.659 4.932 914 HG22 VAL 114 HG22 VAL 114 -6.145 10.241 3.984 915 HG23 VAL 114 HG23 VAL 114 -4.904 11.159 4.837 916 H GLN 115 HN GLN 115 -5.424 7.265 3.558 917 HA GLN 115 HA GLN 115 -2.521 7.425 3.969 918 HB2 GLN 115 HB2 GLN 115 -3.930 5.624 2.010 919 HB3 GLN 115 HB1 GLN 115 -2.300 5.469 2.656 920 HG2 GLN 115 HG2 GLN 115 -3.600 5.298 4.944 921 HG3 GLN 115 HG1 GLN 115 -4.906 4.766 3.890 922 HE21 GLN 115 HE21 GLN 115 -3.765 3.258 2.046 923 HE22 GLN 115 HE22 GLN 115 -2.939 1.910 2.741 924 H THR 116 HN THR 116 -1.432 8.843 2.837 925 HA THR 116 HA THR 116 -2.440 9.664 0.188 926 HB THR 116 HB THR 116 -0.545 11.455 1.572 927 HG1 THR 116 HG1 THR 116 -3.154 10.987 2.556 928 HG21 THR 116 HG21 THR 116 -2.261 11.700 -0.552 929 HG22 THR 116 HG22 THR 116 -1.465 13.022 0.301 930 HG23 THR 116 HG23 THR 116 -3.103 12.544 0.747 931 H TYR 117 HN TYR 117 -1.228 8.919 -1.411 932 HA TYR 117 HA TYR 117 1.632 8.426 -0.903 933 HB2 TYR 117 HB2 TYR 117 -0.081 7.169 -3.053 934 HB3 TYR 117 HB1 TYR 117 1.555 6.722 -2.599 935 HD1 TYR 117 HD2 TYR 117 -1.821 7.011 -0.950 936 HD2 TYR 117 HD1 TYR 117 1.796 4.807 -1.403 937 HE1 TYR 117 HE2 TYR 117 -2.691 5.274 0.548 938 HE2 TYR 117 HE1 TYR 117 0.925 3.064 0.092 939 HH TYR 117 HH TYR 117 -1.904 2.439 0.731 940 H VAL 118 HN VAL 118 3.099 8.877 -2.705 941 HA VAL 118 HA VAL 118 2.066 10.407 -4.910 942 HB VAL 118 HB VAL 118 2.373 12.151 -3.203 943 HG11 VAL 118 HG11 VAL 118 4.039 11.681 -1.749 944 HG12 VAL 118 HG12 VAL 118 4.980 12.649 -2.882 945 HG13 VAL 118 HG13 VAL 118 5.036 10.891 -2.969 946 HG21 VAL 118 HG21 VAL 118 4.212 13.432 -4.623 947 HG22 VAL 118 HG22 VAL 118 2.601 13.107 -5.262 948 HG23 VAL 118 HG23 VAL 118 3.954 12.072 -5.715 949 H TYR 119 HN TYR 119 3.304 10.204 -6.722 950 HA TYR 119 HA TYR 119 6.076 9.396 -6.529 951 HB2 TYR 119 HB2 TYR 119 5.240 7.245 -6.381 952 HB3 TYR 119 HB1 TYR 119 3.901 7.554 -7.465 953 HD1 TYR 119 HD1 TYR 119 4.369 7.680 -9.960 954 HD2 TYR 119 HD2 TYR 119 7.288 6.408 -7.138 955 HE1 TYR 119 HE1 TYR 119 5.665 6.632 -11.768 956 HE2 TYR 119 HE2 TYR 119 8.582 5.361 -8.935 957 HH TYR 119 HH TYR 119 7.329 4.998 -12.137 958 H GLU 120 HN GLU 120 7.138 10.523 -7.958 959 HA GLU 120 HA GLU 120 7.312 12.202 -9.585 960 HB2 GLU 120 HB2 GLU 120 6.768 9.939 -11.456 961 HB3 GLU 120 HB1 GLU 120 8.046 11.146 -11.506 962 HG2 GLU 120 HG2 GLU 120 7.846 8.741 -9.727 963 HG3 GLU 120 HG1 GLU 120 9.051 9.082 -10.961 964 H GLY 121 HN GLY 121 5.494 13.543 -9.403 965 HA2 GLY 121 HA2 GLY 121 3.728 14.681 -10.335 966 HA3 GLY 121 HA1 GLY 121 3.859 13.629 -11.718 967 H VAL 122 HN VAL 122 3.510 11.532 -9.264 968 HA VAL 122 HA VAL 122 0.595 11.458 -9.622 969 HB VAL 122 HB VAL 122 2.372 9.194 -8.719 970 HG11 VAL 122 HG11 VAL 122 -0.297 9.373 -8.492 971 HG12 VAL 122 HG12 VAL 122 0.571 7.863 -8.766 972 HG13 VAL 122 HG13 VAL 122 -0.164 8.709 -10.120 973 HG21 VAL 122 HG21 VAL 122 2.214 10.381 -11.285 974 HG22 VAL 122 HG22 VAL 122 1.424 8.808 -11.357 975 HG23 VAL 122 HG23 VAL 122 3.086 8.935 -10.787 976 H GLU 123 HN GLU 123 -0.771 11.207 -7.881 977 HA GLU 123 HA GLU 123 0.257 10.876 -5.225 978 HB2 GLU 123 HB2 GLU 123 0.293 13.423 -6.013 979 HB3 GLU 123 HB1 GLU 123 -1.397 13.325 -5.532 980 HG2 GLU 123 HG2 GLU 123 -0.905 13.108 -3.344 981 HG3 GLU 123 HG1 GLU 123 0.588 12.241 -3.639 982 H ALA 124 HN ALA 124 -1.081 9.403 -4.436 983 HA ALA 124 HA ALA 124 -3.945 9.660 -5.059 984 HB1 ALA 124 HB1 ALA 124 -2.908 7.724 -6.171 985 HB2 ALA 124 HB2 ALA 124 -4.135 7.241 -5.001 986 HB3 ALA 124 HB3 ALA 124 -2.425 7.098 -4.595 987 H LYS 125 HN LYS 125 -5.401 9.501 -3.462 988 HA LYS 125 HA LYS 125 -4.348 9.269 -0.723 989 HB2 LYS 125 HB2 LYS 125 -6.218 11.095 -1.976 990 HB3 LYS 125 HB1 LYS 125 -6.977 10.268 -0.623 991 HG2 LYS 125 HG2 LYS 125 -5.935 11.586 0.812 992 HG3 LYS 125 HG1 LYS 125 -4.367 11.112 0.157 993 HD2 LYS 125 HD2 LYS 125 -6.147 13.297 -0.924 994 HD3 LYS 125 HD1 LYS 125 -4.690 13.536 0.044 995 HE2 LYS 125 HE2 LYS 125 -3.691 11.993 -1.915 996 HE3 LYS 125 HE1 LYS 125 -4.986 12.796 -2.801 997 HZ1 LYS 125 HZ1 LYS 125 -3.245 14.458 -1.143 998 HZ2 LYS 125 HZ2 LYS 125 -3.987 14.811 -2.621 999 HZ3 LYS 125 HZ3 LYS 125 -2.598 13.847 -2.582 1000 H ARG 126 HN ARG 126 -5.846 8.167 0.842 1001 HA ARG 126 HA ARG 126 -7.832 6.430 -0.330 1002 HB2 ARG 126 HB2 ARG 126 -5.774 5.250 -0.878 1003 HB3 ARG 126 HB1 ARG 126 -5.275 5.291 0.800 1004 HG2 ARG 126 HG2 ARG 126 -7.246 3.905 1.377 1005 HG3 ARG 126 HG1 ARG 126 -7.630 3.802 -0.343 1006 HD2 ARG 126 HD2 ARG 126 -5.899 2.396 -0.788 1007 HD3 ARG 126 HD1 ARG 126 -4.879 3.072 0.479 1008 HE ARG 126 HE ARG 126 -6.466 0.771 0.687 1009 HH11 ARG 126 HH11 ARG 126 -5.680 3.634 2.521 1010 HH12 ARG 126 HH12 ARG 126 -5.950 2.878 4.053 1011 HH21 ARG 126 HH21 ARG 126 -6.822 -0.224 2.703 1012 HH22 ARG 126 HH22 ARG 126 -6.600 0.688 4.158 1013 H ILE 127 HN ILE 127 -9.442 6.523 1.061 1014 HA ILE 127 HA ILE 127 -8.999 6.939 3.891 1015 HB ILE 127 HB ILE 127 -11.675 6.242 2.730 1016 HG12 ILE 127 HG12 ILE 127 -10.852 7.922 1.197 1017 HG13 ILE 127 HG11 ILE 127 -12.037 8.665 2.265 1018 HG21 ILE 127 HG21 ILE 127 -11.141 6.577 5.216 1019 HG22 ILE 127 HG22 ILE 127 -12.545 7.411 4.548 1020 HG23 ILE 127 HG23 ILE 127 -11.043 8.293 4.820 1021 HD11 ILE 127 HD11 ILE 127 -9.108 8.823 2.841 1022 HD12 ILE 127 HD12 ILE 127 -10.414 9.854 3.427 1023 HD13 ILE 127 HD13 ILE 127 -9.901 9.952 1.742 1024 H PHE 128 HN PHE 128 -9.593 5.404 5.518 1025 HA PHE 128 HA PHE 128 -9.919 2.668 4.486 1026 HB2 PHE 128 HB2 PHE 128 -7.642 2.771 5.032 1027 HB3 PHE 128 HB1 PHE 128 -7.947 3.713 6.488 1028 HD1 PHE 128 HD1 PHE 128 -8.510 0.394 4.975 1029 HD2 PHE 128 HD2 PHE 128 -8.159 2.661 8.546 1030 HE1 PHE 128 HE1 PHE 128 -8.589 -1.656 6.279 1031 HE2 PHE 128 HE2 PHE 128 -8.211 0.578 9.865 1032 HZ PHE 128 HZ PHE 128 -8.439 -1.586 8.730 1033 H LYS 129 HN LYS 129 -10.819 1.130 5.868 1034 HA LYS 129 HA LYS 129 -12.060 2.015 8.345 1035 HB2 LYS 129 HB2 LYS 129 -14.252 1.226 7.760 1036 HB3 LYS 129 HB1 LYS 129 -13.744 2.429 6.586 1037 HG2 LYS 129 HG2 LYS 129 -13.708 0.959 4.892 1038 HG3 LYS 129 HG1 LYS 129 -13.145 -0.370 5.903 1039 HD2 LYS 129 HD2 LYS 129 -15.228 -1.052 6.388 1040 HD3 LYS 129 HD1 LYS 129 -15.837 0.597 6.526 1041 HE2 LYS 129 HE2 LYS 129 -16.898 -0.582 4.667 1042 HE3 LYS 129 HE1 LYS 129 -15.930 0.775 4.093 1043 HZ1 LYS 129 HZ1 LYS 129 -15.536 -2.082 3.707 1044 HZ2 LYS 129 HZ2 LYS 129 -14.136 -1.166 3.956 1045 HZ3 LYS 129 HZ3 LYS 129 -15.176 -0.789 2.676 1046 H LYS 130 HN LYS 130 -12.782 0.171 9.656 1047 HA LYS 130 HA LYS 130 -11.222 -2.223 8.959 1048 HB2 LYS 130 HB2 LYS 130 -11.420 -2.722 11.453 1049 HB3 LYS 130 HB1 LYS 130 -10.361 -1.407 10.966 1050 HG2 LYS 130 HG2 LYS 130 -12.197 0.186 11.492 1051 HG3 LYS 130 HG1 LYS 130 -13.130 -1.173 12.122 1052 HD2 LYS 130 HD2 LYS 130 -10.939 -1.583 13.530 1053 HD3 LYS 130 HD1 LYS 130 -10.690 0.137 13.221 1054 HE2 LYS 130 HE2 LYS 130 -13.396 -0.605 14.103 1055 HE3 LYS 130 HE1 LYS 130 -12.123 -0.856 15.296 1056 HZ1 LYS 130 HZ1 LYS 130 -11.442 1.469 14.937 1057 HZ2 LYS 130 HZ2 LYS 130 -13.018 1.338 15.538 1058 HZ3 LYS 130 HZ3 LYS 130 -12.764 1.686 13.902 1059 H ASP 131 HN ASP 131 -12.032 -4.286 9.352 1060 HA ASP 131 HA ASP 131 -14.796 -4.593 8.723 1061 HB2 ASP 131 HB2 ASP 131 -12.665 -6.102 8.211 1062 HB3 ASP 131 HB1 ASP 131 -13.178 -6.903 9.692 1063 H2 KTR 201 H6 KET 1 -1.412 1.680 -4.963 1064 H3 KTR 201 H31 KET 1 2.203 -0.728 -2.076 1065 H4 KTR 201 H32 KET 1 2.985 0.287 -3.296 1066 H5 KTR 201 H21 KET 1 1.333 1.051 -0.984 1067 H6 KTR 201 H22 KET 1 2.696 1.902 -1.740 1068 H7 KTR 201 H1 KET 1 0.129 2.651 -2.254 1069 H8 KTR 201 H11 KET 1 2.294 -1.281 -6.634 1070 H9 KTR 201 H13 KET 1 2.648 -2.109 -8.935 1071 H10 KTR 201 H15 KET 1 1.604 -4.226 -9.653 1072 H11 KTR 201 H14 KET 1 0.211 -5.517 -8.070 1073 H12 KTR 201 H12 KET 1 -0.135 -4.682 -5.774 1074 H13 KTR 201 H7 KET 1 -1.279 -0.859 -5.805 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -3.546 -0.632 19.140 2 H2 ALA 1 HT2 ALA 1 -3.118 -0.017 17.596 3 H3 ALA 1 HT3 ALA 1 -2.423 -1.481 18.162 4 HA ALA 1 HA ALA 1 -4.347 -2.652 17.932 5 HB1 ALA 1 HB1 ALA 1 -6.113 -0.460 17.120 6 HB2 ALA 1 HB2 ALA 1 -5.584 -0.386 18.801 7 HB3 ALA 1 HB3 ALA 1 -6.412 -1.822 18.199 8 H PHE 2 HN PHE 2 -2.273 -1.980 16.181 9 HA PHE 2 HA PHE 2 -3.493 -1.295 13.639 10 HB2 PHE 2 HB2 PHE 2 -0.734 -1.532 14.672 11 HB3 PHE 2 HB1 PHE 2 -0.956 -1.960 12.978 12 HD1 PHE 2 HD2 PHE 2 -2.126 -0.263 11.473 13 HD2 PHE 2 HD1 PHE 2 -0.573 0.695 15.318 14 HE1 PHE 2 HE2 PHE 2 -2.112 2.123 10.867 15 HE2 PHE 2 HE1 PHE 2 -0.557 3.081 14.721 16 HZ PHE 2 HZ PHE 2 -1.326 3.798 12.494 17 H ASP 3 HN ASP 3 -1.833 -4.078 15.100 18 HA ASP 3 HA ASP 3 -1.984 -5.807 12.909 19 HB2 ASP 3 HB2 ASP 3 -2.218 -6.688 15.787 20 HB3 ASP 3 HB1 ASP 3 -1.525 -7.580 14.436 21 H SER 4 HN SER 4 -3.777 -6.315 11.829 22 HA SER 4 HA SER 4 -5.863 -7.825 12.829 23 HB2 SER 4 HB2 SER 4 -6.128 -5.154 13.677 24 HB3 SER 4 HB1 SER 4 -7.285 -5.347 12.362 25 HG SER 4 HG SER 4 -8.369 -6.031 14.118 26 H THR 5 HN THR 5 -8.008 -7.239 11.332 27 HA THR 5 HA THR 5 -6.993 -7.526 8.615 28 HB THR 5 HB THR 5 -9.830 -7.745 9.650 29 HG1 THR 5 HG1 THR 5 -8.859 -9.461 10.505 30 HG21 THR 5 HG21 THR 5 -9.033 -7.476 7.051 31 HG22 THR 5 HG22 THR 5 -10.531 -8.228 7.602 32 HG23 THR 5 HG23 THR 5 -9.119 -9.226 7.255 33 H TRP 6 HN TRP 6 -6.849 -5.817 7.296 34 HA TRP 6 HA TRP 6 -8.604 -3.521 7.858 35 HB2 TRP 6 HB2 TRP 6 -5.783 -3.574 6.830 36 HB3 TRP 6 HB1 TRP 6 -6.761 -2.151 6.771 37 HD1 TRP 6 HD1 TRP 6 -6.624 -4.559 9.761 38 HE1 TRP 6 HE1 TRP 6 -5.752 -3.267 11.805 39 HE3 TRP 6 HE3 TRP 6 -5.433 -0.156 7.470 40 HZ2 TRP 6 HZ2 TRP 6 -4.699 -0.719 12.370 41 HZ3 TRP 6 HZ3 TRP 6 -4.493 1.664 8.838 42 HH2 TRP 6 HH2 TRP 6 -4.131 1.386 11.236 43 H LYS 7 HN LYS 7 -9.972 -2.975 6.375 44 HA LYS 7 HA LYS 7 -9.492 -3.813 3.591 45 HB2 LYS 7 HB2 LYS 7 -11.926 -4.058 3.319 46 HB3 LYS 7 HB1 LYS 7 -11.295 -5.143 4.552 47 HG2 LYS 7 HG2 LYS 7 -12.494 -4.191 6.176 48 HG3 LYS 7 HG1 LYS 7 -12.178 -2.562 5.581 49 HD2 LYS 7 HD2 LYS 7 -14.124 -4.456 4.278 50 HD3 LYS 7 HD1 LYS 7 -14.588 -3.283 5.513 51 HE2 LYS 7 HE2 LYS 7 -13.618 -1.495 4.056 52 HE3 LYS 7 HE1 LYS 7 -13.405 -2.716 2.802 53 HZ1 LYS 7 HZ1 LYS 7 -15.823 -1.406 3.716 54 HZ2 LYS 7 HZ2 LYS 7 -15.974 -3.065 3.422 55 HZ3 LYS 7 HZ3 LYS 7 -15.440 -2.034 2.192 56 H VAL 8 HN VAL 8 -9.118 -2.182 2.361 57 HA VAL 8 HA VAL 8 -9.509 0.499 3.040 58 HB VAL 8 HB VAL 8 -7.955 -0.632 1.266 59 HG11 VAL 8 HG11 VAL 8 -10.286 0.178 -0.478 60 HG12 VAL 8 HG12 VAL 8 -9.793 -1.482 -0.142 61 HG13 VAL 8 HG13 VAL 8 -8.713 -0.403 -1.026 62 HG21 VAL 8 HG21 VAL 8 -8.843 2.014 1.758 63 HG22 VAL 8 HG22 VAL 8 -8.599 1.835 0.020 64 HG23 VAL 8 HG23 VAL 8 -7.286 1.469 1.139 65 H ASP 9 HN ASP 9 -11.190 1.855 2.856 66 HA ASP 9 HA ASP 9 -13.700 0.811 1.853 67 HB2 ASP 9 HB2 ASP 9 -14.101 1.960 3.812 68 HB3 ASP 9 HB1 ASP 9 -12.881 3.181 3.481 69 H ARG 10 HN ARG 10 -11.967 3.901 1.322 70 HA ARG 10 HA ARG 10 -12.818 3.741 -1.492 71 HB2 ARG 10 HB2 ARG 10 -12.873 6.342 -1.327 72 HB3 ARG 10 HB1 ARG 10 -14.255 5.404 -0.786 73 HG2 ARG 10 HG2 ARG 10 -13.000 5.555 1.535 74 HG3 ARG 10 HG1 ARG 10 -12.301 6.991 0.783 75 HD2 ARG 10 HD2 ARG 10 -14.669 7.679 0.220 76 HD3 ARG 10 HD1 ARG 10 -15.203 6.385 1.291 77 HE ARG 10 HE ARG 10 -13.458 7.832 2.804 78 HH11 ARG 10 HH11 ARG 10 -16.341 8.599 0.993 79 HH12 ARG 10 HH12 ARG 10 -16.800 9.903 2.036 80 HH21 ARG 10 HH21 ARG 10 -14.060 9.547 4.177 81 HH22 ARG 10 HH22 ARG 10 -15.505 10.442 3.843 82 H SER 11 HN SER 11 -11.548 5.341 -2.876 83 HA SER 11 HA SER 11 -8.817 5.740 -1.921 84 HB2 SER 11 HB2 SER 11 -7.853 4.638 -3.895 85 HB3 SER 11 HB1 SER 11 -8.818 3.505 -2.951 86 HG SER 11 HG SER 11 -10.559 4.018 -4.466 87 H GLU 12 HN GLU 12 -7.500 6.979 -3.531 88 HA GLU 12 HA GLU 12 -9.001 8.560 -5.447 89 HB2 GLU 12 HB2 GLU 12 -8.922 9.564 -2.951 90 HB3 GLU 12 HB1 GLU 12 -7.394 10.187 -3.558 91 HG2 GLU 12 HG2 GLU 12 -8.603 11.893 -4.318 92 HG3 GLU 12 HG1 GLU 12 -9.095 10.788 -5.601 93 H ASN 13 HN ASN 13 -7.768 9.052 -7.166 94 HA ASN 13 HA ASN 13 -5.993 9.212 -8.555 95 HB2 ASN 13 HB2 ASN 13 -5.018 10.224 -5.970 96 HB3 ASN 13 HB1 ASN 13 -3.773 9.733 -7.104 97 HD21 ASN 13 HD21 ASN 13 -6.901 11.045 -7.981 98 HD22 ASN 13 HD22 ASN 13 -6.304 12.520 -8.651 99 H TYR 14 HN TYR 14 -6.564 6.683 -6.781 100 HA TYR 14 HA TYR 14 -4.192 5.264 -6.455 101 HB2 TYR 14 HB2 TYR 14 -6.719 4.694 -5.872 102 HB3 TYR 14 HB1 TYR 14 -6.637 3.835 -7.403 103 HD1 TYR 14 HD1 TYR 14 -3.919 2.751 -7.369 104 HD2 TYR 14 HD2 TYR 14 -6.766 3.051 -4.227 105 HE1 TYR 14 HE1 TYR 14 -2.872 0.830 -6.248 106 HE2 TYR 14 HE2 TYR 14 -5.726 1.134 -3.092 107 HH TYR 14 HH TYR 14 -3.124 0.102 -3.231 108 H ASP 15 HN ASP 15 -6.364 5.519 -9.245 109 HA ASP 15 HA ASP 15 -5.051 3.819 -11.017 110 HB2 ASP 15 HB2 ASP 15 -7.275 5.236 -11.235 111 HB3 ASP 15 HB1 ASP 15 -6.202 6.400 -12.010 112 H LYS 16 HN LYS 16 -4.331 7.063 -9.973 113 HA LYS 16 HA LYS 16 -2.547 7.941 -11.897 114 HB2 LYS 16 HB2 LYS 16 -3.455 8.976 -9.616 115 HB3 LYS 16 HB1 LYS 16 -1.902 8.410 -9.025 116 HG2 LYS 16 HG2 LYS 16 -1.041 10.311 -9.746 117 HG3 LYS 16 HG1 LYS 16 -1.314 9.741 -11.388 118 HD2 LYS 16 HD2 LYS 16 -3.760 10.638 -10.860 119 HD3 LYS 16 HD1 LYS 16 -2.850 11.667 -9.750 120 HE2 LYS 16 HE2 LYS 16 -1.333 11.994 -11.904 121 HE3 LYS 16 HE1 LYS 16 -2.843 11.594 -12.721 122 HZ1 LYS 16 HZ1 LYS 16 -2.467 14.011 -12.326 123 HZ2 LYS 16 HZ2 LYS 16 -2.614 13.720 -10.666 124 HZ3 LYS 16 HZ3 LYS 16 -3.922 13.421 -11.695 125 H PHE 17 HN PHE 17 -2.040 5.806 -9.159 126 HA PHE 17 HA PHE 17 0.779 5.559 -9.612 127 HB2 PHE 17 HB2 PHE 17 -1.167 4.025 -7.885 128 HB3 PHE 17 HB1 PHE 17 0.548 3.623 -7.969 129 HD1 PHE 17 HD1 PHE 17 -0.881 6.998 -8.152 130 HD2 PHE 17 HD2 PHE 17 1.189 4.156 -5.706 131 HE1 PHE 17 HE1 PHE 17 -0.397 8.771 -6.553 132 HE2 PHE 17 HE2 PHE 17 1.678 5.949 -4.092 133 HZ PHE 17 HZ PHE 17 0.891 8.248 -4.508 134 H MET 18 HN MET 18 -2.037 4.011 -10.863 135 HA MET 18 HA MET 18 -0.802 1.614 -11.755 136 HB2 MET 18 HB2 MET 18 -3.370 3.034 -12.327 137 HB3 MET 18 HB1 MET 18 -2.861 1.735 -13.393 138 HG2 MET 18 HG2 MET 18 -4.245 0.700 -11.855 139 HG3 MET 18 HG1 MET 18 -2.624 0.340 -11.283 140 HE1 MET 18 HE1 MET 18 -2.030 1.920 -8.184 141 HE2 MET 18 HE2 MET 18 -1.669 0.744 -9.447 142 HE3 MET 18 HE3 MET 18 -2.844 0.356 -8.190 143 H GLU 19 HN GLU 19 -1.167 4.843 -13.105 144 HA GLU 19 HA GLU 19 -0.287 3.972 -15.719 145 HB2 GLU 19 HB2 GLU 19 -0.665 6.810 -14.779 146 HB3 GLU 19 HB1 GLU 19 -0.677 6.215 -16.434 147 HG2 GLU 19 HG2 GLU 19 -2.721 5.569 -14.322 148 HG3 GLU 19 HG1 GLU 19 -2.919 6.738 -15.626 149 H LYS 20 HN LYS 20 0.994 6.428 -13.437 150 HA LYS 20 HA LYS 20 3.384 6.860 -14.769 151 HB2 LYS 20 HB2 LYS 20 2.389 8.208 -12.897 152 HB3 LYS 20 HB1 LYS 20 3.030 7.007 -11.785 153 HG2 LYS 20 HG2 LYS 20 4.856 8.246 -11.723 154 HG3 LYS 20 HG1 LYS 20 5.207 7.642 -13.333 155 HD2 LYS 20 HD2 LYS 20 3.748 9.611 -14.142 156 HD3 LYS 20 HD1 LYS 20 3.994 10.264 -12.517 157 HE2 LYS 20 HE2 LYS 20 5.737 11.212 -13.686 158 HE3 LYS 20 HE1 LYS 20 6.498 9.789 -12.984 159 HZ1 LYS 20 HZ1 LYS 20 5.312 9.641 -15.674 160 HZ2 LYS 20 HZ2 LYS 20 6.564 8.720 -15.006 161 HZ3 LYS 20 HZ3 LYS 20 6.848 10.322 -15.471 162 H MET 21 HN MET 21 2.739 4.577 -12.100 163 HA MET 21 HA MET 21 5.439 3.563 -12.224 164 HB2 MET 21 HB2 MET 21 3.033 2.608 -10.667 165 HB3 MET 21 HB1 MET 21 4.654 1.951 -10.504 166 HG2 MET 21 HG2 MET 21 5.339 3.636 -9.215 167 HG3 MET 21 HG1 MET 21 4.531 4.850 -10.203 168 HE1 MET 21 HE1 MET 21 1.760 2.123 -8.455 169 HE2 MET 21 HE2 MET 21 2.811 2.173 -7.040 170 HE3 MET 21 HE3 MET 21 3.469 1.719 -8.611 171 H GLY 22 HN GLY 22 2.318 2.701 -13.514 172 HA2 GLY 22 HA2 GLY 22 1.974 1.293 -15.354 173 HA3 GLY 22 HA1 GLY 22 3.597 0.654 -15.142 174 H VAL 23 HN VAL 23 0.649 0.833 -13.147 175 HA VAL 23 HA VAL 23 1.105 -1.951 -12.336 176 HB VAL 23 HB VAL 23 -1.022 -0.142 -11.217 177 HG11 VAL 23 HG11 VAL 23 -0.674 -1.549 -9.196 178 HG12 VAL 23 HG12 VAL 23 0.428 -2.550 -10.146 179 HG13 VAL 23 HG13 VAL 23 -1.273 -2.437 -10.600 180 HG21 VAL 23 HG21 VAL 23 1.795 0.266 -11.030 181 HG22 VAL 23 HG22 VAL 23 1.174 -0.198 -9.447 182 HG23 VAL 23 HG23 VAL 23 0.489 1.191 -10.289 183 H ASN 24 HN ASN 24 0.323 -3.224 -13.941 184 HA ASN 24 HA ASN 24 -1.747 -2.763 -15.662 185 HB2 ASN 24 HB2 ASN 24 -0.254 -5.089 -14.759 186 HB3 ASN 24 HB1 ASN 24 -1.885 -5.490 -15.254 187 HD21 ASN 24 HD21 ASN 24 0.922 -3.614 -16.313 188 HD22 ASN 24 HD22 ASN 24 0.745 -3.971 -17.994 189 H ILE 25 HN ILE 25 -3.697 -4.364 -15.744 190 HA ILE 25 HA ILE 25 -5.420 -3.597 -13.541 191 HB ILE 25 HB ILE 25 -6.183 -3.354 -15.871 192 HG12 ILE 25 HG12 ILE 25 -8.076 -5.398 -14.964 193 HG13 ILE 25 HG11 ILE 25 -7.622 -4.259 -13.701 194 HG21 ILE 25 HG21 ILE 25 -6.688 -6.243 -16.178 195 HG22 ILE 25 HG22 ILE 25 -5.019 -5.709 -16.379 196 HG23 ILE 25 HG23 ILE 25 -6.292 -5.022 -17.387 197 HD11 ILE 25 HD11 ILE 25 -9.544 -3.914 -15.678 198 HD12 ILE 25 HD12 ILE 25 -8.198 -2.877 -16.153 199 HD13 ILE 25 HD13 ILE 25 -8.930 -2.697 -14.559 200 H VAL 26 HN VAL 26 -3.966 -6.467 -14.876 201 HA VAL 26 HA VAL 26 -5.412 -8.526 -13.863 202 HB VAL 26 HB VAL 26 -2.405 -8.427 -13.694 203 HG11 VAL 26 HG11 VAL 26 -2.855 -10.911 -14.374 204 HG12 VAL 26 HG12 VAL 26 -4.451 -10.600 -13.689 205 HG13 VAL 26 HG13 VAL 26 -3.010 -10.411 -12.689 206 HG21 VAL 26 HG21 VAL 26 -2.872 -9.645 -16.039 207 HG22 VAL 26 HG22 VAL 26 -2.579 -7.912 -15.890 208 HG23 VAL 26 HG23 VAL 26 -4.230 -8.520 -16.014 209 H LYS 27 HN LYS 27 -2.765 -6.938 -12.065 210 HA LYS 27 HA LYS 27 -3.630 -8.224 -9.613 211 HB2 LYS 27 HB2 LYS 27 -1.280 -6.568 -10.429 212 HB3 LYS 27 HB1 LYS 27 -1.679 -6.691 -8.721 213 HG2 LYS 27 HG2 LYS 27 -1.052 -8.970 -10.585 214 HG3 LYS 27 HG1 LYS 27 -0.019 -8.338 -9.301 215 HD2 LYS 27 HD2 LYS 27 -1.928 -8.906 -7.711 216 HD3 LYS 27 HD1 LYS 27 -2.616 -9.831 -9.047 217 HE2 LYS 27 HE2 LYS 27 -1.372 -11.358 -7.725 218 HE3 LYS 27 HE1 LYS 27 -0.429 -11.060 -9.184 219 HZ1 LYS 27 HZ1 LYS 27 0.102 -9.377 -6.854 220 HZ2 LYS 27 HZ2 LYS 27 1.166 -9.947 -8.039 221 HZ3 LYS 27 HZ3 LYS 27 0.648 -10.977 -6.802 222 H ARG 28 HN ARG 28 -3.832 -5.118 -11.163 223 HA ARG 28 HA ARG 28 -4.575 -3.639 -8.836 224 HB2 ARG 28 HB2 ARG 28 -3.572 -2.645 -10.882 225 HB3 ARG 28 HB1 ARG 28 -5.084 -2.950 -11.723 226 HG2 ARG 28 HG2 ARG 28 -5.357 -1.513 -9.197 227 HG3 ARG 28 HG1 ARG 28 -4.424 -0.667 -10.428 228 HD2 ARG 28 HD2 ARG 28 -7.068 -1.918 -11.049 229 HD3 ARG 28 HD1 ARG 28 -6.937 -0.313 -10.352 230 HE ARG 28 HE ARG 28 -5.350 -0.700 -12.718 231 HH11 ARG 28 HH11 ARG 28 -8.468 0.254 -11.471 232 HH12 ARG 28 HH12 ARG 28 -8.880 1.186 -12.870 233 HH21 ARG 28 HH21 ARG 28 -5.892 0.525 -14.558 234 HH22 ARG 28 HH22 ARG 28 -7.419 1.340 -14.623 235 H LYS 29 HN LYS 29 -6.286 -5.728 -10.960 236 HA LYS 29 HA LYS 29 -8.829 -4.803 -11.082 237 HB2 LYS 29 HB2 LYS 29 -7.631 -7.493 -10.882 238 HB3 LYS 29 HB1 LYS 29 -9.349 -7.396 -10.518 239 HG2 LYS 29 HG2 LYS 29 -9.902 -7.079 -12.654 240 HG3 LYS 29 HG1 LYS 29 -8.582 -5.943 -12.929 241 HD2 LYS 29 HD2 LYS 29 -7.049 -7.671 -13.358 242 HD3 LYS 29 HD1 LYS 29 -8.118 -8.900 -12.685 243 HE2 LYS 29 HE2 LYS 29 -9.258 -9.132 -14.606 244 HE3 LYS 29 HE1 LYS 29 -9.263 -7.397 -14.924 245 HZ1 LYS 29 HZ1 LYS 29 -7.842 -7.940 -16.544 246 HZ2 LYS 29 HZ2 LYS 29 -7.452 -9.438 -15.864 247 HZ3 LYS 29 HZ3 LYS 29 -6.682 -8.036 -15.315 248 H LEU 30 HN LEU 30 -7.423 -6.544 -8.319 249 HA LEU 30 HA LEU 30 -9.766 -5.816 -6.715 250 HB2 LEU 30 HB2 LEU 30 -7.541 -7.627 -5.831 251 HB3 LEU 30 HB1 LEU 30 -9.192 -7.559 -5.247 252 HG LEU 30 HG LEU 30 -9.004 -8.257 -8.083 253 HD11 LEU 30 HD11 LEU 30 -8.394 -10.686 -6.819 254 HD12 LEU 30 HD12 LEU 30 -7.183 -9.528 -6.271 255 HD13 LEU 30 HD13 LEU 30 -7.422 -9.804 -7.996 256 HD21 LEU 30 HD21 LEU 30 -10.546 -8.968 -5.676 257 HD22 LEU 30 HD22 LEU 30 -10.350 -10.249 -6.872 258 HD23 LEU 30 HD23 LEU 30 -11.080 -8.713 -7.338 259 H ALA 31 HN ALA 31 -6.320 -5.376 -6.998 260 HA ALA 31 HA ALA 31 -5.908 -4.143 -4.471 261 HB1 ALA 31 HB1 ALA 31 -3.723 -3.735 -5.177 262 HB2 ALA 31 HB2 ALA 31 -4.187 -3.660 -6.877 263 HB3 ALA 31 HB3 ALA 31 -4.176 -5.209 -6.033 264 H ALA 32 HN ALA 32 -7.406 -3.051 -7.322 265 HA ALA 32 HA ALA 32 -6.676 -0.386 -7.486 266 HB1 ALA 32 HB1 ALA 32 -9.379 -1.613 -7.999 267 HB2 ALA 32 HB2 ALA 32 -8.064 -1.434 -9.159 268 HB3 ALA 32 HB3 ALA 32 -8.877 -0.006 -8.523 269 H HIS 33 HN HIS 33 -9.268 -1.812 -5.475 270 HA HIS 33 HA HIS 33 -8.984 -0.294 -3.250 271 HB2 HIS 33 HB2 HIS 33 -9.409 1.831 -3.837 272 HB3 HIS 33 HB1 HIS 33 -9.999 1.348 -5.420 273 HD1 HIS 33 HD1 HIS 33 -12.303 2.117 -5.803 274 HD2 HIS 33 HD2 HIS 33 -11.634 1.229 -1.799 275 HE1 HIS 33 HE1 HIS 33 -14.476 2.603 -4.635 276 HE2 HIS 33 HE2 HIS 33 -14.022 2.139 -2.201 277 H ASP 34 HN ASP 34 -11.624 -1.060 -5.494 278 HA ASP 34 HA ASP 34 -13.641 -1.487 -3.663 279 HB2 ASP 34 HB2 ASP 34 -13.493 -1.624 -6.347 280 HB3 ASP 34 HB1 ASP 34 -13.564 -3.343 -5.972 281 H ASN 35 HN ASN 35 -11.508 -3.991 -5.054 282 HA ASN 35 HA ASN 35 -12.270 -5.715 -2.824 283 HB2 ASN 35 HB2 ASN 35 -10.943 -6.626 -5.370 284 HB3 ASN 35 HB1 ASN 35 -11.773 -7.612 -4.172 285 HD21 ASN 35 HD21 ASN 35 -13.780 -8.162 -4.605 286 HD22 ASN 35 HD22 ASN 35 -14.827 -7.381 -5.735 287 H LEU 36 HN LEU 36 -10.435 -3.781 -2.229 288 HA LEU 36 HA LEU 36 -7.840 -5.153 -2.273 289 HB2 LEU 36 HB2 LEU 36 -7.824 -2.871 -3.121 290 HB3 LEU 36 HB1 LEU 36 -8.534 -2.289 -1.628 291 HG LEU 36 HG LEU 36 -5.961 -3.749 -1.405 292 HD11 LEU 36 HD11 LEU 36 -5.167 -2.486 -3.137 293 HD12 LEU 36 HD12 LEU 36 -4.915 -1.370 -1.795 294 HD13 LEU 36 HD13 LEU 36 -6.312 -1.175 -2.854 295 HD21 LEU 36 HD21 LEU 36 -5.809 -2.659 0.556 296 HD22 LEU 36 HD22 LEU 36 -7.542 -2.415 0.340 297 HD23 LEU 36 HD23 LEU 36 -6.409 -1.144 -0.119 298 H LYS 37 HN LYS 37 -7.286 -6.264 -0.539 299 HA LYS 37 HA LYS 37 -8.351 -5.439 2.082 300 HB2 LYS 37 HB2 LYS 37 -9.287 -7.566 1.538 301 HB3 LYS 37 HB1 LYS 37 -7.733 -8.186 1.006 302 HG2 LYS 37 HG2 LYS 37 -8.406 -9.090 3.180 303 HG3 LYS 37 HG1 LYS 37 -6.903 -8.171 3.274 304 HD2 LYS 37 HD2 LYS 37 -7.917 -7.214 5.050 305 HD3 LYS 37 HD1 LYS 37 -8.688 -6.223 3.811 306 HE2 LYS 37 HE2 LYS 37 -10.257 -7.187 5.503 307 HE3 LYS 37 HE1 LYS 37 -10.645 -7.580 3.829 308 HZ1 LYS 37 HZ1 LYS 37 -10.585 -9.399 5.725 309 HZ2 LYS 37 HZ2 LYS 37 -8.954 -9.463 5.283 310 HZ3 LYS 37 HZ3 LYS 37 -10.153 -9.756 4.128 311 H LEU 38 HN LEU 38 -6.900 -4.583 3.295 312 HA LEU 38 HA LEU 38 -4.082 -5.334 2.967 313 HB2 LEU 38 HB2 LEU 38 -5.151 -2.908 2.767 314 HB3 LEU 38 HB1 LEU 38 -4.986 -2.929 4.505 315 HG LEU 38 HG LEU 38 -2.702 -2.726 4.437 316 HD11 LEU 38 HD11 LEU 38 -2.829 -4.284 1.879 317 HD12 LEU 38 HD12 LEU 38 -1.971 -4.661 3.373 318 HD13 LEU 38 HD13 LEU 38 -1.378 -3.379 2.314 319 HD21 LEU 38 HD21 LEU 38 -2.197 -1.476 2.079 320 HD22 LEU 38 HD22 LEU 38 -2.974 -0.715 3.470 321 HD23 LEU 38 HD23 LEU 38 -3.957 -1.360 2.157 322 H THR 39 HN THR 39 -3.478 -6.833 4.436 323 HA THR 39 HA THR 39 -4.845 -6.875 7.023 324 HB THR 39 HB THR 39 -2.933 -8.962 5.998 325 HG1 THR 39 HG1 THR 39 -4.627 -8.640 4.480 326 HG21 THR 39 HG21 THR 39 -5.255 -9.150 7.899 327 HG22 THR 39 HG22 THR 39 -3.549 -9.156 8.347 328 HG23 THR 39 HG23 THR 39 -4.214 -10.478 7.387 329 H ILE 40 HN ILE 40 -3.835 -6.733 8.964 330 HA ILE 40 HA ILE 40 -0.974 -6.015 8.929 331 HB ILE 40 HB ILE 40 -2.663 -4.981 11.140 332 HG12 ILE 40 HG12 ILE 40 -4.051 -4.540 9.125 333 HG13 ILE 40 HG11 ILE 40 -3.462 -3.066 9.886 334 HG21 ILE 40 HG21 ILE 40 -1.149 -3.097 10.993 335 HG22 ILE 40 HG22 ILE 40 -0.464 -3.733 9.498 336 HG23 ILE 40 HG23 ILE 40 -0.236 -4.606 11.014 337 HD11 ILE 40 HD11 ILE 40 -3.371 -3.499 7.262 338 HD12 ILE 40 HD12 ILE 40 -1.807 -4.178 7.714 339 HD13 ILE 40 HD13 ILE 40 -2.191 -2.503 8.115 340 H THR 41 HN THR 41 0.325 -7.080 10.335 341 HA THR 41 HA THR 41 -0.898 -8.588 12.527 342 HB THR 41 HB THR 41 0.995 -9.791 10.499 343 HG1 THR 41 HG1 THR 41 -1.691 -10.477 11.078 344 HG21 THR 41 HG21 THR 41 1.568 -11.015 12.324 345 HG22 THR 41 HG22 THR 41 0.147 -11.917 11.796 346 HG23 THR 41 HG23 THR 41 0.016 -10.762 13.123 347 H GLN 42 HN GLN 42 0.554 -9.176 14.211 348 HA GLN 42 HA GLN 42 2.758 -7.302 14.485 349 HB2 GLN 42 HB2 GLN 42 0.969 -7.890 16.280 350 HB3 GLN 42 HB1 GLN 42 1.958 -9.314 16.564 351 HG2 GLN 42 HG2 GLN 42 2.447 -7.456 18.106 352 HG3 GLN 42 HG1 GLN 42 3.844 -7.961 17.157 353 HE21 GLN 42 HE21 GLN 42 4.663 -6.594 15.583 354 HE22 GLN 42 HE22 GLN 42 4.232 -4.923 15.492 355 H GLU 43 HN GLU 43 4.783 -7.827 14.017 356 HA GLU 43 HA GLU 43 5.689 -10.579 14.426 357 HB2 GLU 43 HB2 GLU 43 5.049 -9.703 11.925 358 HB3 GLU 43 HB1 GLU 43 6.753 -9.291 12.023 359 HG2 GLU 43 HG2 GLU 43 7.362 -11.555 12.426 360 HG3 GLU 43 HG1 GLU 43 5.676 -12.027 12.628 361 H GLY 44 HN GLY 44 6.158 -8.408 16.035 362 HA2 GLY 44 HA2 GLY 44 7.990 -7.698 17.253 363 HA3 GLY 44 HA1 GLY 44 9.039 -8.368 16.021 364 H ASN 45 HN ASN 45 10.294 -6.796 15.154 365 HA ASN 45 HA ASN 45 9.449 -4.047 15.220 366 HB2 ASN 45 HB2 ASN 45 11.644 -3.763 13.857 367 HB3 ASN 45 HB1 ASN 45 11.747 -4.224 15.548 368 HD21 ASN 45 HD21 ASN 45 13.887 -4.960 14.902 369 HD22 ASN 45 HD22 ASN 45 14.059 -6.539 14.222 370 H LYS 46 HN LYS 46 8.560 -6.505 13.261 371 HA LYS 46 HA LYS 46 8.168 -4.652 11.021 372 HB2 LYS 46 HB2 LYS 46 8.878 -6.143 9.421 373 HB3 LYS 46 HB1 LYS 46 9.964 -6.538 10.742 374 HG2 LYS 46 HG2 LYS 46 8.288 -8.349 11.338 375 HG3 LYS 46 HG1 LYS 46 7.591 -8.053 9.750 376 HD2 LYS 46 HD2 LYS 46 9.909 -8.368 8.808 377 HD3 LYS 46 HD1 LYS 46 10.384 -8.961 10.403 378 HE2 LYS 46 HE2 LYS 46 7.971 -10.233 9.528 379 HE3 LYS 46 HE1 LYS 46 9.228 -10.399 8.306 380 HZ1 LYS 46 HZ1 LYS 46 9.459 -11.166 11.165 381 HZ2 LYS 46 HZ2 LYS 46 10.706 -11.275 10.027 382 HZ3 LYS 46 HZ3 LYS 46 9.319 -12.229 9.856 383 H PHE 47 HN PHE 47 6.379 -5.060 9.685 384 HA PHE 47 HA PHE 47 4.181 -6.391 11.113 385 HB2 PHE 47 HB2 PHE 47 4.061 -4.166 9.084 386 HB3 PHE 47 HB1 PHE 47 2.717 -4.794 10.021 387 HD1 PHE 47 HD1 PHE 47 3.266 -4.782 12.679 388 HD2 PHE 47 HD2 PHE 47 4.947 -2.192 9.753 389 HE1 PHE 47 HE1 PHE 47 3.797 -3.139 14.434 390 HE2 PHE 47 HE2 PHE 47 5.471 -0.549 11.502 391 HZ PHE 47 HZ PHE 47 4.898 -1.023 13.849 392 H THR 48 HN THR 48 3.034 -7.961 10.139 393 HA THR 48 HA THR 48 3.910 -8.864 7.517 394 HB THR 48 HB THR 48 1.703 -10.346 8.726 395 HG1 THR 48 HG1 THR 48 4.114 -10.113 10.200 396 HG21 THR 48 HG21 THR 48 4.265 -10.890 7.442 397 HG22 THR 48 HG22 THR 48 2.754 -11.799 7.406 398 HG23 THR 48 HG23 THR 48 3.868 -11.994 8.759 399 H VAL 49 HN VAL 49 2.920 -8.242 5.719 400 HA VAL 49 HA VAL 49 0.145 -7.289 5.906 401 HB VAL 49 HB VAL 49 1.191 -6.579 3.377 402 HG11 VAL 49 HG11 VAL 49 -0.502 -5.343 4.574 403 HG12 VAL 49 HG12 VAL 49 0.865 -4.287 4.218 404 HG13 VAL 49 HG13 VAL 49 0.652 -4.935 5.845 405 HG21 VAL 49 HG21 VAL 49 3.072 -5.074 4.172 406 HG22 VAL 49 HG22 VAL 49 3.436 -6.791 4.056 407 HG23 VAL 49 HG23 VAL 49 3.117 -6.068 5.627 408 H LYS 50 HN LYS 50 -1.398 -8.431 4.996 409 HA LYS 50 HA LYS 50 -0.676 -10.357 2.885 410 HB2 LYS 50 HB2 LYS 50 -1.576 -11.026 5.384 411 HB3 LYS 50 HB1 LYS 50 -3.074 -10.987 4.464 412 HG2 LYS 50 HG2 LYS 50 -2.160 -12.581 2.873 413 HG3 LYS 50 HG1 LYS 50 -0.630 -12.595 3.752 414 HD2 LYS 50 HD2 LYS 50 -1.638 -13.602 5.656 415 HD3 LYS 50 HD1 LYS 50 -3.261 -13.345 5.011 416 HE2 LYS 50 HE2 LYS 50 -2.671 -14.868 3.125 417 HE3 LYS 50 HE1 LYS 50 -1.149 -15.214 3.946 418 HZ1 LYS 50 HZ1 LYS 50 -2.181 -16.427 5.549 419 HZ2 LYS 50 HZ2 LYS 50 -3.261 -16.714 4.280 420 HZ3 LYS 50 HZ3 LYS 50 -3.630 -15.558 5.458 421 H GLU 51 HN GLU 51 -1.536 -9.775 1.004 422 HA GLU 51 HA GLU 51 -3.826 -8.003 0.933 423 HB2 GLU 51 HB2 GLU 51 -1.601 -8.327 -0.680 424 HB3 GLU 51 HB1 GLU 51 -2.902 -9.017 -1.642 425 HG2 GLU 51 HG2 GLU 51 -3.845 -7.024 -2.029 426 HG3 GLU 51 HG1 GLU 51 -3.540 -6.445 -0.392 427 H SER 52 HN SER 52 -5.829 -8.741 0.925 428 HA SER 52 HA SER 52 -6.335 -11.454 -0.081 429 HB2 SER 52 HB2 SER 52 -7.010 -10.446 2.331 430 HB3 SER 52 HB1 SER 52 -8.459 -10.031 1.417 431 HG SER 52 HG SER 52 -7.474 -12.512 2.164 432 H SER 53 HN SER 53 -7.951 -11.861 -1.557 433 HA SER 53 HA SER 53 -9.529 -9.664 -2.611 434 HB2 SER 53 HB2 SER 53 -8.177 -11.187 -4.747 435 HB3 SER 53 HB1 SER 53 -8.547 -9.466 -4.646 436 HG SER 53 HG SER 53 -6.217 -10.463 -4.403 437 H ALA 54 HN ALA 54 -10.567 -10.782 -4.839 438 HA ALA 54 HA ALA 54 -12.298 -12.788 -3.759 439 HB1 ALA 54 HB1 ALA 54 -12.139 -11.225 -6.267 440 HB2 ALA 54 HB2 ALA 54 -13.508 -11.515 -5.194 441 HB3 ALA 54 HB3 ALA 54 -13.002 -12.762 -6.334 442 H PHE 55 HN PHE 55 -10.157 -12.784 -6.617 443 HA PHE 55 HA PHE 55 -9.884 -15.700 -6.289 444 HB2 PHE 55 HB2 PHE 55 -9.334 -15.691 -8.758 445 HB3 PHE 55 HB1 PHE 55 -10.999 -15.289 -8.352 446 HD1 PHE 55 HD2 PHE 55 -11.747 -12.921 -8.443 447 HD2 PHE 55 HD1 PHE 55 -7.935 -14.155 -9.878 448 HE1 PHE 55 HE2 PHE 55 -11.556 -10.828 -9.723 449 HE2 PHE 55 HE1 PHE 55 -7.737 -12.064 -11.160 450 HZ PHE 55 HZ PHE 55 -9.549 -10.398 -11.083 451 H ARG 56 HN ARG 56 -8.222 -12.668 -6.653 452 HA ARG 56 HA ARG 56 -5.635 -13.977 -6.958 453 HB2 ARG 56 HB2 ARG 56 -6.576 -11.664 -7.996 454 HB3 ARG 56 HB1 ARG 56 -5.768 -11.048 -6.561 455 HG2 ARG 56 HG2 ARG 56 -3.975 -10.982 -7.902 456 HG3 ARG 56 HG1 ARG 56 -3.863 -12.702 -7.524 457 HD2 ARG 56 HD2 ARG 56 -5.492 -12.938 -9.564 458 HD3 ARG 56 HD1 ARG 56 -4.843 -11.357 -10.000 459 HE ARG 56 HE ARG 56 -2.857 -12.358 -10.555 460 HH11 ARG 56 HH11 ARG 56 -4.793 -14.610 -8.721 461 HH12 ARG 56 HH12 ARG 56 -3.735 -15.949 -9.013 462 HH21 ARG 56 HH21 ARG 56 -1.465 -14.118 -10.940 463 HH22 ARG 56 HH22 ARG 56 -1.845 -15.671 -10.272 464 H ASN 57 HN ASN 57 -3.923 -13.721 -5.481 465 HA ASN 57 HA ASN 57 -4.573 -12.607 -2.857 466 HB2 ASN 57 HB2 ASN 57 -5.114 -15.067 -2.862 467 HB3 ASN 57 HB1 ASN 57 -3.407 -15.378 -3.160 468 HD21 ASN 57 HD21 ASN 57 -2.067 -15.479 -1.484 469 HD22 ASN 57 HD22 ASN 57 -2.474 -15.070 0.145 470 H ILE 58 HN ILE 58 -2.879 -11.659 -1.852 471 HA ILE 58 HA ILE 58 -0.168 -12.178 -2.830 472 HB ILE 58 HB ILE 58 -1.099 -9.349 -2.406 473 HG12 ILE 58 HG12 ILE 58 -0.832 -9.503 -5.096 474 HG13 ILE 58 HG11 ILE 58 -1.482 -11.104 -4.759 475 HG21 ILE 58 HG21 ILE 58 0.906 -8.982 -3.956 476 HG22 ILE 58 HG22 ILE 58 1.322 -10.656 -3.592 477 HG23 ILE 58 HG23 ILE 58 1.227 -9.468 -2.292 478 HD11 ILE 58 HD11 ILE 58 -2.808 -8.686 -3.620 479 HD12 ILE 58 HD12 ILE 58 -3.490 -10.268 -3.997 480 HD13 ILE 58 HD13 ILE 58 -3.087 -9.148 -5.299 481 H GLU 59 HN GLU 59 1.506 -11.308 -1.371 482 HA GLU 59 HA GLU 59 0.666 -10.534 1.285 483 HB2 GLU 59 HB2 GLU 59 0.461 -12.968 1.387 484 HB3 GLU 59 HB1 GLU 59 2.115 -13.144 0.817 485 HG2 GLU 59 HG2 GLU 59 3.003 -12.282 2.821 486 HG3 GLU 59 HG1 GLU 59 1.429 -11.691 3.351 487 H VAL 60 HN VAL 60 2.513 -10.066 2.708 488 HA VAL 60 HA VAL 60 5.175 -9.993 1.840 489 HB VAL 60 HB VAL 60 4.269 -8.370 0.183 490 HG11 VAL 60 HG11 VAL 60 3.080 -6.530 0.713 491 HG12 VAL 60 HG12 VAL 60 3.971 -6.252 2.210 492 HG13 VAL 60 HG13 VAL 60 2.684 -7.458 2.159 493 HG21 VAL 60 HG21 VAL 60 6.618 -8.290 1.057 494 HG22 VAL 60 HG22 VAL 60 6.093 -7.020 2.161 495 HG23 VAL 60 HG23 VAL 60 6.009 -6.763 0.420 496 H VAL 61 HN VAL 61 6.528 -8.544 3.249 497 HA VAL 61 HA VAL 61 5.215 -7.820 5.772 498 HB VAL 61 HB VAL 61 6.170 -10.074 6.036 499 HG11 VAL 61 HG11 VAL 61 8.949 -9.096 5.914 500 HG12 VAL 61 HG12 VAL 61 8.127 -9.308 4.369 501 HG13 VAL 61 HG13 VAL 61 8.276 -10.667 5.482 502 HG21 VAL 61 HG21 VAL 61 8.077 -8.646 7.690 503 HG22 VAL 61 HG22 VAL 61 6.663 -9.592 8.155 504 HG23 VAL 61 HG23 VAL 61 6.483 -7.897 7.709 505 H PHE 62 HN PHE 62 6.229 -6.104 6.915 506 HA PHE 62 HA PHE 62 8.639 -5.004 5.664 507 HB2 PHE 62 HB2 PHE 62 7.465 -2.655 6.167 508 HB3 PHE 62 HB1 PHE 62 7.379 -3.455 4.609 509 HD1 PHE 62 HD2 PHE 62 5.422 -4.621 7.496 510 HD2 PHE 62 HD1 PHE 62 5.416 -2.308 3.935 511 HE1 PHE 62 HE2 PHE 62 2.966 -4.489 7.591 512 HE2 PHE 62 HE1 PHE 62 2.964 -2.161 4.026 513 HZ PHE 62 HZ PHE 62 1.735 -3.254 5.857 514 H GLU 63 HN GLU 63 10.106 -4.355 6.991 515 HA GLU 63 HA GLU 63 9.457 -4.264 9.848 516 HB2 GLU 63 HB2 GLU 63 11.123 -5.940 8.861 517 HB3 GLU 63 HB1 GLU 63 12.189 -4.564 8.641 518 HG2 GLU 63 HG2 GLU 63 11.157 -4.617 11.321 519 HG3 GLU 63 HG1 GLU 63 11.895 -6.165 10.908 520 H LEU 64 HN LEU 64 9.949 -2.545 11.093 521 HA LEU 64 HA LEU 64 10.174 -0.019 9.900 522 HB2 LEU 64 HB2 LEU 64 10.899 -0.752 12.731 523 HB3 LEU 64 HB1 LEU 64 10.447 0.839 12.145 524 HG LEU 64 HG LEU 64 8.682 -1.577 12.528 525 HD11 LEU 64 HD11 LEU 64 9.186 -0.005 14.426 526 HD12 LEU 64 HD12 LEU 64 7.478 -0.177 14.023 527 HD13 LEU 64 HD13 LEU 64 8.366 1.257 13.505 528 HD21 LEU 64 HD21 LEU 64 7.464 -0.954 10.778 529 HD22 LEU 64 HD22 LEU 64 8.429 0.503 10.533 530 HD23 LEU 64 HD23 LEU 64 7.076 0.519 11.663 531 H GLY 65 HN GLY 65 11.886 0.399 8.636 532 HA2 GLY 65 HA2 GLY 65 14.086 1.391 8.624 533 HA3 GLY 65 HA1 GLY 65 14.545 0.278 9.905 534 H VAL 66 HN VAL 66 12.644 -1.102 7.447 535 HA VAL 66 HA VAL 66 15.008 -2.076 5.999 536 HB VAL 66 HB VAL 66 12.715 -3.838 6.871 537 HG11 VAL 66 HG11 VAL 66 13.451 -4.979 5.066 538 HG12 VAL 66 HG12 VAL 66 14.711 -5.508 6.181 539 HG13 VAL 66 HG13 VAL 66 15.022 -4.177 5.066 540 HG21 VAL 66 HG21 VAL 66 14.137 -4.786 8.509 541 HG22 VAL 66 HG22 VAL 66 14.260 -3.037 8.708 542 HG23 VAL 66 HG23 VAL 66 15.545 -3.924 7.888 543 H THR 67 HN THR 67 14.725 -2.494 3.868 544 HA THR 67 HA THR 67 12.879 -0.970 2.478 545 HB THR 67 HB THR 67 14.747 -3.178 1.742 546 HG1 THR 67 HG1 THR 67 15.574 -1.106 2.012 547 HG21 THR 67 HG21 THR 67 12.913 -1.817 -0.228 548 HG22 THR 67 HG22 THR 67 12.887 -3.527 0.205 549 HG23 THR 67 HG23 THR 67 14.285 -2.851 -0.631 550 H PHE 68 HN PHE 68 11.190 -1.549 1.069 551 HA PHE 68 HA PHE 68 9.555 -3.782 2.027 552 HB2 PHE 68 HB2 PHE 68 8.776 -1.294 1.962 553 HB3 PHE 68 HB1 PHE 68 8.573 -1.584 0.241 554 HD1 PHE 68 HD1 PHE 68 7.924 -4.366 2.510 555 HD2 PHE 68 HD2 PHE 68 6.231 -1.026 0.516 556 HE1 PHE 68 HE1 PHE 68 5.674 -5.264 2.918 557 HE2 PHE 68 HE2 PHE 68 3.974 -1.911 0.899 558 HZ PHE 68 HZ PHE 68 3.692 -4.044 2.109 559 H ASN 69 HN ASN 69 8.370 -5.034 0.387 560 HA ASN 69 HA ASN 69 9.708 -5.011 -2.235 561 HB2 ASN 69 HB2 ASN 69 9.382 -7.267 -0.315 562 HB3 ASN 69 HB1 ASN 69 9.274 -7.622 -2.037 563 HD21 ASN 69 HD21 ASN 69 11.304 -5.793 0.227 564 HD22 ASN 69 HD22 ASN 69 12.808 -6.239 -0.497 565 H TYR 70 HN TYR 70 8.311 -4.686 -3.805 566 HA TYR 70 HA TYR 70 5.721 -6.043 -3.708 567 HB2 TYR 70 HB2 TYR 70 6.107 -3.187 -3.464 568 HB3 TYR 70 HB1 TYR 70 5.175 -3.563 -4.909 569 HD1 TYR 70 HD1 TYR 70 3.529 -5.794 -4.188 570 HD2 TYR 70 HD2 TYR 70 4.673 -2.463 -1.804 571 HE1 TYR 70 HE1 TYR 70 1.514 -6.094 -2.812 572 HE2 TYR 70 HE2 TYR 70 2.661 -2.752 -0.421 573 HH TYR 70 HH TYR 70 0.057 -4.517 -1.311 574 H ASN 71 HN ASN 71 7.790 -6.984 -5.115 575 HA ASN 71 HA ASN 71 7.758 -5.966 -7.821 576 HB2 ASN 71 HB2 ASN 71 9.375 -7.745 -8.286 577 HB3 ASN 71 HB1 ASN 71 9.842 -6.840 -6.849 578 HD21 ASN 71 HD21 ASN 71 10.846 -9.344 -7.380 579 HD22 ASN 71 HD22 ASN 71 10.243 -10.463 -6.210 580 H LEU 72 HN LEU 72 6.467 -6.626 -9.405 581 HA LEU 72 HA LEU 72 5.402 -9.314 -9.456 582 HB2 LEU 72 HB2 LEU 72 3.608 -6.905 -9.173 583 HB3 LEU 72 HB1 LEU 72 3.046 -8.475 -9.715 584 HG LEU 72 HG LEU 72 4.327 -7.972 -7.029 585 HD11 LEU 72 HD11 LEU 72 2.351 -6.876 -6.727 586 HD12 LEU 72 HD12 LEU 72 1.834 -8.524 -6.372 587 HD13 LEU 72 HD13 LEU 72 1.509 -7.820 -7.956 588 HD21 LEU 72 HD21 LEU 72 4.638 -10.228 -7.511 589 HD22 LEU 72 HD22 LEU 72 3.094 -10.360 -8.353 590 HD23 LEU 72 HD23 LEU 72 3.130 -10.210 -6.596 591 H ALA 73 HN ALA 73 6.077 -9.814 -11.448 592 HA ALA 73 HA ALA 73 6.487 -8.098 -13.584 593 HB1 ALA 73 HB1 ALA 73 6.942 -9.960 -14.837 594 HB2 ALA 73 HB2 ALA 73 5.615 -10.889 -14.140 595 HB3 ALA 73 HB3 ALA 73 7.091 -10.628 -13.212 596 H ASP 74 HN ASP 74 3.539 -9.556 -12.447 597 HA ASP 74 HA ASP 74 1.958 -9.343 -14.743 598 HB2 ASP 74 HB2 ASP 74 0.039 -9.185 -13.076 599 HB3 ASP 74 HB1 ASP 74 1.088 -10.592 -12.923 600 H GLY 75 HN GLY 75 2.959 -6.945 -12.402 601 HA2 GLY 75 HA2 GLY 75 1.579 -4.901 -14.023 602 HA3 GLY 75 HA1 GLY 75 1.547 -4.841 -12.268 603 H THR 76 HN THR 76 3.706 -4.730 -11.190 604 HA THR 76 HA THR 76 5.908 -3.733 -12.748 605 HB THR 76 HB THR 76 4.331 -1.788 -12.516 606 HG1 THR 76 HG1 THR 76 6.105 -0.711 -12.685 607 HG21 THR 76 HG21 THR 76 3.833 -2.470 -10.035 608 HG22 THR 76 HG22 THR 76 3.821 -0.781 -10.544 609 HG23 THR 76 HG23 THR 76 5.229 -1.442 -9.712 610 H GLU 77 HN GLU 77 7.362 -2.465 -10.826 611 HA GLU 77 HA GLU 77 7.420 -4.147 -8.451 612 HB2 GLU 77 HB2 GLU 77 8.808 -5.401 -9.994 613 HB3 GLU 77 HB1 GLU 77 9.721 -3.955 -10.403 614 HG2 GLU 77 HG2 GLU 77 10.787 -3.902 -8.319 615 HG3 GLU 77 HG1 GLU 77 9.632 -5.027 -7.606 616 H LEU 78 HN LEU 78 7.621 -2.807 -6.780 617 HA LEU 78 HA LEU 78 9.221 -0.363 -7.155 618 HB2 LEU 78 HB2 LEU 78 6.533 -0.777 -6.013 619 HB3 LEU 78 HB1 LEU 78 7.575 0.305 -5.111 620 HG LEU 78 HG LEU 78 7.806 1.093 -7.801 621 HD11 LEU 78 HD11 LEU 78 5.830 0.932 -8.808 622 HD12 LEU 78 HD12 LEU 78 4.965 1.439 -7.352 623 HD13 LEU 78 HD13 LEU 78 5.410 -0.257 -7.574 624 HD21 LEU 78 HD21 LEU 78 6.577 3.101 -6.990 625 HD22 LEU 78 HD22 LEU 78 7.978 2.644 -6.023 626 HD23 LEU 78 HD23 LEU 78 6.350 2.261 -5.458 627 H ARG 79 HN ARG 79 10.710 0.150 -5.688 628 HA ARG 79 HA ARG 79 11.144 -1.712 -3.442 629 HB2 ARG 79 HB2 ARG 79 12.860 -1.422 -5.369 630 HB3 ARG 79 HB1 ARG 79 13.225 0.119 -4.600 631 HG2 ARG 79 HG2 ARG 79 14.138 -0.879 -2.732 632 HG3 ARG 79 HG1 ARG 79 13.258 -2.388 -2.978 633 HD2 ARG 79 HD2 ARG 79 15.456 -2.916 -3.556 634 HD3 ARG 79 HD1 ARG 79 14.662 -2.638 -5.105 635 HE ARG 79 HE ARG 79 16.017 -0.822 -5.437 636 HH11 ARG 79 HH11 ARG 79 16.191 -1.765 -2.082 637 HH12 ARG 79 HH12 ARG 79 17.493 -0.684 -1.716 638 HH21 ARG 79 HH21 ARG 79 17.730 0.600 -4.958 639 HH22 ARG 79 HH22 ARG 79 18.367 0.659 -3.349 640 H GLY 80 HN GLY 80 10.861 -0.868 -1.426 641 HA2 GLY 80 HA2 GLY 80 11.466 1.970 -1.050 642 HA3 GLY 80 HA1 GLY 80 9.834 1.434 -0.705 643 H THR 81 HN THR 81 10.137 2.230 1.396 644 HA THR 81 HA THR 81 11.194 0.229 3.204 645 HB THR 81 HB THR 81 12.259 2.217 4.543 646 HG1 THR 81 HG1 THR 81 12.920 3.900 3.334 647 HG21 THR 81 HG21 THR 81 14.410 1.993 3.240 648 HG22 THR 81 HG22 THR 81 13.525 0.914 2.161 649 HG23 THR 81 HG23 THR 81 13.705 0.503 3.867 650 H TRP 82 HN TRP 82 10.041 0.141 5.084 651 HA TRP 82 HA TRP 82 7.859 2.119 5.382 652 HB2 TRP 82 HB2 TRP 82 7.837 -0.721 5.276 653 HB3 TRP 82 HB1 TRP 82 7.449 -0.278 6.934 654 HD1 TRP 82 HD1 TRP 82 6.320 1.479 3.666 655 HE1 TRP 82 HE1 TRP 82 3.746 1.552 3.660 656 HE3 TRP 82 HE3 TRP 82 5.427 -1.141 7.964 657 HZ2 TRP 82 HZ2 TRP 82 1.619 0.619 5.267 658 HZ3 TRP 82 HZ3 TRP 82 3.096 -1.508 8.658 659 HH2 TRP 82 HH2 TRP 82 1.232 -0.646 7.337 660 H SER 83 HN SER 83 7.502 3.057 7.366 661 HA SER 83 HA SER 83 9.002 2.222 9.693 662 HB2 SER 83 HB2 SER 83 9.863 4.458 8.027 663 HB3 SER 83 HB1 SER 83 9.562 4.942 9.696 664 HG SER 83 HG SER 83 11.631 4.240 9.679 665 H LEU 84 HN LEU 84 8.113 2.954 11.611 666 HA LEU 84 HA LEU 84 5.583 4.426 11.311 667 HB2 LEU 84 HB2 LEU 84 6.170 1.980 12.595 668 HB3 LEU 84 HB1 LEU 84 5.803 3.137 13.856 669 HG LEU 84 HG LEU 84 3.912 3.170 11.616 670 HD11 LEU 84 HD11 LEU 84 2.760 1.107 12.559 671 HD12 LEU 84 HD12 LEU 84 4.318 0.709 13.280 672 HD13 LEU 84 HD13 LEU 84 4.166 0.842 11.529 673 HD21 LEU 84 HD21 LEU 84 3.037 4.367 13.311 674 HD22 LEU 84 HD22 LEU 84 3.957 3.498 14.539 675 HD23 LEU 84 HD23 LEU 84 2.484 2.790 13.877 676 H GLU 85 HN GLU 85 5.397 6.331 12.224 677 HA GLU 85 HA GLU 85 7.431 7.147 14.190 678 HB2 GLU 85 HB2 GLU 85 6.105 8.592 11.935 679 HB3 GLU 85 HB1 GLU 85 6.575 9.515 13.355 680 HG2 GLU 85 HG2 GLU 85 8.826 8.045 12.827 681 HG3 GLU 85 HG1 GLU 85 8.205 8.401 11.215 682 H GLY 86 HN GLY 86 6.345 6.581 16.053 683 HA2 GLY 86 HA2 GLY 86 4.934 6.970 17.832 684 HA3 GLY 86 HA1 GLY 86 4.377 8.410 16.995 685 H ASN 87 HN ASN 87 2.457 8.380 15.976 686 HA ASN 87 HA ASN 87 0.993 5.827 15.997 687 HB2 ASN 87 HB2 ASN 87 -0.196 8.602 16.167 688 HB3 ASN 87 HB1 ASN 87 -1.053 7.073 16.336 689 HD21 ASN 87 HD21 ASN 87 0.523 9.552 17.939 690 HD22 ASN 87 HD22 ASN 87 0.649 8.815 19.497 691 H LYS 88 HN LYS 88 2.699 7.164 13.861 692 HA LYS 88 HA LYS 88 0.645 7.146 11.749 693 HB2 LYS 88 HB2 LYS 88 3.143 8.843 11.854 694 HB3 LYS 88 HB1 LYS 88 2.022 8.770 10.502 695 HG2 LYS 88 HG2 LYS 88 0.512 10.100 11.506 696 HG3 LYS 88 HG1 LYS 88 0.820 9.422 13.106 697 HD2 LYS 88 HD2 LYS 88 2.672 11.321 11.670 698 HD3 LYS 88 HD1 LYS 88 1.485 11.809 12.882 699 HE2 LYS 88 HE2 LYS 88 2.757 9.855 14.227 700 HE3 LYS 88 HE1 LYS 88 4.073 10.424 13.200 701 HZ1 LYS 88 HZ1 LYS 88 4.064 12.484 14.176 702 HZ2 LYS 88 HZ2 LYS 88 3.648 11.517 15.500 703 HZ3 LYS 88 HZ3 LYS 88 2.451 12.381 14.676 704 H LEU 89 HN LEU 89 1.163 6.191 9.797 705 HA LEU 89 HA LEU 89 3.493 4.383 9.861 706 HB2 LEU 89 HB2 LEU 89 0.755 4.212 8.670 707 HB3 LEU 89 HB1 LEU 89 2.060 3.321 7.916 708 HG LEU 89 HG LEU 89 0.601 2.072 9.575 709 HD11 LEU 89 HD11 LEU 89 3.573 2.113 10.038 710 HD12 LEU 89 HD12 LEU 89 2.738 1.237 8.758 711 HD13 LEU 89 HD13 LEU 89 2.472 0.797 10.444 712 HD21 LEU 89 HD21 LEU 89 0.410 3.694 11.317 713 HD22 LEU 89 HD22 LEU 89 2.159 3.795 11.489 714 HD23 LEU 89 HD23 LEU 89 1.313 2.319 11.952 715 H ILE 90 HN ILE 90 5.096 4.703 8.398 716 HA ILE 90 HA ILE 90 4.443 6.278 6.006 717 HB ILE 90 HB ILE 90 7.198 6.668 6.814 718 HG12 ILE 90 HG12 ILE 90 6.191 6.515 9.084 719 HG13 ILE 90 HG11 ILE 90 6.826 8.116 8.721 720 HG21 ILE 90 HG21 ILE 90 6.718 8.940 6.237 721 HG22 ILE 90 HG22 ILE 90 4.981 8.655 6.352 722 HG23 ILE 90 HG23 ILE 90 5.915 7.893 5.064 723 HD11 ILE 90 HD11 ILE 90 4.175 7.323 9.468 724 HD12 ILE 90 HD12 ILE 90 4.156 8.187 7.930 725 HD13 ILE 90 HD13 ILE 90 4.878 8.936 9.355 726 H GLY 91 HN GLY 91 5.270 5.656 4.146 727 HA2 GLY 91 HA2 GLY 91 7.381 3.647 4.037 728 HA3 GLY 91 HA1 GLY 91 5.844 3.287 3.257 729 H LYS 92 HN LYS 92 8.465 3.597 1.966 730 HA LYS 92 HA LYS 92 7.655 5.622 0.035 731 HB2 LYS 92 HB2 LYS 92 10.273 5.627 1.528 732 HB3 LYS 92 HB1 LYS 92 10.068 6.446 -0.009 733 HG2 LYS 92 HG2 LYS 92 9.313 8.223 1.067 734 HG3 LYS 92 HG1 LYS 92 7.933 7.277 1.622 735 HD2 LYS 92 HD2 LYS 92 10.602 7.528 3.011 736 HD3 LYS 92 HD1 LYS 92 9.092 8.295 3.507 737 HE2 LYS 92 HE2 LYS 92 8.107 6.208 4.048 738 HE3 LYS 92 HE1 LYS 92 9.406 5.313 3.262 739 HZ1 LYS 92 HZ1 LYS 92 9.751 7.012 5.672 740 HZ2 LYS 92 HZ2 LYS 92 10.927 6.031 4.955 741 HZ3 LYS 92 HZ3 LYS 92 9.580 5.329 5.699 742 H PHE 93 HN PHE 93 7.675 4.630 -1.895 743 HA PHE 93 HA PHE 93 9.531 2.396 -2.324 744 HB2 PHE 93 HB2 PHE 93 7.107 3.218 -3.931 745 HB3 PHE 93 HB1 PHE 93 8.161 1.870 -4.296 746 HD1 PHE 93 HD2 PHE 93 5.585 3.107 -1.966 747 HD2 PHE 93 HD1 PHE 93 8.010 -0.187 -3.176 748 HE1 PHE 93 HE2 PHE 93 4.184 1.595 -0.646 749 HE2 PHE 93 HE1 PHE 93 6.584 -1.706 -1.866 750 HZ PHE 93 HZ PHE 93 4.667 -0.812 -0.605 751 H LYS 94 HN LYS 94 10.158 2.106 -4.674 752 HA LYS 94 HA LYS 94 10.580 4.469 -6.225 753 HB2 LYS 94 HB2 LYS 94 12.741 3.407 -4.525 754 HB3 LYS 94 HB1 LYS 94 13.185 3.699 -6.206 755 HG2 LYS 94 HG2 LYS 94 11.975 5.979 -5.763 756 HG3 LYS 94 HG1 LYS 94 12.428 5.648 -4.105 757 HD2 LYS 94 HD2 LYS 94 14.580 6.058 -4.518 758 HD3 LYS 94 HD1 LYS 94 14.551 5.124 -6.016 759 HE2 LYS 94 HE2 LYS 94 13.591 6.976 -7.186 760 HE3 LYS 94 HE1 LYS 94 13.516 7.923 -5.706 761 HZ1 LYS 94 HZ1 LYS 94 15.824 8.131 -5.640 762 HZ2 LYS 94 HZ2 LYS 94 15.452 8.352 -7.275 763 HZ3 LYS 94 HZ3 LYS 94 16.076 6.873 -6.743 764 H ARG 95 HN ARG 95 10.646 3.949 -8.345 765 HA ARG 95 HA ARG 95 10.376 1.198 -9.079 766 HB2 ARG 95 HB2 ARG 95 10.020 3.773 -10.373 767 HB3 ARG 95 HB1 ARG 95 10.836 2.626 -11.427 768 HG2 ARG 95 HG2 ARG 95 9.036 1.035 -11.161 769 HG3 ARG 95 HG1 ARG 95 8.228 2.107 -10.020 770 HD2 ARG 95 HD2 ARG 95 7.530 2.026 -12.558 771 HD3 ARG 95 HD1 ARG 95 7.514 3.534 -11.650 772 HE ARG 95 HE ARG 95 9.960 2.931 -13.096 773 HH11 ARG 95 HH11 ARG 95 6.901 4.618 -13.087 774 HH12 ARG 95 HH12 ARG 95 7.388 5.757 -14.296 775 HH21 ARG 95 HH21 ARG 95 10.595 4.430 -14.685 776 HH22 ARG 95 HH22 ARG 95 9.481 5.650 -15.204 777 H THR 96 HN THR 96 11.727 -0.112 -10.138 778 HA THR 96 HA THR 96 14.526 0.318 -9.801 779 HB THR 96 HB THR 96 12.730 -1.843 -10.619 780 HG1 THR 96 HG1 THR 96 13.807 -2.863 -9.093 781 HG21 THR 96 HG21 THR 96 15.516 -1.735 -11.736 782 HG22 THR 96 HG22 THR 96 14.005 -2.021 -12.600 783 HG23 THR 96 HG23 THR 96 14.629 -3.240 -11.489 784 H ASP 97 HN ASP 97 12.281 1.055 -12.256 785 HA ASP 97 HA ASP 97 13.616 0.789 -14.626 786 HB2 ASP 97 HB2 ASP 97 11.348 1.614 -14.542 787 HB3 ASP 97 HB1 ASP 97 11.861 3.072 -13.700 788 H ASN 98 HN ASN 98 13.752 3.706 -12.558 789 HA ASN 98 HA ASN 98 16.554 4.044 -13.186 790 HB2 ASN 98 HB2 ASN 98 14.435 5.733 -14.411 791 HB3 ASN 98 HB1 ASN 98 15.886 6.550 -13.840 792 HD21 ASN 98 HD21 ASN 98 17.718 6.412 -14.997 793 HD22 ASN 98 HD22 ASN 98 17.882 5.516 -16.465 794 H GLY 99 HN GLY 99 14.713 3.734 -10.830 795 HA2 GLY 99 HA2 GLY 99 14.785 4.442 -8.649 796 HA3 GLY 99 HA1 GLY 99 16.053 5.566 -9.108 797 H ASN 100 HN ASN 100 12.597 5.052 -8.978 798 HA ASN 100 HA ASN 100 12.167 7.967 -9.171 799 HB2 ASN 100 HB2 ASN 100 10.350 5.654 -9.715 800 HB3 ASN 100 HB1 ASN 100 9.826 7.334 -9.749 801 HD21 ASN 100 HD21 ASN 100 11.677 8.649 -11.070 802 HD22 ASN 100 HD22 ASN 100 11.906 8.028 -12.666 803 H GLU 101 HN GLU 101 12.010 8.763 -7.207 804 HA GLU 101 HA GLU 101 11.494 7.403 -4.849 805 HB2 GLU 101 HB2 GLU 101 11.079 9.748 -3.912 806 HB3 GLU 101 HB1 GLU 101 12.659 9.409 -4.610 807 HG2 GLU 101 HG2 GLU 101 11.064 10.327 -6.697 808 HG3 GLU 101 HG1 GLU 101 10.738 11.397 -5.337 809 H LEU 102 HN LEU 102 9.796 7.194 -3.562 810 HA LEU 102 HA LEU 102 7.178 8.188 -4.373 811 HB2 LEU 102 HB2 LEU 102 7.709 5.914 -5.362 812 HB3 LEU 102 HB1 LEU 102 7.671 5.289 -3.724 813 HG LEU 102 HG LEU 102 5.272 6.787 -4.631 814 HD11 LEU 102 HD11 LEU 102 5.228 3.946 -5.334 815 HD12 LEU 102 HD12 LEU 102 6.245 4.949 -6.366 816 HD13 LEU 102 HD13 LEU 102 4.537 5.333 -6.171 817 HD21 LEU 102 HD21 LEU 102 5.957 5.258 -2.438 818 HD22 LEU 102 HD22 LEU 102 4.935 4.189 -3.401 819 HD23 LEU 102 HD23 LEU 102 4.332 5.768 -2.893 820 H ASN 103 HN ASN 103 6.131 8.952 -2.614 821 HA ASN 103 HA ASN 103 7.104 8.101 0.025 822 HB2 ASN 103 HB2 ASN 103 5.619 10.649 -0.642 823 HB3 ASN 103 HB1 ASN 103 6.403 10.243 0.881 824 HD21 ASN 103 HD21 ASN 103 7.104 10.653 -2.566 825 HD22 ASN 103 HD22 ASN 103 8.675 11.334 -2.341 826 H THR 104 HN THR 104 5.639 7.756 1.710 827 HA THR 104 HA THR 104 2.809 7.635 1.081 828 HB THR 104 HB THR 104 2.492 5.364 1.424 829 HG1 THR 104 HG1 THR 104 3.828 4.083 2.585 830 HG21 THR 104 HG21 THR 104 5.265 5.240 0.287 831 HG22 THR 104 HG22 THR 104 3.866 5.767 -0.644 832 HG23 THR 104 HG23 THR 104 3.920 4.134 0.019 833 H VAL 105 HN VAL 105 1.798 8.614 2.663 834 HA VAL 105 HA VAL 105 2.737 8.189 5.421 835 HB VAL 105 HB VAL 105 1.593 10.807 4.465 836 HG11 VAL 105 HG11 VAL 105 3.015 11.463 6.590 837 HG12 VAL 105 HG12 VAL 105 2.749 9.768 6.999 838 HG13 VAL 105 HG13 VAL 105 1.372 10.839 6.738 839 HG21 VAL 105 HG21 VAL 105 4.344 9.765 4.245 840 HG22 VAL 105 HG22 VAL 105 4.185 11.398 4.892 841 HG23 VAL 105 HG23 VAL 105 3.521 11.010 3.305 842 H ARG 106 HN ARG 106 1.200 7.132 6.487 843 HA ARG 106 HA ARG 106 -1.593 7.946 6.073 844 HB2 ARG 106 HB2 ARG 106 -2.353 5.681 6.135 845 HB3 ARG 106 HB1 ARG 106 -1.082 5.777 4.926 846 HG2 ARG 106 HG2 ARG 106 0.504 4.926 6.685 847 HG3 ARG 106 HG1 ARG 106 -0.913 4.610 7.689 848 HD2 ARG 106 HD2 ARG 106 -1.745 3.365 5.521 849 HD3 ARG 106 HD1 ARG 106 -0.017 3.273 5.184 850 HE ARG 106 HE ARG 106 -0.174 2.381 7.721 851 HH11 ARG 106 HH11 ARG 106 -1.892 1.519 4.807 852 HH12 ARG 106 HH12 ARG 106 -2.150 -0.122 5.296 853 HH21 ARG 106 HH21 ARG 106 -0.514 0.224 8.366 854 HH22 ARG 106 HH22 ARG 106 -1.368 -0.857 7.316 855 H GLU 107 HN GLU 107 -2.366 8.756 7.891 856 HA GLU 107 HA GLU 107 -1.342 7.722 10.451 857 HB2 GLU 107 HB2 GLU 107 -1.957 9.874 11.424 858 HB3 GLU 107 HB1 GLU 107 -0.866 10.099 10.065 859 HG2 GLU 107 HG2 GLU 107 -2.929 10.525 8.660 860 HG3 GLU 107 HG1 GLU 107 -3.818 10.616 10.179 861 H ILE 108 HN ILE 108 -2.870 7.622 12.241 862 HA ILE 108 HA ILE 108 -5.340 6.416 11.424 863 HB ILE 108 HB ILE 108 -4.394 7.097 14.213 864 HG12 ILE 108 HG12 ILE 108 -2.962 5.514 12.767 865 HG13 ILE 108 HG11 ILE 108 -3.442 4.956 14.366 866 HG21 ILE 108 HG21 ILE 108 -6.523 5.152 13.327 867 HG22 ILE 108 HG22 ILE 108 -6.829 6.746 14.017 868 HG23 ILE 108 HG23 ILE 108 -6.039 5.502 14.987 869 HD11 ILE 108 HD11 ILE 108 -5.235 4.247 12.133 870 HD12 ILE 108 HD12 ILE 108 -4.746 3.310 13.546 871 HD13 ILE 108 HD13 ILE 108 -3.654 3.464 12.170 872 H ILE 109 HN ILE 109 -6.350 8.220 10.363 873 HA ILE 109 HA ILE 109 -7.044 10.559 11.871 874 HB ILE 109 HB ILE 109 -6.788 10.333 9.296 875 HG12 ILE 109 HG12 ILE 109 -8.515 12.149 8.978 876 HG13 ILE 109 HG11 ILE 109 -9.013 11.868 10.643 877 HG21 ILE 109 HG21 ILE 109 -9.694 9.603 9.580 878 HG22 ILE 109 HG22 ILE 109 -8.414 8.489 9.095 879 HG23 ILE 109 HG23 ILE 109 -8.812 9.873 8.075 880 HD11 ILE 109 HD11 ILE 109 -6.214 12.202 10.659 881 HD12 ILE 109 HD12 ILE 109 -7.451 13.273 11.318 882 HD13 ILE 109 HD13 ILE 109 -6.895 13.484 9.657 883 H GLY 110 HN GLY 110 -8.640 10.676 13.328 884 HA2 GLY 110 HA2 GLY 110 -10.509 10.076 14.534 885 HA3 GLY 110 HA1 GLY 110 -11.235 9.758 12.974 886 H ASP 111 HN ASP 111 -12.111 7.854 12.938 887 HA ASP 111 HA ASP 111 -10.885 5.641 14.425 888 HB2 ASP 111 HB2 ASP 111 -13.388 6.360 14.661 889 HB3 ASP 111 HB1 ASP 111 -13.596 5.492 13.143 890 H GLU 112 HN GLU 112 -10.247 6.818 11.643 891 HA GLU 112 HA GLU 112 -10.093 4.227 10.282 892 HB2 GLU 112 HB2 GLU 112 -11.079 6.816 9.084 893 HB3 GLU 112 HB1 GLU 112 -10.589 5.430 8.123 894 HG2 GLU 112 HG2 GLU 112 -12.333 4.225 9.738 895 HG3 GLU 112 HG1 GLU 112 -13.005 5.852 9.758 896 H LEU 113 HN LEU 113 -8.673 4.615 8.171 897 HA LEU 113 HA LEU 113 -6.315 6.156 9.060 898 HB2 LEU 113 HB2 LEU 113 -6.288 3.520 8.734 899 HB3 LEU 113 HB1 LEU 113 -6.044 3.968 7.059 900 HG LEU 113 HG LEU 113 -4.136 5.481 8.080 901 HD11 LEU 113 HD11 LEU 113 -4.284 5.160 10.348 902 HD12 LEU 113 HD12 LEU 113 -3.057 3.973 9.900 903 HD13 LEU 113 HD13 LEU 113 -4.720 3.458 10.187 904 HD21 LEU 113 HD21 LEU 113 -2.752 3.175 7.998 905 HD22 LEU 113 HD22 LEU 113 -3.301 4.039 6.562 906 HD23 LEU 113 HD23 LEU 113 -4.234 2.678 7.182 907 H VAL 114 HN VAL 114 -5.584 7.723 7.809 908 HA VAL 114 HA VAL 114 -6.739 8.002 5.104 909 HB VAL 114 HB VAL 114 -7.291 9.867 6.602 910 HG11 VAL 114 HG11 VAL 114 -5.141 9.581 7.960 911 HG12 VAL 114 HG12 VAL 114 -5.718 11.222 7.678 912 HG13 VAL 114 HG13 VAL 114 -4.380 10.582 6.725 913 HG21 VAL 114 HG21 VAL 114 -6.400 10.054 4.051 914 HG22 VAL 114 HG22 VAL 114 -5.332 11.200 4.863 915 HG23 VAL 114 HG23 VAL 114 -7.082 11.399 4.967 916 H GLN 115 HN GLN 115 -5.356 7.203 3.660 917 HA GLN 115 HA GLN 115 -2.483 7.534 4.097 918 HB2 GLN 115 HB2 GLN 115 -3.797 5.854 1.974 919 HB3 GLN 115 HB1 GLN 115 -2.151 5.739 2.581 920 HG2 GLN 115 HG2 GLN 115 -2.746 4.389 4.238 921 HG3 GLN 115 HG1 GLN 115 -4.125 5.393 4.678 922 HE21 GLN 115 HE21 GLN 115 -3.057 3.066 2.234 923 HE22 GLN 115 HE22 GLN 115 -4.600 2.320 2.016 924 H THR 116 HN THR 116 -1.140 8.530 2.715 925 HA THR 116 HA THR 116 -2.197 9.697 0.240 926 HB THR 116 HB THR 116 -0.374 11.396 1.854 927 HG1 THR 116 HG1 THR 116 -3.104 11.005 2.479 928 HG21 THR 116 HG21 THR 116 -0.935 12.831 0.276 929 HG22 THR 116 HG22 THR 116 -2.568 12.852 0.942 930 HG23 THR 116 HG23 THR 116 -2.160 11.731 -0.357 931 H TYR 117 HN TYR 117 -0.955 8.821 -1.284 932 HA TYR 117 HA TYR 117 1.907 8.449 -0.714 933 HB2 TYR 117 HB2 TYR 117 0.301 7.083 -2.872 934 HB3 TYR 117 HB1 TYR 117 1.915 6.665 -2.316 935 HD1 TYR 117 HD2 TYR 117 -1.569 6.974 -0.964 936 HD2 TYR 117 HD1 TYR 117 2.116 4.853 -0.918 937 HE1 TYR 117 HE2 TYR 117 -2.539 5.331 0.577 938 HE2 TYR 117 HE1 TYR 117 1.155 3.203 0.628 939 HH TYR 117 HH TYR 117 -0.639 2.997 2.218 940 H VAL 118 HN VAL 118 3.398 8.851 -2.507 941 HA VAL 118 HA VAL 118 2.377 10.387 -4.725 942 HB VAL 118 HB VAL 118 2.770 12.070 -2.926 943 HG11 VAL 118 HG11 VAL 118 5.642 12.146 -3.169 944 HG12 VAL 118 HG12 VAL 118 5.105 10.611 -2.490 945 HG13 VAL 118 HG13 VAL 118 4.635 12.126 -1.721 946 HG21 VAL 118 HG21 VAL 118 4.245 12.091 -5.521 947 HG22 VAL 118 HG22 VAL 118 4.415 13.451 -4.411 948 HG23 VAL 118 HG23 VAL 118 2.824 13.010 -5.030 949 H TYR 119 HN TYR 119 3.578 10.127 -6.540 950 HA TYR 119 HA TYR 119 6.330 9.181 -6.357 951 HB2 TYR 119 HB2 TYR 119 5.204 7.105 -6.407 952 HB3 TYR 119 HB1 TYR 119 4.075 7.641 -7.624 953 HD1 TYR 119 HD2 TYR 119 7.441 6.407 -6.994 954 HD2 TYR 119 HD1 TYR 119 4.705 7.673 -9.969 955 HE1 TYR 119 HE2 TYR 119 8.880 5.419 -8.707 956 HE2 TYR 119 HE1 TYR 119 6.140 6.693 -11.713 957 HH TYR 119 HH TYR 119 8.619 6.121 -11.943 958 H GLU 120 HN GLU 120 7.462 10.464 -7.629 959 HA GLU 120 HA GLU 120 7.693 12.265 -9.134 960 HB2 GLU 120 HB2 GLU 120 7.299 10.114 -11.164 961 HB3 GLU 120 HB1 GLU 120 8.559 11.336 -11.061 962 HG2 GLU 120 HG2 GLU 120 8.283 8.880 -9.353 963 HG3 GLU 120 HG1 GLU 120 9.483 9.175 -10.604 964 H GLY 121 HN GLY 121 5.838 13.579 -9.009 965 HA2 GLY 121 HA2 GLY 121 4.136 14.745 -10.035 966 HA3 GLY 121 HA1 GLY 121 4.326 13.703 -11.423 967 H VAL 122 HN VAL 122 3.885 11.551 -9.061 968 HA VAL 122 HA VAL 122 0.977 11.501 -9.482 969 HB VAL 122 HB VAL 122 2.743 9.199 -8.637 970 HG11 VAL 122 HG11 VAL 122 0.085 9.349 -8.398 971 HG12 VAL 122 HG12 VAL 122 0.952 7.859 -8.763 972 HG13 VAL 122 HG13 VAL 122 0.206 8.779 -10.062 973 HG21 VAL 122 HG21 VAL 122 1.790 8.942 -11.303 974 HG22 VAL 122 HG22 VAL 122 3.450 8.975 -10.714 975 HG23 VAL 122 HG23 VAL 122 2.641 10.478 -11.147 976 H GLU 123 HN GLU 123 -0.422 11.158 -7.761 977 HA GLU 123 HA GLU 123 0.582 10.762 -5.105 978 HB2 GLU 123 HB2 GLU 123 0.590 13.338 -5.832 979 HB3 GLU 123 HB1 GLU 123 -1.091 13.202 -5.330 980 HG2 GLU 123 HG2 GLU 123 -0.553 12.820 -3.146 981 HG3 GLU 123 HG1 GLU 123 1.021 12.151 -3.529 982 H ALA 124 HN ALA 124 -0.760 9.298 -4.313 983 HA ALA 124 HA ALA 124 -3.612 9.538 -4.975 984 HB1 ALA 124 HB1 ALA 124 -2.497 7.607 -6.072 985 HB2 ALA 124 HB2 ALA 124 -3.814 7.144 -4.995 986 HB3 ALA 124 HB3 ALA 124 -2.139 6.960 -4.471 987 H LYS 125 HN LYS 125 -5.063 9.478 -3.394 988 HA LYS 125 HA LYS 125 -4.062 9.144 -0.643 989 HB2 LYS 125 HB2 LYS 125 -5.742 11.135 -1.889 990 HB3 LYS 125 HB1 LYS 125 -6.633 10.328 -0.607 991 HG2 LYS 125 HG2 LYS 125 -5.483 11.370 0.984 992 HG3 LYS 125 HG1 LYS 125 -3.938 11.029 0.204 993 HD2 LYS 125 HD2 LYS 125 -5.837 13.240 -0.581 994 HD3 LYS 125 HD1 LYS 125 -4.384 13.447 0.399 995 HE2 LYS 125 HE2 LYS 125 -3.003 13.282 -1.380 996 HE3 LYS 125 HE1 LYS 125 -3.999 12.063 -2.172 997 HZ1 LYS 125 HZ1 LYS 125 -5.575 14.189 -2.381 998 HZ2 LYS 125 HZ2 LYS 125 -4.436 13.764 -3.557 999 HZ3 LYS 125 HZ3 LYS 125 -4.067 14.956 -2.415 1000 H ARG 126 HN ARG 126 -4.999 7.611 0.646 1001 HA ARG 126 HA ARG 126 -7.311 6.180 -0.474 1002 HB2 ARG 126 HB2 ARG 126 -5.294 4.920 -0.964 1003 HB3 ARG 126 HB1 ARG 126 -4.826 4.962 0.725 1004 HG2 ARG 126 HG2 ARG 126 -6.195 3.270 1.281 1005 HG3 ARG 126 HG1 ARG 126 -7.482 3.823 0.208 1006 HD2 ARG 126 HD2 ARG 126 -6.929 2.047 -1.041 1007 HD3 ARG 126 HD1 ARG 126 -5.578 3.042 -1.573 1008 HE ARG 126 HE ARG 126 -5.385 1.107 0.645 1009 HH11 ARG 126 HH11 ARG 126 -4.046 2.621 -2.213 1010 HH12 ARG 126 HH12 ARG 126 -2.567 1.727 -2.136 1011 HH21 ARG 126 HH21 ARG 126 -3.439 -0.059 0.734 1012 HH22 ARG 126 HH22 ARG 126 -2.222 0.209 -0.469 1013 H ILE 127 HN ILE 127 -8.954 6.305 0.867 1014 HA ILE 127 HA ILE 127 -8.587 6.749 3.704 1015 HB ILE 127 HB ILE 127 -11.155 6.294 2.176 1016 HG12 ILE 127 HG12 ILE 127 -11.403 8.807 2.490 1017 HG13 ILE 127 HG11 ILE 127 -9.693 8.833 2.909 1018 HG21 ILE 127 HG21 ILE 127 -11.264 7.841 4.643 1019 HG22 ILE 127 HG22 ILE 127 -10.726 6.178 4.886 1020 HG23 ILE 127 HG23 ILE 127 -12.272 6.500 4.099 1021 HD11 ILE 127 HD11 ILE 127 -9.032 8.504 0.771 1022 HD12 ILE 127 HD12 ILE 127 -10.585 9.278 0.451 1023 HD13 ILE 127 HD13 ILE 127 -10.440 7.522 0.367 1024 H PHE 128 HN PHE 128 -8.794 5.220 5.261 1025 HA PHE 128 HA PHE 128 -9.239 2.477 4.321 1026 HB2 PHE 128 HB2 PHE 128 -7.079 2.671 5.254 1027 HB3 PHE 128 HB1 PHE 128 -7.679 3.609 6.618 1028 HD1 PHE 128 HD1 PHE 128 -8.204 0.285 5.045 1029 HD2 PHE 128 HD2 PHE 128 -7.894 2.535 8.635 1030 HE1 PHE 128 HE1 PHE 128 -8.478 -1.752 6.342 1031 HE2 PHE 128 HE2 PHE 128 -8.143 0.460 9.946 1032 HZ PHE 128 HZ PHE 128 -8.451 -1.685 8.796 1033 H LYS 129 HN LYS 129 -10.462 1.026 5.447 1034 HA LYS 129 HA LYS 129 -12.052 1.930 7.718 1035 HB2 LYS 129 HB2 LYS 129 -13.500 2.425 5.875 1036 HB3 LYS 129 HB1 LYS 129 -13.210 0.862 5.137 1037 HG2 LYS 129 HG2 LYS 129 -14.350 0.833 7.854 1038 HG3 LYS 129 HG1 LYS 129 -15.380 1.484 6.582 1039 HD2 LYS 129 HD2 LYS 129 -14.860 -0.600 5.259 1040 HD3 LYS 129 HD1 LYS 129 -14.130 -1.250 6.728 1041 HE2 LYS 129 HE2 LYS 129 -16.264 -0.946 7.905 1042 HE3 LYS 129 HE1 LYS 129 -16.985 -0.324 6.422 1043 HZ1 LYS 129 HZ1 LYS 129 -16.413 -2.502 5.386 1044 HZ2 LYS 129 HZ2 LYS 129 -17.576 -2.596 6.610 1045 HZ3 LYS 129 HZ3 LYS 129 -15.982 -3.069 6.921 1046 H LYS 130 HN LYS 130 -13.052 0.097 8.832 1047 HA LYS 130 HA LYS 130 -11.430 -2.321 8.401 1048 HB2 LYS 130 HB2 LYS 130 -12.877 -1.708 10.953 1049 HB3 LYS 130 HB1 LYS 130 -11.529 -2.805 10.681 1050 HG2 LYS 130 HG2 LYS 130 -10.124 -0.798 10.156 1051 HG3 LYS 130 HG1 LYS 130 -11.473 0.199 10.701 1052 HD2 LYS 130 HD2 LYS 130 -9.970 -0.041 12.541 1053 HD3 LYS 130 HD1 LYS 130 -11.387 -1.037 12.882 1054 HE2 LYS 130 HE2 LYS 130 -9.932 -2.682 13.290 1055 HE3 LYS 130 HE1 LYS 130 -9.735 -2.772 11.540 1056 HZ1 LYS 130 HZ1 LYS 130 -7.814 -1.437 11.637 1057 HZ2 LYS 130 HZ2 LYS 130 -7.635 -2.574 12.877 1058 HZ3 LYS 130 HZ3 LYS 130 -8.094 -0.988 13.245 1059 H ASP 131 HN ASP 131 -12.300 -4.354 8.546 1060 HA ASP 131 HA ASP 131 -14.891 -4.651 7.432 1061 HB2 ASP 131 HB2 ASP 131 -12.743 -6.165 7.303 1062 HB3 ASP 131 HB1 ASP 131 -13.449 -6.935 8.721 1063 H2 KTR 201 H6 KET 1 -1.605 1.478 -4.611 1064 H3 KTR 201 H31 KET 1 2.197 -1.006 -2.038 1065 H4 KTR 201 H32 KET 1 2.900 0.015 -3.301 1066 H5 KTR 201 H21 KET 1 1.386 0.771 -0.882 1067 H6 KTR 201 H22 KET 1 2.732 1.600 -1.683 1068 H7 KTR 201 H1 KET 1 0.212 2.464 -2.085 1069 H8 KTR 201 H11 KET 1 0.380 -5.031 -5.771 1070 H9 KTR 201 H13 KET 1 1.330 -5.679 -7.958 1071 H10 KTR 201 H15 KET 1 2.665 -4.051 -9.251 1072 H11 KTR 201 H14 KET 1 3.049 -1.780 -8.351 1073 H12 KTR 201 H12 KET 1 2.102 -1.146 -6.168 1074 H13 KTR 201 H7 KET 1 -1.594 -1.063 -5.452 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -3.024 0.106 16.951 2 H2 ALA 1 HT2 ALA 1 -2.486 -1.345 17.693 3 H3 ALA 1 HT3 ALA 1 -3.568 -0.304 18.524 4 HA ALA 1 HA ALA 1 -4.494 -2.367 17.484 5 HB1 ALA 1 HB1 ALA 1 -5.745 0.248 16.674 6 HB2 ALA 1 HB2 ALA 1 -5.765 -0.378 18.323 7 HB3 ALA 1 HB3 ALA 1 -6.558 -1.277 17.029 8 H PHE 2 HN PHE 2 -2.252 -1.548 15.712 9 HA PHE 2 HA PHE 2 -3.344 -1.205 13.089 10 HB2 PHE 2 HB2 PHE 2 -0.833 -0.911 14.246 11 HB3 PHE 2 HB1 PHE 2 -0.640 -2.298 13.182 12 HD1 PHE 2 HD2 PHE 2 -2.924 0.530 12.516 13 HD2 PHE 2 HD1 PHE 2 0.818 -1.290 11.620 14 HE1 PHE 2 HE2 PHE 2 -2.651 2.034 10.592 15 HE2 PHE 2 HE1 PHE 2 1.092 0.224 9.701 16 HZ PHE 2 HZ PHE 2 -0.643 1.884 9.183 17 H ASP 3 HN ASP 3 -1.752 -3.914 14.762 18 HA ASP 3 HA ASP 3 -1.961 -5.818 12.751 19 HB2 ASP 3 HB2 ASP 3 -0.641 -6.116 14.818 20 HB3 ASP 3 HB1 ASP 3 -2.133 -6.280 15.737 21 H SER 4 HN SER 4 -3.805 -6.177 11.665 22 HA SER 4 HA SER 4 -5.887 -7.686 12.709 23 HB2 SER 4 HB2 SER 4 -6.170 -5.144 13.673 24 HB3 SER 4 HB1 SER 4 -7.136 -5.061 12.202 25 HG SER 4 HG SER 4 -7.739 -6.215 14.542 26 H THR 5 HN THR 5 -8.017 -7.233 11.214 27 HA THR 5 HA THR 5 -7.017 -7.512 8.490 28 HB THR 5 HB THR 5 -9.822 -7.835 9.586 29 HG1 THR 5 HG1 THR 5 -8.404 -9.415 10.384 30 HG21 THR 5 HG21 THR 5 -9.114 -9.255 7.147 31 HG22 THR 5 HG22 THR 5 -9.142 -7.500 6.972 32 HG23 THR 5 HG23 THR 5 -10.571 -8.351 7.560 33 H TRP 6 HN TRP 6 -6.856 -5.746 7.245 34 HA TRP 6 HA TRP 6 -8.751 -3.555 7.754 35 HB2 TRP 6 HB2 TRP 6 -5.895 -3.473 6.849 36 HB3 TRP 6 HB1 TRP 6 -6.931 -2.095 6.733 37 HD1 TRP 6 HD1 TRP 6 -7.037 -4.422 9.768 38 HE1 TRP 6 HE1 TRP 6 -6.247 -3.122 11.836 39 HE3 TRP 6 HE3 TRP 6 -5.483 -0.134 7.469 40 HZ2 TRP 6 HZ2 TRP 6 -5.113 -0.613 12.422 41 HZ3 TRP 6 HZ3 TRP 6 -4.555 1.667 8.862 42 HH2 TRP 6 HH2 TRP 6 -4.374 1.435 11.286 43 H LYS 7 HN LYS 7 -10.068 -3.004 6.239 44 HA LYS 7 HA LYS 7 -9.517 -3.821 3.461 45 HB2 LYS 7 HB2 LYS 7 -11.354 -5.139 4.289 46 HB3 LYS 7 HB1 LYS 7 -12.152 -3.712 4.937 47 HG2 LYS 7 HG2 LYS 7 -11.736 -3.292 2.162 48 HG3 LYS 7 HG1 LYS 7 -12.434 -4.899 2.377 49 HD2 LYS 7 HD2 LYS 7 -14.196 -3.253 2.112 50 HD3 LYS 7 HD1 LYS 7 -14.226 -3.913 3.749 51 HE2 LYS 7 HE2 LYS 7 -13.224 -1.959 4.648 52 HE3 LYS 7 HE1 LYS 7 -12.825 -1.344 3.044 53 HZ1 LYS 7 HZ1 LYS 7 -14.698 -0.148 3.718 54 HZ2 LYS 7 HZ2 LYS 7 -15.484 -1.516 4.328 55 HZ3 LYS 7 HZ3 LYS 7 -15.315 -1.314 2.658 56 H VAL 8 HN VAL 8 -9.244 -2.238 2.119 57 HA VAL 8 HA VAL 8 -9.532 0.464 2.849 58 HB VAL 8 HB VAL 8 -7.943 -0.522 1.134 59 HG11 VAL 8 HG11 VAL 8 -10.389 -0.299 -0.627 60 HG12 VAL 8 HG12 VAL 8 -9.553 -1.787 -0.181 61 HG13 VAL 8 HG13 VAL 8 -8.743 -0.589 -1.189 62 HG21 VAL 8 HG21 VAL 8 -7.838 1.520 -0.110 63 HG22 VAL 8 HG22 VAL 8 -8.321 1.889 1.546 64 HG23 VAL 8 HG23 VAL 8 -9.523 1.884 0.257 65 H ASP 9 HN ASP 9 -11.129 1.925 2.525 66 HA ASP 9 HA ASP 9 -13.679 0.887 1.557 67 HB2 ASP 9 HB2 ASP 9 -13.644 2.026 3.725 68 HB3 ASP 9 HB1 ASP 9 -13.026 3.486 2.961 69 H ARG 10 HN ARG 10 -12.177 4.111 1.274 70 HA ARG 10 HA ARG 10 -12.948 4.077 -1.572 71 HB2 ARG 10 HB2 ARG 10 -13.084 6.602 -1.339 72 HB3 ARG 10 HB1 ARG 10 -14.356 5.678 -0.555 73 HG2 ARG 10 HG2 ARG 10 -12.991 5.886 1.570 74 HG3 ARG 10 HG1 ARG 10 -12.026 7.072 0.697 75 HD2 ARG 10 HD2 ARG 10 -13.734 8.189 1.999 76 HD3 ARG 10 HD1 ARG 10 -14.049 8.397 0.279 77 HE ARG 10 HE ARG 10 -15.618 6.846 2.177 78 HH11 ARG 10 HH11 ARG 10 -15.052 7.722 -1.159 79 HH12 ARG 10 HH12 ARG 10 -16.630 7.238 -1.679 80 HH21 ARG 10 HH21 ARG 10 -17.689 6.210 1.487 81 HH22 ARG 10 HH22 ARG 10 -18.126 6.380 -0.181 82 H SER 11 HN SER 11 -11.641 5.616 -2.920 83 HA SER 11 HA SER 11 -8.908 5.958 -1.933 84 HB2 SER 11 HB2 SER 11 -7.930 4.882 -3.855 85 HB3 SER 11 HB1 SER 11 -9.068 3.755 -3.119 86 HG SER 11 HG SER 11 -10.536 4.217 -4.733 87 H GLU 12 HN GLU 12 -7.619 7.407 -3.209 88 HA GLU 12 HA GLU 12 -9.112 9.108 -5.074 89 HB2 GLU 12 HB2 GLU 12 -7.852 9.905 -2.498 90 HB3 GLU 12 HB1 GLU 12 -7.675 11.007 -3.857 91 HG2 GLU 12 HG2 GLU 12 -10.355 9.944 -3.046 92 HG3 GLU 12 HG1 GLU 12 -9.641 11.353 -2.263 93 H ASN 13 HN ASN 13 -8.001 9.385 -6.898 94 HA ASN 13 HA ASN 13 -6.324 9.478 -8.409 95 HB2 ASN 13 HB2 ASN 13 -5.166 10.576 -5.939 96 HB3 ASN 13 HB1 ASN 13 -4.000 10.013 -7.123 97 HD21 ASN 13 HD21 ASN 13 -7.161 11.376 -7.807 98 HD22 ASN 13 HD22 ASN 13 -6.581 12.795 -8.603 99 H TYR 14 HN TYR 14 -6.813 7.013 -6.540 100 HA TYR 14 HA TYR 14 -4.428 5.588 -6.311 101 HB2 TYR 14 HB2 TYR 14 -6.894 5.046 -5.521 102 HB3 TYR 14 HB1 TYR 14 -6.952 4.157 -7.037 103 HD1 TYR 14 HD1 TYR 14 -4.208 3.091 -7.180 104 HD2 TYR 14 HD2 TYR 14 -6.861 3.380 -3.876 105 HE1 TYR 14 HE1 TYR 14 -3.093 1.173 -6.128 106 HE2 TYR 14 HE2 TYR 14 -5.748 1.470 -2.805 107 HH TYR 14 HH TYR 14 -3.794 -0.634 -4.374 108 H ASP 15 HN ASP 15 -6.816 5.664 -8.941 109 HA ASP 15 HA ASP 15 -5.647 3.930 -10.750 110 HB2 ASP 15 HB2 ASP 15 -7.071 6.552 -11.282 111 HB3 ASP 15 HB1 ASP 15 -6.725 5.339 -12.512 112 H LYS 16 HN LYS 16 -4.802 7.202 -9.883 113 HA LYS 16 HA LYS 16 -3.096 7.964 -11.918 114 HB2 LYS 16 HB2 LYS 16 -3.880 9.128 -9.674 115 HB3 LYS 16 HB1 LYS 16 -2.338 8.526 -9.090 116 HG2 LYS 16 HG2 LYS 16 -1.417 10.354 -9.907 117 HG3 LYS 16 HG1 LYS 16 -1.748 9.728 -11.518 118 HD2 LYS 16 HD2 LYS 16 -4.147 10.746 -10.972 119 HD3 LYS 16 HD1 LYS 16 -3.165 11.790 -9.938 120 HE2 LYS 16 HE2 LYS 16 -2.533 11.323 -12.842 121 HE3 LYS 16 HE1 LYS 16 -3.607 12.613 -12.303 122 HZ1 LYS 16 HZ1 LYS 16 -1.510 13.035 -10.729 123 HZ2 LYS 16 HZ2 LYS 16 -1.689 13.764 -12.244 124 HZ3 LYS 16 HZ3 LYS 16 -0.720 12.388 -12.078 125 H PHE 17 HN PHE 17 -2.475 5.966 -9.108 126 HA PHE 17 HA PHE 17 0.311 5.685 -9.652 127 HB2 PHE 17 HB2 PHE 17 -1.598 4.266 -7.804 128 HB3 PHE 17 HB1 PHE 17 0.097 3.786 -7.940 129 HD1 PHE 17 HD1 PHE 17 -1.362 7.171 -8.139 130 HD2 PHE 17 HD2 PHE 17 1.013 4.446 -5.857 131 HE1 PHE 17 HE1 PHE 17 -0.727 9.004 -6.661 132 HE2 PHE 17 HE2 PHE 17 1.655 6.296 -4.360 133 HZ PHE 17 HZ PHE 17 0.790 8.569 -4.760 134 H MET 18 HN MET 18 -2.527 4.060 -10.767 135 HA MET 18 HA MET 18 -1.277 1.661 -11.602 136 HB2 MET 18 HB2 MET 18 -3.849 3.042 -12.319 137 HB3 MET 18 HB1 MET 18 -3.344 1.576 -13.142 138 HG2 MET 18 HG2 MET 18 -4.920 1.172 -11.304 139 HG3 MET 18 HG1 MET 18 -3.385 0.351 -11.098 140 HE1 MET 18 HE1 MET 18 -3.330 0.298 -7.910 141 HE2 MET 18 HE2 MET 18 -1.877 1.269 -8.147 142 HE3 MET 18 HE3 MET 18 -2.353 0.084 -9.363 143 H GLU 19 HN GLU 19 -1.638 4.854 -13.022 144 HA GLU 19 HA GLU 19 -0.813 3.926 -15.638 145 HB2 GLU 19 HB2 GLU 19 -1.151 6.776 -14.710 146 HB3 GLU 19 HB1 GLU 19 -1.124 6.192 -16.369 147 HG2 GLU 19 HG2 GLU 19 -3.234 5.568 -14.315 148 HG3 GLU 19 HG1 GLU 19 -3.382 6.724 -15.638 149 H LYS 20 HN LYS 20 0.569 6.391 -13.405 150 HA LYS 20 HA LYS 20 2.954 6.710 -14.785 151 HB2 LYS 20 HB2 LYS 20 2.100 8.168 -12.956 152 HB3 LYS 20 HB1 LYS 20 2.609 6.942 -11.802 153 HG2 LYS 20 HG2 LYS 20 4.555 7.978 -11.735 154 HG3 LYS 20 HG1 LYS 20 4.855 7.362 -13.352 155 HD2 LYS 20 HD2 LYS 20 3.541 9.478 -14.109 156 HD3 LYS 20 HD1 LYS 20 3.931 10.082 -12.494 157 HE2 LYS 20 HE2 LYS 20 5.685 10.850 -13.812 158 HE3 LYS 20 HE1 LYS 20 6.341 9.411 -13.039 159 HZ1 LYS 20 HZ1 LYS 20 5.501 9.784 -15.841 160 HZ2 LYS 20 HZ2 LYS 20 5.547 8.235 -15.163 161 HZ3 LYS 20 HZ3 LYS 20 6.957 9.166 -15.239 162 H MET 21 HN MET 21 2.238 4.503 -12.079 163 HA MET 21 HA MET 21 4.837 3.391 -11.962 164 HB2 MET 21 HB2 MET 21 2.197 2.175 -11.128 165 HB3 MET 21 HB1 MET 21 3.778 1.549 -10.698 166 HG2 MET 21 HG2 MET 21 4.043 4.055 -9.800 167 HG3 MET 21 HG1 MET 21 2.301 3.860 -9.624 168 HE1 MET 21 HE1 MET 21 1.859 1.125 -9.315 169 HE2 MET 21 HE2 MET 21 1.897 0.747 -7.593 170 HE3 MET 21 HE3 MET 21 3.145 0.108 -8.663 171 H GLY 22 HN GLY 22 1.905 2.516 -13.725 172 HA2 GLY 22 HA2 GLY 22 1.859 1.451 -15.814 173 HA3 GLY 22 HA1 GLY 22 3.532 0.968 -15.582 174 H VAL 23 HN VAL 23 0.487 0.449 -13.789 175 HA VAL 23 HA VAL 23 1.254 -2.361 -13.475 176 HB VAL 23 HB VAL 23 -0.451 -2.539 -11.781 177 HG11 VAL 23 HG11 VAL 23 1.500 -1.736 -10.813 178 HG12 VAL 23 HG12 VAL 23 0.276 -0.595 -10.247 179 HG13 VAL 23 HG13 VAL 23 1.349 -0.155 -11.579 180 HG21 VAL 23 HG21 VAL 23 -2.301 -1.342 -12.364 181 HG22 VAL 23 HG22 VAL 23 -1.366 0.051 -12.909 182 HG23 VAL 23 HG23 VAL 23 -1.596 -0.237 -11.184 183 H ASN 24 HN ASN 24 -0.316 -4.053 -13.854 184 HA ASN 24 HA ASN 24 -1.759 -3.605 -16.312 185 HB2 ASN 24 HB2 ASN 24 -0.722 -5.890 -14.856 186 HB3 ASN 24 HB1 ASN 24 -2.361 -6.183 -15.426 187 HD21 ASN 24 HD21 ASN 24 0.920 -5.501 -16.353 188 HD22 ASN 24 HD22 ASN 24 0.750 -5.928 -18.019 189 H ILE 25 HN ILE 25 -3.940 -5.145 -16.237 190 HA ILE 25 HA ILE 25 -5.729 -3.604 -14.540 191 HB ILE 25 HB ILE 25 -6.294 -3.898 -16.905 192 HG12 ILE 25 HG12 ILE 25 -8.591 -4.281 -16.595 193 HG13 ILE 25 HG11 ILE 25 -8.322 -5.451 -15.312 194 HG21 ILE 25 HG21 ILE 25 -6.545 -6.823 -16.220 195 HG22 ILE 25 HG22 ILE 25 -5.324 -6.097 -17.265 196 HG23 ILE 25 HG23 ILE 25 -7.020 -6.080 -17.747 197 HD11 ILE 25 HD11 ILE 25 -7.453 -2.650 -14.864 198 HD12 ILE 25 HD12 ILE 25 -8.075 -3.842 -13.722 199 HD13 ILE 25 HD13 ILE 25 -9.178 -3.013 -14.821 200 H VAL 26 HN VAL 26 -4.734 -6.940 -15.024 201 HA VAL 26 HA VAL 26 -6.548 -8.299 -13.460 202 HB VAL 26 HB VAL 26 -3.596 -8.923 -13.535 203 HG11 VAL 26 HG11 VAL 26 -4.357 -10.498 -12.106 204 HG12 VAL 26 HG12 VAL 26 -4.855 -11.296 -13.597 205 HG13 VAL 26 HG13 VAL 26 -6.023 -10.358 -12.667 206 HG21 VAL 26 HG21 VAL 26 -5.122 -10.423 -15.436 207 HG22 VAL 26 HG22 VAL 26 -3.735 -9.368 -15.707 208 HG23 VAL 26 HG23 VAL 26 -5.366 -8.699 -15.718 209 H LYS 27 HN LYS 27 -3.551 -6.706 -12.410 210 HA LYS 27 HA LYS 27 -4.050 -7.349 -9.638 211 HB2 LYS 27 HB2 LYS 27 -1.751 -7.116 -10.759 212 HB3 LYS 27 HB1 LYS 27 -2.012 -5.380 -10.660 213 HG2 LYS 27 HG2 LYS 27 -1.681 -5.317 -8.429 214 HG3 LYS 27 HG1 LYS 27 -2.408 -6.903 -8.164 215 HD2 LYS 27 HD2 LYS 27 0.115 -6.916 -9.677 216 HD3 LYS 27 HD1 LYS 27 0.249 -6.388 -7.998 217 HE2 LYS 27 HE2 LYS 27 0.586 -8.724 -7.972 218 HE3 LYS 27 HE1 LYS 27 -1.054 -8.463 -7.378 219 HZ1 LYS 27 HZ1 LYS 27 -1.233 -10.206 -8.894 220 HZ2 LYS 27 HZ2 LYS 27 -0.200 -9.480 -10.019 221 HZ3 LYS 27 HZ3 LYS 27 -1.754 -8.858 -9.774 222 H ARG 28 HN ARG 28 -4.432 -4.637 -11.802 223 HA ARG 28 HA ARG 28 -4.931 -2.640 -9.874 224 HB2 ARG 28 HB2 ARG 28 -4.383 -2.229 -12.260 225 HB3 ARG 28 HB1 ARG 28 -5.977 -2.804 -12.709 226 HG2 ARG 28 HG2 ARG 28 -5.692 -0.571 -10.760 227 HG3 ARG 28 HG1 ARG 28 -5.448 -0.263 -12.480 228 HD2 ARG 28 HD2 ARG 28 -7.853 -1.803 -11.748 229 HD3 ARG 28 HD1 ARG 28 -7.812 -0.114 -11.262 230 HE ARG 28 HE ARG 28 -8.219 -1.100 -13.882 231 HH11 ARG 28 HH11 ARG 28 -6.697 1.505 -12.129 232 HH12 ARG 28 HH12 ARG 28 -6.796 2.619 -13.450 233 HH21 ARG 28 HH21 ARG 28 -8.351 0.364 -15.621 234 HH22 ARG 28 HH22 ARG 28 -7.735 1.972 -15.433 235 H LYS 29 HN LYS 29 -6.970 -5.054 -11.396 236 HA LYS 29 HA LYS 29 -9.487 -4.058 -10.837 237 HB2 LYS 29 HB2 LYS 29 -8.329 -6.740 -11.290 238 HB3 LYS 29 HB1 LYS 29 -9.904 -6.701 -10.507 239 HG2 LYS 29 HG2 LYS 29 -10.947 -6.139 -12.388 240 HG3 LYS 29 HG1 LYS 29 -9.734 -4.934 -12.813 241 HD2 LYS 29 HD2 LYS 29 -9.710 -6.606 -14.510 242 HD3 LYS 29 HD1 LYS 29 -8.252 -6.814 -13.540 243 HE2 LYS 29 HE2 LYS 29 -9.153 -8.980 -13.927 244 HE3 LYS 29 HE1 LYS 29 -9.476 -8.572 -12.242 245 HZ1 LYS 29 HZ1 LYS 29 -11.538 -9.237 -12.780 246 HZ2 LYS 29 HZ2 LYS 29 -11.327 -8.975 -14.437 247 HZ3 LYS 29 HZ3 LYS 29 -11.695 -7.677 -13.417 248 H LEU 30 HN LEU 30 -7.322 -5.940 -8.754 249 HA LEU 30 HA LEU 30 -9.211 -5.624 -6.535 250 HB2 LEU 30 HB2 LEU 30 -6.688 -7.231 -6.394 251 HB3 LEU 30 HB1 LEU 30 -8.175 -7.432 -5.490 252 HG LEU 30 HG LEU 30 -8.207 -7.886 -8.443 253 HD11 LEU 30 HD11 LEU 30 -7.724 -10.284 -6.851 254 HD12 LEU 30 HD12 LEU 30 -6.347 -9.183 -6.916 255 HD13 LEU 30 HD13 LEU 30 -7.055 -9.799 -8.409 256 HD21 LEU 30 HD21 LEU 30 -10.334 -8.166 -7.733 257 HD22 LEU 30 HD22 LEU 30 -9.849 -8.550 -6.081 258 HD23 LEU 30 HD23 LEU 30 -9.746 -9.781 -7.340 259 H ALA 31 HN ALA 31 -6.342 -4.308 -7.784 260 HA ALA 31 HA ALA 31 -5.377 -3.391 -5.192 261 HB1 ALA 31 HB1 ALA 31 -3.480 -2.486 -6.468 262 HB2 ALA 31 HB2 ALA 31 -4.247 -3.027 -7.962 263 HB3 ALA 31 HB3 ALA 31 -3.725 -4.208 -6.760 264 H ALA 32 HN ALA 32 -7.384 -2.272 -7.731 265 HA ALA 32 HA ALA 32 -6.833 0.460 -7.738 266 HB1 ALA 32 HB1 ALA 32 -8.294 0.176 -9.387 267 HB2 ALA 32 HB2 ALA 32 -9.546 0.341 -8.156 268 HB3 ALA 32 HB3 ALA 32 -8.990 -1.261 -8.640 269 H HIS 33 HN HIS 33 -9.208 -1.315 -5.739 270 HA HIS 33 HA HIS 33 -8.900 -0.100 -3.359 271 HB2 HIS 33 HB2 HIS 33 -10.633 1.730 -3.325 272 HB3 HIS 33 HB1 HIS 33 -9.169 2.115 -4.218 273 HD1 HIS 33 HD1 HIS 33 -12.823 1.622 -4.619 274 HD2 HIS 33 HD2 HIS 33 -9.507 2.277 -7.032 275 HE1 HIS 33 HE1 HIS 33 -13.746 2.254 -6.871 276 HE2 HIS 33 HE2 HIS 33 -11.721 2.560 -8.338 277 H ASP 34 HN ASP 34 -11.491 -0.696 -5.688 278 HA ASP 34 HA ASP 34 -13.581 -1.252 -3.992 279 HB2 ASP 34 HB2 ASP 34 -12.859 -2.112 -6.747 280 HB3 ASP 34 HB1 ASP 34 -14.166 -2.974 -5.941 281 H ASN 35 HN ASN 35 -11.388 -3.694 -5.403 282 HA ASN 35 HA ASN 35 -12.144 -5.461 -3.203 283 HB2 ASN 35 HB2 ASN 35 -10.929 -6.332 -5.819 284 HB3 ASN 35 HB1 ASN 35 -11.706 -7.342 -4.605 285 HD21 ASN 35 HD21 ASN 35 -12.115 -5.573 -7.436 286 HD22 ASN 35 HD22 ASN 35 -13.838 -5.652 -7.536 287 H LEU 36 HN LEU 36 -10.466 -4.047 -2.072 288 HA LEU 36 HA LEU 36 -7.844 -5.348 -2.370 289 HB2 LEU 36 HB2 LEU 36 -7.680 -3.096 -3.258 290 HB3 LEU 36 HB1 LEU 36 -8.380 -2.437 -1.794 291 HG LEU 36 HG LEU 36 -6.423 -3.068 -0.513 292 HD11 LEU 36 HD11 LEU 36 -4.435 -3.842 -2.116 293 HD12 LEU 36 HD12 LEU 36 -5.786 -4.589 -2.967 294 HD13 LEU 36 HD13 LEU 36 -5.485 -4.982 -1.275 295 HD21 LEU 36 HD21 LEU 36 -5.673 -1.677 -3.082 296 HD22 LEU 36 HD22 LEU 36 -4.771 -1.611 -1.568 297 HD23 LEU 36 HD23 LEU 36 -6.389 -0.915 -1.662 298 H LYS 37 HN LYS 37 -7.129 -6.291 -0.592 299 HA LYS 37 HA LYS 37 -8.270 -5.483 2.006 300 HB2 LYS 37 HB2 LYS 37 -9.109 -7.656 1.534 301 HB3 LYS 37 HB1 LYS 37 -7.550 -8.215 0.953 302 HG2 LYS 37 HG2 LYS 37 -8.080 -9.146 3.141 303 HG3 LYS 37 HG1 LYS 37 -6.650 -8.114 3.210 304 HD2 LYS 37 HD2 LYS 37 -7.749 -7.312 5.037 305 HD3 LYS 37 HD1 LYS 37 -8.483 -6.283 3.805 306 HE2 LYS 37 HE2 LYS 37 -9.625 -8.782 5.036 307 HE3 LYS 37 HE1 LYS 37 -10.240 -7.135 5.175 308 HZ1 LYS 37 HZ1 LYS 37 -10.205 -8.825 2.736 309 HZ2 LYS 37 HZ2 LYS 37 -10.637 -7.190 2.746 310 HZ3 LYS 37 HZ3 LYS 37 -11.565 -8.314 3.603 311 H LEU 38 HN LEU 38 -6.879 -4.549 3.220 312 HA LEU 38 HA LEU 38 -4.022 -5.146 2.922 313 HB2 LEU 38 HB2 LEU 38 -5.278 -2.780 2.699 314 HB3 LEU 38 HB1 LEU 38 -4.997 -2.765 4.419 315 HG LEU 38 HG LEU 38 -2.763 -2.365 4.194 316 HD11 LEU 38 HD11 LEU 38 -2.003 -4.377 3.257 317 HD12 LEU 38 HD12 LEU 38 -1.442 -3.126 2.144 318 HD13 LEU 38 HD13 LEU 38 -2.859 -4.096 1.740 319 HD21 LEU 38 HD21 LEU 38 -4.048 -1.400 1.678 320 HD22 LEU 38 HD22 LEU 38 -2.313 -1.178 1.908 321 HD23 LEU 38 HD23 LEU 38 -3.454 -0.483 3.062 322 H THR 39 HN THR 39 -3.320 -6.545 4.453 323 HA THR 39 HA THR 39 -4.654 -6.492 7.070 324 HB THR 39 HB THR 39 -2.925 -8.667 5.889 325 HG1 THR 39 HG1 THR 39 -4.858 -8.479 4.747 326 HG21 THR 39 HG21 THR 39 -3.023 -8.705 8.345 327 HG22 THR 39 HG22 THR 39 -3.810 -10.098 7.603 328 HG23 THR 39 HG23 THR 39 -4.782 -8.777 8.250 329 H ILE 40 HN ILE 40 -3.453 -6.699 8.994 330 HA ILE 40 HA ILE 40 -0.617 -5.935 8.820 331 HB ILE 40 HB ILE 40 -2.575 -4.769 10.803 332 HG12 ILE 40 HG12 ILE 40 -1.275 -3.379 8.452 333 HG13 ILE 40 HG11 ILE 40 -2.931 -3.980 8.446 334 HG21 ILE 40 HG21 ILE 40 0.100 -5.063 11.091 335 HG22 ILE 40 HG22 ILE 40 -0.841 -3.767 11.829 336 HG23 ILE 40 HG23 ILE 40 0.023 -3.480 10.318 337 HD11 ILE 40 HD11 ILE 40 -3.441 -2.483 10.332 338 HD12 ILE 40 HD12 ILE 40 -2.918 -1.621 8.886 339 HD13 ILE 40 HD13 ILE 40 -1.802 -1.842 10.233 340 H THR 41 HN THR 41 0.710 -6.951 10.259 341 HA THR 41 HA THR 41 -0.547 -8.573 12.366 342 HB THR 41 HB THR 41 1.847 -9.597 10.886 343 HG1 THR 41 HG1 THR 41 -0.840 -10.075 10.124 344 HG21 THR 41 HG21 THR 41 1.565 -11.178 12.429 345 HG22 THR 41 HG22 THR 41 0.219 -11.708 11.420 346 HG23 THR 41 HG23 THR 41 -0.077 -10.656 12.804 347 H GLN 42 HN GLN 42 0.992 -9.248 14.069 348 HA GLN 42 HA GLN 42 3.003 -7.143 14.508 349 HB2 GLN 42 HB2 GLN 42 0.953 -7.428 16.070 350 HB3 GLN 42 HB1 GLN 42 1.817 -8.825 16.695 351 HG2 GLN 42 HG2 GLN 42 3.781 -7.167 16.993 352 HG3 GLN 42 HG1 GLN 42 2.530 -5.932 16.866 353 HE21 GLN 42 HE21 GLN 42 3.918 -8.409 18.809 354 HE22 GLN 42 HE22 GLN 42 2.970 -8.132 20.227 355 H GLU 43 HN GLU 43 5.068 -7.683 14.696 356 HA GLU 43 HA GLU 43 5.917 -10.236 15.714 357 HB2 GLU 43 HB2 GLU 43 5.971 -9.634 12.801 358 HB3 GLU 43 HB1 GLU 43 7.381 -10.426 13.490 359 HG2 GLU 43 HG2 GLU 43 4.544 -11.421 13.543 360 HG3 GLU 43 HG1 GLU 43 5.886 -12.079 12.609 361 H GLY 44 HN GLY 44 7.002 -8.972 17.233 362 HA2 GLY 44 HA2 GLY 44 8.730 -7.721 18.093 363 HA3 GLY 44 HA1 GLY 44 9.652 -8.328 16.727 364 H ASN 45 HN ASN 45 10.718 -6.554 15.949 365 HA ASN 45 HA ASN 45 9.396 -3.982 15.856 366 HB2 ASN 45 HB2 ASN 45 11.612 -3.411 14.560 367 HB3 ASN 45 HB1 ASN 45 11.630 -3.635 16.300 368 HD21 ASN 45 HD21 ASN 45 12.981 -5.086 17.128 369 HD22 ASN 45 HD22 ASN 45 13.869 -6.257 16.219 370 H LYS 46 HN LYS 46 8.932 -6.585 14.056 371 HA LYS 46 HA LYS 46 8.660 -5.017 11.590 372 HB2 LYS 46 HB2 LYS 46 9.703 -6.579 10.362 373 HB3 LYS 46 HB1 LYS 46 10.300 -7.200 11.891 374 HG2 LYS 46 HG2 LYS 46 8.652 -8.890 11.958 375 HG3 LYS 46 HG1 LYS 46 7.725 -8.146 10.659 376 HD2 LYS 46 HD2 LYS 46 8.983 -10.125 9.913 377 HD3 LYS 46 HD1 LYS 46 9.467 -8.653 9.068 378 HE2 LYS 46 HE2 LYS 46 11.324 -10.205 9.837 379 HE3 LYS 46 HE1 LYS 46 11.481 -8.502 10.262 380 HZ1 LYS 46 HZ1 LYS 46 11.806 -10.448 12.014 381 HZ2 LYS 46 HZ2 LYS 46 10.140 -10.219 12.197 382 HZ3 LYS 46 HZ3 LYS 46 11.203 -8.928 12.450 383 H PHE 47 HN PHE 47 6.928 -5.459 10.236 384 HA PHE 47 HA PHE 47 4.629 -6.712 11.586 385 HB2 PHE 47 HB2 PHE 47 4.625 -4.576 9.445 386 HB3 PHE 47 HB1 PHE 47 3.216 -5.212 10.282 387 HD1 PHE 47 HD1 PHE 47 3.603 -5.116 12.999 388 HD2 PHE 47 HD2 PHE 47 5.269 -2.493 10.093 389 HE1 PHE 47 HE1 PHE 47 3.862 -3.373 14.718 390 HE2 PHE 47 HE2 PHE 47 5.522 -0.750 11.805 391 HZ PHE 47 HZ PHE 47 4.821 -1.189 14.123 392 H THR 48 HN THR 48 2.966 -7.574 10.017 393 HA THR 48 HA THR 48 4.271 -8.773 7.659 394 HB THR 48 HB THR 48 2.079 -10.256 9.025 395 HG1 THR 48 HG1 THR 48 4.751 -10.200 9.972 396 HG21 THR 48 HG21 THR 48 2.830 -11.414 7.178 397 HG22 THR 48 HG22 THR 48 3.740 -12.154 8.495 398 HG23 THR 48 HG23 THR 48 4.513 -10.962 7.450 399 H VAL 49 HN VAL 49 3.320 -8.136 5.840 400 HA VAL 49 HA VAL 49 0.605 -7.064 5.958 401 HB VAL 49 HB VAL 49 2.506 -6.995 3.617 402 HG11 VAL 49 HG11 VAL 49 1.095 -5.213 2.799 403 HG12 VAL 49 HG12 VAL 49 0.097 -5.295 4.251 404 HG13 VAL 49 HG13 VAL 49 0.113 -6.644 3.115 405 HG21 VAL 49 HG21 VAL 49 2.083 -4.949 5.791 406 HG22 VAL 49 HG22 VAL 49 3.016 -4.692 4.317 407 HG23 VAL 49 HG23 VAL 49 3.548 -5.886 5.500 408 H LYS 50 HN LYS 50 -1.061 -8.262 5.410 409 HA LYS 50 HA LYS 50 -0.662 -10.453 3.480 410 HB2 LYS 50 HB2 LYS 50 -1.954 -10.392 6.100 411 HB3 LYS 50 HB1 LYS 50 -2.999 -11.046 4.847 412 HG2 LYS 50 HG2 LYS 50 -1.240 -12.659 4.251 413 HG3 LYS 50 HG1 LYS 50 -0.243 -12.025 5.563 414 HD2 LYS 50 HD2 LYS 50 -3.019 -13.001 6.112 415 HD3 LYS 50 HD1 LYS 50 -1.687 -14.148 5.963 416 HE2 LYS 50 HE2 LYS 50 -1.764 -11.804 7.860 417 HE3 LYS 50 HE1 LYS 50 -2.111 -13.476 8.298 418 HZ1 LYS 50 HZ1 LYS 50 0.471 -12.333 7.405 419 HZ2 LYS 50 HZ2 LYS 50 0.185 -13.999 7.464 420 HZ3 LYS 50 HZ3 LYS 50 0.119 -13.080 8.882 421 H GLU 51 HN GLU 51 -1.479 -9.867 1.574 422 HA GLU 51 HA GLU 51 -3.858 -8.154 1.540 423 HB2 GLU 51 HB2 GLU 51 -1.509 -8.445 -0.215 424 HB3 GLU 51 HB1 GLU 51 -3.039 -8.211 -1.048 425 HG2 GLU 51 HG2 GLU 51 -3.359 -6.107 -0.153 426 HG3 GLU 51 HG1 GLU 51 -2.273 -6.408 1.203 427 H SER 52 HN SER 52 -5.752 -8.915 0.916 428 HA SER 52 HA SER 52 -5.825 -11.509 -0.479 429 HB2 SER 52 HB2 SER 52 -7.359 -10.462 1.832 430 HB3 SER 52 HB1 SER 52 -8.278 -11.387 0.644 431 HG SER 52 HG SER 52 -6.245 -12.206 2.363 432 H SER 53 HN SER 53 -7.439 -11.824 -2.056 433 HA SER 53 HA SER 53 -9.044 -9.547 -2.881 434 HB2 SER 53 HB2 SER 53 -7.178 -10.826 -4.881 435 HB3 SER 53 HB1 SER 53 -8.159 -9.375 -5.085 436 HG SER 53 HG SER 53 -5.700 -9.392 -4.403 437 H ALA 54 HN ALA 54 -9.940 -10.385 -5.291 438 HA ALA 54 HA ALA 54 -11.837 -12.328 -4.659 439 HB1 ALA 54 HB1 ALA 54 -12.202 -10.732 -6.436 440 HB2 ALA 54 HB2 ALA 54 -12.334 -12.371 -7.076 441 HB3 ALA 54 HB3 ALA 54 -10.875 -11.425 -7.370 442 H PHE 55 HN PHE 55 -9.428 -12.786 -7.238 443 HA PHE 55 HA PHE 55 -9.096 -15.563 -6.309 444 HB2 PHE 55 HB2 PHE 55 -9.256 -14.523 -9.141 445 HB3 PHE 55 HB1 PHE 55 -8.732 -16.152 -8.727 446 HD1 PHE 55 HD2 PHE 55 -10.354 -17.645 -7.474 447 HD2 PHE 55 HD1 PHE 55 -11.519 -14.011 -9.358 448 HE1 PHE 55 HE2 PHE 55 -12.697 -18.398 -7.469 449 HE2 PHE 55 HE1 PHE 55 -13.864 -14.757 -9.356 450 HZ PHE 55 HZ PHE 55 -14.455 -16.953 -8.411 451 H ARG 56 HN ARG 56 -7.518 -12.883 -6.089 452 HA ARG 56 HA ARG 56 -4.949 -13.957 -7.053 453 HB2 ARG 56 HB2 ARG 56 -6.010 -11.595 -7.775 454 HB3 ARG 56 HB1 ARG 56 -5.162 -11.090 -6.320 455 HG2 ARG 56 HG2 ARG 56 -3.455 -10.788 -7.745 456 HG3 ARG 56 HG1 ARG 56 -3.225 -12.523 -7.518 457 HD2 ARG 56 HD2 ARG 56 -4.910 -12.720 -9.496 458 HD3 ARG 56 HD1 ARG 56 -4.441 -11.052 -9.819 459 HE ARG 56 HE ARG 56 -2.067 -12.321 -9.595 460 HH11 ARG 56 HH11 ARG 56 -4.934 -12.957 -11.481 461 HH12 ARG 56 HH12 ARG 56 -4.066 -13.703 -12.780 462 HH21 ARG 56 HH21 ARG 56 -0.923 -13.302 -11.303 463 HH22 ARG 56 HH22 ARG 56 -1.789 -13.900 -12.679 464 H ASN 57 HN ASN 57 -3.049 -13.361 -5.718 465 HA ASN 57 HA ASN 57 -3.697 -13.031 -2.873 466 HB2 ASN 57 HB2 ASN 57 -3.116 -15.478 -3.844 467 HB3 ASN 57 HB1 ASN 57 -1.486 -14.896 -3.520 468 HD21 ASN 57 HD21 ASN 57 -0.793 -15.632 -1.658 469 HD22 ASN 57 HD22 ASN 57 -1.715 -15.766 -0.203 470 H ILE 58 HN ILE 58 -2.372 -11.693 -1.788 471 HA ILE 58 HA ILE 58 0.283 -11.088 -2.814 472 HB ILE 58 HB ILE 58 -1.482 -8.745 -2.211 473 HG12 ILE 58 HG12 ILE 58 -1.139 -9.944 -4.967 474 HG13 ILE 58 HG11 ILE 58 -2.597 -10.107 -3.994 475 HG21 ILE 58 HG21 ILE 58 0.206 -7.884 -4.065 476 HG22 ILE 58 HG22 ILE 58 1.157 -9.242 -3.464 477 HG23 ILE 58 HG23 ILE 58 0.648 -7.965 -2.360 478 HD11 ILE 58 HD11 ILE 58 -1.506 -7.716 -5.388 479 HD12 ILE 58 HD12 ILE 58 -2.510 -7.501 -3.954 480 HD13 ILE 58 HD13 ILE 58 -3.150 -8.354 -5.359 481 H GLU 59 HN GLU 59 1.650 -10.073 -1.284 482 HA GLU 59 HA GLU 59 0.883 -9.168 1.245 483 HB2 GLU 59 HB2 GLU 59 1.791 -11.175 2.565 484 HB3 GLU 59 HB1 GLU 59 0.171 -11.308 1.895 485 HG2 GLU 59 HG2 GLU 59 1.944 -12.276 -0.066 486 HG3 GLU 59 HG1 GLU 59 2.443 -12.979 1.472 487 H VAL 60 HN VAL 60 2.703 -8.662 2.612 488 HA VAL 60 HA VAL 60 5.366 -9.313 1.746 489 HB VAL 60 HB VAL 60 5.994 -6.852 1.472 490 HG11 VAL 60 HG11 VAL 60 5.955 -7.095 -0.785 491 HG12 VAL 60 HG12 VAL 60 4.278 -7.636 -0.813 492 HG13 VAL 60 HG13 VAL 60 5.556 -8.750 -0.326 493 HG21 VAL 60 HG21 VAL 60 3.707 -6.091 2.304 494 HG22 VAL 60 HG22 VAL 60 3.109 -6.513 0.699 495 HG23 VAL 60 HG23 VAL 60 4.352 -5.272 0.880 496 H VAL 61 HN VAL 61 6.132 -9.808 3.735 497 HA VAL 61 HA VAL 61 5.379 -8.501 6.131 498 HB VAL 61 HB VAL 61 6.321 -10.740 6.210 499 HG11 VAL 61 HG11 VAL 61 8.523 -9.452 4.726 500 HG12 VAL 61 HG12 VAL 61 7.862 -11.082 4.595 501 HG13 VAL 61 HG13 VAL 61 8.978 -10.685 5.901 502 HG21 VAL 61 HG21 VAL 61 6.620 -9.468 8.219 503 HG22 VAL 61 HG22 VAL 61 8.055 -8.678 7.566 504 HG23 VAL 61 HG23 VAL 61 8.090 -10.401 7.939 505 H PHE 62 HN PHE 62 6.640 -6.997 7.432 506 HA PHE 62 HA PHE 62 8.846 -5.676 6.052 507 HB2 PHE 62 HB2 PHE 62 6.259 -4.320 6.774 508 HB3 PHE 62 HB1 PHE 62 7.749 -3.437 6.445 509 HD1 PHE 62 HD2 PHE 62 8.943 -4.632 4.208 510 HD2 PHE 62 HD1 PHE 62 4.800 -4.165 5.040 511 HE1 PHE 62 HE2 PHE 62 8.458 -4.710 1.800 512 HE2 PHE 62 HE1 PHE 62 4.303 -4.239 2.636 513 HZ PHE 62 HZ PHE 62 6.135 -4.513 1.008 514 H GLU 63 HN GLU 63 9.854 -3.972 7.347 515 HA GLU 63 HA GLU 63 9.525 -4.313 10.230 516 HB2 GLU 63 HB2 GLU 63 11.336 -5.831 9.254 517 HB3 GLU 63 HB1 GLU 63 12.233 -4.358 8.937 518 HG2 GLU 63 HG2 GLU 63 11.785 -3.905 11.479 519 HG3 GLU 63 HG1 GLU 63 11.567 -5.654 11.529 520 H LEU 64 HN LEU 64 10.290 -2.582 11.490 521 HA LEU 64 HA LEU 64 10.031 -0.043 10.237 522 HB2 LEU 64 HB2 LEU 64 11.016 -0.736 13.001 523 HB3 LEU 64 HB1 LEU 64 10.493 0.852 12.471 524 HG LEU 64 HG LEU 64 8.807 -1.611 12.901 525 HD11 LEU 64 HD11 LEU 64 7.735 -0.366 14.567 526 HD12 LEU 64 HD12 LEU 64 8.383 1.164 13.973 527 HD13 LEU 64 HD13 LEU 64 9.445 0.010 14.780 528 HD21 LEU 64 HD21 LEU 64 7.592 -0.941 11.144 529 HD22 LEU 64 HD22 LEU 64 8.363 0.645 11.084 530 HD23 LEU 64 HD23 LEU 64 7.043 0.347 12.215 531 H GLY 65 HN GLY 65 11.596 0.601 8.841 532 HA2 GLY 65 HA2 GLY 65 13.682 1.760 8.637 533 HA3 GLY 65 HA1 GLY 65 14.335 0.751 9.919 534 H VAL 66 HN VAL 66 12.418 -0.643 7.404 535 HA VAL 66 HA VAL 66 14.830 -1.619 6.048 536 HB VAL 66 HB VAL 66 12.469 -3.332 6.846 537 HG11 VAL 66 HG11 VAL 66 14.345 -5.068 6.012 538 HG12 VAL 66 HG12 VAL 66 14.695 -3.712 4.940 539 HG13 VAL 66 HG13 VAL 66 13.083 -4.427 4.960 540 HG21 VAL 66 HG21 VAL 66 15.340 -3.401 7.768 541 HG22 VAL 66 HG22 VAL 66 14.045 -4.476 8.294 542 HG23 VAL 66 HG23 VAL 66 13.986 -2.757 8.697 543 H THR 67 HN THR 67 14.645 -2.008 3.896 544 HA THR 67 HA THR 67 12.987 -0.352 2.446 545 HB THR 67 HB THR 67 14.777 -2.631 1.783 546 HG1 THR 67 HG1 THR 67 14.695 0.076 0.955 547 HG21 THR 67 HG21 THR 67 12.975 -2.908 0.150 548 HG22 THR 67 HG22 THR 67 14.460 -2.329 -0.603 549 HG23 THR 67 HG23 THR 67 13.131 -1.209 -0.301 550 H PHE 68 HN PHE 68 11.475 -0.922 0.739 551 HA PHE 68 HA PHE 68 9.513 -2.893 1.661 552 HB2 PHE 68 HB2 PHE 68 9.297 -0.213 0.748 553 HB3 PHE 68 HB1 PHE 68 8.548 -1.223 -0.478 554 HD1 PHE 68 HD1 PHE 68 8.608 -1.870 3.165 555 HD2 PHE 68 HD2 PHE 68 6.293 -0.639 -0.181 556 HE1 PHE 68 HE1 PHE 68 6.565 -2.006 4.523 557 HE2 PHE 68 HE2 PHE 68 4.247 -0.806 1.162 558 HZ PHE 68 HZ PHE 68 4.382 -1.474 3.524 559 H ASN 69 HN ASN 69 8.377 -4.139 -0.037 560 HA ASN 69 HA ASN 69 9.857 -4.432 -2.537 561 HB2 ASN 69 HB2 ASN 69 9.691 -6.477 -0.380 562 HB3 ASN 69 HB1 ASN 69 9.588 -7.035 -2.047 563 HD21 ASN 69 HD21 ASN 69 11.459 -7.712 -2.766 564 HD22 ASN 69 HD22 ASN 69 13.004 -7.026 -2.409 565 H TYR 70 HN TYR 70 8.698 -5.299 -4.235 566 HA TYR 70 HA TYR 70 6.144 -6.507 -3.930 567 HB2 TYR 70 HB2 TYR 70 6.092 -3.729 -3.780 568 HB3 TYR 70 HB1 TYR 70 5.637 -4.074 -5.443 569 HD1 TYR 70 HD1 TYR 70 3.715 -5.703 -5.842 570 HD2 TYR 70 HD2 TYR 70 4.540 -3.985 -2.038 571 HE1 TYR 70 HE1 TYR 70 1.430 -6.241 -5.109 572 HE2 TYR 70 HE2 TYR 70 2.258 -4.518 -1.295 573 HH TYR 70 HH TYR 70 -0.187 -5.555 -3.465 574 H ASN 71 HN ASN 71 8.125 -7.586 -5.204 575 HA ASN 71 HA ASN 71 8.414 -6.854 -7.940 576 HB2 ASN 71 HB2 ASN 71 9.218 -9.217 -6.283 577 HB3 ASN 71 HB1 ASN 71 9.340 -9.304 -8.038 578 HD21 ASN 71 HD21 ASN 71 10.893 -8.139 -9.090 579 HD22 ASN 71 HD22 ASN 71 12.155 -7.288 -8.274 580 H LEU 72 HN LEU 72 7.270 -7.429 -9.686 581 HA LEU 72 HA LEU 72 5.813 -9.780 -10.033 582 HB2 LEU 72 HB2 LEU 72 4.491 -8.221 -8.244 583 HB3 LEU 72 HB1 LEU 72 3.780 -7.663 -9.746 584 HG LEU 72 HG LEU 72 2.383 -9.389 -8.857 585 HD11 LEU 72 HD11 LEU 72 2.126 -10.650 -10.748 586 HD12 LEU 72 HD12 LEU 72 3.859 -10.907 -10.948 587 HD13 LEU 72 HD13 LEU 72 3.143 -9.352 -11.371 588 HD21 LEU 72 HD21 LEU 72 4.097 -10.426 -7.409 589 HD22 LEU 72 HD22 LEU 72 4.807 -11.183 -8.835 590 HD23 LEU 72 HD23 LEU 72 3.170 -11.608 -8.333 591 H ALA 73 HN ALA 73 5.186 -9.996 -12.133 592 HA ALA 73 HA ALA 73 6.161 -8.225 -14.058 593 HB1 ALA 73 HB1 ALA 73 5.888 -10.330 -14.910 594 HB2 ALA 73 HB2 ALA 73 4.438 -9.554 -15.547 595 HB3 ALA 73 HB3 ALA 73 4.335 -10.573 -14.111 596 H ASP 74 HN ASP 74 2.706 -8.978 -13.617 597 HA ASP 74 HA ASP 74 1.858 -6.594 -14.912 598 HB2 ASP 74 HB2 ASP 74 0.556 -8.863 -13.508 599 HB3 ASP 74 HB1 ASP 74 -0.365 -7.365 -13.600 600 H GLY 75 HN GLY 75 3.310 -5.200 -13.517 601 HA2 GLY 75 HA2 GLY 75 2.015 -3.406 -11.999 602 HA3 GLY 75 HA1 GLY 75 2.352 -4.678 -10.829 603 H THR 76 HN THR 76 4.810 -5.321 -12.451 604 HA THR 76 HA THR 76 7.008 -4.907 -12.442 605 HB THR 76 HB THR 76 6.002 -2.087 -12.326 606 HG1 THR 76 HG1 THR 76 6.707 -3.815 -14.435 607 HG21 THR 76 HG21 THR 76 8.462 -2.475 -11.704 608 HG22 THR 76 HG22 THR 76 8.070 -1.273 -12.933 609 HG23 THR 76 HG23 THR 76 8.655 -2.866 -13.411 610 H GLU 77 HN GLU 77 8.650 -4.816 -10.997 611 HA GLU 77 HA GLU 77 8.030 -4.969 -8.277 612 HB2 GLU 77 HB2 GLU 77 10.441 -5.115 -7.911 613 HB3 GLU 77 HB1 GLU 77 9.939 -6.116 -9.266 614 HG2 GLU 77 HG2 GLU 77 10.567 -3.782 -10.514 615 HG3 GLU 77 HG1 GLU 77 11.729 -3.806 -9.188 616 H LEU 78 HN LEU 78 8.176 -3.637 -6.596 617 HA LEU 78 HA LEU 78 9.213 -0.922 -6.981 618 HB2 LEU 78 HB2 LEU 78 6.451 -1.710 -6.369 619 HB3 LEU 78 HB1 LEU 78 7.109 -0.543 -5.244 620 HG LEU 78 HG LEU 78 7.671 0.256 -7.959 621 HD11 LEU 78 HD11 LEU 78 5.605 -1.058 -8.403 622 HD12 LEU 78 HD12 LEU 78 5.450 0.668 -8.744 623 HD13 LEU 78 HD13 LEU 78 4.755 -0.003 -7.268 624 HD21 LEU 78 HD21 LEU 78 6.096 1.480 -5.715 625 HD22 LEU 78 HD22 LEU 78 6.483 2.295 -7.229 626 HD23 LEU 78 HD23 LEU 78 7.778 1.802 -6.140 627 H ARG 79 HN ARG 79 10.603 -0.388 -5.390 628 HA ARG 79 HA ARG 79 10.370 -1.766 -2.799 629 HB2 ARG 79 HB2 ARG 79 12.993 -1.259 -4.182 630 HB3 ARG 79 HB1 ARG 79 12.706 -2.221 -2.736 631 HG2 ARG 79 HG2 ARG 79 11.138 -3.538 -4.471 632 HG3 ARG 79 HG1 ARG 79 12.368 -2.923 -5.577 633 HD2 ARG 79 HD2 ARG 79 14.098 -3.865 -4.026 634 HD3 ARG 79 HD1 ARG 79 12.786 -4.635 -3.134 635 HE ARG 79 HE ARG 79 12.428 -5.422 -5.731 636 HH11 ARG 79 HH11 ARG 79 15.026 -5.638 -3.411 637 HH12 ARG 79 HH12 ARG 79 15.655 -7.112 -4.065 638 HH21 ARG 79 HH21 ARG 79 13.254 -7.362 -6.592 639 HH22 ARG 79 HH22 ARG 79 14.649 -8.091 -5.871 640 H GLY 80 HN GLY 80 10.434 -0.428 -1.102 641 HA2 GLY 80 HA2 GLY 80 11.997 2.048 -1.278 642 HA3 GLY 80 HA1 GLY 80 10.292 2.188 -0.898 643 H THR 81 HN THR 81 9.789 2.230 1.231 644 HA THR 81 HA THR 81 11.142 0.518 3.101 645 HB THR 81 HB THR 81 11.717 2.477 4.650 646 HG1 THR 81 HG1 THR 81 12.195 4.416 3.527 647 HG21 THR 81 HG21 THR 81 13.904 2.819 3.735 648 HG22 THR 81 HG22 THR 81 13.380 2.252 2.150 649 HG23 THR 81 HG23 THR 81 13.442 1.133 3.512 650 H TRP 82 HN TRP 82 10.379 1.093 5.420 651 HA TRP 82 HA TRP 82 7.682 2.218 5.526 652 HB2 TRP 82 HB2 TRP 82 8.050 -0.551 5.227 653 HB3 TRP 82 HB1 TRP 82 7.755 -0.329 6.948 654 HD1 TRP 82 HD1 TRP 82 6.110 1.411 3.905 655 HE1 TRP 82 HE1 TRP 82 3.559 1.154 4.120 656 HE3 TRP 82 HE3 TRP 82 5.945 -1.450 8.133 657 HZ2 TRP 82 HZ2 TRP 82 1.720 -0.102 5.851 658 HZ3 TRP 82 HZ3 TRP 82 3.745 -2.140 9.001 659 HH2 TRP 82 HH2 TRP 82 1.680 -1.480 7.883 660 H SER 83 HN SER 83 7.314 3.179 7.495 661 HA SER 83 HA SER 83 8.865 2.387 9.813 662 HB2 SER 83 HB2 SER 83 9.309 4.963 8.354 663 HB3 SER 83 HB1 SER 83 9.483 4.921 10.109 664 HG SER 83 HG SER 83 11.120 3.917 8.165 665 H LEU 84 HN LEU 84 8.059 3.149 11.773 666 HA LEU 84 HA LEU 84 5.411 4.431 11.607 667 HB2 LEU 84 HB2 LEU 84 6.196 1.966 12.778 668 HB3 LEU 84 HB1 LEU 84 5.763 3.050 14.082 669 HG LEU 84 HG LEU 84 3.771 3.220 12.030 670 HD11 LEU 84 HD11 LEU 84 4.222 0.432 13.070 671 HD12 LEU 84 HD12 LEU 84 4.586 0.961 11.427 672 HD13 LEU 84 HD13 LEU 84 2.922 0.976 12.011 673 HD21 LEU 84 HD21 LEU 84 3.962 2.578 14.921 674 HD22 LEU 84 HD22 LEU 84 2.487 2.117 14.071 675 HD23 LEU 84 HD23 LEU 84 3.001 3.804 14.092 676 H GLU 85 HN GLU 85 5.064 6.221 12.807 677 HA GLU 85 HA GLU 85 7.066 6.941 14.828 678 HB2 GLU 85 HB2 GLU 85 5.971 8.769 12.685 679 HB3 GLU 85 HB1 GLU 85 6.997 9.275 14.016 680 HG2 GLU 85 HG2 GLU 85 8.142 7.077 12.510 681 HG3 GLU 85 HG1 GLU 85 7.829 8.497 11.512 682 H GLY 86 HN GLY 86 5.700 6.535 16.547 683 HA2 GLY 86 HA2 GLY 86 4.106 7.044 18.117 684 HA3 GLY 86 HA1 GLY 86 3.934 8.594 17.310 685 H ASN 87 HN ASN 87 2.098 8.999 16.245 686 HA ASN 87 HA ASN 87 0.219 6.762 15.925 687 HB2 ASN 87 HB2 ASN 87 -0.116 9.632 16.625 688 HB3 ASN 87 HB1 ASN 87 -1.392 8.882 15.671 689 HD21 ASN 87 HD21 ASN 87 -1.747 6.477 16.598 690 HD22 ASN 87 HD22 ASN 87 -2.113 6.465 18.287 691 H LYS 88 HN LYS 88 2.381 7.779 14.031 692 HA LYS 88 HA LYS 88 0.643 7.867 11.677 693 HB2 LYS 88 HB2 LYS 88 2.059 9.592 10.631 694 HB3 LYS 88 HB1 LYS 88 1.254 10.185 12.076 695 HG2 LYS 88 HG2 LYS 88 3.938 9.074 12.510 696 HG3 LYS 88 HG1 LYS 88 3.872 10.539 11.530 697 HD2 LYS 88 HD2 LYS 88 2.546 11.628 13.309 698 HD3 LYS 88 HD1 LYS 88 2.722 10.175 14.296 699 HE2 LYS 88 HE2 LYS 88 5.305 10.667 13.658 700 HE3 LYS 88 HE1 LYS 88 4.660 12.308 13.695 701 HZ1 LYS 88 HZ1 LYS 88 3.621 11.340 15.933 702 HZ2 LYS 88 HZ2 LYS 88 5.131 12.100 15.875 703 HZ3 LYS 88 HZ3 LYS 88 5.035 10.412 15.867 704 H LEU 89 HN LEU 89 1.301 6.567 10.070 705 HA LEU 89 HA LEU 89 3.970 5.345 10.332 706 HB2 LEU 89 HB2 LEU 89 2.014 3.905 8.693 707 HB3 LEU 89 HB1 LEU 89 3.131 3.305 9.900 708 HG LEU 89 HG LEU 89 1.031 2.778 10.747 709 HD11 LEU 89 HD11 LEU 89 0.898 5.181 12.305 710 HD12 LEU 89 HD12 LEU 89 2.575 4.683 12.090 711 HD13 LEU 89 HD13 LEU 89 1.403 3.561 12.782 712 HD21 LEU 89 HD21 LEU 89 0.177 5.053 9.243 713 HD22 LEU 89 HD22 LEU 89 -0.454 5.162 10.886 714 HD23 LEU 89 HD23 LEU 89 -0.783 3.733 9.908 715 H ILE 90 HN ILE 90 5.260 5.142 8.524 716 HA ILE 90 HA ILE 90 4.241 6.377 6.056 717 HB ILE 90 HB ILE 90 7.096 6.705 6.917 718 HG12 ILE 90 HG12 ILE 90 6.028 9.149 7.390 719 HG13 ILE 90 HG11 ILE 90 4.688 8.125 7.889 720 HG21 ILE 90 HG21 ILE 90 6.765 8.760 5.408 721 HG22 ILE 90 HG22 ILE 90 5.293 7.952 4.869 722 HG23 ILE 90 HG23 ILE 90 6.860 7.172 4.644 723 HD11 ILE 90 HD11 ILE 90 6.077 7.006 9.492 724 HD12 ILE 90 HD12 ILE 90 6.206 8.749 9.731 725 HD13 ILE 90 HD13 ILE 90 7.502 7.871 8.917 726 H GLY 91 HN GLY 91 4.731 5.428 4.201 727 HA2 GLY 91 HA2 GLY 91 6.691 3.251 4.147 728 HA3 GLY 91 HA1 GLY 91 5.059 2.984 3.541 729 H LYS 92 HN LYS 92 7.452 2.738 1.980 730 HA LYS 92 HA LYS 92 6.711 4.537 -0.153 731 HB2 LYS 92 HB2 LYS 92 9.367 4.991 -0.324 732 HB3 LYS 92 HB1 LYS 92 8.236 6.083 0.458 733 HG2 LYS 92 HG2 LYS 92 9.293 3.980 2.206 734 HG3 LYS 92 HG1 LYS 92 10.501 5.111 1.593 735 HD2 LYS 92 HD2 LYS 92 7.926 5.975 2.897 736 HD3 LYS 92 HD1 LYS 92 9.437 5.750 3.781 737 HE2 LYS 92 HE2 LYS 92 8.868 7.711 1.569 738 HE3 LYS 92 HE1 LYS 92 9.237 8.068 3.256 739 HZ1 LYS 92 HZ1 LYS 92 11.065 7.001 1.183 740 HZ2 LYS 92 HZ2 LYS 92 11.443 6.971 2.831 741 HZ3 LYS 92 HZ3 LYS 92 11.202 8.450 2.047 742 H PHE 93 HN PHE 93 7.764 4.058 -2.178 743 HA PHE 93 HA PHE 93 9.053 1.425 -2.323 744 HB2 PHE 93 HB2 PHE 93 6.772 2.344 -4.088 745 HB3 PHE 93 HB1 PHE 93 7.805 0.976 -4.431 746 HD1 PHE 93 HD2 PHE 93 5.156 2.222 -2.187 747 HD2 PHE 93 HD1 PHE 93 7.516 -1.112 -3.392 748 HE1 PHE 93 HE2 PHE 93 3.620 0.707 -1.008 749 HE2 PHE 93 HE1 PHE 93 5.968 -2.630 -2.228 750 HZ PHE 93 HZ PHE 93 4.015 -1.721 -1.037 751 H LYS 94 HN LYS 94 9.859 1.108 -4.671 752 HA LYS 94 HA LYS 94 10.563 3.535 -6.054 753 HB2 LYS 94 HB2 LYS 94 12.348 3.055 -4.219 754 HB3 LYS 94 HB1 LYS 94 12.868 1.768 -5.299 755 HG2 LYS 94 HG2 LYS 94 14.143 3.295 -6.255 756 HG3 LYS 94 HG1 LYS 94 12.655 3.913 -6.968 757 HD2 LYS 94 HD2 LYS 94 12.846 5.815 -5.827 758 HD3 LYS 94 HD1 LYS 94 12.940 4.930 -4.303 759 HE2 LYS 94 HE2 LYS 94 15.404 4.480 -5.294 760 HE3 LYS 94 HE1 LYS 94 15.074 6.077 -5.971 761 HZ1 LYS 94 HZ1 LYS 94 14.549 5.597 -3.120 762 HZ2 LYS 94 HZ2 LYS 94 14.980 7.032 -3.905 763 HZ3 LYS 94 HZ3 LYS 94 16.146 5.839 -3.627 764 H ARG 95 HN ARG 95 10.868 3.205 -8.206 765 HA ARG 95 HA ARG 95 10.265 0.566 -9.211 766 HB2 ARG 95 HB2 ARG 95 10.726 3.216 -10.569 767 HB3 ARG 95 HB1 ARG 95 10.449 1.724 -11.457 768 HG2 ARG 95 HG2 ARG 95 8.380 1.789 -9.628 769 HG3 ARG 95 HG1 ARG 95 8.561 3.471 -10.126 770 HD2 ARG 95 HD2 ARG 95 7.775 3.064 -12.187 771 HD3 ARG 95 HD1 ARG 95 8.695 1.568 -12.341 772 HE ARG 95 HE ARG 95 5.965 1.771 -11.748 773 HH11 ARG 95 HH11 ARG 95 8.799 0.020 -10.701 774 HH12 ARG 95 HH12 ARG 95 7.899 -1.355 -10.159 775 HH21 ARG 95 HH21 ARG 95 4.787 -0.041 -11.042 776 HH22 ARG 95 HH22 ARG 95 5.624 -1.392 -10.356 777 H THR 96 HN THR 96 11.504 -0.628 -10.633 778 HA THR 96 HA THR 96 14.315 -0.580 -10.073 779 HB THR 96 HB THR 96 12.645 -2.577 -10.472 780 HG1 THR 96 HG1 THR 96 14.480 -3.855 -10.998 781 HG21 THR 96 HG21 THR 96 12.394 -3.432 -12.547 782 HG22 THR 96 HG22 THR 96 13.902 -2.739 -13.142 783 HG23 THR 96 HG23 THR 96 12.470 -1.723 -12.976 784 H ASP 97 HN ASP 97 12.276 0.558 -12.629 785 HA ASP 97 HA ASP 97 13.910 0.566 -14.836 786 HB2 ASP 97 HB2 ASP 97 11.580 1.366 -14.840 787 HB3 ASP 97 HB1 ASP 97 12.074 2.804 -13.951 788 H ASN 98 HN ASN 98 14.008 2.719 -12.057 789 HA ASN 98 HA ASN 98 16.724 3.327 -12.333 790 HB2 ASN 98 HB2 ASN 98 15.436 4.666 -14.268 791 HB3 ASN 98 HB1 ASN 98 15.222 5.818 -12.953 792 HD21 ASN 98 HD21 ASN 98 16.706 7.324 -12.908 793 HD22 ASN 98 HD22 ASN 98 18.359 7.151 -13.380 794 H GLY 99 HN GLY 99 14.928 2.586 -10.296 795 HA2 GLY 99 HA2 GLY 99 14.306 3.092 -8.156 796 HA3 GLY 99 HA1 GLY 99 15.741 4.100 -8.148 797 H ASN 100 HN ASN 100 12.416 4.179 -9.444 798 HA ASN 100 HA ASN 100 12.317 7.048 -9.259 799 HB2 ASN 100 HB2 ASN 100 10.246 4.953 -9.915 800 HB3 ASN 100 HB1 ASN 100 9.850 6.666 -9.806 801 HD21 ASN 100 HD21 ASN 100 12.082 4.425 -11.392 802 HD22 ASN 100 HD22 ASN 100 12.170 5.295 -12.882 803 H GLU 101 HN GLU 101 11.364 8.275 -7.689 804 HA GLU 101 HA GLU 101 11.148 7.120 -5.112 805 HB2 GLU 101 HB2 GLU 101 11.158 9.817 -6.257 806 HB3 GLU 101 HB1 GLU 101 10.175 9.653 -4.807 807 HG2 GLU 101 HG2 GLU 101 12.756 8.354 -4.559 808 HG3 GLU 101 HG1 GLU 101 12.888 10.075 -4.901 809 H LEU 102 HN LEU 102 9.484 6.618 -3.912 810 HA LEU 102 HA LEU 102 6.779 7.366 -4.699 811 HB2 LEU 102 HB2 LEU 102 7.497 5.127 -5.710 812 HB3 LEU 102 HB1 LEU 102 7.449 4.502 -4.073 813 HG LEU 102 HG LEU 102 4.994 5.893 -4.845 814 HD11 LEU 102 HD11 LEU 102 4.485 4.898 -6.749 815 HD12 LEU 102 HD12 LEU 102 4.849 3.314 -6.066 816 HD13 LEU 102 HD13 LEU 102 6.129 4.265 -6.818 817 HD21 LEU 102 HD21 LEU 102 4.088 4.462 -3.390 818 HD22 LEU 102 HD22 LEU 102 5.756 4.111 -2.937 819 HD23 LEU 102 HD23 LEU 102 4.919 3.074 -4.092 820 H ASN 103 HN ASN 103 6.082 8.362 -2.916 821 HA ASN 103 HA ASN 103 6.877 7.324 -0.293 822 HB2 ASN 103 HB2 ASN 103 5.580 10.000 -0.740 823 HB3 ASN 103 HB1 ASN 103 6.620 9.481 0.585 824 HD21 ASN 103 HD21 ASN 103 8.786 9.696 0.412 825 HD22 ASN 103 HD22 ASN 103 9.583 10.408 -0.945 826 H THR 104 HN THR 104 5.373 7.196 1.394 827 HA THR 104 HA THR 104 2.546 7.355 0.746 828 HB THR 104 HB THR 104 1.992 5.148 1.123 829 HG1 THR 104 HG1 THR 104 3.353 3.704 2.262 830 HG21 THR 104 HG21 THR 104 3.659 5.381 -0.841 831 HG22 THR 104 HG22 THR 104 3.216 3.778 -0.256 832 HG23 THR 104 HG23 THR 104 4.755 4.495 0.218 833 H VAL 105 HN VAL 105 1.666 8.510 2.297 834 HA VAL 105 HA VAL 105 2.798 8.343 5.007 835 HB VAL 105 HB VAL 105 1.036 10.535 3.909 836 HG11 VAL 105 HG11 VAL 105 2.433 11.645 5.919 837 HG12 VAL 105 HG12 VAL 105 2.333 9.983 6.501 838 HG13 VAL 105 HG13 VAL 105 0.859 10.879 6.135 839 HG21 VAL 105 HG21 VAL 105 3.945 10.086 3.688 840 HG22 VAL 105 HG22 VAL 105 3.442 11.710 4.158 841 HG23 VAL 105 HG23 VAL 105 2.855 11.006 2.651 842 H ARG 106 HN ARG 106 1.652 7.262 6.456 843 HA ARG 106 HA ARG 106 -1.260 7.042 6.060 844 HB2 ARG 106 HB2 ARG 106 0.669 5.091 7.325 845 HB3 ARG 106 HB1 ARG 106 -1.079 4.911 7.363 846 HG2 ARG 106 HG2 ARG 106 -0.796 5.154 4.744 847 HG3 ARG 106 HG1 ARG 106 0.821 4.553 5.116 848 HD2 ARG 106 HD2 ARG 106 -0.454 2.759 6.500 849 HD3 ARG 106 HD1 ARG 106 -1.832 3.226 5.505 850 HE ARG 106 HE ARG 106 0.334 2.734 3.812 851 HH11 ARG 106 HH11 ARG 106 -1.759 0.985 5.989 852 HH12 ARG 106 HH12 ARG 106 -1.620 -0.508 5.123 853 HH21 ARG 106 HH21 ARG 106 0.518 0.771 2.671 854 HH22 ARG 106 HH22 ARG 106 -0.327 -0.630 3.240 855 H GLU 107 HN GLU 107 -2.379 8.204 7.460 856 HA GLU 107 HA GLU 107 -1.286 8.590 10.170 857 HB2 GLU 107 HB2 GLU 107 -3.387 10.394 9.050 858 HB3 GLU 107 HB1 GLU 107 -2.163 10.731 10.262 859 HG2 GLU 107 HG2 GLU 107 -1.511 11.966 8.398 860 HG3 GLU 107 HG1 GLU 107 -0.467 10.546 8.377 861 H ILE 108 HN ILE 108 -2.511 8.029 11.885 862 HA ILE 108 HA ILE 108 -4.892 6.477 11.372 863 HB ILE 108 HB ILE 108 -3.711 7.171 14.059 864 HG12 ILE 108 HG12 ILE 108 -2.108 6.051 12.401 865 HG13 ILE 108 HG11 ILE 108 -2.320 5.269 13.962 866 HG21 ILE 108 HG21 ILE 108 -5.985 5.621 13.194 867 HG22 ILE 108 HG22 ILE 108 -5.509 6.115 14.818 868 HG23 ILE 108 HG23 ILE 108 -4.854 4.634 14.120 869 HD11 ILE 108 HD11 ILE 108 -2.719 3.391 12.857 870 HD12 ILE 108 HD12 ILE 108 -2.784 4.244 11.316 871 HD13 ILE 108 HD13 ILE 108 -4.235 4.103 12.308 872 H ILE 109 HN ILE 109 -6.564 7.781 10.804 873 HA ILE 109 HA ILE 109 -7.167 10.133 12.398 874 HB ILE 109 HB ILE 109 -7.304 9.966 9.819 875 HG12 ILE 109 HG12 ILE 109 -9.038 11.637 9.741 876 HG13 ILE 109 HG11 ILE 109 -9.686 11.100 11.288 877 HG21 ILE 109 HG21 ILE 109 -10.117 9.247 10.003 878 HG22 ILE 109 HG22 ILE 109 -9.027 7.922 10.406 879 HG23 ILE 109 HG23 ILE 109 -8.888 8.736 8.845 880 HD11 ILE 109 HD11 ILE 109 -8.296 13.215 11.291 881 HD12 ILE 109 HD12 ILE 109 -6.901 12.173 11.004 882 HD13 ILE 109 HD13 ILE 109 -7.861 11.978 12.472 883 H GLY 110 HN GLY 110 -7.368 8.200 14.055 884 HA2 GLY 110 HA2 GLY 110 -8.935 7.572 15.643 885 HA3 GLY 110 HA1 GLY 110 -10.220 8.000 14.542 886 H ASP 111 HN ASP 111 -11.393 6.296 14.124 887 HA ASP 111 HA ASP 111 -10.301 3.633 14.195 888 HB2 ASP 111 HB2 ASP 111 -13.040 4.754 13.630 889 HB3 ASP 111 HB1 ASP 111 -12.679 3.047 13.391 890 H GLU 112 HN GLU 112 -10.423 6.074 11.874 891 HA GLU 112 HA GLU 112 -10.330 4.135 9.661 892 HB2 GLU 112 HB2 GLU 112 -10.894 7.105 9.616 893 HB3 GLU 112 HB1 GLU 112 -10.841 6.063 8.204 894 HG2 GLU 112 HG2 GLU 112 -13.116 6.656 9.092 895 HG3 GLU 112 HG1 GLU 112 -12.809 4.946 8.817 896 H LEU 113 HN LEU 113 -8.844 4.782 7.852 897 HA LEU 113 HA LEU 113 -6.401 6.043 8.916 898 HB2 LEU 113 HB2 LEU 113 -6.708 3.405 8.069 899 HB3 LEU 113 HB1 LEU 113 -5.919 4.202 6.724 900 HG LEU 113 HG LEU 113 -4.206 3.287 8.074 901 HD11 LEU 113 HD11 LEU 113 -3.597 5.748 9.272 902 HD12 LEU 113 HD12 LEU 113 -4.484 6.120 7.795 903 HD13 LEU 113 HD13 LEU 113 -3.031 5.127 7.722 904 HD21 LEU 113 HD21 LEU 113 -4.198 3.154 10.327 905 HD22 LEU 113 HD22 LEU 113 -5.933 3.381 10.122 906 HD23 LEU 113 HD23 LEU 113 -4.907 4.753 10.535 907 H VAL 114 HN VAL 114 -5.623 7.705 7.799 908 HA VAL 114 HA VAL 114 -6.736 8.225 5.116 909 HB VAL 114 HB VAL 114 -7.252 10.070 6.525 910 HG11 VAL 114 HG11 VAL 114 -4.847 11.133 7.463 911 HG12 VAL 114 HG12 VAL 114 -4.764 9.407 7.811 912 HG13 VAL 114 HG13 VAL 114 -6.120 10.364 8.410 913 HG21 VAL 114 HG21 VAL 114 -5.654 10.375 4.289 914 HG22 VAL 114 HG22 VAL 114 -4.903 11.428 5.488 915 HG23 VAL 114 HG23 VAL 114 -6.605 11.636 5.074 916 H GLN 115 HN GLN 115 -5.383 7.431 3.625 917 HA GLN 115 HA GLN 115 -2.497 7.647 4.097 918 HB2 GLN 115 HB2 GLN 115 -3.966 5.913 2.109 919 HB3 GLN 115 HB1 GLN 115 -2.240 5.882 2.442 920 HG2 GLN 115 HG2 GLN 115 -2.535 4.447 4.092 921 HG3 GLN 115 HG1 GLN 115 -3.665 5.540 4.889 922 HE21 GLN 115 HE21 GLN 115 -5.908 5.447 4.194 923 HE22 GLN 115 HE22 GLN 115 -6.561 3.938 3.663 924 H THR 116 HN THR 116 -1.132 8.593 2.717 925 HA THR 116 HA THR 116 -2.176 9.806 0.253 926 HB THR 116 HB THR 116 -0.166 11.397 1.715 927 HG1 THR 116 HG1 THR 116 -1.306 11.790 3.421 928 HG21 THR 116 HG21 THR 116 -0.997 13.094 0.550 929 HG22 THR 116 HG22 THR 116 -2.661 12.679 0.962 930 HG23 THR 116 HG23 THR 116 -1.856 11.868 -0.382 931 H TYR 117 HN TYR 117 -1.045 8.884 -1.324 932 HA TYR 117 HA TYR 117 1.778 8.231 -0.839 933 HB2 TYR 117 HB2 TYR 117 0.030 7.115 -3.031 934 HB3 TYR 117 HB1 TYR 117 1.580 6.502 -2.471 935 HD1 TYR 117 HD2 TYR 117 -1.859 7.167 -1.104 936 HD2 TYR 117 HD1 TYR 117 1.559 4.630 -1.151 937 HE1 TYR 117 HE2 TYR 117 -3.008 5.599 0.392 938 HE2 TYR 117 HE1 TYR 117 0.413 3.053 0.344 939 HH TYR 117 HH TYR 117 -1.960 2.464 0.931 940 H VAL 118 HN VAL 118 3.277 8.583 -2.617 941 HA VAL 118 HA VAL 118 2.376 10.260 -4.778 942 HB VAL 118 HB VAL 118 2.893 11.857 -2.931 943 HG11 VAL 118 HG11 VAL 118 4.750 11.716 -1.722 944 HG12 VAL 118 HG12 VAL 118 5.756 11.761 -3.170 945 HG13 VAL 118 HG13 VAL 118 5.138 10.222 -2.573 946 HG21 VAL 118 HG21 VAL 118 4.351 11.843 -5.536 947 HG22 VAL 118 HG22 VAL 118 4.632 13.155 -4.391 948 HG23 VAL 118 HG23 VAL 118 3.008 12.854 -5.007 949 H TYR 119 HN TYR 119 3.554 9.946 -6.605 950 HA TYR 119 HA TYR 119 6.250 8.879 -6.434 951 HB2 TYR 119 HB2 TYR 119 5.114 6.815 -6.450 952 HB3 TYR 119 HB1 TYR 119 3.941 7.365 -7.628 953 HD1 TYR 119 HD2 TYR 119 7.327 6.116 -7.128 954 HD2 TYR 119 HD1 TYR 119 4.469 7.373 -9.994 955 HE1 TYR 119 HE2 TYR 119 8.686 5.110 -8.898 956 HE2 TYR 119 HE1 TYR 119 5.828 6.379 -11.791 957 HH TYR 119 HH TYR 119 8.435 5.827 -12.030 958 H GLU 120 HN GLU 120 7.405 10.119 -7.693 959 HA GLU 120 HA GLU 120 7.754 11.871 -9.199 960 HB2 GLU 120 HB2 GLU 120 7.214 9.758 -11.236 961 HB3 GLU 120 HB1 GLU 120 8.552 10.894 -11.130 962 HG2 GLU 120 HG2 GLU 120 8.116 8.433 -9.465 963 HG3 GLU 120 HG1 GLU 120 9.364 8.702 -10.672 964 H GLY 121 HN GLY 121 6.009 13.305 -9.055 965 HA2 GLY 121 HA2 GLY 121 4.396 14.598 -10.071 966 HA3 GLY 121 HA1 GLY 121 4.483 13.535 -11.451 967 H VAL 122 HN VAL 122 3.912 11.411 -9.115 968 HA VAL 122 HA VAL 122 1.004 11.622 -9.470 969 HB VAL 122 HB VAL 122 2.562 9.165 -8.679 970 HG11 VAL 122 HG11 VAL 122 0.640 7.996 -8.847 971 HG12 VAL 122 HG12 VAL 122 -0.019 9.035 -10.104 972 HG13 VAL 122 HG13 VAL 122 -0.064 9.555 -8.419 973 HG21 VAL 122 HG21 VAL 122 1.612 8.981 -11.335 974 HG22 VAL 122 HG22 VAL 122 3.276 8.950 -10.755 975 HG23 VAL 122 HG23 VAL 122 2.524 10.482 -11.192 976 H GLU 123 HN GLU 123 -0.383 11.428 -7.739 977 HA GLU 123 HA GLU 123 0.613 10.871 -5.104 978 HB2 GLU 123 HB2 GLU 123 0.843 13.449 -5.791 979 HB3 GLU 123 HB1 GLU 123 -0.835 13.455 -5.260 980 HG2 GLU 123 HG2 GLU 123 -0.298 13.068 -3.100 981 HG3 GLU 123 HG1 GLU 123 1.139 12.145 -3.493 982 H ALA 124 HN ALA 124 -0.848 9.517 -4.325 983 HA ALA 124 HA ALA 124 -3.677 10.020 -4.941 984 HB1 ALA 124 HB1 ALA 124 -4.063 7.619 -4.954 985 HB2 ALA 124 HB2 ALA 124 -2.365 7.330 -4.577 986 HB3 ALA 124 HB3 ALA 124 -2.815 8.044 -6.124 987 H LYS 125 HN LYS 125 -5.180 9.796 -3.355 988 HA LYS 125 HA LYS 125 -4.127 9.494 -0.621 989 HB2 LYS 125 HB2 LYS 125 -6.182 11.244 -1.840 990 HB3 LYS 125 HB1 LYS 125 -6.603 10.566 -0.273 991 HG2 LYS 125 HG2 LYS 125 -5.150 11.869 0.822 992 HG3 LYS 125 HG1 LYS 125 -3.904 11.692 -0.415 993 HD2 LYS 125 HD2 LYS 125 -6.345 13.436 -0.717 994 HD3 LYS 125 HD1 LYS 125 -4.779 14.019 -0.148 995 HE2 LYS 125 HE2 LYS 125 -4.062 12.719 -2.420 996 HE3 LYS 125 HE1 LYS 125 -5.666 13.306 -2.858 997 HZ1 LYS 125 HZ1 LYS 125 -3.887 15.214 -1.562 998 HZ2 LYS 125 HZ2 LYS 125 -4.992 15.446 -2.822 999 HZ3 LYS 125 HZ3 LYS 125 -3.480 14.759 -3.140 1000 H ARG 126 HN ARG 126 -5.751 8.456 0.933 1001 HA ARG 126 HA ARG 126 -7.739 6.767 -0.279 1002 HB2 ARG 126 HB2 ARG 126 -5.706 5.549 -0.852 1003 HB3 ARG 126 HB1 ARG 126 -5.223 5.525 0.831 1004 HG2 ARG 126 HG2 ARG 126 -7.280 4.211 1.333 1005 HG3 ARG 126 HG1 ARG 126 -7.581 4.125 -0.403 1006 HD2 ARG 126 HD2 ARG 126 -6.144 2.447 -0.629 1007 HD3 ARG 126 HD1 ARG 126 -4.871 3.361 0.180 1008 HE ARG 126 HE ARG 126 -6.259 2.548 2.273 1009 HH11 ARG 126 HH11 ARG 126 -5.310 0.755 -0.571 1010 HH12 ARG 126 HH12 ARG 126 -5.269 -0.766 0.253 1011 HH21 ARG 126 HH21 ARG 126 -6.201 0.551 3.353 1012 HH22 ARG 126 HH22 ARG 126 -5.776 -0.883 2.480 1013 H ILE 127 HN ILE 127 -9.341 6.577 1.093 1014 HA ILE 127 HA ILE 127 -8.896 6.957 3.954 1015 HB ILE 127 HB ILE 127 -11.612 6.452 2.814 1016 HG12 ILE 127 HG12 ILE 127 -10.560 8.104 1.287 1017 HG13 ILE 127 HG11 ILE 127 -11.896 8.786 2.205 1018 HG21 ILE 127 HG21 ILE 127 -12.376 7.642 4.651 1019 HG22 ILE 127 HG22 ILE 127 -10.847 8.495 4.861 1020 HG23 ILE 127 HG23 ILE 127 -10.970 6.788 5.288 1021 HD11 ILE 127 HD11 ILE 127 -10.489 10.058 3.531 1022 HD12 ILE 127 HD12 ILE 127 -9.773 10.166 1.923 1023 HD13 ILE 127 HD13 ILE 127 -9.075 9.085 3.129 1024 H PHE 128 HN PHE 128 -9.297 5.344 5.458 1025 HA PHE 128 HA PHE 128 -9.798 2.682 4.302 1026 HB2 PHE 128 HB2 PHE 128 -7.566 2.654 4.989 1027 HB3 PHE 128 HB1 PHE 128 -7.904 3.599 6.434 1028 HD1 PHE 128 HD1 PHE 128 -8.385 0.291 4.876 1029 HD2 PHE 128 HD2 PHE 128 -8.387 2.551 8.478 1030 HE1 PHE 128 HE1 PHE 128 -8.599 -1.757 6.161 1031 HE2 PHE 128 HE2 PHE 128 -8.580 0.464 9.776 1032 HZ PHE 128 HZ PHE 128 -8.701 -1.694 8.614 1033 H LYS 129 HN LYS 129 -10.830 1.112 5.532 1034 HA LYS 129 HA LYS 129 -12.208 1.893 7.977 1035 HB2 LYS 129 HB2 LYS 129 -13.697 0.752 5.603 1036 HB3 LYS 129 HB1 LYS 129 -14.379 1.122 7.179 1037 HG2 LYS 129 HG2 LYS 129 -13.134 3.205 5.411 1038 HG3 LYS 129 HG1 LYS 129 -14.848 2.788 5.357 1039 HD2 LYS 129 HD2 LYS 129 -13.770 3.342 8.039 1040 HD3 LYS 129 HD1 LYS 129 -13.797 4.721 6.937 1041 HE2 LYS 129 HE2 LYS 129 -15.856 4.401 8.366 1042 HE3 LYS 129 HE1 LYS 129 -16.133 4.555 6.632 1043 HZ1 LYS 129 HZ1 LYS 129 -17.427 2.758 7.692 1044 HZ2 LYS 129 HZ2 LYS 129 -15.982 1.963 8.071 1045 HZ3 LYS 129 HZ3 LYS 129 -16.416 2.203 6.453 1046 H LYS 130 HN LYS 130 -13.099 -0.028 9.090 1047 HA LYS 130 HA LYS 130 -11.509 -2.395 8.373 1048 HB2 LYS 130 HB2 LYS 130 -12.714 -1.974 11.080 1049 HB3 LYS 130 HB1 LYS 130 -11.334 -2.962 10.618 1050 HG2 LYS 130 HG2 LYS 130 -10.001 -0.978 10.238 1051 HG3 LYS 130 HG1 LYS 130 -11.388 0.049 10.607 1052 HD2 LYS 130 HD2 LYS 130 -10.506 0.071 12.680 1053 HD3 LYS 130 HD1 LYS 130 -11.301 -1.498 12.827 1054 HE2 LYS 130 HE2 LYS 130 -9.245 -2.202 13.415 1055 HE3 LYS 130 HE1 LYS 130 -8.973 -2.233 11.673 1056 HZ1 LYS 130 HZ1 LYS 130 -7.201 -1.079 12.872 1057 HZ2 LYS 130 HZ2 LYS 130 -8.317 0.047 13.461 1058 HZ3 LYS 130 HZ3 LYS 130 -8.002 -0.041 11.802 1059 H ASP 131 HN ASP 131 -12.378 -4.472 8.584 1060 HA ASP 131 HA ASP 131 -14.970 -4.790 7.567 1061 HB2 ASP 131 HB2 ASP 131 -12.945 -6.391 7.487 1062 HB3 ASP 131 HB1 ASP 131 -13.503 -6.955 9.059 1063 H2 KTR 201 H6 KET 1 -1.434 1.733 -5.390 1064 H3 KTR 201 H31 KET 1 2.009 -0.707 -2.299 1065 H4 KTR 201 H32 KET 1 2.844 0.337 -3.454 1066 H5 KTR 201 H21 KET 1 1.066 1.043 -1.223 1067 H6 KTR 201 H22 KET 1 2.455 1.921 -1.896 1068 H7 KTR 201 H1 KET 1 -0.119 2.628 -2.514 1069 H8 KTR 201 H11 KET 1 3.510 -2.458 -5.028 1070 H9 KTR 201 H13 KET 1 4.977 -3.006 -6.940 1071 H10 KTR 201 H15 KET 1 3.989 -3.556 -9.127 1072 H11 KTR 201 H14 KET 1 1.531 -3.548 -9.415 1073 H12 KTR 201 H12 KET 1 0.076 -3.000 -7.502 1074 H13 KTR 201 H7 KET 1 -1.219 -0.786 -6.265 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -3.447 1.349 17.287 2 H2 ALA 1 HT2 ALA 1 -2.043 0.362 17.284 3 H3 ALA 1 HT3 ALA 1 -3.001 0.490 18.702 4 HA ALA 1 HA ALA 1 -3.437 -1.562 17.694 5 HB1 ALA 1 HB1 ALA 1 -5.310 0.142 18.516 6 HB2 ALA 1 HB2 ALA 1 -5.697 -1.456 17.878 7 HB3 ALA 1 HB3 ALA 1 -5.828 -0.036 16.840 8 H PHE 2 HN PHE 2 -1.801 -1.354 15.845 9 HA PHE 2 HA PHE 2 -3.005 -0.771 13.263 10 HB2 PHE 2 HB2 PHE 2 -0.265 -1.154 14.296 11 HB3 PHE 2 HB1 PHE 2 -0.543 -1.751 12.663 12 HD1 PHE 2 HD2 PHE 2 -2.011 -0.002 11.204 13 HD2 PHE 2 HD1 PHE 2 0.558 0.971 14.454 14 HE1 PHE 2 HE2 PHE 2 -1.774 2.283 10.326 15 HE2 PHE 2 HE1 PHE 2 0.800 3.260 13.582 16 HZ PHE 2 HZ PHE 2 -0.367 3.918 11.515 17 H ASP 3 HN ASP 3 -1.596 -3.537 14.978 18 HA ASP 3 HA ASP 3 -1.891 -5.460 12.978 19 HB2 ASP 3 HB2 ASP 3 -2.259 -6.059 15.910 20 HB3 ASP 3 HB1 ASP 3 -1.564 -7.091 14.665 21 H SER 4 HN SER 4 -3.712 -5.914 11.918 22 HA SER 4 HA SER 4 -5.926 -7.139 13.024 23 HB2 SER 4 HB2 SER 4 -5.972 -4.392 13.615 24 HB3 SER 4 HB1 SER 4 -7.120 -4.601 12.296 25 HG SER 4 HG SER 4 -8.312 -5.049 14.041 26 H THR 5 HN THR 5 -7.962 -6.794 11.477 27 HA THR 5 HA THR 5 -6.953 -7.211 8.773 28 HB THR 5 HB THR 5 -9.731 -7.526 9.944 29 HG1 THR 5 HG1 THR 5 -7.733 -9.412 9.248 30 HG21 THR 5 HG21 THR 5 -10.572 -7.930 7.940 31 HG22 THR 5 HG22 THR 5 -9.236 -9.004 7.524 32 HG23 THR 5 HG23 THR 5 -9.086 -7.267 7.260 33 H TRP 6 HN TRP 6 -6.982 -5.615 7.275 34 HA TRP 6 HA TRP 6 -8.704 -3.301 7.852 35 HB2 TRP 6 HB2 TRP 6 -6.021 -3.390 6.497 36 HB3 TRP 6 HB1 TRP 6 -7.011 -1.978 6.534 37 HD1 TRP 6 HD1 TRP 6 -6.519 -4.240 9.593 38 HE1 TRP 6 HE1 TRP 6 -5.325 -2.883 11.418 39 HE3 TRP 6 HE3 TRP 6 -5.514 -0.012 6.910 40 HZ2 TRP 6 HZ2 TRP 6 -4.112 -0.359 11.687 41 HZ3 TRP 6 HZ3 TRP 6 -4.323 1.830 8.028 42 HH2 TRP 6 HH2 TRP 6 -3.637 1.660 10.366 43 H LYS 7 HN LYS 7 -10.184 -2.775 6.481 44 HA LYS 7 HA LYS 7 -10.018 -3.780 3.717 45 HB2 LYS 7 HB2 LYS 7 -12.420 -3.997 3.655 46 HB3 LYS 7 HB1 LYS 7 -11.806 -4.903 5.030 47 HG2 LYS 7 HG2 LYS 7 -12.414 -3.000 6.496 48 HG3 LYS 7 HG1 LYS 7 -13.138 -2.204 5.098 49 HD2 LYS 7 HD2 LYS 7 -14.127 -4.882 5.266 50 HD3 LYS 7 HD1 LYS 7 -14.315 -4.097 6.835 51 HE2 LYS 7 HE2 LYS 7 -15.891 -2.685 6.077 52 HE3 LYS 7 HE1 LYS 7 -15.063 -2.430 4.542 53 HZ1 LYS 7 HZ1 LYS 7 -17.124 -4.352 5.240 54 HZ2 LYS 7 HZ2 LYS 7 -15.891 -4.936 4.241 55 HZ3 LYS 7 HZ3 LYS 7 -16.804 -3.595 3.761 56 H VAL 8 HN VAL 8 -9.697 -2.240 2.345 57 HA VAL 8 HA VAL 8 -9.896 0.495 3.012 58 HB VAL 8 HB VAL 8 -8.339 -0.639 1.324 59 HG11 VAL 8 HG11 VAL 8 -9.130 -0.585 -1.015 60 HG12 VAL 8 HG12 VAL 8 -10.758 -0.224 -0.445 61 HG13 VAL 8 HG13 VAL 8 -10.002 -1.764 -0.037 62 HG21 VAL 8 HG21 VAL 8 -9.598 1.824 0.201 63 HG22 VAL 8 HG22 VAL 8 -7.894 1.400 0.358 64 HG23 VAL 8 HG23 VAL 8 -8.821 1.868 1.783 65 H ASP 9 HN ASP 9 -11.358 2.056 2.454 66 HA ASP 9 HA ASP 9 -13.973 1.080 1.573 67 HB2 ASP 9 HB2 ASP 9 -13.966 2.304 3.666 68 HB3 ASP 9 HB1 ASP 9 -13.163 3.670 2.907 69 H ARG 10 HN ARG 10 -12.409 4.259 1.172 70 HA ARG 10 HA ARG 10 -13.112 4.093 -1.687 71 HB2 ARG 10 HB2 ARG 10 -13.650 6.381 -1.729 72 HB3 ARG 10 HB1 ARG 10 -14.386 5.779 -0.253 73 HG2 ARG 10 HG2 ARG 10 -12.643 6.734 1.074 74 HG3 ARG 10 HG1 ARG 10 -11.739 7.196 -0.368 75 HD2 ARG 10 HD2 ARG 10 -14.251 8.368 0.753 76 HD3 ARG 10 HD1 ARG 10 -12.772 9.176 0.243 77 HE ARG 10 HE ARG 10 -13.537 9.176 -1.937 78 HH11 ARG 10 HH11 ARG 10 -15.673 7.277 0.073 79 HH12 ARG 10 HH12 ARG 10 -16.926 7.201 -1.119 80 HH21 ARG 10 HH21 ARG 10 -15.186 9.072 -3.502 81 HH22 ARG 10 HH22 ARG 10 -16.650 8.217 -3.148 82 H SER 11 HN SER 11 -11.764 5.484 -3.107 83 HA SER 11 HA SER 11 -9.038 5.881 -2.125 84 HB2 SER 11 HB2 SER 11 -8.032 4.593 -3.863 85 HB3 SER 11 HB1 SER 11 -9.287 3.577 -3.164 86 HG SER 11 HG SER 11 -9.130 4.738 -5.675 87 H GLU 12 HN GLU 12 -7.689 7.075 -3.714 88 HA GLU 12 HA GLU 12 -9.157 8.629 -5.689 89 HB2 GLU 12 HB2 GLU 12 -8.801 9.655 -3.135 90 HB3 GLU 12 HB1 GLU 12 -7.485 10.374 -4.053 91 HG2 GLU 12 HG2 GLU 12 -8.900 11.540 -5.434 92 HG3 GLU 12 HG1 GLU 12 -10.243 10.428 -5.176 93 H ASN 13 HN ASN 13 -7.947 8.890 -7.455 94 HA ASN 13 HA ASN 13 -6.187 8.912 -8.874 95 HB2 ASN 13 HB2 ASN 13 -5.204 10.179 -6.423 96 HB3 ASN 13 HB1 ASN 13 -3.945 9.517 -7.449 97 HD21 ASN 13 HD21 ASN 13 -4.252 12.240 -6.927 98 HD22 ASN 13 HD22 ASN 13 -4.669 13.037 -8.402 99 H TYR 14 HN TYR 14 -6.784 6.536 -6.938 100 HA TYR 14 HA TYR 14 -4.415 5.160 -6.463 101 HB2 TYR 14 HB2 TYR 14 -6.935 4.593 -5.877 102 HB3 TYR 14 HB1 TYR 14 -6.834 3.641 -7.351 103 HD1 TYR 14 HD1 TYR 14 -4.101 2.595 -7.232 104 HD2 TYR 14 HD2 TYR 14 -6.972 3.051 -4.132 105 HE1 TYR 14 HE1 TYR 14 -3.031 0.770 -5.985 106 HE2 TYR 14 HE2 TYR 14 -5.908 1.230 -2.870 107 HH TYR 14 HH TYR 14 -4.470 -0.771 -3.385 108 H ASP 15 HN ASP 15 -6.434 5.386 -9.344 109 HA ASP 15 HA ASP 15 -5.089 3.535 -10.971 110 HB2 ASP 15 HB2 ASP 15 -7.286 4.896 -11.393 111 HB3 ASP 15 HB1 ASP 15 -6.199 6.105 -12.068 112 H LYS 16 HN LYS 16 -4.464 6.859 -10.114 113 HA LYS 16 HA LYS 16 -2.570 7.672 -11.915 114 HB2 LYS 16 HB2 LYS 16 -3.583 8.735 -9.691 115 HB3 LYS 16 HB1 LYS 16 -2.048 8.201 -9.031 116 HG2 LYS 16 HG2 LYS 16 -1.170 10.091 -9.758 117 HG3 LYS 16 HG1 LYS 16 -1.409 9.514 -11.403 118 HD2 LYS 16 HD2 LYS 16 -3.847 10.400 -11.006 119 HD3 LYS 16 HD1 LYS 16 -3.051 11.380 -9.770 120 HE2 LYS 16 HE2 LYS 16 -1.374 11.817 -11.805 121 HE3 LYS 16 HE1 LYS 16 -2.844 11.500 -12.725 122 HZ1 LYS 16 HZ1 LYS 16 -2.178 13.748 -11.009 123 HZ2 LYS 16 HZ2 LYS 16 -3.770 13.188 -10.896 124 HZ3 LYS 16 HZ3 LYS 16 -3.155 13.690 -12.390 125 H PHE 17 HN PHE 17 -2.162 5.572 -9.134 126 HA PHE 17 HA PHE 17 0.677 5.348 -9.498 127 HB2 PHE 17 HB2 PHE 17 -1.311 3.938 -7.729 128 HB3 PHE 17 HB1 PHE 17 0.384 3.450 -7.791 129 HD1 PHE 17 HD1 PHE 17 -1.079 6.821 -8.038 130 HD2 PHE 17 HD2 PHE 17 1.237 4.101 -5.677 131 HE1 PHE 17 HE1 PHE 17 -0.505 8.657 -6.535 132 HE2 PHE 17 HE2 PHE 17 1.819 5.955 -4.162 133 HZ PHE 17 HZ PHE 17 0.955 8.224 -4.587 134 H MET 18 HN MET 18 -2.109 3.693 -10.709 135 HA MET 18 HA MET 18 -0.747 1.315 -11.486 136 HB2 MET 18 HB2 MET 18 -3.337 2.446 -12.526 137 HB3 MET 18 HB1 MET 18 -2.769 0.795 -12.719 138 HG2 MET 18 HG2 MET 18 -3.812 2.154 -10.274 139 HG3 MET 18 HG1 MET 18 -4.301 0.648 -11.012 140 HE1 MET 18 HE1 MET 18 -2.187 2.616 -8.919 141 HE2 MET 18 HE2 MET 18 -0.694 1.715 -8.669 142 HE3 MET 18 HE3 MET 18 -2.051 1.501 -7.562 143 H GLU 19 HN GLU 19 -1.288 4.457 -12.974 144 HA GLU 19 HA GLU 19 -0.445 3.488 -15.576 145 HB2 GLU 19 HB2 GLU 19 -0.869 6.367 -14.808 146 HB3 GLU 19 HB1 GLU 19 -0.961 5.644 -16.408 147 HG2 GLU 19 HG2 GLU 19 -2.873 5.128 -14.142 148 HG3 GLU 19 HG1 GLU 19 -3.165 6.196 -15.514 149 H LYS 20 HN LYS 20 0.782 6.102 -13.447 150 HA LYS 20 HA LYS 20 3.129 6.610 -14.805 151 HB2 LYS 20 HB2 LYS 20 2.136 7.908 -12.914 152 HB3 LYS 20 HB1 LYS 20 2.812 6.714 -11.815 153 HG2 LYS 20 HG2 LYS 20 4.596 8.016 -11.743 154 HG3 LYS 20 HG1 LYS 20 4.970 7.420 -13.351 155 HD2 LYS 20 HD2 LYS 20 3.385 9.358 -14.114 156 HD3 LYS 20 HD1 LYS 20 3.759 10.029 -12.520 157 HE2 LYS 20 HE2 LYS 20 5.554 10.901 -13.505 158 HE3 LYS 20 HE1 LYS 20 6.223 9.277 -13.429 159 HZ1 LYS 20 HZ1 LYS 20 6.385 10.264 -15.652 160 HZ2 LYS 20 HZ2 LYS 20 4.700 10.377 -15.729 161 HZ3 LYS 20 HZ3 LYS 20 5.442 8.859 -15.654 162 H MET 21 HN MET 21 2.627 4.294 -12.142 163 HA MET 21 HA MET 21 5.351 3.376 -12.283 164 HB2 MET 21 HB2 MET 21 2.971 2.252 -10.799 165 HB3 MET 21 HB1 MET 21 4.630 1.705 -10.608 166 HG2 MET 21 HG2 MET 21 5.185 3.428 -9.295 167 HG3 MET 21 HG1 MET 21 4.255 4.585 -10.245 168 HE1 MET 21 HE1 MET 21 1.784 1.543 -8.559 169 HE2 MET 21 HE2 MET 21 2.839 1.664 -7.151 170 HE3 MET 21 HE3 MET 21 3.524 1.320 -8.739 171 H GLY 22 HN GLY 22 2.297 2.451 -13.676 172 HA2 GLY 22 HA2 GLY 22 2.017 1.059 -15.533 173 HA3 GLY 22 HA1 GLY 22 3.670 0.496 -15.332 174 H VAL 23 HN VAL 23 0.990 0.560 -13.024 175 HA VAL 23 HA VAL 23 1.516 -2.172 -12.258 176 HB VAL 23 HB VAL 23 -0.830 -0.504 -11.386 177 HG11 VAL 23 HG11 VAL 23 0.615 -2.869 -10.246 178 HG12 VAL 23 HG12 VAL 23 -1.100 -2.693 -10.614 179 HG13 VAL 23 HG13 VAL 23 -0.399 -1.829 -9.243 180 HG21 VAL 23 HG21 VAL 23 1.151 0.856 -11.068 181 HG22 VAL 23 HG22 VAL 23 1.965 -0.481 -10.255 182 HG23 VAL 23 HG23 VAL 23 0.560 0.281 -9.509 183 H ASN 24 HN ASN 24 0.569 -3.931 -13.080 184 HA ASN 24 HA ASN 24 -1.069 -3.898 -15.300 185 HB2 ASN 24 HB2 ASN 24 -1.681 -6.312 -14.264 186 HB3 ASN 24 HB1 ASN 24 -0.205 -5.976 -15.148 187 HD21 ASN 24 HD21 ASN 24 -1.190 -5.136 -11.855 188 HD22 ASN 24 HD22 ASN 24 0.114 -5.950 -11.068 189 H ILE 25 HN ILE 25 -3.056 -3.264 -15.549 190 HA ILE 25 HA ILE 25 -4.841 -2.465 -13.641 191 HB ILE 25 HB ILE 25 -4.921 -2.166 -16.196 192 HG12 ILE 25 HG12 ILE 25 -6.546 -1.219 -14.582 193 HG13 ILE 25 HG11 ILE 25 -7.282 -1.636 -16.125 194 HG21 ILE 25 HG21 ILE 25 -5.041 -4.597 -16.687 195 HG22 ILE 25 HG22 ILE 25 -6.324 -3.653 -17.444 196 HG23 ILE 25 HG23 ILE 25 -6.668 -4.612 -16.005 197 HD11 ILE 25 HD11 ILE 25 -7.709 -2.786 -13.446 198 HD12 ILE 25 HD12 ILE 25 -7.756 -3.902 -14.810 199 HD13 ILE 25 HD13 ILE 25 -8.846 -2.517 -14.766 200 H VAL 26 HN VAL 26 -4.393 -5.693 -14.975 201 HA VAL 26 HA VAL 26 -6.645 -7.005 -14.097 202 HB VAL 26 HB VAL 26 -3.864 -8.164 -13.909 203 HG11 VAL 26 HG11 VAL 26 -6.604 -9.254 -13.831 204 HG12 VAL 26 HG12 VAL 26 -5.119 -9.854 -13.092 205 HG13 VAL 26 HG13 VAL 26 -5.437 -10.153 -14.801 206 HG21 VAL 26 HG21 VAL 26 -4.741 -8.990 -16.313 207 HG22 VAL 26 HG22 VAL 26 -3.742 -7.555 -16.083 208 HG23 VAL 26 HG23 VAL 26 -5.491 -7.396 -16.248 209 H LYS 27 HN LYS 27 -3.579 -6.774 -12.283 210 HA LYS 27 HA LYS 27 -4.784 -7.705 -9.858 211 HB2 LYS 27 HB2 LYS 27 -2.097 -6.465 -10.462 212 HB3 LYS 27 HB1 LYS 27 -2.573 -6.982 -8.851 213 HG2 LYS 27 HG2 LYS 27 -1.554 -8.888 -9.458 214 HG3 LYS 27 HG1 LYS 27 -3.103 -9.227 -10.234 215 HD2 LYS 27 HD2 LYS 27 -1.866 -7.795 -12.172 216 HD3 LYS 27 HD1 LYS 27 -0.484 -8.595 -11.421 217 HE2 LYS 27 HE2 LYS 27 -1.588 -10.761 -11.709 218 HE3 LYS 27 HE1 LYS 27 -2.965 -9.959 -12.463 219 HZ1 LYS 27 HZ1 LYS 27 -1.586 -9.263 -14.270 220 HZ2 LYS 27 HZ2 LYS 27 -1.383 -10.930 -14.067 221 HZ3 LYS 27 HZ3 LYS 27 -0.192 -9.862 -13.519 222 H ARG 28 HN ARG 28 -4.161 -4.622 -11.341 223 HA ARG 28 HA ARG 28 -4.393 -2.959 -9.097 224 HB2 ARG 28 HB2 ARG 28 -3.910 -1.424 -10.660 225 HB3 ARG 28 HB1 ARG 28 -4.077 -2.659 -11.884 226 HG2 ARG 28 HG2 ARG 28 -5.403 -0.825 -12.535 227 HG3 ARG 28 HG1 ARG 28 -6.509 -2.096 -12.008 228 HD2 ARG 28 HD2 ARG 28 -7.178 -0.919 -10.162 229 HD3 ARG 28 HD1 ARG 28 -5.643 -0.077 -10.001 230 HE ARG 28 HE ARG 28 -6.911 0.776 -12.353 231 HH11 ARG 28 HH11 ARG 28 -7.252 1.013 -8.891 232 HH12 ARG 28 HH12 ARG 28 -8.129 2.504 -8.952 233 HH21 ARG 28 HH21 ARG 28 -8.071 2.733 -12.438 234 HH22 ARG 28 HH22 ARG 28 -8.595 3.481 -10.967 235 H LYS 29 HN LYS 29 -6.775 -4.578 -11.066 236 HA LYS 29 HA LYS 29 -9.075 -3.171 -10.446 237 HB2 LYS 29 HB2 LYS 29 -8.482 -5.981 -11.202 238 HB3 LYS 29 HB1 LYS 29 -10.085 -5.634 -10.568 239 HG2 LYS 29 HG2 LYS 29 -10.735 -4.671 -12.461 240 HG3 LYS 29 HG1 LYS 29 -9.257 -3.716 -12.581 241 HD2 LYS 29 HD2 LYS 29 -8.106 -5.444 -13.682 242 HD3 LYS 29 HD1 LYS 29 -9.319 -6.645 -13.240 243 HE2 LYS 29 HE2 LYS 29 -9.758 -4.326 -15.119 244 HE3 LYS 29 HE1 LYS 29 -9.469 -5.995 -15.609 245 HZ1 LYS 29 HZ1 LYS 29 -11.755 -5.819 -15.672 246 HZ2 LYS 29 HZ2 LYS 29 -11.840 -4.836 -14.298 247 HZ3 LYS 29 HZ3 LYS 29 -11.505 -6.486 -14.137 248 H LEU 30 HN LEU 30 -7.646 -5.913 -8.674 249 HA LEU 30 HA LEU 30 -9.605 -5.761 -6.586 250 HB2 LEU 30 HB2 LEU 30 -6.978 -7.188 -6.349 251 HB3 LEU 30 HB1 LEU 30 -8.517 -7.596 -5.614 252 HG LEU 30 HG LEU 30 -8.509 -7.670 -8.559 253 HD11 LEU 30 HD11 LEU 30 -6.237 -8.645 -7.492 254 HD12 LEU 30 HD12 LEU 30 -7.012 -9.308 -8.932 255 HD13 LEU 30 HD13 LEU 30 -7.281 -10.061 -7.360 256 HD21 LEU 30 HD21 LEU 30 -10.167 -8.530 -6.598 257 HD22 LEU 30 HD22 LEU 30 -9.273 -10.008 -6.954 258 HD23 LEU 30 HD23 LEU 30 -10.147 -9.174 -8.239 259 H ALA 31 HN ALA 31 -6.605 -4.231 -7.233 260 HA ALA 31 HA ALA 31 -6.181 -3.492 -4.447 261 HB1 ALA 31 HB1 ALA 31 -4.156 -2.314 -5.414 262 HB2 ALA 31 HB2 ALA 31 -4.569 -3.079 -6.949 263 HB3 ALA 31 HB3 ALA 31 -4.182 -4.072 -5.544 264 H ALA 32 HN ALA 32 -7.791 -2.273 -7.182 265 HA ALA 32 HA ALA 32 -7.370 0.454 -7.053 266 HB1 ALA 32 HB1 ALA 32 -9.941 -0.975 -7.708 267 HB2 ALA 32 HB2 ALA 32 -8.633 -0.610 -8.834 268 HB3 ALA 32 HB3 ALA 32 -9.562 0.701 -8.107 269 H HIS 33 HN HIS 33 -9.821 -1.432 -5.243 270 HA HIS 33 HA HIS 33 -9.692 -0.167 -2.861 271 HB2 HIS 33 HB2 HIS 33 -11.602 1.514 -2.995 272 HB3 HIS 33 HB1 HIS 33 -10.068 1.998 -3.704 273 HD1 HIS 33 HD1 HIS 33 -10.197 2.878 -6.023 274 HD2 HIS 33 HD2 HIS 33 -13.479 0.525 -5.054 275 HE1 HIS 33 HE1 HIS 33 -11.746 3.043 -7.997 276 HE2 HIS 33 HE2 HIS 33 -13.769 1.687 -7.348 277 H ASP 34 HN ASP 34 -12.061 -1.127 -5.293 278 HA ASP 34 HA ASP 34 -14.135 -1.783 -3.523 279 HB2 ASP 34 HB2 ASP 34 -14.179 -1.507 -6.092 280 HB3 ASP 34 HB1 ASP 34 -13.720 -3.206 -6.136 281 H ASN 35 HN ASN 35 -11.763 -3.941 -5.089 282 HA ASN 35 HA ASN 35 -12.462 -5.972 -3.102 283 HB2 ASN 35 HB2 ASN 35 -11.425 -6.178 -5.912 284 HB3 ASN 35 HB1 ASN 35 -11.245 -7.518 -4.784 285 HD21 ASN 35 HD21 ASN 35 -13.044 -6.531 -7.230 286 HD22 ASN 35 HD22 ASN 35 -14.577 -7.206 -6.810 287 H LEU 36 HN LEU 36 -10.770 -3.934 -2.299 288 HA LEU 36 HA LEU 36 -8.134 -5.243 -2.263 289 HB2 LEU 36 HB2 LEU 36 -8.188 -2.973 -3.241 290 HB3 LEU 36 HB1 LEU 36 -8.803 -2.352 -1.724 291 HG LEU 36 HG LEU 36 -6.330 -2.015 -2.170 292 HD11 LEU 36 HD11 LEU 36 -6.729 -3.568 0.349 293 HD12 LEU 36 HD12 LEU 36 -7.592 -2.051 0.098 294 HD13 LEU 36 HD13 LEU 36 -5.829 -2.076 0.080 295 HD21 LEU 36 HD21 LEU 36 -4.889 -3.732 -2.341 296 HD22 LEU 36 HD22 LEU 36 -6.320 -4.642 -2.826 297 HD23 LEU 36 HD23 LEU 36 -5.754 -4.712 -1.157 298 H LYS 37 HN LYS 37 -7.633 -6.243 -0.469 299 HA LYS 37 HA LYS 37 -8.699 -5.252 2.102 300 HB2 LYS 37 HB2 LYS 37 -9.367 -7.646 0.999 301 HB3 LYS 37 HB1 LYS 37 -7.936 -8.105 1.912 302 HG2 LYS 37 HG2 LYS 37 -10.293 -6.649 3.087 303 HG3 LYS 37 HG1 LYS 37 -10.072 -8.399 3.141 304 HD2 LYS 37 HD2 LYS 37 -7.906 -6.595 4.137 305 HD3 LYS 37 HD1 LYS 37 -9.311 -6.921 5.154 306 HE2 LYS 37 HE2 LYS 37 -7.468 -8.988 3.957 307 HE3 LYS 37 HE1 LYS 37 -7.481 -8.465 5.641 308 HZ1 LYS 37 HZ1 LYS 37 -8.782 -10.301 5.795 309 HZ2 LYS 37 HZ2 LYS 37 -9.367 -10.182 4.212 310 HZ3 LYS 37 HZ3 LYS 37 -9.992 -9.178 5.422 311 H LEU 38 HN LEU 38 -7.154 -4.429 3.253 312 HA LEU 38 HA LEU 38 -4.411 -5.427 2.949 313 HB2 LEU 38 HB2 LEU 38 -5.267 -2.927 2.649 314 HB3 LEU 38 HB1 LEU 38 -5.110 -2.890 4.385 315 HG LEU 38 HG LEU 38 -2.785 -3.003 4.312 316 HD11 LEU 38 HD11 LEU 38 -1.681 -3.574 1.975 317 HD12 LEU 38 HD12 LEU 38 -3.191 -4.459 1.750 318 HD13 LEU 38 HD13 LEU 38 -2.141 -4.842 3.115 319 HD21 LEU 38 HD21 LEU 38 -3.032 -0.889 3.498 320 HD22 LEU 38 HD22 LEU 38 -3.902 -1.423 2.061 321 HD23 LEU 38 HD23 LEU 38 -2.149 -1.601 2.145 322 H THR 39 HN THR 39 -3.565 -6.605 4.603 323 HA THR 39 HA THR 39 -5.035 -6.550 7.158 324 HB THR 39 HB THR 39 -3.278 -8.830 6.313 325 HG1 THR 39 HG1 THR 39 -5.163 -9.777 5.414 326 HG21 THR 39 HG21 THR 39 -4.749 -10.160 7.671 327 HG22 THR 39 HG22 THR 39 -5.779 -8.762 7.979 328 HG23 THR 39 HG23 THR 39 -4.134 -8.803 8.614 329 H ILE 40 HN ILE 40 -3.895 -6.738 9.118 330 HA ILE 40 HA ILE 40 -1.009 -6.207 9.006 331 HB ILE 40 HB ILE 40 -2.470 -4.729 11.106 332 HG12 ILE 40 HG12 ILE 40 -3.894 -4.379 9.064 333 HG13 ILE 40 HG11 ILE 40 -3.182 -2.909 9.719 334 HG21 ILE 40 HG21 ILE 40 -0.770 -3.048 10.634 335 HG22 ILE 40 HG22 ILE 40 -0.225 -3.978 9.239 336 HG23 ILE 40 HG23 ILE 40 -0.042 -4.638 10.864 337 HD11 ILE 40 HD11 ILE 40 -3.144 -3.661 7.106 338 HD12 ILE 40 HD12 ILE 40 -1.554 -4.183 7.663 339 HD13 ILE 40 HD13 ILE 40 -2.046 -2.499 7.850 340 H THR 41 HN THR 41 0.170 -7.038 10.695 341 HA THR 41 HA THR 41 -1.181 -8.116 13.024 342 HB THR 41 HB THR 41 -1.349 -10.176 12.122 343 HG1 THR 41 HG1 THR 41 1.471 -10.251 12.334 344 HG21 THR 41 HG21 THR 41 -1.024 -9.861 9.877 345 HG22 THR 41 HG22 THR 41 0.295 -10.962 10.279 346 HG23 THR 41 HG23 THR 41 0.609 -9.237 10.094 347 H GLN 42 HN GLN 42 0.258 -8.609 14.764 348 HA GLN 42 HA GLN 42 2.698 -7.030 14.616 349 HB2 GLN 42 HB2 GLN 42 0.758 -7.439 16.589 350 HB3 GLN 42 HB1 GLN 42 2.199 -8.240 17.197 351 HG2 GLN 42 HG2 GLN 42 3.474 -6.213 16.996 352 HG3 GLN 42 HG1 GLN 42 2.117 -5.394 16.224 353 HE21 GLN 42 HE21 GLN 42 2.451 -7.442 19.104 354 HE22 GLN 42 HE22 GLN 42 1.708 -6.326 20.194 355 H GLU 43 HN GLU 43 4.689 -7.813 14.571 356 HA GLU 43 HA GLU 43 5.351 -10.400 15.651 357 HB2 GLU 43 HB2 GLU 43 5.467 -9.882 12.680 358 HB3 GLU 43 HB1 GLU 43 6.409 -11.139 13.471 359 HG2 GLU 43 HG2 GLU 43 3.411 -10.927 13.352 360 HG3 GLU 43 HG1 GLU 43 4.430 -12.106 12.527 361 H GLY 44 HN GLY 44 6.716 -9.165 16.968 362 HA2 GLY 44 HA2 GLY 44 8.676 -8.115 17.562 363 HA3 GLY 44 HA1 GLY 44 9.353 -8.845 16.114 364 H ASN 45 HN ASN 45 10.577 -7.092 15.422 365 HA ASN 45 HA ASN 45 9.407 -4.465 15.245 366 HB2 ASN 45 HB2 ASN 45 11.597 -4.133 13.777 367 HB3 ASN 45 HB1 ASN 45 11.665 -4.188 15.531 368 HD21 ASN 45 HD21 ASN 45 12.705 -5.849 16.529 369 HD22 ASN 45 HD22 ASN 45 13.586 -7.072 15.685 370 H LYS 46 HN LYS 46 8.883 -7.170 13.495 371 HA LYS 46 HA LYS 46 8.608 -5.699 10.972 372 HB2 LYS 46 HB2 LYS 46 9.202 -7.552 9.824 373 HB3 LYS 46 HB1 LYS 46 9.921 -8.029 11.351 374 HG2 LYS 46 HG2 LYS 46 8.764 -9.920 10.712 375 HG3 LYS 46 HG1 LYS 46 7.636 -9.137 11.817 376 HD2 LYS 46 HD2 LYS 46 6.097 -9.012 10.223 377 HD3 LYS 46 HD1 LYS 46 7.214 -8.152 9.164 378 HE2 LYS 46 HE2 LYS 46 6.564 -10.100 8.001 379 HE3 LYS 46 HE1 LYS 46 8.204 -10.390 8.582 380 HZ1 LYS 46 HZ1 LYS 46 6.220 -12.119 8.901 381 HZ2 LYS 46 HZ2 LYS 46 6.050 -11.244 10.338 382 HZ3 LYS 46 HZ3 LYS 46 7.519 -12.001 9.979 383 H PHE 47 HN PHE 47 6.743 -5.812 9.789 384 HA PHE 47 HA PHE 47 4.336 -6.606 11.283 385 HB2 PHE 47 HB2 PHE 47 4.782 -4.468 9.194 386 HB3 PHE 47 HB1 PHE 47 3.186 -4.962 9.739 387 HD1 PHE 47 HD1 PHE 47 3.397 -5.194 12.580 388 HD2 PHE 47 HD2 PHE 47 5.256 -2.381 9.986 389 HE1 PHE 47 HE1 PHE 47 3.565 -3.589 14.438 390 HE2 PHE 47 HE2 PHE 47 5.421 -0.774 11.839 391 HZ PHE 47 HZ PHE 47 4.575 -1.378 14.070 392 H THR 48 HN THR 48 2.783 -7.854 10.243 393 HA THR 48 HA THR 48 3.644 -8.994 7.672 394 HB THR 48 HB THR 48 1.545 -10.555 8.718 395 HG1 THR 48 HG1 THR 48 2.418 -11.072 10.783 396 HG21 THR 48 HG21 THR 48 4.018 -11.744 9.405 397 HG22 THR 48 HG22 THR 48 4.213 -10.919 7.858 398 HG23 THR 48 HG23 THR 48 2.942 -12.126 8.061 399 H VAL 49 HN VAL 49 2.586 -8.344 5.937 400 HA VAL 49 HA VAL 49 -0.163 -7.351 6.271 401 HB VAL 49 HB VAL 49 0.368 -6.198 3.994 402 HG11 VAL 49 HG11 VAL 49 -0.134 -5.001 6.044 403 HG12 VAL 49 HG12 VAL 49 1.193 -4.215 5.189 404 HG13 VAL 49 HG13 VAL 49 1.525 -5.218 6.601 405 HG21 VAL 49 HG21 VAL 49 2.508 -7.240 3.585 406 HG22 VAL 49 HG22 VAL 49 3.137 -6.622 5.111 407 HG23 VAL 49 HG23 VAL 49 2.730 -5.505 3.808 408 H LYS 50 HN LYS 50 -1.731 -8.398 5.286 409 HA LYS 50 HA LYS 50 -1.019 -10.261 3.114 410 HB2 LYS 50 HB2 LYS 50 -2.047 -10.954 5.551 411 HB3 LYS 50 HB1 LYS 50 -3.507 -10.812 4.582 412 HG2 LYS 50 HG2 LYS 50 -2.421 -12.341 2.910 413 HG3 LYS 50 HG1 LYS 50 -1.147 -12.609 4.102 414 HD2 LYS 50 HD2 LYS 50 -3.959 -12.950 4.990 415 HD3 LYS 50 HD1 LYS 50 -3.281 -14.186 3.927 416 HE2 LYS 50 HE2 LYS 50 -2.975 -14.776 6.275 417 HE3 LYS 50 HE1 LYS 50 -1.426 -14.512 5.477 418 HZ1 LYS 50 HZ1 LYS 50 -1.162 -12.454 6.537 419 HZ2 LYS 50 HZ2 LYS 50 -1.719 -13.491 7.751 420 HZ3 LYS 50 HZ3 LYS 50 -2.779 -12.387 7.031 421 H GLU 51 HN GLU 51 -1.705 -9.491 1.234 422 HA GLU 51 HA GLU 51 -4.041 -7.760 1.132 423 HB2 GLU 51 HB2 GLU 51 -2.165 -6.968 -0.116 424 HB3 GLU 51 HB1 GLU 51 -1.957 -8.520 -0.910 425 HG2 GLU 51 HG2 GLU 51 -3.916 -8.207 -2.217 426 HG3 GLU 51 HG1 GLU 51 -4.391 -6.795 -1.274 427 H SER 52 HN SER 52 -5.990 -8.595 0.827 428 HA SER 52 HA SER 52 -6.224 -11.226 -0.447 429 HB2 SER 52 HB2 SER 52 -8.455 -9.794 0.980 430 HB3 SER 52 HB1 SER 52 -8.251 -11.525 0.708 431 HG SER 52 HG SER 52 -6.634 -9.907 2.391 432 H SER 53 HN SER 53 -7.441 -11.582 -2.238 433 HA SER 53 HA SER 53 -9.054 -9.443 -3.363 434 HB2 SER 53 HB2 SER 53 -7.906 -9.520 -5.542 435 HB3 SER 53 HB1 SER 53 -6.818 -8.978 -4.265 436 HG SER 53 HG SER 53 -6.069 -10.678 -5.817 437 H ALA 54 HN ALA 54 -10.306 -10.179 -5.257 438 HA ALA 54 HA ALA 54 -11.107 -12.956 -4.885 439 HB1 ALA 54 HB1 ALA 54 -12.598 -10.741 -5.143 440 HB2 ALA 54 HB2 ALA 54 -13.168 -12.351 -5.583 441 HB3 ALA 54 HB3 ALA 54 -12.548 -11.264 -6.826 442 H PHE 55 HN PHE 55 -8.676 -11.876 -6.503 443 HA PHE 55 HA PHE 55 -9.275 -13.385 -8.961 444 HB2 PHE 55 HB2 PHE 55 -8.660 -10.782 -8.949 445 HB3 PHE 55 HB1 PHE 55 -7.027 -11.439 -8.943 446 HD1 PHE 55 HD2 PHE 55 -10.198 -11.311 -10.814 447 HD2 PHE 55 HD1 PHE 55 -6.096 -12.442 -10.875 448 HE1 PHE 55 HE2 PHE 55 -10.333 -11.655 -13.246 449 HE2 PHE 55 HE1 PHE 55 -6.223 -12.787 -13.308 450 HZ PHE 55 HZ PHE 55 -8.344 -12.395 -14.496 451 H ARG 56 HN ARG 56 -7.094 -12.918 -6.291 452 HA ARG 56 HA ARG 56 -5.958 -15.471 -6.530 453 HB2 ARG 56 HB2 ARG 56 -4.858 -13.857 -8.406 454 HB3 ARG 56 HB1 ARG 56 -3.775 -13.547 -7.056 455 HG2 ARG 56 HG2 ARG 56 -2.671 -15.322 -7.862 456 HG3 ARG 56 HG1 ARG 56 -3.890 -16.241 -6.978 457 HD2 ARG 56 HD2 ARG 56 -4.673 -15.403 -9.684 458 HD3 ARG 56 HD1 ARG 56 -3.339 -16.553 -9.616 459 HE ARG 56 HE ARG 56 -6.074 -17.109 -9.142 460 HH11 ARG 56 HH11 ARG 56 -2.875 -17.943 -8.026 461 HH12 ARG 56 HH12 ARG 56 -3.340 -19.519 -7.481 462 HH21 ARG 56 HH21 ARG 56 -6.688 -19.181 -8.425 463 HH22 ARG 56 HH22 ARG 56 -5.505 -20.223 -7.708 464 H ASN 57 HN ASN 57 -3.529 -15.191 -5.318 465 HA ASN 57 HA ASN 57 -4.299 -14.043 -2.734 466 HB2 ASN 57 HB2 ASN 57 -2.555 -16.295 -3.585 467 HB3 ASN 57 HB1 ASN 57 -2.088 -15.427 -2.126 468 HD21 ASN 57 HD21 ASN 57 -3.317 -15.607 -0.298 469 HD22 ASN 57 HD22 ASN 57 -4.610 -16.742 -0.136 470 H ILE 58 HN ILE 58 -2.953 -12.656 -1.589 471 HA ILE 58 HA ILE 58 -0.471 -11.748 -2.797 472 HB ILE 58 HB ILE 58 -2.631 -9.729 -2.207 473 HG12 ILE 58 HG12 ILE 58 -1.776 -10.848 -4.886 474 HG13 ILE 58 HG11 ILE 58 -3.335 -11.103 -4.108 475 HG21 ILE 58 HG21 ILE 58 0.009 -9.503 -3.646 476 HG22 ILE 58 HG22 ILE 58 -0.339 -8.917 -2.020 477 HG23 ILE 58 HG23 ILE 58 -1.152 -8.198 -3.409 478 HD11 ILE 58 HD11 ILE 58 -3.880 -9.437 -5.555 479 HD12 ILE 58 HD12 ILE 58 -2.274 -8.710 -5.498 480 HD13 ILE 58 HD13 ILE 58 -3.399 -8.470 -4.161 481 H GLU 59 HN GLU 59 0.925 -10.764 -1.347 482 HA GLU 59 HA GLU 59 0.291 -9.699 1.142 483 HB2 GLU 59 HB2 GLU 59 1.125 -11.617 2.595 484 HB3 GLU 59 HB1 GLU 59 -0.492 -11.784 1.925 485 HG2 GLU 59 HG2 GLU 59 0.233 -13.345 0.311 486 HG3 GLU 59 HG1 GLU 59 1.931 -12.995 0.630 487 H VAL 60 HN VAL 60 2.305 -9.837 2.689 488 HA VAL 60 HA VAL 60 4.848 -10.424 1.675 489 HB VAL 60 HB VAL 60 4.318 -8.626 0.058 490 HG11 VAL 60 HG11 VAL 60 2.877 -7.286 1.534 491 HG12 VAL 60 HG12 VAL 60 4.145 -6.322 0.779 492 HG13 VAL 60 HG13 VAL 60 4.296 -6.811 2.468 493 HG21 VAL 60 HG21 VAL 60 6.501 -7.820 1.975 494 HG22 VAL 60 HG22 VAL 60 6.407 -7.462 0.250 495 HG23 VAL 60 HG23 VAL 60 6.641 -9.122 0.795 496 H VAL 61 HN VAL 61 6.605 -9.520 3.009 497 HA VAL 61 HA VAL 61 5.697 -9.156 5.756 498 HB VAL 61 HB VAL 61 8.271 -9.995 4.486 499 HG11 VAL 61 HG11 VAL 61 8.018 -8.661 7.156 500 HG12 VAL 61 HG12 VAL 61 9.234 -8.426 5.901 501 HG13 VAL 61 HG13 VAL 61 9.247 -9.895 6.875 502 HG21 VAL 61 HG21 VAL 61 6.196 -11.149 6.151 503 HG22 VAL 61 HG22 VAL 61 7.812 -11.450 6.792 504 HG23 VAL 61 HG23 VAL 61 7.410 -11.940 5.146 505 H PHE 62 HN PHE 62 6.320 -7.444 7.079 506 HA PHE 62 HA PHE 62 7.533 -5.120 5.720 507 HB2 PHE 62 HB2 PHE 62 4.978 -5.358 7.176 508 HB3 PHE 62 HB1 PHE 62 5.976 -4.004 7.688 509 HD1 PHE 62 HD1 PHE 62 7.217 -3.324 5.034 510 HD2 PHE 62 HD2 PHE 62 3.216 -4.273 6.124 511 HE1 PHE 62 HE1 PHE 62 6.387 -1.984 3.146 512 HE2 PHE 62 HE2 PHE 62 2.379 -2.937 4.238 513 HZ PHE 62 HZ PHE 62 3.965 -1.789 2.747 514 H GLU 63 HN GLU 63 8.917 -3.866 6.933 515 HA GLU 63 HA GLU 63 9.413 -4.601 9.697 516 HB2 GLU 63 HB2 GLU 63 10.711 -6.066 7.933 517 HB3 GLU 63 HB1 GLU 63 11.760 -4.665 7.868 518 HG2 GLU 63 HG2 GLU 63 11.043 -5.855 10.507 519 HG3 GLU 63 HG1 GLU 63 12.259 -6.637 9.501 520 H LEU 64 HN LEU 64 10.016 -2.925 10.878 521 HA LEU 64 HA LEU 64 10.168 -0.342 9.682 522 HB2 LEU 64 HB2 LEU 64 10.950 -1.000 12.498 523 HB3 LEU 64 HB1 LEU 64 10.272 0.498 11.884 524 HG LEU 64 HG LEU 64 8.866 -2.115 12.410 525 HD11 LEU 64 HD11 LEU 64 8.529 0.706 13.410 526 HD12 LEU 64 HD12 LEU 64 9.051 -0.707 14.328 527 HD13 LEU 64 HD13 LEU 64 7.392 -0.603 13.738 528 HD21 LEU 64 HD21 LEU 64 7.219 -1.677 10.976 529 HD22 LEU 64 HD22 LEU 64 8.314 -0.523 10.215 530 HD23 LEU 64 HD23 LEU 64 7.165 0.024 11.432 531 H GLY 65 HN GLY 65 11.908 0.159 8.500 532 HA2 GLY 65 HA2 GLY 65 14.130 1.086 8.578 533 HA3 GLY 65 HA1 GLY 65 14.545 -0.114 9.794 534 H VAL 66 HN VAL 66 12.665 -1.246 7.184 535 HA VAL 66 HA VAL 66 15.056 -2.238 5.785 536 HB VAL 66 HB VAL 66 12.571 -3.884 6.265 537 HG11 VAL 66 HG11 VAL 66 14.351 -5.692 5.613 538 HG12 VAL 66 HG12 VAL 66 15.157 -4.323 4.845 539 HG13 VAL 66 HG13 VAL 66 13.518 -4.765 4.364 540 HG21 VAL 66 HG21 VAL 66 13.712 -5.068 7.961 541 HG22 VAL 66 HG22 VAL 66 13.940 -3.357 8.333 542 HG23 VAL 66 HG23 VAL 66 15.244 -4.280 7.585 543 H THR 67 HN THR 67 14.669 -2.856 3.578 544 HA THR 67 HA THR 67 12.888 -0.981 2.319 545 HB THR 67 HB THR 67 15.113 -2.754 1.425 546 HG1 THR 67 HG1 THR 67 15.477 -0.596 2.115 547 HG21 THR 67 HG21 THR 67 13.450 -3.122 -0.316 548 HG22 THR 67 HG22 THR 67 14.777 -2.122 -0.906 549 HG23 THR 67 HG23 THR 67 13.232 -1.380 -0.488 550 H PHE 68 HN PHE 68 11.220 -1.438 0.927 551 HA PHE 68 HA PHE 68 9.825 -3.910 1.406 552 HB2 PHE 68 HB2 PHE 68 8.935 -1.410 1.065 553 HB3 PHE 68 HB1 PHE 68 8.844 -1.942 -0.602 554 HD1 PHE 68 HD2 PHE 68 8.277 -4.786 1.354 555 HD2 PHE 68 HD1 PHE 68 6.408 -1.160 0.138 556 HE1 PHE 68 HE2 PHE 68 6.079 -5.766 1.800 557 HE2 PHE 68 HE1 PHE 68 4.203 -2.141 0.574 558 HZ PHE 68 HZ PHE 68 4.034 -4.454 1.409 559 H ASN 69 HN ASN 69 9.159 -5.351 -0.260 560 HA ASN 69 HA ASN 69 10.845 -5.220 -2.675 561 HB2 ASN 69 HB2 ASN 69 10.993 -7.668 -2.624 562 HB3 ASN 69 HB1 ASN 69 11.644 -6.957 -1.150 563 HD21 ASN 69 HD21 ASN 69 10.397 -7.073 0.768 564 HD22 ASN 69 HD22 ASN 69 9.204 -8.306 0.972 565 H TYR 70 HN TYR 70 9.731 -5.006 -4.468 566 HA TYR 70 HA TYR 70 7.275 -6.535 -4.836 567 HB2 TYR 70 HB2 TYR 70 7.214 -3.782 -4.261 568 HB3 TYR 70 HB1 TYR 70 6.924 -3.911 -5.994 569 HD1 TYR 70 HD2 TYR 70 5.182 -5.826 -6.643 570 HD2 TYR 70 HD1 TYR 70 5.384 -3.892 -2.860 571 HE1 TYR 70 HE2 TYR 70 2.844 -6.447 -6.208 572 HE2 TYR 70 HE1 TYR 70 3.046 -4.510 -2.413 573 HH TYR 70 HH TYR 70 1.407 -6.820 -4.072 574 H ASN 71 HN ASN 71 9.953 -6.807 -5.831 575 HA ASN 71 HA ASN 71 9.893 -5.911 -8.588 576 HB2 ASN 71 HB2 ASN 71 12.091 -7.122 -8.723 577 HB3 ASN 71 HB1 ASN 71 12.036 -5.840 -7.516 578 HD21 ASN 71 HD21 ASN 71 13.599 -8.411 -7.842 579 HD22 ASN 71 HD22 ASN 71 13.444 -9.191 -6.309 580 H LEU 72 HN LEU 72 8.081 -7.034 -9.382 581 HA LEU 72 HA LEU 72 8.689 -9.733 -10.236 582 HB2 LEU 72 HB2 LEU 72 6.273 -9.097 -8.545 583 HB3 LEU 72 HB1 LEU 72 6.430 -10.558 -9.501 584 HG LEU 72 HG LEU 72 8.353 -9.787 -7.310 585 HD11 LEU 72 HD11 LEU 72 6.419 -11.999 -6.958 586 HD12 LEU 72 HD12 LEU 72 5.805 -10.354 -6.794 587 HD13 LEU 72 HD13 LEU 72 7.127 -10.908 -5.767 588 HD21 LEU 72 HD21 LEU 72 8.747 -11.520 -9.343 589 HD22 LEU 72 HD22 LEU 72 7.993 -12.582 -8.154 590 HD23 LEU 72 HD23 LEU 72 9.462 -11.698 -7.740 591 H ALA 73 HN ALA 73 8.289 -9.747 -12.339 592 HA ALA 73 HA ALA 73 6.992 -7.766 -13.771 593 HB1 ALA 73 HB1 ALA 73 8.247 -9.012 -15.182 594 HB2 ALA 73 HB2 ALA 73 6.706 -9.822 -15.463 595 HB3 ALA 73 HB3 ALA 73 7.881 -10.523 -14.350 596 H ASP 74 HN ASP 74 5.654 -10.464 -12.061 597 HA ASP 74 HA ASP 74 3.182 -10.681 -13.384 598 HB2 ASP 74 HB2 ASP 74 4.190 -11.439 -10.669 599 HB3 ASP 74 HB1 ASP 74 2.463 -11.534 -11.002 600 H GLY 75 HN GLY 75 4.377 -8.420 -11.013 601 HA2 GLY 75 HA2 GLY 75 1.736 -7.099 -11.050 602 HA3 GLY 75 HA1 GLY 75 2.701 -7.202 -9.587 603 H THR 76 HN THR 76 4.932 -6.228 -9.766 604 HA THR 76 HA THR 76 5.320 -4.180 -11.740 605 HB THR 76 HB THR 76 3.631 -3.236 -10.110 606 HG1 THR 76 HG1 THR 76 4.488 -1.523 -10.942 607 HG21 THR 76 HG21 THR 76 5.995 -3.155 -8.253 608 HG22 THR 76 HG22 THR 76 4.548 -4.140 -8.040 609 HG23 THR 76 HG23 THR 76 4.433 -2.380 -7.992 610 H GLU 77 HN GLU 77 7.048 -2.540 -10.233 611 HA GLU 77 HA GLU 77 9.035 -4.277 -9.027 612 HB2 GLU 77 HB2 GLU 77 9.542 -4.377 -11.440 613 HB3 GLU 77 HB1 GLU 77 9.669 -2.624 -11.479 614 HG2 GLU 77 HG2 GLU 77 11.861 -3.106 -11.271 615 HG3 GLU 77 HG1 GLU 77 11.441 -3.105 -9.558 616 H LEU 78 HN LEU 78 8.123 -2.833 -7.300 617 HA LEU 78 HA LEU 78 9.501 -0.230 -7.297 618 HB2 LEU 78 HB2 LEU 78 6.848 -1.097 -6.266 619 HB3 LEU 78 HB1 LEU 78 7.718 0.116 -5.353 620 HG LEU 78 HG LEU 78 7.802 0.955 -8.042 621 HD11 LEU 78 HD11 LEU 78 5.795 0.632 -8.979 622 HD12 LEU 78 HD12 LEU 78 4.941 0.815 -7.444 623 HD13 LEU 78 HD13 LEU 78 5.678 -0.733 -7.867 624 HD21 LEU 78 HD21 LEU 78 6.238 1.892 -5.655 625 HD22 LEU 78 HD22 LEU 78 6.350 2.776 -7.176 626 HD23 LEU 78 HD23 LEU 78 7.801 2.484 -6.221 627 H ARG 79 HN ARG 79 10.792 0.306 -5.620 628 HA ARG 79 HA ARG 79 11.136 -1.670 -3.456 629 HB2 ARG 79 HB2 ARG 79 12.963 -1.349 -5.370 630 HB3 ARG 79 HB1 ARG 79 13.436 0.001 -4.346 631 HG2 ARG 79 HG2 ARG 79 14.650 -1.444 -3.180 632 HG3 ARG 79 HG1 ARG 79 13.133 -2.121 -2.584 633 HD2 ARG 79 HD2 ARG 79 13.722 -4.042 -3.539 634 HD3 ARG 79 HD1 ARG 79 13.475 -3.260 -5.100 635 HE ARG 79 HE ARG 79 15.748 -3.178 -5.384 636 HH11 ARG 79 HH11 ARG 79 15.045 -3.914 -2.046 637 HH12 ARG 79 HH12 ARG 79 16.693 -4.264 -1.646 638 HH21 ARG 79 HH21 ARG 79 17.916 -3.639 -4.860 639 HH22 ARG 79 HH22 ARG 79 18.323 -4.108 -3.243 640 H GLY 80 HN GLY 80 10.746 -0.803 -1.488 641 HA2 GLY 80 HA2 GLY 80 11.403 2.043 -1.105 642 HA3 GLY 80 HA1 GLY 80 9.784 1.478 -0.744 643 H THR 81 HN THR 81 10.006 2.194 1.382 644 HA THR 81 HA THR 81 11.145 0.217 3.147 645 HB THR 81 HB THR 81 12.201 2.205 4.501 646 HG1 THR 81 HG1 THR 81 12.224 3.998 3.444 647 HG21 THR 81 HG21 THR 81 13.540 1.077 2.059 648 HG22 THR 81 HG22 THR 81 13.547 0.385 3.682 649 HG23 THR 81 HG23 THR 81 14.356 1.921 3.375 650 H TRP 82 HN TRP 82 9.983 0.034 4.987 651 HA TRP 82 HA TRP 82 7.856 2.039 5.442 652 HB2 TRP 82 HB2 TRP 82 7.870 -0.887 5.397 653 HB3 TRP 82 HB1 TRP 82 7.165 -0.245 6.876 654 HD1 TRP 82 HD1 TRP 82 6.796 0.921 3.183 655 HE1 TRP 82 HE1 TRP 82 4.281 1.086 2.663 656 HE3 TRP 82 HE3 TRP 82 4.929 -0.684 7.668 657 HZ2 TRP 82 HZ2 TRP 82 1.831 0.598 3.976 658 HZ3 TRP 82 HZ3 TRP 82 2.488 -0.808 7.951 659 HH2 TRP 82 HH2 TRP 82 0.973 -0.178 6.143 660 H SER 83 HN SER 83 7.924 3.149 7.297 661 HA SER 83 HA SER 83 9.385 2.026 9.580 662 HB2 SER 83 HB2 SER 83 10.204 4.289 8.000 663 HB3 SER 83 HB1 SER 83 9.830 4.814 9.641 664 HG SER 83 HG SER 83 12.019 3.656 8.837 665 H LEU 84 HN LEU 84 8.670 2.740 11.624 666 HA LEU 84 HA LEU 84 6.095 4.163 11.549 667 HB2 LEU 84 HB2 LEU 84 6.503 1.587 12.370 668 HB3 LEU 84 HB1 LEU 84 6.571 2.465 13.885 669 HG LEU 84 HG LEU 84 4.315 3.219 12.166 670 HD11 LEU 84 HD11 LEU 84 4.538 0.425 13.267 671 HD12 LEU 84 HD12 LEU 84 4.293 0.900 11.586 672 HD13 LEU 84 HD13 LEU 84 3.021 1.179 12.776 673 HD21 LEU 84 HD21 LEU 84 4.903 2.742 15.033 674 HD22 LEU 84 HD22 LEU 84 3.230 2.601 14.495 675 HD23 LEU 84 HD23 LEU 84 4.112 4.108 14.247 676 H GLU 85 HN GLU 85 5.912 5.944 12.680 677 HA GLU 85 HA GLU 85 7.914 6.513 14.761 678 HB2 GLU 85 HB2 GLU 85 6.638 8.509 12.880 679 HB3 GLU 85 HB1 GLU 85 7.841 8.863 14.110 680 HG2 GLU 85 HG2 GLU 85 8.746 6.805 12.294 681 HG3 GLU 85 HG1 GLU 85 8.304 8.285 11.444 682 H GLY 86 HN GLY 86 6.804 6.194 16.608 683 HA2 GLY 86 HA2 GLY 86 5.347 6.765 18.311 684 HA3 GLY 86 HA1 GLY 86 4.672 8.003 17.263 685 H ASN 87 HN ASN 87 2.706 7.673 16.429 686 HA ASN 87 HA ASN 87 1.585 4.960 16.659 687 HB2 ASN 87 HB2 ASN 87 0.018 7.542 16.684 688 HB3 ASN 87 HB1 ASN 87 -0.573 5.928 17.065 689 HD21 ASN 87 HD21 ASN 87 1.426 8.577 18.151 690 HD22 ASN 87 HD22 ASN 87 1.468 8.118 19.816 691 H LYS 88 HN LYS 88 3.015 6.380 14.367 692 HA LYS 88 HA LYS 88 1.011 5.696 12.344 693 HB2 LYS 88 HB2 LYS 88 1.744 7.681 10.991 694 HB3 LYS 88 HB1 LYS 88 0.825 8.072 12.438 695 HG2 LYS 88 HG2 LYS 88 3.111 8.384 13.563 696 HG3 LYS 88 HG1 LYS 88 3.751 8.429 11.919 697 HD2 LYS 88 HD2 LYS 88 1.877 10.194 11.528 698 HD3 LYS 88 HD1 LYS 88 1.897 10.337 13.287 699 HE2 LYS 88 HE2 LYS 88 3.446 11.926 12.767 700 HE3 LYS 88 HE1 LYS 88 4.503 10.520 12.879 701 HZ1 LYS 88 HZ1 LYS 88 4.075 10.289 10.390 702 HZ2 LYS 88 HZ2 LYS 88 5.102 11.536 10.893 703 HZ3 LYS 88 HZ3 LYS 88 3.505 11.881 10.456 704 H LEU 89 HN LEU 89 1.925 5.262 10.223 705 HA LEU 89 HA LEU 89 4.787 4.578 10.301 706 HB2 LEU 89 HB2 LEU 89 4.229 2.571 8.916 707 HB3 LEU 89 HB1 LEU 89 3.665 2.503 10.573 708 HG LEU 89 HG LEU 89 1.473 3.529 9.331 709 HD11 LEU 89 HD11 LEU 89 1.286 1.799 7.366 710 HD12 LEU 89 HD12 LEU 89 3.041 1.972 7.340 711 HD13 LEU 89 HD13 LEU 89 2.013 3.385 7.114 712 HD21 LEU 89 HD21 LEU 89 0.506 1.346 9.593 713 HD22 LEU 89 HD22 LEU 89 1.622 1.632 10.928 714 HD23 LEU 89 HD23 LEU 89 2.099 0.591 9.586 715 H ILE 90 HN ILE 90 5.934 4.825 8.389 716 HA ILE 90 HA ILE 90 4.442 6.037 6.156 717 HB ILE 90 HB ILE 90 7.236 6.919 6.770 718 HG12 ILE 90 HG12 ILE 90 5.853 8.966 7.804 719 HG13 ILE 90 HG11 ILE 90 4.732 7.670 8.209 720 HG21 ILE 90 HG21 ILE 90 5.907 7.371 4.601 721 HG22 ILE 90 HG22 ILE 90 6.747 8.717 5.372 722 HG23 ILE 90 HG23 ILE 90 5.005 8.532 5.576 723 HD11 ILE 90 HD11 ILE 90 6.358 6.565 9.528 724 HD12 ILE 90 HD12 ILE 90 6.391 8.268 9.986 725 HD13 ILE 90 HD13 ILE 90 7.646 7.612 8.935 726 H GLY 91 HN GLY 91 4.717 5.069 4.301 727 HA2 GLY 91 HA2 GLY 91 7.138 3.446 3.865 728 HA3 GLY 91 HA1 GLY 91 5.556 3.033 3.215 729 H LYS 92 HN LYS 92 8.092 3.504 1.792 730 HA LYS 92 HA LYS 92 7.036 5.336 -0.190 731 HB2 LYS 92 HB2 LYS 92 9.521 6.345 -0.203 732 HB3 LYS 92 HB1 LYS 92 8.210 7.065 0.715 733 HG2 LYS 92 HG2 LYS 92 9.330 5.144 2.414 734 HG3 LYS 92 HG1 LYS 92 10.694 5.941 1.633 735 HD2 LYS 92 HD2 LYS 92 10.042 7.048 3.732 736 HD3 LYS 92 HD1 LYS 92 9.864 8.112 2.335 737 HE2 LYS 92 HE2 LYS 92 7.399 6.972 2.467 738 HE3 LYS 92 HE1 LYS 92 7.842 7.034 4.170 739 HZ1 LYS 92 HZ1 LYS 92 8.145 9.366 4.043 740 HZ2 LYS 92 HZ2 LYS 92 6.656 9.034 3.313 741 HZ3 LYS 92 HZ3 LYS 92 8.008 9.374 2.356 742 H PHE 93 HN PHE 93 7.364 4.461 -2.146 743 HA PHE 93 HA PHE 93 9.376 2.342 -2.387 744 HB2 PHE 93 HB2 PHE 93 7.050 3.040 -4.185 745 HB3 PHE 93 HB1 PHE 93 8.217 1.774 -4.506 746 HD1 PHE 93 HD2 PHE 93 5.508 2.810 -2.196 747 HD2 PHE 93 HD1 PHE 93 8.027 -0.349 -3.562 748 HE1 PHE 93 HE2 PHE 93 4.121 1.185 -1.000 749 HE2 PHE 93 HE1 PHE 93 6.616 -1.977 -2.376 750 HZ PHE 93 HZ PHE 93 4.659 -1.206 -1.099 751 H LYS 94 HN LYS 94 10.271 2.103 -4.647 752 HA LYS 94 HA LYS 94 10.823 4.582 -6.030 753 HB2 LYS 94 HB2 LYS 94 12.788 3.182 -4.329 754 HB3 LYS 94 HB1 LYS 94 13.362 3.629 -5.930 755 HG2 LYS 94 HG2 LYS 94 11.971 5.665 -4.259 756 HG3 LYS 94 HG1 LYS 94 13.649 5.251 -3.917 757 HD2 LYS 94 HD2 LYS 94 13.165 5.678 -6.750 758 HD3 LYS 94 HD1 LYS 94 12.764 7.094 -5.778 759 HE2 LYS 94 HE2 LYS 94 15.395 5.679 -6.050 760 HE3 LYS 94 HE1 LYS 94 15.017 7.376 -6.342 761 HZ1 LYS 94 HZ1 LYS 94 15.547 5.999 -3.822 762 HZ2 LYS 94 HZ2 LYS 94 14.412 7.253 -3.792 763 HZ3 LYS 94 HZ3 LYS 94 15.991 7.554 -4.320 764 H ARG 95 HN ARG 95 10.714 4.181 -8.142 765 HA ARG 95 HA ARG 95 10.488 1.494 -9.097 766 HB2 ARG 95 HB2 ARG 95 10.266 4.203 -10.289 767 HB3 ARG 95 HB1 ARG 95 10.626 2.875 -11.382 768 HG2 ARG 95 HG2 ARG 95 8.567 1.865 -9.886 769 HG3 ARG 95 HG1 ARG 95 8.140 3.570 -10.031 770 HD2 ARG 95 HD2 ARG 95 7.164 2.670 -11.919 771 HD3 ARG 95 HD1 ARG 95 8.714 3.233 -12.541 772 HE ARG 95 HE ARG 95 9.309 1.057 -12.940 773 HH11 ARG 95 HH11 ARG 95 6.521 1.103 -10.841 774 HH12 ARG 95 HH12 ARG 95 6.263 -0.606 -10.939 775 HH21 ARG 95 HH21 ARG 95 8.971 -1.191 -13.071 776 HH22 ARG 95 HH22 ARG 95 7.654 -1.909 -12.205 777 H THR 96 HN THR 96 11.837 0.300 -10.300 778 HA THR 96 HA THR 96 14.635 0.844 -10.069 779 HB THR 96 HB THR 96 12.915 -1.395 -10.785 780 HG1 THR 96 HG1 THR 96 15.451 -1.069 -9.591 781 HG21 THR 96 HG21 THR 96 14.027 -1.280 -12.942 782 HG22 THR 96 HG22 THR 96 14.587 -2.673 -12.017 783 HG23 THR 96 HG23 THR 96 15.598 -1.233 -12.141 784 H ASP 97 HN ASP 97 12.229 1.420 -12.460 785 HA ASP 97 HA ASP 97 13.614 1.350 -14.840 786 HB2 ASP 97 HB2 ASP 97 11.207 1.830 -14.665 787 HB3 ASP 97 HB1 ASP 97 11.570 3.413 -13.985 788 H ASN 98 HN ASN 98 13.409 4.073 -12.555 789 HA ASN 98 HA ASN 98 16.049 4.953 -13.330 790 HB2 ASN 98 HB2 ASN 98 13.579 6.392 -14.167 791 HB3 ASN 98 HB1 ASN 98 14.941 7.364 -13.616 792 HD21 ASN 98 HD21 ASN 98 13.532 6.407 -16.288 793 HD22 ASN 98 HD22 ASN 98 14.888 6.205 -17.339 794 H GLY 99 HN GLY 99 14.676 4.002 -10.923 795 HA2 GLY 99 HA2 GLY 99 14.574 4.476 -8.684 796 HA3 GLY 99 HA1 GLY 99 15.836 5.651 -9.011 797 H ASN 100 HN ASN 100 12.390 5.459 -9.910 798 HA ASN 100 HA ASN 100 12.034 8.260 -9.411 799 HB2 ASN 100 HB2 ASN 100 10.128 6.035 -10.121 800 HB3 ASN 100 HB1 ASN 100 9.588 7.681 -9.828 801 HD21 ASN 100 HD21 ASN 100 9.071 6.569 -12.217 802 HD22 ASN 100 HD22 ASN 100 10.058 7.276 -13.446 803 H GLU 101 HN GLU 101 10.976 9.236 -7.705 804 HA GLU 101 HA GLU 101 10.994 7.779 -5.239 805 HB2 GLU 101 HB2 GLU 101 10.888 10.605 -6.053 806 HB3 GLU 101 HB1 GLU 101 10.041 10.222 -4.560 807 HG2 GLU 101 HG2 GLU 101 12.686 9.017 -4.748 808 HG3 GLU 101 HG1 GLU 101 12.696 10.775 -4.788 809 H LEU 102 HN LEU 102 9.382 7.144 -4.038 810 HA LEU 102 HA LEU 102 6.632 7.867 -4.759 811 HB2 LEU 102 HB2 LEU 102 7.455 5.646 -5.751 812 HB3 LEU 102 HB1 LEU 102 7.407 5.036 -4.106 813 HG LEU 102 HG LEU 102 4.909 6.328 -4.886 814 HD11 LEU 102 HD11 LEU 102 4.822 3.790 -6.170 815 HD12 LEU 102 HD12 LEU 102 6.120 4.751 -6.879 816 HD13 LEU 102 HD13 LEU 102 4.476 5.384 -6.836 817 HD21 LEU 102 HD21 LEU 102 5.132 3.472 -4.141 818 HD22 LEU 102 HD22 LEU 102 3.976 4.696 -3.617 819 HD23 LEU 102 HD23 LEU 102 5.606 4.680 -2.948 820 H ASN 103 HN ASN 103 5.829 8.797 -2.975 821 HA ASN 103 HA ASN 103 6.742 7.863 -0.352 822 HB2 ASN 103 HB2 ASN 103 5.196 10.397 -0.868 823 HB3 ASN 103 HB1 ASN 103 6.214 9.995 0.514 824 HD21 ASN 103 HD21 ASN 103 6.337 12.312 -1.198 825 HD22 ASN 103 HD22 ASN 103 7.914 12.324 -1.903 826 H THR 104 HN THR 104 5.323 7.468 1.320 827 HA THR 104 HA THR 104 2.467 7.435 0.800 828 HB THR 104 HB THR 104 2.097 5.178 1.003 829 HG1 THR 104 HG1 THR 104 3.067 3.985 2.425 830 HG21 THR 104 HG21 THR 104 3.625 3.875 -0.291 831 HG22 THR 104 HG22 THR 104 4.913 5.052 -0.037 832 HG23 THR 104 HG23 THR 104 3.504 5.483 -1.006 833 H VAL 105 HN VAL 105 1.557 8.391 2.474 834 HA VAL 105 HA VAL 105 2.818 8.090 5.120 835 HB VAL 105 HB VAL 105 1.018 10.340 4.214 836 HG11 VAL 105 HG11 VAL 105 2.349 11.337 6.296 837 HG12 VAL 105 HG12 VAL 105 2.368 9.634 6.755 838 HG13 VAL 105 HG13 VAL 105 0.832 10.456 6.475 839 HG21 VAL 105 HG21 VAL 105 3.576 9.922 3.339 840 HG22 VAL 105 HG22 VAL 105 3.828 10.952 4.748 841 HG23 VAL 105 HG23 VAL 105 2.778 11.491 3.438 842 H ARG 106 HN ARG 106 1.694 7.144 6.692 843 HA ARG 106 HA ARG 106 -1.204 6.772 6.305 844 HB2 ARG 106 HB2 ARG 106 0.823 4.819 6.554 845 HB3 ARG 106 HB1 ARG 106 -0.085 4.788 8.059 846 HG2 ARG 106 HG2 ARG 106 -1.882 3.869 7.096 847 HG3 ARG 106 HG1 ARG 106 -1.753 4.882 5.657 848 HD2 ARG 106 HD2 ARG 106 -0.539 3.351 4.529 849 HD3 ARG 106 HD1 ARG 106 0.356 2.854 5.962 850 HE ARG 106 HE ARG 106 -1.872 1.540 4.852 851 HH11 ARG 106 HH11 ARG 106 -0.548 2.456 7.947 852 HH12 ARG 106 HH12 ARG 106 -1.297 1.143 8.793 853 HH21 ARG 106 HH21 ARG 106 -2.857 -0.184 5.963 854 HH22 ARG 106 HH22 ARG 106 -2.607 -0.355 7.668 855 H GLU 107 HN GLU 107 -2.325 7.919 7.729 856 HA GLU 107 HA GLU 107 -1.306 8.106 10.487 857 HB2 GLU 107 HB2 GLU 107 -2.337 10.390 10.594 858 HB3 GLU 107 HB1 GLU 107 -0.941 10.269 9.534 859 HG2 GLU 107 HG2 GLU 107 -2.868 9.807 7.748 860 HG3 GLU 107 HG1 GLU 107 -3.772 10.793 8.896 861 H ILE 108 HN ILE 108 -2.870 8.113 12.136 862 HA ILE 108 HA ILE 108 -5.327 6.773 11.387 863 HB ILE 108 HB ILE 108 -4.574 7.568 14.188 864 HG12 ILE 108 HG12 ILE 108 -2.681 6.352 13.054 865 HG13 ILE 108 HG11 ILE 108 -3.345 5.528 14.461 866 HG21 ILE 108 HG21 ILE 108 -6.008 5.806 14.859 867 HG22 ILE 108 HG22 ILE 108 -6.109 5.168 13.218 868 HG23 ILE 108 HG23 ILE 108 -6.876 6.707 13.615 869 HD11 ILE 108 HD11 ILE 108 -3.893 3.745 13.263 870 HD12 ILE 108 HD12 ILE 108 -2.914 4.439 11.971 871 HD13 ILE 108 HD13 ILE 108 -4.654 4.725 12.012 872 H ILE 109 HN ILE 109 -6.631 8.301 10.430 873 HA ILE 109 HA ILE 109 -7.220 10.770 11.825 874 HB ILE 109 HB ILE 109 -7.109 10.373 9.234 875 HG12 ILE 109 HG12 ILE 109 -9.000 12.163 9.025 876 HG13 ILE 109 HG11 ILE 109 -9.008 12.097 10.785 877 HG21 ILE 109 HG21 ILE 109 -10.012 9.780 9.751 878 HG22 ILE 109 HG22 ILE 109 -8.811 8.571 9.291 879 HG23 ILE 109 HG23 ILE 109 -9.207 9.888 8.184 880 HD11 ILE 109 HD11 ILE 109 -7.311 13.577 9.109 881 HD12 ILE 109 HD12 ILE 109 -6.317 12.335 9.872 882 HD13 ILE 109 HD13 ILE 109 -7.261 13.445 10.866 883 H GLY 110 HN GLY 110 -8.636 10.778 13.465 884 HA2 GLY 110 HA2 GLY 110 -10.403 10.149 14.802 885 HA3 GLY 110 HA1 GLY 110 -11.261 9.879 13.301 886 H ASP 111 HN ASP 111 -12.165 7.980 13.327 887 HA ASP 111 HA ASP 111 -10.826 5.720 14.629 888 HB2 ASP 111 HB2 ASP 111 -13.357 6.492 14.962 889 HB3 ASP 111 HB1 ASP 111 -13.592 5.478 13.541 890 H GLU 112 HN GLU 112 -10.504 7.016 11.818 891 HA GLU 112 HA GLU 112 -10.427 4.471 10.347 892 HB2 GLU 112 HB2 GLU 112 -11.451 7.147 9.391 893 HB3 GLU 112 HB1 GLU 112 -10.974 5.870 8.284 894 HG2 GLU 112 HG2 GLU 112 -12.648 4.495 9.854 895 HG3 GLU 112 HG1 GLU 112 -13.349 6.103 10.007 896 H LEU 113 HN LEU 113 -9.096 4.961 8.195 897 HA LEU 113 HA LEU 113 -6.693 6.444 9.042 898 HB2 LEU 113 HB2 LEU 113 -7.001 3.795 7.708 899 HB3 LEU 113 HB1 LEU 113 -5.585 4.760 7.357 900 HG LEU 113 HG LEU 113 -5.504 2.965 9.235 901 HD11 LEU 113 HD11 LEU 113 -3.645 4.003 10.049 902 HD12 LEU 113 HD12 LEU 113 -4.423 5.584 10.123 903 HD13 LEU 113 HD13 LEU 113 -3.895 4.933 8.573 904 HD21 LEU 113 HD21 LEU 113 -7.559 3.944 10.346 905 HD22 LEU 113 HD22 LEU 113 -6.521 5.271 10.867 906 HD23 LEU 113 HD23 LEU 113 -6.176 3.623 11.392 907 H VAL 114 HN VAL 114 -5.955 7.975 7.763 908 HA VAL 114 HA VAL 114 -7.150 8.263 5.082 909 HB VAL 114 HB VAL 114 -7.505 10.192 6.563 910 HG11 VAL 114 HG11 VAL 114 -4.728 11.099 6.565 911 HG12 VAL 114 HG12 VAL 114 -5.011 9.660 7.545 912 HG13 VAL 114 HG13 VAL 114 -5.935 11.131 7.850 913 HG21 VAL 114 HG21 VAL 114 -6.031 10.330 4.038 914 HG22 VAL 114 HG22 VAL 114 -5.937 11.799 5.010 915 HG23 VAL 114 HG23 VAL 114 -7.508 11.153 4.538 916 H GLN 115 HN GLN 115 -5.895 7.800 3.395 917 HA GLN 115 HA GLN 115 -2.987 7.694 3.830 918 HB2 GLN 115 HB2 GLN 115 -4.371 6.246 1.605 919 HB3 GLN 115 HB1 GLN 115 -2.846 5.870 2.393 920 HG2 GLN 115 HG2 GLN 115 -4.533 5.596 4.473 921 HG3 GLN 115 HG1 GLN 115 -5.597 5.145 3.143 922 HE21 GLN 115 HE21 GLN 115 -2.142 4.636 3.744 923 HE22 GLN 115 HE22 GLN 115 -2.192 2.918 3.578 924 H THR 116 HN THR 116 -1.605 8.660 2.499 925 HA THR 116 HA THR 116 -2.566 9.972 0.059 926 HB THR 116 HB THR 116 -0.633 11.552 1.596 927 HG1 THR 116 HG1 THR 116 -3.231 11.083 2.585 928 HG21 THR 116 HG21 THR 116 -1.709 13.382 0.747 929 HG22 THR 116 HG22 THR 116 -3.261 12.552 0.642 930 HG23 THR 116 HG23 THR 116 -1.984 12.183 -0.516 931 H TYR 117 HN TYR 117 -1.381 9.050 -1.468 932 HA TYR 117 HA TYR 117 1.455 8.494 -0.917 933 HB2 TYR 117 HB2 TYR 117 -0.272 7.275 -3.075 934 HB3 TYR 117 HB1 TYR 117 1.345 6.776 -2.604 935 HD1 TYR 117 HD2 TYR 117 -2.107 7.100 -1.180 936 HD2 TYR 117 HD1 TYR 117 1.583 4.979 -1.188 937 HE1 TYR 117 HE2 TYR 117 -3.072 5.428 0.337 938 HE2 TYR 117 HE1 TYR 117 0.624 3.298 0.326 939 HH TYR 117 HH TYR 117 -1.774 2.455 0.852 940 H VAL 118 HN VAL 118 2.958 8.858 -2.705 941 HA VAL 118 HA VAL 118 2.024 10.457 -4.909 942 HB VAL 118 HB VAL 118 2.443 12.105 -3.076 943 HG11 VAL 118 HG11 VAL 118 5.282 12.236 -3.278 944 HG12 VAL 118 HG12 VAL 118 4.828 10.611 -2.766 945 HG13 VAL 118 HG13 VAL 118 4.285 12.011 -1.842 946 HG21 VAL 118 HG21 VAL 118 2.497 13.082 -5.153 947 HG22 VAL 118 HG22 VAL 118 3.868 12.114 -5.692 948 HG23 VAL 118 HG23 VAL 118 4.121 13.454 -4.575 949 H TYR 119 HN TYR 119 3.348 10.348 -6.693 950 HA TYR 119 HA TYR 119 6.042 9.346 -6.499 951 HB2 TYR 119 HB2 TYR 119 4.963 7.242 -6.432 952 HB3 TYR 119 HB1 TYR 119 3.837 7.689 -7.697 953 HD1 TYR 119 HD2 TYR 119 7.364 6.849 -7.011 954 HD2 TYR 119 HD1 TYR 119 4.372 7.376 -9.961 955 HE1 TYR 119 HE2 TYR 119 8.850 5.825 -8.676 956 HE2 TYR 119 HE1 TYR 119 5.842 6.359 -11.653 957 HH TYR 119 HH TYR 119 7.742 4.966 -11.843 958 H GLU 120 HN GLU 120 7.019 10.819 -7.691 959 HA GLU 120 HA GLU 120 7.215 12.515 -9.286 960 HB2 GLU 120 HB2 GLU 120 6.968 10.337 -11.304 961 HB3 GLU 120 HB1 GLU 120 8.181 11.601 -11.163 962 HG2 GLU 120 HG2 GLU 120 8.494 10.036 -8.886 963 HG3 GLU 120 HG1 GLU 120 8.218 8.900 -10.198 964 H GLY 121 HN GLY 121 5.278 13.709 -9.214 965 HA2 GLY 121 HA2 GLY 121 3.553 14.731 -10.386 966 HA3 GLY 121 HA1 GLY 121 3.713 13.508 -11.623 967 H VAL 122 HN VAL 122 3.443 11.302 -9.736 968 HA VAL 122 HA VAL 122 0.569 11.182 -9.712 969 HB VAL 122 HB VAL 122 2.498 9.098 -8.687 970 HG11 VAL 122 HG11 VAL 122 -0.033 8.441 -10.051 971 HG12 VAL 122 HG12 VAL 122 -0.133 9.067 -8.406 972 HG13 VAL 122 HG13 VAL 122 0.806 7.615 -8.747 973 HG21 VAL 122 HG21 VAL 122 1.592 8.492 -11.288 974 HG22 VAL 122 HG22 VAL 122 3.240 8.780 -10.736 975 HG23 VAL 122 HG23 VAL 122 2.260 10.122 -11.321 976 H GLU 123 HN GLU 123 -0.743 10.879 -7.950 977 HA GLU 123 HA GLU 123 0.237 10.724 -5.293 978 HB2 GLU 123 HB2 GLU 123 0.279 13.259 -6.158 979 HB3 GLU 123 HB1 GLU 123 -1.408 13.166 -5.665 980 HG2 GLU 123 HG2 GLU 123 -0.880 12.831 -3.451 981 HG3 GLU 123 HG1 GLU 123 0.724 12.229 -3.811 982 H ALA 124 HN ALA 124 -1.126 9.319 -4.448 983 HA ALA 124 HA ALA 124 -3.961 9.514 -5.209 984 HB1 ALA 124 HB1 ALA 124 -2.555 7.478 -5.979 985 HB2 ALA 124 HB2 ALA 124 -4.154 7.199 -5.288 986 HB3 ALA 124 HB3 ALA 124 -2.713 6.949 -4.304 987 H LYS 125 HN LYS 125 -5.461 9.575 -3.674 988 HA LYS 125 HA LYS 125 -4.554 9.528 -0.867 989 HB2 LYS 125 HB2 LYS 125 -6.703 11.020 -2.337 990 HB3 LYS 125 HB1 LYS 125 -6.946 10.655 -0.638 991 HG2 LYS 125 HG2 LYS 125 -6.033 12.890 -0.961 992 HG3 LYS 125 HG1 LYS 125 -4.923 11.858 -0.061 993 HD2 LYS 125 HD2 LYS 125 -3.473 12.833 -1.542 994 HD3 LYS 125 HD1 LYS 125 -3.929 11.400 -2.454 995 HE2 LYS 125 HE2 LYS 125 -4.794 14.240 -2.830 996 HE3 LYS 125 HE1 LYS 125 -4.094 13.128 -4.004 997 HZ1 LYS 125 HZ1 LYS 125 -6.455 13.483 -4.392 998 HZ2 LYS 125 HZ2 LYS 125 -6.820 12.912 -2.843 999 HZ3 LYS 125 HZ3 LYS 125 -6.148 11.868 -3.992 1000 H ARG 126 HN ARG 126 -6.102 8.481 0.684 1001 HA ARG 126 HA ARG 126 -8.179 6.846 -0.428 1002 HB2 ARG 126 HB2 ARG 126 -6.284 5.530 -1.122 1003 HB3 ARG 126 HB1 ARG 126 -5.623 5.546 0.502 1004 HG2 ARG 126 HG2 ARG 126 -8.193 4.490 0.770 1005 HG3 ARG 126 HG1 ARG 126 -7.528 3.750 -0.687 1006 HD2 ARG 126 HD2 ARG 126 -5.712 3.896 1.629 1007 HD3 ARG 126 HD1 ARG 126 -7.096 2.820 1.807 1008 HE ARG 126 HE ARG 126 -5.575 2.517 -0.640 1009 HH11 ARG 126 HH11 ARG 126 -6.075 1.429 2.641 1010 HH12 ARG 126 HH12 ARG 126 -5.325 -0.108 2.376 1011 HH21 ARG 126 HH21 ARG 126 -4.585 0.497 -0.986 1012 HH22 ARG 126 HH22 ARG 126 -4.476 -0.636 0.319 1013 H ILE 127 HN ILE 127 -9.720 6.701 1.008 1014 HA ILE 127 HA ILE 127 -9.153 7.099 3.843 1015 HB ILE 127 HB ILE 127 -11.923 6.564 2.876 1016 HG12 ILE 127 HG12 ILE 127 -10.953 8.133 1.195 1017 HG13 ILE 127 HG11 ILE 127 -12.268 8.836 2.129 1018 HG21 ILE 127 HG21 ILE 127 -10.973 8.687 4.770 1019 HG22 ILE 127 HG22 ILE 127 -11.196 7.012 5.275 1020 HG23 ILE 127 HG23 ILE 127 -12.565 7.937 4.660 1021 HD11 ILE 127 HD11 ILE 127 -10.171 10.229 1.662 1022 HD12 ILE 127 HD12 ILE 127 -9.428 9.258 2.934 1023 HD13 ILE 127 HD13 ILE 127 -10.851 10.238 3.289 1024 H PHE 128 HN PHE 128 -9.569 5.498 5.397 1025 HA PHE 128 HA PHE 128 -10.246 2.852 4.301 1026 HB2 PHE 128 HB2 PHE 128 -7.942 2.663 4.553 1027 HB3 PHE 128 HB1 PHE 128 -7.919 3.670 5.998 1028 HD1 PHE 128 HD1 PHE 128 -8.586 0.346 4.662 1029 HD2 PHE 128 HD2 PHE 128 -8.378 2.736 8.169 1030 HE1 PHE 128 HE1 PHE 128 -8.664 -1.657 6.034 1031 HE2 PHE 128 HE2 PHE 128 -8.434 0.706 9.553 1032 HZ PHE 128 HZ PHE 128 -8.589 -1.499 8.487 1033 H LYS 129 HN LYS 129 -11.058 1.296 5.739 1034 HA LYS 129 HA LYS 129 -11.902 2.155 8.386 1035 HB2 LYS 129 HB2 LYS 129 -14.198 1.120 7.911 1036 HB3 LYS 129 HB1 LYS 129 -13.887 2.744 7.315 1037 HG2 LYS 129 HG2 LYS 129 -14.711 1.950 5.427 1038 HG3 LYS 129 HG1 LYS 129 -13.103 1.278 5.193 1039 HD2 LYS 129 HD2 LYS 129 -14.580 -0.505 4.787 1040 HD3 LYS 129 HD1 LYS 129 -13.965 -0.779 6.418 1041 HE2 LYS 129 HE2 LYS 129 -16.098 -0.955 7.046 1042 HE3 LYS 129 HE1 LYS 129 -16.194 0.792 6.831 1043 HZ1 LYS 129 HZ1 LYS 129 -17.265 -1.341 5.177 1044 HZ2 LYS 129 HZ2 LYS 129 -16.600 -0.033 4.338 1045 HZ3 LYS 129 HZ3 LYS 129 -17.853 0.223 5.444 1046 H LYS 130 HN LYS 130 -12.705 0.284 9.664 1047 HA LYS 130 HA LYS 130 -11.314 -2.149 8.769 1048 HB2 LYS 130 HB2 LYS 130 -12.062 -1.612 11.621 1049 HB3 LYS 130 HB1 LYS 130 -10.819 -2.679 10.983 1050 HG2 LYS 130 HG2 LYS 130 -9.449 -0.805 10.367 1051 HG3 LYS 130 HG1 LYS 130 -10.724 0.325 10.825 1052 HD2 LYS 130 HD2 LYS 130 -10.544 -0.825 13.151 1053 HD3 LYS 130 HD1 LYS 130 -8.966 -1.358 12.567 1054 HE2 LYS 130 HE2 LYS 130 -9.637 1.506 12.224 1055 HE3 LYS 130 HE1 LYS 130 -9.331 0.947 13.868 1056 HZ1 LYS 130 HZ1 LYS 130 -7.203 0.032 13.070 1057 HZ2 LYS 130 HZ2 LYS 130 -7.295 1.712 12.895 1058 HZ3 LYS 130 HZ3 LYS 130 -7.494 0.710 11.547 1059 H ASP 131 HN ASP 131 -12.213 -4.188 9.158 1060 HA ASP 131 HA ASP 131 -14.997 -4.358 8.663 1061 HB2 ASP 131 HB2 ASP 131 -13.006 -6.003 8.114 1062 HB3 ASP 131 HB1 ASP 131 -13.445 -6.710 9.665 1063 H2 KTR 201 H6 KET 1 -1.596 1.261 -4.751 1064 H3 KTR 201 H31 KET 1 2.179 -1.167 -2.080 1065 H4 KTR 201 H32 KET 1 2.880 -0.143 -3.343 1066 H5 KTR 201 H21 KET 1 1.326 0.605 -0.948 1067 H6 KTR 201 H22 KET 1 2.678 1.442 -1.733 1068 H7 KTR 201 H1 KET 1 0.150 2.277 -2.185 1069 H8 KTR 201 H11 KET 1 1.974 -1.529 -6.442 1070 H9 KTR 201 H13 KET 1 2.565 -2.315 -8.705 1071 H10 KTR 201 H15 KET 1 1.902 -4.581 -9.438 1072 H11 KTR 201 H14 KET 1 0.646 -6.055 -7.901 1073 H12 KTR 201 H12 KET 1 0.056 -5.260 -5.642 1074 H13 KTR 201 H7 KET 1 -1.555 -1.293 -5.555 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -3.508 0.370 18.315 2 H2 ALA 1 HT2 ALA 1 -3.144 0.778 16.688 3 H3 ALA 1 HT3 ALA 1 -2.238 -0.437 17.494 4 HA ALA 1 HA ALA 1 -3.924 -1.935 17.446 5 HB1 ALA 1 HB1 ALA 1 -5.623 0.486 17.244 6 HB2 ALA 1 HB2 ALA 1 -5.826 -0.965 18.226 7 HB3 ALA 1 HB3 ALA 1 -6.229 -0.998 16.509 8 H PHE 2 HN PHE 2 -1.991 -1.079 15.563 9 HA PHE 2 HA PHE 2 -3.137 -0.829 12.968 10 HB2 PHE 2 HB2 PHE 2 -0.435 -1.072 14.110 11 HB3 PHE 2 HB1 PHE 2 -0.610 -1.764 12.500 12 HD1 PHE 2 HD2 PHE 2 -2.512 0.032 11.229 13 HD2 PHE 2 HD1 PHE 2 0.729 0.904 13.843 14 HE1 PHE 2 HE2 PHE 2 -2.328 2.280 10.242 15 HE2 PHE 2 HE1 PHE 2 0.920 3.153 12.862 16 HZ PHE 2 HZ PHE 2 -0.609 3.842 11.058 17 H ASP 3 HN ASP 3 -1.451 -3.532 14.581 18 HA ASP 3 HA ASP 3 -1.776 -5.459 12.622 19 HB2 ASP 3 HB2 ASP 3 -0.381 -5.805 14.600 20 HB3 ASP 3 HB1 ASP 3 -1.810 -5.825 15.627 21 H SER 4 HN SER 4 -3.670 -5.779 11.600 22 HA SER 4 HA SER 4 -5.751 -7.224 12.757 23 HB2 SER 4 HB2 SER 4 -5.921 -4.641 13.645 24 HB3 SER 4 HB1 SER 4 -6.944 -4.583 12.211 25 HG SER 4 HG SER 4 -7.206 -6.250 14.483 26 H THR 5 HN THR 5 -7.894 -6.848 11.330 27 HA THR 5 HA THR 5 -7.004 -7.150 8.572 28 HB THR 5 HB THR 5 -9.728 -7.552 9.836 29 HG1 THR 5 HG1 THR 5 -9.102 -9.520 10.188 30 HG21 THR 5 HG21 THR 5 -9.285 -7.141 7.187 31 HG22 THR 5 HG22 THR 5 -10.619 -8.075 7.866 32 HG23 THR 5 HG23 THR 5 -9.159 -8.896 7.312 33 H TRP 6 HN TRP 6 -6.956 -5.413 7.278 34 HA TRP 6 HA TRP 6 -8.831 -3.227 7.873 35 HB2 TRP 6 HB2 TRP 6 -6.058 -3.158 6.719 36 HB3 TRP 6 HB1 TRP 6 -7.105 -1.785 6.671 37 HD1 TRP 6 HD1 TRP 6 -6.931 -4.054 9.745 38 HE1 TRP 6 HE1 TRP 6 -5.968 -2.710 11.710 39 HE3 TRP 6 HE3 TRP 6 -5.618 0.199 7.237 40 HZ2 TRP 6 HZ2 TRP 6 -4.804 -0.186 12.145 41 HZ3 TRP 6 HZ3 TRP 6 -4.580 2.031 8.508 42 HH2 TRP 6 HH2 TRP 6 -4.181 1.846 10.908 43 H LYS 7 HN LYS 7 -10.217 -2.596 6.415 44 HA LYS 7 HA LYS 7 -9.938 -3.603 3.663 45 HB2 LYS 7 HB2 LYS 7 -12.393 -3.648 3.521 46 HB3 LYS 7 HB1 LYS 7 -11.805 -4.701 4.800 47 HG2 LYS 7 HG2 LYS 7 -12.451 -3.145 6.483 48 HG3 LYS 7 HG1 LYS 7 -12.810 -1.908 5.278 49 HD2 LYS 7 HD2 LYS 7 -14.393 -3.955 4.437 50 HD3 LYS 7 HD1 LYS 7 -14.423 -4.186 6.187 51 HE2 LYS 7 HE2 LYS 7 -15.604 -2.300 6.546 52 HE3 LYS 7 HE1 LYS 7 -14.759 -1.408 5.281 53 HZ1 LYS 7 HZ1 LYS 7 -16.937 -3.386 4.869 54 HZ2 LYS 7 HZ2 LYS 7 -16.101 -2.590 3.633 55 HZ3 LYS 7 HZ3 LYS 7 -17.068 -1.707 4.704 56 H VAL 8 HN VAL 8 -9.726 -2.141 2.169 57 HA VAL 8 HA VAL 8 -9.824 0.632 2.796 58 HB VAL 8 HB VAL 8 -8.312 -0.625 1.099 59 HG11 VAL 8 HG11 VAL 8 -9.111 -0.432 -1.241 60 HG12 VAL 8 HG12 VAL 8 -10.712 -0.011 -0.639 61 HG13 VAL 8 HG13 VAL 8 -10.030 -1.601 -0.295 62 HG21 VAL 8 HG21 VAL 8 -9.105 2.047 1.428 63 HG22 VAL 8 HG22 VAL 8 -8.996 1.771 -0.311 64 HG23 VAL 8 HG23 VAL 8 -7.608 1.436 0.725 65 H ASP 9 HN ASP 9 -11.400 2.084 2.498 66 HA ASP 9 HA ASP 9 -13.977 1.122 1.561 67 HB2 ASP 9 HB2 ASP 9 -13.827 2.438 3.642 68 HB3 ASP 9 HB1 ASP 9 -13.212 3.809 2.723 69 H ARG 10 HN ARG 10 -12.032 4.055 0.940 70 HA ARG 10 HA ARG 10 -12.792 3.861 -1.885 71 HB2 ARG 10 HB2 ARG 10 -13.461 6.140 -2.032 72 HB3 ARG 10 HB1 ARG 10 -14.329 5.453 -0.670 73 HG2 ARG 10 HG2 ARG 10 -13.367 6.831 0.795 74 HG3 ARG 10 HG1 ARG 10 -11.782 6.697 0.037 75 HD2 ARG 10 HD2 ARG 10 -14.078 8.378 -0.964 76 HD3 ARG 10 HD1 ARG 10 -12.671 8.979 -0.094 77 HE ARG 10 HE ARG 10 -11.339 8.559 -1.988 78 HH11 ARG 10 HH11 ARG 10 -14.707 7.803 -2.554 79 HH12 ARG 10 HH12 ARG 10 -14.544 7.821 -4.276 80 HH21 ARG 10 HH21 ARG 10 -11.135 8.578 -4.250 81 HH22 ARG 10 HH22 ARG 10 -12.521 8.258 -5.239 82 H SER 11 HN SER 11 -11.438 5.192 -3.301 83 HA SER 11 HA SER 11 -8.911 6.053 -2.131 84 HB2 SER 11 HB2 SER 11 -9.067 3.548 -3.285 85 HB3 SER 11 HB1 SER 11 -8.465 4.544 -4.599 86 HG SER 11 HG SER 11 -7.276 3.881 -2.182 87 H GLU 12 HN GLU 12 -7.992 7.728 -3.130 88 HA GLU 12 HA GLU 12 -9.257 8.694 -5.607 89 HB2 GLU 12 HB2 GLU 12 -8.359 10.985 -4.702 90 HB3 GLU 12 HB1 GLU 12 -9.876 10.335 -4.096 91 HG2 GLU 12 HG2 GLU 12 -8.736 9.479 -2.125 92 HG3 GLU 12 HG1 GLU 12 -7.203 10.095 -2.738 93 H ASN 13 HN ASN 13 -7.942 8.908 -7.293 94 HA ASN 13 HA ASN 13 -6.092 9.052 -8.576 95 HB2 ASN 13 HB2 ASN 13 -5.291 10.379 -6.087 96 HB3 ASN 13 HB1 ASN 13 -3.958 9.705 -7.005 97 HD21 ASN 13 HD21 ASN 13 -3.443 12.055 -7.097 98 HD22 ASN 13 HD22 ASN 13 -4.100 12.961 -8.414 99 H TYR 14 HN TYR 14 -6.708 6.737 -6.452 100 HA TYR 14 HA TYR 14 -4.302 5.408 -5.988 101 HB2 TYR 14 HB2 TYR 14 -6.561 4.819 -5.020 102 HB3 TYR 14 HB1 TYR 14 -6.972 4.064 -6.544 103 HD1 TYR 14 HD1 TYR 14 -3.910 3.031 -6.771 104 HD2 TYR 14 HD2 TYR 14 -7.007 2.668 -3.896 105 HE1 TYR 14 HE1 TYR 14 -2.908 0.947 -5.971 106 HE2 TYR 14 HE2 TYR 14 -6.008 0.589 -3.073 107 HH TYR 14 HH TYR 14 -3.165 -0.326 -3.354 108 H ASP 15 HN ASP 15 -6.527 5.292 -8.747 109 HA ASP 15 HA ASP 15 -5.174 3.406 -10.311 110 HB2 ASP 15 HB2 ASP 15 -7.456 4.685 -10.679 111 HB3 ASP 15 HB1 ASP 15 -6.443 5.797 -11.596 112 H LYS 16 HN LYS 16 -4.660 6.824 -9.796 113 HA LYS 16 HA LYS 16 -2.904 7.560 -11.776 114 HB2 LYS 16 HB2 LYS 16 -3.860 8.764 -9.594 115 HB3 LYS 16 HB1 LYS 16 -2.272 8.352 -8.971 116 HG2 LYS 16 HG2 LYS 16 -1.530 10.217 -9.877 117 HG3 LYS 16 HG1 LYS 16 -1.782 9.484 -11.456 118 HD2 LYS 16 HD2 LYS 16 -4.255 10.286 -11.053 119 HD3 LYS 16 HD1 LYS 16 -3.467 11.417 -9.949 120 HE2 LYS 16 HE2 LYS 16 -1.887 11.666 -12.129 121 HE3 LYS 16 HE1 LYS 16 -3.432 11.301 -12.895 122 HZ1 LYS 16 HZ1 LYS 16 -4.259 13.124 -11.223 123 HZ2 LYS 16 HZ2 LYS 16 -3.585 13.551 -12.714 124 HZ3 LYS 16 HZ3 LYS 16 -2.647 13.633 -11.309 125 H PHE 17 HN PHE 17 -2.251 5.734 -8.846 126 HA PHE 17 HA PHE 17 0.571 5.656 -9.284 127 HB2 PHE 17 HB2 PHE 17 -1.304 4.252 -7.391 128 HB3 PHE 17 HB1 PHE 17 0.415 3.838 -7.459 129 HD1 PHE 17 HD1 PHE 17 -1.325 7.077 -7.852 130 HD2 PHE 17 HD2 PHE 17 1.392 4.738 -5.521 131 HE1 PHE 17 HE1 PHE 17 -0.799 9.060 -6.532 132 HE2 PHE 17 HE2 PHE 17 1.925 6.742 -4.178 133 HZ PHE 17 HZ PHE 17 0.834 8.897 -4.685 134 H MET 18 HN MET 18 -2.145 3.619 -10.058 135 HA MET 18 HA MET 18 -0.618 1.432 -11.051 136 HB2 MET 18 HB2 MET 18 -3.475 2.337 -11.442 137 HB3 MET 18 HB1 MET 18 -2.830 0.893 -12.204 138 HG2 MET 18 HG2 MET 18 -4.142 0.522 -10.112 139 HG3 MET 18 HG1 MET 18 -2.538 -0.181 -10.136 140 HE1 MET 18 HE1 MET 18 -0.768 1.240 -7.213 141 HE2 MET 18 HE2 MET 18 -0.373 1.290 -8.930 142 HE3 MET 18 HE3 MET 18 -1.108 -0.155 -8.237 143 H GLU 19 HN GLU 19 -1.546 4.547 -12.155 144 HA GLU 19 HA GLU 19 -1.249 4.021 -14.929 145 HB2 GLU 19 HB2 GLU 19 -2.588 5.783 -15.035 146 HB3 GLU 19 HB1 GLU 19 -2.584 5.834 -13.299 147 HG2 GLU 19 HG2 GLU 19 -0.864 7.399 -13.266 148 HG3 GLU 19 HG1 GLU 19 -0.544 7.214 -14.969 149 H LYS 20 HN LYS 20 0.417 6.269 -12.701 150 HA LYS 20 HA LYS 20 2.473 6.907 -14.521 151 HB2 LYS 20 HB2 LYS 20 1.938 8.345 -12.647 152 HB3 LYS 20 HB1 LYS 20 2.446 7.100 -11.515 153 HG2 LYS 20 HG2 LYS 20 4.440 8.051 -11.538 154 HG3 LYS 20 HG1 LYS 20 4.637 7.430 -13.168 155 HD2 LYS 20 HD2 LYS 20 3.397 9.603 -13.869 156 HD3 LYS 20 HD1 LYS 20 3.867 10.189 -12.266 157 HE2 LYS 20 HE2 LYS 20 5.561 10.864 -13.774 158 HE3 LYS 20 HE1 LYS 20 6.217 9.538 -12.823 159 HZ1 LYS 20 HZ1 LYS 20 4.966 9.025 -15.443 160 HZ2 LYS 20 HZ2 LYS 20 6.106 8.095 -14.609 161 HZ3 LYS 20 HZ3 LYS 20 6.575 9.541 -15.350 162 H MET 21 HN MET 21 2.235 4.461 -11.995 163 HA MET 21 HA MET 21 4.954 3.574 -12.447 164 HB2 MET 21 HB2 MET 21 2.792 2.306 -10.758 165 HB3 MET 21 HB1 MET 21 4.507 1.924 -10.719 166 HG2 MET 21 HG2 MET 21 5.022 3.720 -9.466 167 HG3 MET 21 HG1 MET 21 3.811 4.742 -10.237 168 HE1 MET 21 HE1 MET 21 3.021 1.503 -7.176 169 HE2 MET 21 HE2 MET 21 3.722 1.352 -8.787 170 HE3 MET 21 HE3 MET 21 1.970 1.374 -8.586 171 H GLY 22 HN GLY 22 1.843 2.912 -13.734 172 HA2 GLY 22 HA2 GLY 22 1.190 1.448 -15.386 173 HA3 GLY 22 HA1 GLY 22 2.889 1.043 -15.607 174 H VAL 23 HN VAL 23 0.440 0.643 -13.062 175 HA VAL 23 HA VAL 23 1.552 -1.921 -12.323 176 HB VAL 23 HB VAL 23 -0.848 -0.399 -11.300 177 HG11 VAL 23 HG11 VAL 23 -1.387 -2.651 -10.865 178 HG12 VAL 23 HG12 VAL 23 -0.694 -2.030 -9.364 179 HG13 VAL 23 HG13 VAL 23 0.277 -3.047 -10.432 180 HG21 VAL 23 HG21 VAL 23 1.039 0.748 -10.586 181 HG22 VAL 23 HG22 VAL 23 1.989 -0.725 -10.413 182 HG23 VAL 23 HG23 VAL 23 0.727 -0.350 -9.242 183 H ASN 24 HN ASN 24 0.883 -3.878 -12.932 184 HA ASN 24 HA ASN 24 -0.559 -4.406 -15.166 185 HB2 ASN 24 HB2 ASN 24 0.739 -6.119 -14.103 186 HB3 ASN 24 HB1 ASN 24 -0.312 -6.129 -12.695 187 HD21 ASN 24 HD21 ASN 24 -0.924 -8.229 -12.816 188 HD22 ASN 24 HD22 ASN 24 -1.858 -8.888 -14.109 189 H ILE 25 HN ILE 25 -2.638 -5.484 -15.465 190 HA ILE 25 HA ILE 25 -4.714 -3.953 -14.142 191 HB ILE 25 HB ILE 25 -4.714 -4.223 -16.591 192 HG12 ILE 25 HG12 ILE 25 -7.070 -4.511 -16.804 193 HG13 ILE 25 HG11 ILE 25 -7.149 -5.526 -15.372 194 HG21 ILE 25 HG21 ILE 25 -3.888 -6.571 -16.589 195 HG22 ILE 25 HG22 ILE 25 -5.285 -6.301 -17.631 196 HG23 ILE 25 HG23 ILE 25 -5.492 -7.084 -16.065 197 HD11 ILE 25 HD11 ILE 25 -7.910 -3.027 -15.307 198 HD12 ILE 25 HD12 ILE 25 -6.184 -2.726 -15.102 199 HD13 ILE 25 HD13 ILE 25 -7.046 -3.741 -13.946 200 H VAL 26 HN VAL 26 -3.932 -7.390 -14.600 201 HA VAL 26 HA VAL 26 -6.114 -8.540 -13.378 202 HB VAL 26 HB VAL 26 -3.304 -9.570 -13.030 203 HG11 VAL 26 HG11 VAL 26 -4.668 -10.935 -11.763 204 HG12 VAL 26 HG12 VAL 26 -4.670 -11.765 -13.319 205 HG13 VAL 26 HG13 VAL 26 -6.040 -10.755 -12.857 206 HG21 VAL 26 HG21 VAL 26 -4.662 -10.772 -15.237 207 HG22 VAL 26 HG22 VAL 26 -3.133 -9.895 -15.223 208 HG23 VAL 26 HG23 VAL 26 -4.647 -9.022 -15.456 209 H LYS 27 HN LYS 27 -3.098 -7.498 -11.787 210 HA LYS 27 HA LYS 27 -4.088 -8.154 -9.173 211 HB2 LYS 27 HB2 LYS 27 -1.727 -6.401 -9.863 212 HB3 LYS 27 HB1 LYS 27 -2.023 -7.237 -8.345 213 HG2 LYS 27 HG2 LYS 27 -1.663 -9.368 -9.371 214 HG3 LYS 27 HG1 LYS 27 -1.574 -8.632 -10.972 215 HD2 LYS 27 HD2 LYS 27 0.639 -8.573 -10.663 216 HD3 LYS 27 HD1 LYS 27 0.333 -7.252 -9.533 217 HE2 LYS 27 HE2 LYS 27 0.236 -10.122 -8.662 218 HE3 LYS 27 HE1 LYS 27 1.756 -9.231 -8.727 219 HZ1 LYS 27 HZ1 LYS 27 -0.433 -7.912 -7.346 220 HZ2 LYS 27 HZ2 LYS 27 1.208 -7.996 -6.944 221 HZ3 LYS 27 HZ3 LYS 27 0.184 -9.294 -6.588 222 H ARG 28 HN ARG 28 -3.940 -5.317 -11.193 223 HA ARG 28 HA ARG 28 -4.612 -3.431 -9.158 224 HB2 ARG 28 HB2 ARG 28 -3.421 -2.802 -11.195 225 HB3 ARG 28 HB1 ARG 28 -4.807 -3.251 -12.171 226 HG2 ARG 28 HG2 ARG 28 -5.131 -1.213 -10.037 227 HG3 ARG 28 HG1 ARG 28 -4.293 -0.774 -11.526 228 HD2 ARG 28 HD2 ARG 28 -6.887 -2.197 -11.712 229 HD3 ARG 28 HD1 ARG 28 -6.870 -0.498 -11.279 230 HE ARG 28 HE ARG 28 -5.309 -1.105 -13.608 231 HH11 ARG 28 HH11 ARG 28 -8.495 -0.305 -12.430 232 HH12 ARG 28 HH12 ARG 28 -9.031 0.337 -13.946 233 HH21 ARG 28 HH21 ARG 28 -6.012 -0.261 -15.603 234 HH22 ARG 28 HH22 ARG 28 -7.621 0.362 -15.748 235 H LYS 29 HN LYS 29 -6.420 -5.635 -11.092 236 HA LYS 29 HA LYS 29 -8.858 -4.520 -11.483 237 HB2 LYS 29 HB2 LYS 29 -7.799 -7.141 -11.319 238 HB3 LYS 29 HB1 LYS 29 -9.283 -7.129 -10.377 239 HG2 LYS 29 HG2 LYS 29 -9.746 -7.785 -12.636 240 HG3 LYS 29 HG1 LYS 29 -10.483 -6.216 -12.317 241 HD2 LYS 29 HD2 LYS 29 -8.868 -5.083 -13.593 242 HD3 LYS 29 HD1 LYS 29 -7.775 -6.468 -13.587 243 HE2 LYS 29 HE2 LYS 29 -8.598 -6.871 -15.631 244 HE3 LYS 29 HE1 LYS 29 -9.986 -7.528 -14.765 245 HZ1 LYS 29 HZ1 LYS 29 -10.878 -6.038 -16.302 246 HZ2 LYS 29 HZ2 LYS 29 -9.698 -4.862 -16.011 247 HZ3 LYS 29 HZ3 LYS 29 -10.888 -5.171 -14.849 248 H LEU 30 HN LEU 30 -7.984 -6.280 -8.504 249 HA LEU 30 HA LEU 30 -10.262 -5.052 -7.149 250 HB2 LEU 30 HB2 LEU 30 -8.505 -6.868 -5.634 251 HB3 LEU 30 HB1 LEU 30 -10.254 -6.826 -5.743 252 HG LEU 30 HG LEU 30 -8.397 -8.030 -7.798 253 HD11 LEU 30 HD11 LEU 30 -10.008 -9.171 -5.558 254 HD12 LEU 30 HD12 LEU 30 -8.361 -9.548 -6.064 255 HD13 LEU 30 HD13 LEU 30 -9.728 -10.117 -7.020 256 HD21 LEU 30 HD21 LEU 30 -10.720 -6.960 -8.436 257 HD22 LEU 30 HD22 LEU 30 -11.337 -8.472 -7.770 258 HD23 LEU 30 HD23 LEU 30 -10.201 -8.501 -9.118 259 H ALA 31 HN ALA 31 -6.784 -5.052 -7.186 260 HA ALA 31 HA ALA 31 -6.372 -3.678 -4.744 261 HB1 ALA 31 HB1 ALA 31 -4.577 -3.826 -7.160 262 HB2 ALA 31 HB2 ALA 31 -4.632 -5.004 -5.848 263 HB3 ALA 31 HB3 ALA 31 -4.099 -3.354 -5.528 264 H ALA 32 HN ALA 32 -7.567 -2.601 -7.754 265 HA ALA 32 HA ALA 32 -6.478 -0.071 -8.009 266 HB1 ALA 32 HB1 ALA 32 -9.280 -0.954 -8.654 267 HB2 ALA 32 HB2 ALA 32 -7.878 -1.007 -9.721 268 HB3 ALA 32 HB3 ALA 32 -8.535 0.545 -9.207 269 H HIS 33 HN HIS 33 -9.341 -0.972 -6.046 270 HA HIS 33 HA HIS 33 -8.942 0.705 -3.950 271 HB2 HIS 33 HB2 HIS 33 -10.476 2.671 -4.558 272 HB3 HIS 33 HB1 HIS 33 -8.839 2.680 -5.200 273 HD1 HIS 33 HD1 HIS 33 -8.701 3.206 -7.609 274 HD2 HIS 33 HD2 HIS 33 -12.367 1.533 -6.599 275 HE1 HIS 33 HE1 HIS 33 -10.055 3.226 -9.728 276 HE2 HIS 33 HE2 HIS 33 -12.300 2.290 -9.072 277 H ASP 34 HN ASP 34 -11.417 -0.315 -6.240 278 HA ASP 34 HA ASP 34 -13.602 -0.089 -4.477 279 HB2 ASP 34 HB2 ASP 34 -13.767 -0.242 -6.961 280 HB3 ASP 34 HB1 ASP 34 -13.355 -1.950 -6.843 281 H ASN 35 HN ASN 35 -11.714 -2.978 -5.408 282 HA ASN 35 HA ASN 35 -12.770 -4.258 -2.995 283 HB2 ASN 35 HB2 ASN 35 -11.919 -6.263 -4.832 284 HB3 ASN 35 HB1 ASN 35 -13.537 -5.962 -4.212 285 HD21 ASN 35 HD21 ASN 35 -12.006 -6.491 -6.937 286 HD22 ASN 35 HD22 ASN 35 -12.904 -5.504 -8.034 287 H LEU 36 HN LEU 36 -10.919 -3.405 -1.874 288 HA LEU 36 HA LEU 36 -8.579 -5.132 -2.242 289 HB2 LEU 36 HB2 LEU 36 -7.964 -3.031 -3.245 290 HB3 LEU 36 HB1 LEU 36 -8.531 -2.146 -1.844 291 HG LEU 36 HG LEU 36 -6.720 -3.491 -0.553 292 HD11 LEU 36 HD11 LEU 36 -6.378 -4.809 -2.838 293 HD12 LEU 36 HD12 LEU 36 -5.063 -4.538 -1.694 294 HD13 LEU 36 HD13 LEU 36 -5.228 -3.500 -3.111 295 HD21 LEU 36 HD21 LEU 36 -5.005 -1.771 -1.803 296 HD22 LEU 36 HD22 LEU 36 -6.114 -1.337 -0.503 297 HD23 LEU 36 HD23 LEU 36 -6.577 -1.067 -2.182 298 H LYS 37 HN LYS 37 -7.605 -5.814 -0.395 299 HA LYS 37 HA LYS 37 -8.680 -4.828 2.162 300 HB2 LYS 37 HB2 LYS 37 -9.416 -7.220 1.197 301 HB3 LYS 37 HB1 LYS 37 -7.903 -7.690 1.960 302 HG2 LYS 37 HG2 LYS 37 -9.970 -6.117 3.451 303 HG3 LYS 37 HG1 LYS 37 -10.063 -7.875 3.321 304 HD2 LYS 37 HD2 LYS 37 -7.467 -6.706 4.152 305 HD3 LYS 37 HD1 LYS 37 -8.791 -6.648 5.318 306 HE2 LYS 37 HE2 LYS 37 -7.612 -9.082 3.992 307 HE3 LYS 37 HE1 LYS 37 -7.558 -8.659 5.702 308 HZ1 LYS 37 HZ1 LYS 37 -9.267 -10.147 5.684 309 HZ2 LYS 37 HZ2 LYS 37 -9.778 -9.740 4.124 310 HZ3 LYS 37 HZ3 LYS 37 -10.144 -8.723 5.425 311 H LEU 38 HN LEU 38 -7.142 -4.016 3.328 312 HA LEU 38 HA LEU 38 -4.383 -4.925 2.932 313 HB2 LEU 38 HB2 LEU 38 -5.293 -2.445 2.720 314 HB3 LEU 38 HB1 LEU 38 -5.124 -2.452 4.455 315 HG LEU 38 HG LEU 38 -2.816 -2.454 4.375 316 HD11 LEU 38 HD11 LEU 38 -3.123 -3.937 1.800 317 HD12 LEU 38 HD12 LEU 38 -2.184 -4.355 3.233 318 HD13 LEU 38 HD13 LEU 38 -1.615 -3.087 2.144 319 HD21 LEU 38 HD21 LEU 38 -4.090 -0.709 2.569 320 HD22 LEU 38 HD22 LEU 38 -2.598 -1.240 1.787 321 HD23 LEU 38 HD23 LEU 38 -2.541 -0.489 3.382 322 H THR 39 HN THR 39 -3.280 -5.873 4.613 323 HA THR 39 HA THR 39 -4.695 -5.986 7.197 324 HB THR 39 HB THR 39 -3.141 -8.202 5.853 325 HG1 THR 39 HG1 THR 39 -5.171 -7.992 4.959 326 HG21 THR 39 HG21 THR 39 -2.842 -8.447 8.207 327 HG22 THR 39 HG22 THR 39 -4.043 -9.622 7.672 328 HG23 THR 39 HG23 THR 39 -4.555 -8.154 8.504 329 H ILE 40 HN ILE 40 -3.340 -6.478 9.062 330 HA ILE 40 HA ILE 40 -0.527 -5.707 8.767 331 HB ILE 40 HB ILE 40 -2.351 -4.500 10.850 332 HG12 ILE 40 HG12 ILE 40 -1.136 -3.140 8.437 333 HG13 ILE 40 HG11 ILE 40 -2.799 -3.717 8.501 334 HG21 ILE 40 HG21 ILE 40 -0.249 -2.915 10.906 335 HG22 ILE 40 HG22 ILE 40 0.566 -4.346 10.275 336 HG23 ILE 40 HG23 ILE 40 -0.278 -4.422 11.821 337 HD11 ILE 40 HD11 ILE 40 -2.555 -1.297 8.936 338 HD12 ILE 40 HD12 ILE 40 -1.635 -1.688 10.390 339 HD13 ILE 40 HD13 ILE 40 -3.324 -2.178 10.255 340 H THR 41 HN THR 41 0.853 -6.545 10.338 341 HA THR 41 HA THR 41 -0.341 -8.269 12.390 342 HB THR 41 HB THR 41 2.020 -9.195 10.772 343 HG1 THR 41 HG1 THR 41 -0.732 -9.540 10.235 344 HG21 THR 41 HG21 THR 41 1.166 -11.433 11.459 345 HG22 THR 41 HG22 THR 41 0.027 -10.605 12.522 346 HG23 THR 41 HG23 THR 41 1.763 -10.431 12.781 347 H GLN 42 HN GLN 42 1.269 -8.959 14.041 348 HA GLN 42 HA GLN 42 3.337 -6.890 14.407 349 HB2 GLN 42 HB2 GLN 42 2.941 -6.982 16.796 350 HB3 GLN 42 HB1 GLN 42 1.433 -6.635 15.961 351 HG2 GLN 42 HG2 GLN 42 0.941 -9.116 16.125 352 HG3 GLN 42 HG1 GLN 42 2.297 -9.204 17.247 353 HE21 GLN 42 HE21 GLN 42 -0.382 -6.928 16.746 354 HE22 GLN 42 HE22 GLN 42 -0.930 -6.946 18.384 355 H GLU 43 HN GLU 43 5.348 -7.608 14.537 356 HA GLU 43 HA GLU 43 6.014 -10.073 15.862 357 HB2 GLU 43 HB2 GLU 43 5.994 -9.861 12.897 358 HB3 GLU 43 HB1 GLU 43 7.366 -10.676 13.634 359 HG2 GLU 43 HG2 GLU 43 4.463 -11.408 13.915 360 HG3 GLU 43 HG1 GLU 43 5.706 -12.296 13.035 361 H GLY 44 HN GLY 44 7.310 -8.806 17.179 362 HA2 GLY 44 HA2 GLY 44 9.238 -7.736 17.826 363 HA3 GLY 44 HA1 GLY 44 9.961 -8.395 16.368 364 H ASN 45 HN ASN 45 11.094 -6.625 15.637 365 HA ASN 45 HA ASN 45 9.827 -4.024 15.563 366 HB2 ASN 45 HB2 ASN 45 12.112 -3.728 14.074 367 HB3 ASN 45 HB1 ASN 45 11.990 -3.471 15.805 368 HD21 ASN 45 HD21 ASN 45 12.452 -6.132 13.507 369 HD22 ASN 45 HD22 ASN 45 13.684 -6.931 14.417 370 H LYS 46 HN LYS 46 9.319 -6.631 13.770 371 HA LYS 46 HA LYS 46 8.982 -5.051 11.318 372 HB2 LYS 46 HB2 LYS 46 9.812 -6.697 9.996 373 HB3 LYS 46 HB1 LYS 46 10.692 -7.095 11.459 374 HG2 LYS 46 HG2 LYS 46 9.930 -9.159 11.002 375 HG3 LYS 46 HG1 LYS 46 8.496 -8.586 11.851 376 HD2 LYS 46 HD2 LYS 46 7.805 -9.643 9.816 377 HD3 LYS 46 HD1 LYS 46 7.556 -7.906 9.647 378 HE2 LYS 46 HE2 LYS 46 8.536 -8.522 7.621 379 HE3 LYS 46 HE1 LYS 46 9.884 -7.885 8.557 380 HZ1 LYS 46 HZ1 LYS 46 10.850 -9.899 8.715 381 HZ2 LYS 46 HZ2 LYS 46 9.971 -10.212 7.304 382 HZ3 LYS 46 HZ3 LYS 46 9.383 -10.739 8.800 383 H PHE 47 HN PHE 47 7.124 -5.268 10.149 384 HA PHE 47 HA PHE 47 4.911 -6.629 11.537 385 HB2 PHE 47 HB2 PHE 47 5.075 -4.105 9.922 386 HB3 PHE 47 HB1 PHE 47 3.549 -4.962 10.064 387 HD1 PHE 47 HD2 PHE 47 5.735 -5.162 12.930 388 HD2 PHE 47 HD1 PHE 47 2.689 -2.843 11.076 389 HE1 PHE 47 HE2 PHE 47 5.329 -4.006 15.058 390 HE2 PHE 47 HE1 PHE 47 2.283 -1.678 13.203 391 HZ PHE 47 HZ PHE 47 3.598 -2.261 15.198 392 H THR 48 HN THR 48 3.111 -7.323 10.058 393 HA THR 48 HA THR 48 4.160 -8.258 7.467 394 HB THR 48 HB THR 48 2.132 -9.878 8.951 395 HG1 THR 48 HG1 THR 48 3.760 -10.951 10.046 396 HG21 THR 48 HG21 THR 48 2.451 -11.135 7.153 397 HG22 THR 48 HG22 THR 48 4.008 -11.556 7.864 398 HG23 THR 48 HG23 THR 48 3.902 -10.249 6.685 399 H VAL 49 HN VAL 49 3.016 -7.447 5.821 400 HA VAL 49 HA VAL 49 0.249 -6.603 6.341 401 HB VAL 49 HB VAL 49 1.027 -5.672 3.784 402 HG11 VAL 49 HG11 VAL 49 -0.511 -4.416 4.969 403 HG12 VAL 49 HG12 VAL 49 0.949 -3.431 5.072 404 HG13 VAL 49 HG13 VAL 49 0.458 -4.427 6.443 405 HG21 VAL 49 HG21 VAL 49 2.926 -4.124 4.700 406 HG22 VAL 49 HG22 VAL 49 3.304 -5.724 4.069 407 HG23 VAL 49 HG23 VAL 49 3.211 -5.463 5.810 408 H LYS 50 HN LYS 50 -1.310 -7.842 5.623 409 HA LYS 50 HA LYS 50 -0.769 -9.658 3.373 410 HB2 LYS 50 HB2 LYS 50 -2.196 -9.953 5.902 411 HB3 LYS 50 HB1 LYS 50 -3.151 -10.484 4.525 412 HG2 LYS 50 HG2 LYS 50 -0.918 -11.733 3.895 413 HG3 LYS 50 HG1 LYS 50 -0.630 -11.593 5.630 414 HD2 LYS 50 HD2 LYS 50 -3.213 -12.663 4.531 415 HD3 LYS 50 HD1 LYS 50 -1.812 -13.702 4.793 416 HE2 LYS 50 HE2 LYS 50 -2.687 -13.965 6.847 417 HE3 LYS 50 HE1 LYS 50 -1.934 -12.403 7.165 418 HZ1 LYS 50 HZ1 LYS 50 -4.764 -12.935 6.463 419 HZ2 LYS 50 HZ2 LYS 50 -4.089 -11.384 6.448 420 HZ3 LYS 50 HZ3 LYS 50 -4.161 -12.260 7.893 421 H GLU 51 HN GLU 51 -1.638 -9.124 1.488 422 HA GLU 51 HA GLU 51 -4.006 -7.383 1.471 423 HB2 GLU 51 HB2 GLU 51 -1.682 -7.700 -0.374 424 HB3 GLU 51 HB1 GLU 51 -3.220 -7.175 -1.045 425 HG2 GLU 51 HG2 GLU 51 -3.176 -5.169 0.054 426 HG3 GLU 51 HG1 GLU 51 -2.155 -5.780 1.355 427 H SER 52 HN SER 52 -5.879 -8.350 1.032 428 HA SER 52 HA SER 52 -5.883 -10.568 -0.900 429 HB2 SER 52 HB2 SER 52 -6.173 -11.058 1.735 430 HB3 SER 52 HB1 SER 52 -7.852 -10.725 1.312 431 HG SER 52 HG SER 52 -7.810 -12.390 -0.144 432 H SER 53 HN SER 53 -7.639 -10.693 -2.253 433 HA SER 53 HA SER 53 -9.895 -8.908 -1.861 434 HB2 SER 53 HB2 SER 53 -8.119 -8.701 -4.305 435 HB3 SER 53 HB1 SER 53 -9.659 -7.869 -4.087 436 HG SER 53 HG SER 53 -7.445 -6.852 -3.483 437 H ALA 54 HN ALA 54 -11.726 -9.503 -3.020 438 HA ALA 54 HA ALA 54 -13.173 -11.154 -3.697 439 HB1 ALA 54 HB1 ALA 54 -12.754 -11.769 -6.098 440 HB2 ALA 54 HB2 ALA 54 -11.237 -10.878 -5.982 441 HB3 ALA 54 HB3 ALA 54 -12.771 -10.041 -5.748 442 H PHE 55 HN PHE 55 -10.630 -12.708 -5.530 443 HA PHE 55 HA PHE 55 -10.746 -14.998 -3.681 444 HB2 PHE 55 HB2 PHE 55 -11.187 -14.854 -6.598 445 HB3 PHE 55 HB1 PHE 55 -10.173 -16.186 -6.054 446 HD1 PHE 55 HD1 PHE 55 -11.091 -17.727 -4.259 447 HD2 PHE 55 HD2 PHE 55 -13.507 -14.964 -6.413 448 HE1 PHE 55 HE1 PHE 55 -13.099 -19.006 -3.639 449 HE2 PHE 55 HE2 PHE 55 -15.520 -16.238 -5.795 450 HZ PHE 55 HZ PHE 55 -15.317 -18.261 -4.406 451 H ARG 56 HN ARG 56 -8.792 -12.952 -5.706 452 HA ARG 56 HA ARG 56 -6.448 -14.444 -5.868 453 HB2 ARG 56 HB2 ARG 56 -7.113 -11.547 -5.982 454 HB3 ARG 56 HB1 ARG 56 -5.423 -11.982 -5.766 455 HG2 ARG 56 HG2 ARG 56 -6.959 -13.325 -7.926 456 HG3 ARG 56 HG1 ARG 56 -6.466 -11.646 -8.156 457 HD2 ARG 56 HD2 ARG 56 -4.765 -13.050 -9.079 458 HD3 ARG 56 HD1 ARG 56 -4.134 -12.327 -7.600 459 HE ARG 56 HE ARG 56 -4.008 -14.417 -6.669 460 HH11 ARG 56 HH11 ARG 56 -5.977 -14.572 -9.546 461 HH12 ARG 56 HH12 ARG 56 -6.061 -16.302 -9.546 462 HH21 ARG 56 HH21 ARG 56 -4.117 -16.692 -6.668 463 HH22 ARG 56 HH22 ARG 56 -5.006 -17.506 -7.912 464 H ASN 57 HN ASN 57 -4.341 -13.668 -4.750 465 HA ASN 57 HA ASN 57 -4.757 -13.118 -1.908 466 HB2 ASN 57 HB2 ASN 57 -3.287 -14.973 -1.247 467 HB3 ASN 57 HB1 ASN 57 -4.719 -15.562 -2.087 468 HD21 ASN 57 HD21 ASN 57 -1.795 -16.449 -1.706 469 HD22 ASN 57 HD22 ASN 57 -1.321 -16.926 -3.298 470 H ILE 58 HN ILE 58 -3.277 -11.768 -1.097 471 HA ILE 58 HA ILE 58 -0.659 -11.534 -2.375 472 HB ILE 58 HB ILE 58 -2.204 -9.030 -1.765 473 HG12 ILE 58 HG12 ILE 58 -2.003 -10.293 -4.504 474 HG13 ILE 58 HG11 ILE 58 -3.420 -10.457 -3.473 475 HG21 ILE 58 HG21 ILE 58 0.240 -8.906 -1.967 476 HG22 ILE 58 HG22 ILE 58 -0.581 -7.997 -3.236 477 HG23 ILE 58 HG23 ILE 58 0.127 -9.572 -3.596 478 HD11 ILE 58 HD11 ILE 58 -3.933 -8.719 -4.948 479 HD12 ILE 58 HD12 ILE 58 -2.336 -7.988 -4.778 480 HD13 ILE 58 HD13 ILE 58 -3.486 -7.913 -3.443 481 H GLU 59 HN GLU 59 0.943 -10.535 -1.049 482 HA GLU 59 HA GLU 59 0.427 -9.548 1.543 483 HB2 GLU 59 HB2 GLU 59 -0.168 -11.835 2.071 484 HB3 GLU 59 HB1 GLU 59 1.322 -12.429 1.354 485 HG2 GLU 59 HG2 GLU 59 2.625 -11.381 3.085 486 HG3 GLU 59 HG1 GLU 59 1.178 -10.645 3.771 487 H VAL 60 HN VAL 60 2.460 -9.239 2.803 488 HA VAL 60 HA VAL 60 4.990 -9.744 1.653 489 HB VAL 60 HB VAL 60 4.311 -8.114 -0.016 490 HG11 VAL 60 HG11 VAL 60 2.661 -6.924 1.424 491 HG12 VAL 60 HG12 VAL 60 3.714 -5.853 0.499 492 HG13 VAL 60 HG13 VAL 60 4.009 -6.110 2.217 493 HG21 VAL 60 HG21 VAL 60 6.345 -6.998 1.912 494 HG22 VAL 60 HG22 VAL 60 6.154 -6.509 0.228 495 HG23 VAL 60 HG23 VAL 60 6.654 -8.155 0.617 496 H VAL 61 HN VAL 61 5.707 -10.239 3.700 497 HA VAL 61 HA VAL 61 5.198 -8.730 6.014 498 HB VAL 61 HB VAL 61 6.213 -11.120 5.755 499 HG11 VAL 61 HG11 VAL 61 8.201 -10.406 4.505 500 HG12 VAL 61 HG12 VAL 61 8.618 -11.246 5.999 501 HG13 VAL 61 HG13 VAL 61 8.741 -9.489 5.911 502 HG21 VAL 61 HG21 VAL 61 7.581 -10.532 7.998 503 HG22 VAL 61 HG22 VAL 61 5.827 -10.695 7.932 504 HG23 VAL 61 HG23 VAL 61 6.567 -9.096 7.864 505 H PHE 62 HN PHE 62 6.682 -7.285 7.207 506 HA PHE 62 HA PHE 62 8.873 -6.147 5.678 507 HB2 PHE 62 HB2 PHE 62 6.288 -4.723 6.150 508 HB3 PHE 62 HB1 PHE 62 7.791 -3.806 6.098 509 HD1 PHE 62 HD2 PHE 62 9.358 -4.816 4.033 510 HD2 PHE 62 HD1 PHE 62 5.112 -4.586 4.195 511 HE1 PHE 62 HE2 PHE 62 9.270 -4.781 1.577 512 HE2 PHE 62 HE1 PHE 62 5.019 -4.544 1.737 513 HZ PHE 62 HZ PHE 62 7.096 -4.644 0.426 514 H GLU 63 HN GLU 63 9.994 -4.403 6.846 515 HA GLU 63 HA GLU 63 9.726 -4.667 9.760 516 HB2 GLU 63 HB2 GLU 63 11.626 -6.006 8.835 517 HB3 GLU 63 HB1 GLU 63 12.329 -4.508 8.251 518 HG2 GLU 63 HG2 GLU 63 12.436 -3.683 10.568 519 HG3 GLU 63 HG1 GLU 63 11.799 -5.230 11.124 520 H LEU 64 HN LEU 64 10.415 -2.877 11.005 521 HA LEU 64 HA LEU 64 9.901 -0.355 9.728 522 HB2 LEU 64 HB2 LEU 64 10.804 -0.943 12.545 523 HB3 LEU 64 HB1 LEU 64 10.132 0.574 11.973 524 HG LEU 64 HG LEU 64 8.709 -2.061 12.322 525 HD11 LEU 64 HD11 LEU 64 8.461 0.655 13.582 526 HD12 LEU 64 HD12 LEU 64 8.821 -0.885 14.362 527 HD13 LEU 64 HD13 LEU 64 7.208 -0.581 13.712 528 HD21 LEU 64 HD21 LEU 64 7.914 -1.175 10.249 529 HD22 LEU 64 HD22 LEU 64 7.757 0.439 10.940 530 HD23 LEU 64 HD23 LEU 64 6.696 -0.860 11.484 531 H GLY 65 HN GLY 65 11.478 0.453 8.443 532 HA2 GLY 65 HA2 GLY 65 13.475 1.764 8.345 533 HA3 GLY 65 HA1 GLY 65 14.136 0.803 9.660 534 H VAL 66 HN VAL 66 12.471 -0.786 7.101 535 HA VAL 66 HA VAL 66 15.017 -1.544 5.845 536 HB VAL 66 HB VAL 66 12.763 -3.451 6.500 537 HG11 VAL 66 HG11 VAL 66 13.629 -4.509 4.701 538 HG12 VAL 66 HG12 VAL 66 14.874 -4.999 5.850 539 HG13 VAL 66 HG13 VAL 66 15.153 -3.624 4.781 540 HG21 VAL 66 HG21 VAL 66 14.259 -4.425 8.116 541 HG22 VAL 66 HG22 VAL 66 14.095 -2.700 8.455 542 HG23 VAL 66 HG23 VAL 66 15.545 -3.309 7.655 543 H THR 67 HN THR 67 15.005 -1.736 3.701 544 HA THR 67 HA THR 67 13.274 -0.291 2.173 545 HB THR 67 HB THR 67 15.230 -2.454 1.563 546 HG1 THR 67 HG1 THR 67 15.025 0.310 1.003 547 HG21 THR 67 HG21 THR 67 13.702 -2.874 -0.200 548 HG22 THR 67 HG22 THR 67 14.996 -1.880 -0.868 549 HG23 THR 67 HG23 THR 67 13.440 -1.150 -0.471 550 H PHE 68 HN PHE 68 11.596 -0.680 0.813 551 HA PHE 68 HA PHE 68 9.827 -2.850 1.507 552 HB2 PHE 68 HB2 PHE 68 9.548 -0.199 0.499 553 HB3 PHE 68 HB1 PHE 68 8.870 -1.279 -0.704 554 HD1 PHE 68 HD2 PHE 68 8.732 -2.210 2.828 555 HD2 PHE 68 HD1 PHE 68 6.649 -0.302 -0.364 556 HE1 PHE 68 HE2 PHE 68 6.637 -2.345 4.102 557 HE2 PHE 68 HE1 PHE 68 4.562 -0.443 0.916 558 HZ PHE 68 HZ PHE 68 4.553 -1.459 3.153 559 H ASN 69 HN ASN 69 8.819 -4.171 -0.224 560 HA ASN 69 HA ASN 69 10.468 -4.473 -2.616 561 HB2 ASN 69 HB2 ASN 69 9.900 -6.704 -0.659 562 HB3 ASN 69 HB1 ASN 69 10.569 -6.943 -2.270 563 HD21 ASN 69 HD21 ASN 69 11.420 -6.936 0.798 564 HD22 ASN 69 HD22 ASN 69 13.032 -6.322 0.700 565 H TYR 70 HN TYR 70 9.430 -5.200 -4.385 566 HA TYR 70 HA TYR 70 6.983 -6.610 -4.378 567 HB2 TYR 70 HB2 TYR 70 6.612 -3.924 -3.856 568 HB3 TYR 70 HB1 TYR 70 6.368 -4.020 -5.598 569 HD1 TYR 70 HD1 TYR 70 4.739 -5.869 -6.427 570 HD2 TYR 70 HD2 TYR 70 4.859 -4.442 -2.421 571 HE1 TYR 70 HE1 TYR 70 2.458 -6.713 -6.064 572 HE2 TYR 70 HE2 TYR 70 2.578 -5.282 -2.047 573 HH TYR 70 HH TYR 70 0.997 -7.362 -4.276 574 H ASN 71 HN ASN 71 9.437 -6.939 -5.597 575 HA ASN 71 HA ASN 71 9.808 -5.965 -8.146 576 HB2 ASN 71 HB2 ASN 71 10.352 -8.816 -7.308 577 HB3 ASN 71 HB1 ASN 71 11.173 -7.903 -8.570 578 HD21 ASN 71 HD21 ASN 71 12.914 -8.871 -7.043 579 HD22 ASN 71 HD22 ASN 71 13.494 -7.789 -5.828 580 H LEU 72 HN LEU 72 9.411 -6.889 -10.234 581 HA LEU 72 HA LEU 72 7.657 -8.989 -10.771 582 HB2 LEU 72 HB2 LEU 72 6.375 -6.455 -10.077 583 HB3 LEU 72 HB1 LEU 72 5.877 -7.067 -11.642 584 HG LEU 72 HG LEU 72 5.851 -9.014 -9.411 585 HD11 LEU 72 HD11 LEU 72 4.941 -7.185 -8.207 586 HD12 LEU 72 HD12 LEU 72 3.580 -8.175 -8.734 587 HD13 LEU 72 HD13 LEU 72 3.963 -6.678 -9.584 588 HD21 LEU 72 HD21 LEU 72 3.503 -9.258 -10.650 589 HD22 LEU 72 HD22 LEU 72 4.984 -9.990 -11.266 590 HD23 LEU 72 HD23 LEU 72 4.409 -8.464 -11.938 591 H ALA 73 HN ALA 73 9.371 -9.204 -12.290 592 HA ALA 73 HA ALA 73 10.233 -7.388 -14.163 593 HB1 ALA 73 HB1 ALA 73 10.534 -9.524 -15.634 594 HB2 ALA 73 HB2 ALA 73 10.023 -10.364 -14.170 595 HB3 ALA 73 HB3 ALA 73 11.456 -9.336 -14.142 596 H ASP 74 HN ASP 74 7.211 -9.103 -14.070 597 HA ASP 74 HA ASP 74 6.495 -7.924 -16.674 598 HB2 ASP 74 HB2 ASP 74 5.675 -10.529 -15.407 599 HB3 ASP 74 HB1 ASP 74 4.715 -9.787 -16.683 600 H GLY 75 HN GLY 75 6.297 -6.752 -13.946 601 HA2 GLY 75 HA2 GLY 75 3.409 -6.189 -14.043 602 HA3 GLY 75 HA1 GLY 75 4.183 -6.550 -12.508 603 H THR 76 HN THR 76 5.948 -5.090 -11.832 604 HA THR 76 HA THR 76 6.148 -2.514 -13.078 605 HB THR 76 HB THR 76 3.976 -2.415 -11.872 606 HG1 THR 76 HG1 THR 76 4.389 -0.419 -11.001 607 HG21 THR 76 HG21 THR 76 3.892 -2.304 -9.483 608 HG22 THR 76 HG22 THR 76 5.630 -2.578 -9.370 609 HG23 THR 76 HG23 THR 76 4.572 -3.857 -9.970 610 H GLU 77 HN GLU 77 6.657 -4.372 -10.093 611 HA GLU 77 HA GLU 77 8.481 -4.630 -8.755 612 HB2 GLU 77 HB2 GLU 77 9.679 -4.980 -10.913 613 HB3 GLU 77 HB1 GLU 77 10.018 -3.256 -10.968 614 HG2 GLU 77 HG2 GLU 77 11.808 -3.521 -9.704 615 HG3 GLU 77 HG1 GLU 77 10.849 -4.293 -8.442 616 H LEU 78 HN LEU 78 8.307 -3.418 -6.975 617 HA LEU 78 HA LEU 78 9.209 -0.632 -7.110 618 HB2 LEU 78 HB2 LEU 78 6.577 -1.676 -6.245 619 HB3 LEU 78 HB1 LEU 78 7.281 -0.440 -5.234 620 HG LEU 78 HG LEU 78 7.448 0.371 -7.981 621 HD11 LEU 78 HD11 LEU 78 5.364 0.162 -8.814 622 HD12 LEU 78 HD12 LEU 78 4.605 0.254 -7.222 623 HD13 LEU 78 HD13 LEU 78 5.332 -1.259 -7.769 624 HD21 LEU 78 HD21 LEU 78 6.049 2.252 -7.135 625 HD22 LEU 78 HD22 LEU 78 7.547 1.981 -6.250 626 HD23 LEU 78 HD23 LEU 78 6.009 1.436 -5.575 627 H ARG 79 HN ARG 79 10.735 -0.225 -5.647 628 HA ARG 79 HA ARG 79 10.792 -1.769 -3.139 629 HB2 ARG 79 HB2 ARG 79 13.238 -1.061 -4.763 630 HB3 ARG 79 HB1 ARG 79 13.183 -2.040 -3.302 631 HG2 ARG 79 HG2 ARG 79 11.517 -3.460 -4.851 632 HG3 ARG 79 HG1 ARG 79 12.558 -2.759 -6.091 633 HD2 ARG 79 HD2 ARG 79 14.398 -3.557 -4.273 634 HD3 ARG 79 HD1 ARG 79 13.151 -4.779 -4.034 635 HE ARG 79 HE ARG 79 13.661 -5.659 -6.087 636 HH11 ARG 79 HH11 ARG 79 15.116 -2.499 -5.811 637 HH12 ARG 79 HH12 ARG 79 16.037 -2.658 -7.269 638 HH21 ARG 79 HH21 ARG 79 14.872 -5.870 -8.005 639 HH22 ARG 79 HH22 ARG 79 15.899 -4.572 -8.515 640 H GLY 80 HN GLY 80 10.764 -0.428 -1.414 641 HA2 GLY 80 HA2 GLY 80 12.246 2.109 -1.584 642 HA3 GLY 80 HA1 GLY 80 10.549 2.166 -1.141 643 H THR 81 HN THR 81 10.074 2.067 0.977 644 HA THR 81 HA THR 81 11.620 0.472 2.798 645 HB THR 81 HB THR 81 11.986 2.479 4.366 646 HG1 THR 81 HG1 THR 81 11.178 4.226 3.491 647 HG21 THR 81 HG21 THR 81 13.819 1.271 3.215 648 HG22 THR 81 HG22 THR 81 14.145 2.982 3.493 649 HG23 THR 81 HG23 THR 81 13.684 2.421 1.885 650 H TRP 82 HN TRP 82 10.821 0.953 5.146 651 HA TRP 82 HA TRP 82 8.075 1.861 5.328 652 HB2 TRP 82 HB2 TRP 82 8.194 -0.639 4.512 653 HB3 TRP 82 HB1 TRP 82 8.559 -0.970 6.200 654 HD1 TRP 82 HD1 TRP 82 5.774 0.666 4.074 655 HE1 TRP 82 HE1 TRP 82 3.545 0.389 5.330 656 HE3 TRP 82 HE3 TRP 82 7.525 -1.505 8.352 657 HZ2 TRP 82 HZ2 TRP 82 2.649 -0.619 7.809 658 HZ3 TRP 82 HZ3 TRP 82 5.917 -2.096 10.119 659 HH2 TRP 82 HH2 TRP 82 3.531 -1.660 9.850 660 H SER 83 HN SER 83 7.807 2.774 7.279 661 HA SER 83 HA SER 83 9.227 1.719 9.596 662 HB2 SER 83 HB2 SER 83 10.352 3.813 8.233 663 HB3 SER 83 HB1 SER 83 9.380 4.652 9.443 664 HG SER 83 HG SER 83 11.667 3.175 9.745 665 H LEU 84 HN LEU 84 8.306 2.299 11.592 666 HA LEU 84 HA LEU 84 5.581 3.367 11.353 667 HB2 LEU 84 HB2 LEU 84 6.568 1.076 12.599 668 HB3 LEU 84 HB1 LEU 84 6.209 2.174 13.917 669 HG LEU 84 HG LEU 84 4.002 2.233 12.122 670 HD11 LEU 84 HD11 LEU 84 4.916 0.039 11.352 671 HD12 LEU 84 HD12 LEU 84 3.294 -0.040 12.040 672 HD13 LEU 84 HD13 LEU 84 4.682 -0.567 12.992 673 HD21 LEU 84 HD21 LEU 84 3.032 0.961 14.242 674 HD22 LEU 84 HD22 LEU 84 3.429 2.679 14.276 675 HD23 LEU 84 HD23 LEU 84 4.560 1.499 14.940 676 H GLU 85 HN GLU 85 4.978 5.171 12.388 677 HA GLU 85 HA GLU 85 6.903 6.395 14.252 678 HB2 GLU 85 HB2 GLU 85 5.506 7.536 11.883 679 HB3 GLU 85 HB1 GLU 85 5.740 8.583 13.274 680 HG2 GLU 85 HG2 GLU 85 8.214 7.446 12.950 681 HG3 GLU 85 HG1 GLU 85 7.650 7.644 11.292 682 H GLY 86 HN GLY 86 5.852 5.796 16.124 683 HA2 GLY 86 HA2 GLY 86 4.358 6.038 17.850 684 HA3 GLY 86 HA1 GLY 86 3.719 7.432 16.992 685 H ASN 87 HN ASN 87 1.722 7.294 16.196 686 HA ASN 87 HA ASN 87 0.444 4.654 16.206 687 HB2 ASN 87 HB2 ASN 87 -1.694 5.922 16.236 688 HB3 ASN 87 HB1 ASN 87 -0.663 6.284 17.617 689 HD21 ASN 87 HD21 ASN 87 -2.552 7.589 15.246 690 HD22 ASN 87 HD22 ASN 87 -1.951 9.208 15.267 691 H LYS 88 HN LYS 88 2.155 5.926 14.043 692 HA LYS 88 HA LYS 88 0.275 5.420 11.850 693 HB2 LYS 88 HB2 LYS 88 2.179 7.751 12.077 694 HB3 LYS 88 HB1 LYS 88 1.454 7.250 10.556 695 HG2 LYS 88 HG2 LYS 88 -0.027 8.858 11.159 696 HG3 LYS 88 HG1 LYS 88 -0.775 7.475 11.961 697 HD2 LYS 88 HD2 LYS 88 -0.745 9.191 13.574 698 HD3 LYS 88 HD1 LYS 88 0.587 8.119 14.008 699 HE2 LYS 88 HE2 LYS 88 1.552 10.216 14.187 700 HE3 LYS 88 HE1 LYS 88 2.023 9.715 12.564 701 HZ1 LYS 88 HZ1 LYS 88 0.185 11.016 11.675 702 HZ2 LYS 88 HZ2 LYS 88 1.230 11.991 12.579 703 HZ3 LYS 88 HZ3 LYS 88 -0.251 11.505 13.235 704 H LEU 89 HN LEU 89 1.311 4.747 9.857 705 HA LEU 89 HA LEU 89 4.056 3.757 10.230 706 HB2 LEU 89 HB2 LEU 89 3.462 1.684 9.076 707 HB3 LEU 89 HB1 LEU 89 2.555 1.885 10.563 708 HG LEU 89 HG LEU 89 0.769 2.925 8.871 709 HD11 LEU 89 HD11 LEU 89 2.715 1.618 7.175 710 HD12 LEU 89 HD12 LEU 89 1.347 2.644 6.742 711 HD13 LEU 89 HD13 LEU 89 1.108 0.915 6.991 712 HD21 LEU 89 HD21 LEU 89 0.672 0.917 10.475 713 HD22 LEU 89 HD22 LEU 89 1.012 -0.056 9.045 714 HD23 LEU 89 HD23 LEU 89 -0.437 0.947 9.104 715 H ILE 90 HN ILE 90 5.386 4.432 8.697 716 HA ILE 90 HA ILE 90 4.241 5.468 6.207 717 HB ILE 90 HB ILE 90 7.125 5.835 6.845 718 HG12 ILE 90 HG12 ILE 90 6.157 6.413 8.969 719 HG13 ILE 90 HG11 ILE 90 6.545 7.910 8.129 720 HG21 ILE 90 HG21 ILE 90 6.685 6.815 4.840 721 HG22 ILE 90 HG22 ILE 90 6.308 8.175 5.899 722 HG23 ILE 90 HG23 ILE 90 5.007 7.173 5.253 723 HD11 ILE 90 HD11 ILE 90 4.299 8.369 7.684 724 HD12 ILE 90 HD12 ILE 90 4.328 7.789 9.349 725 HD13 ILE 90 HD13 ILE 90 3.799 6.718 8.051 726 H GLY 91 HN GLY 91 4.747 4.706 4.261 727 HA2 GLY 91 HA2 GLY 91 6.790 2.615 4.015 728 HA3 GLY 91 HA1 GLY 91 5.161 2.322 3.414 729 H LYS 92 HN LYS 92 7.656 2.396 1.893 730 HA LYS 92 HA LYS 92 6.755 4.238 -0.147 731 HB2 LYS 92 HB2 LYS 92 9.438 4.817 -0.210 732 HB3 LYS 92 HB1 LYS 92 8.185 5.854 0.451 733 HG2 LYS 92 HG2 LYS 92 9.363 3.811 2.247 734 HG3 LYS 92 HG1 LYS 92 10.348 5.212 1.823 735 HD2 LYS 92 HD2 LYS 92 7.567 5.789 2.612 736 HD3 LYS 92 HD1 LYS 92 8.613 5.163 3.888 737 HE2 LYS 92 HE2 LYS 92 9.615 7.352 2.138 738 HE3 LYS 92 HE1 LYS 92 8.447 7.740 3.401 739 HZ1 LYS 92 HZ1 LYS 92 11.229 6.932 3.632 740 HZ2 LYS 92 HZ2 LYS 92 10.175 6.267 4.775 741 HZ3 LYS 92 HZ3 LYS 92 10.309 7.946 4.626 742 H PHE 93 HN PHE 93 7.799 3.921 -2.196 743 HA PHE 93 HA PHE 93 9.289 1.407 -2.463 744 HB2 PHE 93 HB2 PHE 93 6.759 2.155 -3.912 745 HB3 PHE 93 HB1 PHE 93 7.948 1.099 -4.635 746 HD1 PHE 93 HD1 PHE 93 8.679 -0.943 -3.161 747 HD2 PHE 93 HD2 PHE 93 5.018 1.190 -2.717 748 HE1 PHE 93 HE1 PHE 93 7.661 -2.920 -2.115 749 HE2 PHE 93 HE2 PHE 93 4.004 -0.788 -1.659 750 HZ PHE 93 HZ PHE 93 5.319 -2.844 -1.363 751 H LYS 94 HN LYS 94 10.023 1.188 -4.817 752 HA LYS 94 HA LYS 94 10.509 3.683 -6.183 753 HB2 LYS 94 HB2 LYS 94 12.428 3.182 -4.479 754 HB3 LYS 94 HB1 LYS 94 12.919 1.987 -5.670 755 HG2 LYS 94 HG2 LYS 94 14.017 3.580 -6.708 756 HG3 LYS 94 HG1 LYS 94 12.462 4.291 -7.125 757 HD2 LYS 94 HD2 LYS 94 12.875 6.053 -5.833 758 HD3 LYS 94 HD1 LYS 94 13.144 5.004 -4.438 759 HE2 LYS 94 HE2 LYS 94 15.449 4.586 -5.626 760 HE3 LYS 94 HE1 LYS 94 15.099 6.148 -6.368 761 HZ1 LYS 94 HZ1 LYS 94 15.071 5.679 -3.438 762 HZ2 LYS 94 HZ2 LYS 94 14.986 7.167 -4.237 763 HZ3 LYS 94 HZ3 LYS 94 16.417 6.266 -4.279 764 H ARG 95 HN ARG 95 10.504 3.409 -8.331 765 HA ARG 95 HA ARG 95 9.997 0.769 -9.360 766 HB2 ARG 95 HB2 ARG 95 10.063 3.507 -10.591 767 HB3 ARG 95 HB1 ARG 95 9.958 2.065 -11.591 768 HG2 ARG 95 HG2 ARG 95 7.992 1.613 -9.759 769 HG3 ARG 95 HG1 ARG 95 7.926 3.366 -9.947 770 HD2 ARG 95 HD2 ARG 95 6.449 2.494 -11.564 771 HD3 ARG 95 HD1 ARG 95 7.903 2.963 -12.445 772 HE ARG 95 HE ARG 95 7.912 0.213 -11.630 773 HH11 ARG 95 HH11 ARG 95 6.831 2.449 -14.082 774 HH12 ARG 95 HH12 ARG 95 6.734 1.240 -15.318 775 HH21 ARG 95 HH21 ARG 95 7.784 -1.378 -13.254 776 HH22 ARG 95 HH22 ARG 95 7.274 -0.933 -14.849 777 H THR 96 HN THR 96 11.127 -0.274 -10.993 778 HA THR 96 HA THR 96 13.975 -0.111 -10.707 779 HB THR 96 HB THR 96 12.381 -2.171 -11.052 780 HG1 THR 96 HG1 THR 96 14.553 -2.459 -10.740 781 HG21 THR 96 HG21 THR 96 11.851 -1.197 -13.450 782 HG22 THR 96 HG22 THR 96 11.952 -2.931 -13.142 783 HG23 THR 96 HG23 THR 96 13.322 -2.081 -13.858 784 H ASP 97 HN ASP 97 11.639 1.084 -12.954 785 HA ASP 97 HA ASP 97 12.988 1.300 -15.326 786 HB2 ASP 97 HB2 ASP 97 10.680 2.049 -15.035 787 HB3 ASP 97 HB1 ASP 97 11.222 3.390 -14.031 788 H ASN 98 HN ASN 98 13.425 3.224 -12.422 789 HA ASN 98 HA ASN 98 16.075 3.897 -12.945 790 HB2 ASN 98 HB2 ASN 98 14.539 5.349 -14.640 791 HB3 ASN 98 HB1 ASN 98 14.568 6.429 -13.250 792 HD21 ASN 98 HD21 ASN 98 16.695 4.514 -15.328 793 HD22 ASN 98 HD22 ASN 98 18.022 5.620 -15.285 794 H GLY 99 HN GLY 99 14.520 3.024 -10.782 795 HA2 GLY 99 HA2 GLY 99 14.091 3.412 -8.570 796 HA3 GLY 99 HA1 GLY 99 15.523 4.423 -8.643 797 H ASN 100 HN ASN 100 12.080 4.533 -9.546 798 HA ASN 100 HA ASN 100 12.018 7.401 -9.156 799 HB2 ASN 100 HB2 ASN 100 9.991 5.359 -10.024 800 HB3 ASN 100 HB1 ASN 100 9.506 7.001 -9.623 801 HD21 ASN 100 HD21 ASN 100 10.362 5.017 -12.079 802 HD22 ASN 100 HD22 ASN 100 10.899 6.188 -13.231 803 H GLU 101 HN GLU 101 11.221 8.453 -7.430 804 HA GLU 101 HA GLU 101 11.000 7.096 -4.967 805 HB2 GLU 101 HB2 GLU 101 10.281 9.957 -5.608 806 HB3 GLU 101 HB1 GLU 101 10.573 9.289 -4.007 807 HG2 GLU 101 HG2 GLU 101 12.870 8.939 -4.480 808 HG3 GLU 101 HG1 GLU 101 12.633 9.296 -6.188 809 H LEU 102 HN LEU 102 9.332 6.512 -3.786 810 HA LEU 102 HA LEU 102 6.624 7.293 -4.544 811 HB2 LEU 102 HB2 LEU 102 7.369 5.125 -5.662 812 HB3 LEU 102 HB1 LEU 102 7.341 4.412 -4.060 813 HG LEU 102 HG LEU 102 4.847 5.782 -4.687 814 HD11 LEU 102 HD11 LEU 102 6.016 4.259 -6.799 815 HD12 LEU 102 HD12 LEU 102 4.455 5.075 -6.746 816 HD13 LEU 102 HD13 LEU 102 4.598 3.413 -6.178 817 HD21 LEU 102 HD21 LEU 102 4.927 2.881 -4.240 818 HD22 LEU 102 HD22 LEU 102 3.977 4.131 -3.437 819 HD23 LEU 102 HD23 LEU 102 5.657 3.866 -2.972 820 H ASN 103 HN ASN 103 5.883 8.189 -2.715 821 HA ASN 103 HA ASN 103 6.709 7.057 -0.143 822 HB2 ASN 103 HB2 ASN 103 5.316 9.700 -0.536 823 HB3 ASN 103 HB1 ASN 103 6.284 9.166 0.836 824 HD21 ASN 103 HD21 ASN 103 8.422 9.527 0.839 825 HD22 ASN 103 HD22 ASN 103 9.293 10.270 -0.454 826 H THR 104 HN THR 104 5.253 6.698 1.510 827 HA THR 104 HA THR 104 2.406 6.825 0.965 828 HB THR 104 HB THR 104 1.924 4.579 1.105 829 HG1 THR 104 HG1 THR 104 2.752 3.492 2.665 830 HG21 THR 104 HG21 THR 104 4.726 4.379 0.035 831 HG22 THR 104 HG22 THR 104 3.319 4.872 -0.904 832 HG23 THR 104 HG23 THR 104 3.403 3.245 -0.229 833 H VAL 105 HN VAL 105 1.545 7.789 2.661 834 HA VAL 105 HA VAL 105 2.703 7.247 5.318 835 HB VAL 105 HB VAL 105 1.317 9.795 4.480 836 HG11 VAL 105 HG11 VAL 105 2.448 8.755 7.000 837 HG12 VAL 105 HG12 VAL 105 1.139 9.905 6.730 838 HG13 VAL 105 HG13 VAL 105 2.817 10.437 6.618 839 HG21 VAL 105 HG21 VAL 105 3.867 10.546 4.884 840 HG22 VAL 105 HG22 VAL 105 3.217 10.121 3.300 841 HG23 VAL 105 HG23 VAL 105 4.128 8.930 4.229 842 H ARG 106 HN ARG 106 1.390 6.335 6.745 843 HA ARG 106 HA ARG 106 -1.504 6.376 6.213 844 HB2 ARG 106 HB2 ARG 106 0.219 4.407 7.717 845 HB3 ARG 106 HB1 ARG 106 -1.538 4.366 7.746 846 HG2 ARG 106 HG2 ARG 106 -1.379 4.247 5.190 847 HG3 ARG 106 HG1 ARG 106 0.316 3.834 5.456 848 HD2 ARG 106 HD2 ARG 106 -0.814 2.131 7.178 849 HD3 ARG 106 HD1 ARG 106 -2.138 2.277 6.024 850 HE ARG 106 HE ARG 106 0.326 1.798 4.698 851 HH11 ARG 106 HH11 ARG 106 -2.166 0.213 6.558 852 HH12 ARG 106 HH12 ARG 106 -1.880 -1.341 5.849 853 HH21 ARG 106 HH21 ARG 106 0.703 -0.245 3.765 854 HH22 ARG 106 HH22 ARG 106 -0.251 -1.602 4.264 855 H GLU 107 HN GLU 107 -2.611 7.745 7.431 856 HA GLU 107 HA GLU 107 -1.662 8.286 10.168 857 HB2 GLU 107 HB2 GLU 107 -3.489 10.122 8.646 858 HB3 GLU 107 HB1 GLU 107 -2.449 10.489 10.015 859 HG2 GLU 107 HG2 GLU 107 -0.733 9.619 7.991 860 HG3 GLU 107 HG1 GLU 107 -1.907 10.670 7.200 861 H ILE 108 HN ILE 108 -3.120 8.236 11.856 862 HA ILE 108 HA ILE 108 -5.557 6.739 11.332 863 HB ILE 108 HB ILE 108 -4.491 7.635 14.010 864 HG12 ILE 108 HG12 ILE 108 -2.882 6.222 12.628 865 HG13 ILE 108 HG11 ILE 108 -3.309 5.590 14.215 866 HG21 ILE 108 HG21 ILE 108 -6.518 6.899 14.622 867 HG22 ILE 108 HG22 ILE 108 -5.821 5.294 14.403 868 HG23 ILE 108 HG23 ILE 108 -6.770 6.028 13.110 869 HD11 ILE 108 HD11 ILE 108 -5.093 4.630 12.147 870 HD12 ILE 108 HD12 ILE 108 -4.152 3.733 13.340 871 HD13 ILE 108 HD13 ILE 108 -3.406 4.230 11.821 872 H ILE 109 HN ILE 109 -6.991 8.177 10.442 873 HA ILE 109 HA ILE 109 -7.509 10.710 11.743 874 HB ILE 109 HB ILE 109 -7.523 10.334 9.218 875 HG12 ILE 109 HG12 ILE 109 -9.244 11.991 8.865 876 HG13 ILE 109 HG11 ILE 109 -10.014 11.580 10.394 877 HG21 ILE 109 HG21 ILE 109 -9.407 8.402 9.941 878 HG22 ILE 109 HG22 ILE 109 -8.949 8.896 8.308 879 HG23 ILE 109 HG23 ILE 109 -10.316 9.667 9.115 880 HD11 ILE 109 HD11 ILE 109 -8.653 12.906 11.555 881 HD12 ILE 109 HD12 ILE 109 -8.250 13.624 9.994 882 HD13 ILE 109 HD13 ILE 109 -7.223 12.362 10.678 883 H GLY 110 HN GLY 110 -7.996 9.106 13.637 884 HA2 GLY 110 HA2 GLY 110 -9.704 8.824 15.167 885 HA3 GLY 110 HA1 GLY 110 -10.875 9.186 13.926 886 H ASP 111 HN ASP 111 -12.192 7.536 13.755 887 HA ASP 111 HA ASP 111 -11.382 4.841 14.304 888 HB2 ASP 111 HB2 ASP 111 -13.727 5.949 14.609 889 HB3 ASP 111 HB1 ASP 111 -13.945 5.547 12.908 890 H GLU 112 HN GLU 112 -10.909 6.806 11.660 891 HA GLU 112 HA GLU 112 -10.773 4.477 9.857 892 HB2 GLU 112 HB2 GLU 112 -11.375 7.333 9.071 893 HB3 GLU 112 HB1 GLU 112 -11.307 5.949 7.991 894 HG2 GLU 112 HG2 GLU 112 -13.208 4.956 9.199 895 HG3 GLU 112 HG1 GLU 112 -13.292 6.403 10.196 896 H LEU 113 HN LEU 113 -9.299 5.043 7.916 897 HA LEU 113 HA LEU 113 -6.894 6.408 8.939 898 HB2 LEU 113 HB2 LEU 113 -6.881 3.805 8.653 899 HB3 LEU 113 HB1 LEU 113 -6.705 4.182 6.951 900 HG LEU 113 HG LEU 113 -4.767 5.758 8.024 901 HD11 LEU 113 HD11 LEU 113 -3.643 3.773 9.472 902 HD12 LEU 113 HD12 LEU 113 -5.338 3.605 9.932 903 HD13 LEU 113 HD13 LEU 113 -4.510 5.146 10.162 904 HD21 LEU 113 HD21 LEU 113 -3.344 3.547 7.490 905 HD22 LEU 113 HD22 LEU 113 -4.027 4.589 6.241 906 HD23 LEU 113 HD23 LEU 113 -4.871 3.115 6.719 907 H VAL 114 HN VAL 114 -6.069 7.965 7.715 908 HA VAL 114 HA VAL 114 -7.173 8.316 5.001 909 HB VAL 114 HB VAL 114 -7.583 10.221 6.478 910 HG11 VAL 114 HG11 VAL 114 -6.114 10.976 7.963 911 HG12 VAL 114 HG12 VAL 114 -4.887 11.215 6.718 912 HG13 VAL 114 HG13 VAL 114 -5.054 9.644 7.502 913 HG21 VAL 114 HG21 VAL 114 -7.117 11.805 4.916 914 HG22 VAL 114 HG22 VAL 114 -6.725 10.376 3.960 915 HG23 VAL 114 HG23 VAL 114 -5.438 11.296 4.739 916 H GLN 115 HN GLN 115 -5.857 7.391 3.570 917 HA GLN 115 HA GLN 115 -2.979 7.416 4.020 918 HB2 GLN 115 HB2 GLN 115 -4.832 5.616 2.794 919 HB3 GLN 115 HB1 GLN 115 -3.614 6.070 1.612 920 HG2 GLN 115 HG2 GLN 115 -2.964 5.067 4.369 921 HG3 GLN 115 HG1 GLN 115 -3.096 4.028 2.953 922 HE21 GLN 115 HE21 GLN 115 -0.913 3.426 3.253 923 HE22 GLN 115 HE22 GLN 115 0.374 4.471 2.768 924 H THR 116 HN THR 116 -1.505 8.342 2.725 925 HA THR 116 HA THR 116 -2.379 9.793 0.333 926 HB THR 116 HB THR 116 -0.400 11.208 2.003 927 HG1 THR 116 HG1 THR 116 -1.597 11.216 3.710 928 HG21 THR 116 HG21 THR 116 -1.976 11.866 -0.151 929 HG22 THR 116 HG22 THR 116 -1.076 12.989 0.869 930 HG23 THR 116 HG23 THR 116 -2.776 12.658 1.207 931 H TYR 117 HN TYR 117 -1.227 8.846 -1.221 932 HA TYR 117 HA TYR 117 1.577 8.148 -0.673 933 HB2 TYR 117 HB2 TYR 117 -0.069 7.149 -2.990 934 HB3 TYR 117 HB1 TYR 117 1.419 6.472 -2.346 935 HD1 TYR 117 HD2 TYR 117 -2.188 6.989 -1.537 936 HD2 TYR 117 HD1 TYR 117 1.345 4.739 -0.792 937 HE1 TYR 117 HE2 TYR 117 -3.496 5.380 -0.226 938 HE2 TYR 117 HE1 TYR 117 0.042 3.120 0.519 939 HH TYR 117 HH TYR 117 -3.165 2.803 0.377 940 H VAL 118 HN VAL 118 3.100 8.477 -2.481 941 HA VAL 118 HA VAL 118 2.274 10.274 -4.568 942 HB VAL 118 HB VAL 118 2.824 11.818 -2.708 943 HG11 VAL 118 HG11 VAL 118 4.551 11.386 -1.383 944 HG12 VAL 118 HG12 VAL 118 5.635 11.743 -2.726 945 HG13 VAL 118 HG13 VAL 118 5.094 10.089 -2.446 946 HG21 VAL 118 HG21 VAL 118 4.344 11.766 -5.272 947 HG22 VAL 118 HG22 VAL 118 4.710 13.025 -4.092 948 HG23 VAL 118 HG23 VAL 118 3.077 12.867 -4.736 949 H TYR 119 HN TYR 119 3.549 10.123 -6.383 950 HA TYR 119 HA TYR 119 6.169 8.928 -6.267 951 HB2 TYR 119 HB2 TYR 119 4.999 6.888 -6.270 952 HB3 TYR 119 HB1 TYR 119 3.817 7.464 -7.428 953 HD1 TYR 119 HD2 TYR 119 7.235 6.222 -7.002 954 HD2 TYR 119 HD1 TYR 119 4.252 7.374 -9.785 955 HE1 TYR 119 HE2 TYR 119 8.530 5.171 -8.800 956 HE2 TYR 119 HE1 TYR 119 5.539 6.331 -11.606 957 HH TYR 119 HH TYR 119 7.854 5.690 -12.090 958 H GLU 120 HN GLU 120 7.319 10.195 -7.511 959 HA GLU 120 HA GLU 120 7.678 11.952 -9.002 960 HB2 GLU 120 HB2 GLU 120 7.075 9.891 -11.072 961 HB3 GLU 120 HB1 GLU 120 8.434 11.002 -10.962 962 HG2 GLU 120 HG2 GLU 120 7.977 8.512 -9.354 963 HG3 GLU 120 HG1 GLU 120 9.222 8.798 -10.559 964 H GLY 121 HN GLY 121 5.970 13.414 -8.819 965 HA2 GLY 121 HA2 GLY 121 4.350 14.736 -9.782 966 HA3 GLY 121 HA1 GLY 121 4.419 13.708 -11.184 967 H VAL 122 HN VAL 122 3.860 11.563 -8.855 968 HA VAL 122 HA VAL 122 0.954 11.770 -9.216 969 HB VAL 122 HB VAL 122 2.511 9.310 -8.440 970 HG11 VAL 122 HG11 VAL 122 -0.021 9.136 -9.914 971 HG12 VAL 122 HG12 VAL 122 -0.141 9.731 -8.258 972 HG13 VAL 122 HG13 VAL 122 0.593 8.162 -8.586 973 HG21 VAL 122 HG21 VAL 122 1.545 9.265 -11.132 974 HG22 VAL 122 HG22 VAL 122 3.180 9.022 -10.522 975 HG23 VAL 122 HG23 VAL 122 2.611 10.647 -10.895 976 H GLU 123 HN GLU 123 -0.433 11.563 -7.505 977 HA GLU 123 HA GLU 123 0.522 10.956 -4.872 978 HB2 GLU 123 HB2 GLU 123 0.788 13.552 -5.513 979 HB3 GLU 123 HB1 GLU 123 -0.888 13.560 -4.976 980 HG2 GLU 123 HG2 GLU 123 -0.348 13.109 -2.828 981 HG3 GLU 123 HG1 GLU 123 1.083 12.191 -3.249 982 H ALA 124 HN ALA 124 -0.963 9.584 -4.194 983 HA ALA 124 HA ALA 124 -3.775 10.141 -4.848 984 HB1 ALA 124 HB1 ALA 124 -4.182 7.772 -4.987 985 HB2 ALA 124 HB2 ALA 124 -2.531 7.419 -4.479 986 HB3 ALA 124 HB3 ALA 124 -2.828 8.179 -6.041 987 H LYS 125 HN LYS 125 -5.305 9.916 -3.293 988 HA LYS 125 HA LYS 125 -4.308 9.486 -0.557 989 HB2 LYS 125 HB2 LYS 125 -6.076 11.475 -1.724 990 HB3 LYS 125 HB1 LYS 125 -6.859 10.633 -0.394 991 HG2 LYS 125 HG2 LYS 125 -5.737 11.850 1.070 992 HG3 LYS 125 HG1 LYS 125 -4.206 11.292 0.395 993 HD2 LYS 125 HD2 LYS 125 -5.834 13.624 -0.614 994 HD3 LYS 125 HD1 LYS 125 -4.366 13.735 0.359 995 HE2 LYS 125 HE2 LYS 125 -3.379 12.256 -1.589 996 HE3 LYS 125 HE1 LYS 125 -4.706 12.977 -2.500 997 HZ1 LYS 125 HZ1 LYS 125 -2.448 14.355 -1.170 998 HZ2 LYS 125 HZ2 LYS 125 -3.838 15.179 -1.670 999 HZ3 LYS 125 HZ3 LYS 125 -2.873 14.384 -2.808 1000 H ARG 126 HN ARG 126 -5.998 8.454 0.934 1001 HA ARG 126 HA ARG 126 -8.001 6.859 -0.392 1002 HB2 ARG 126 HB2 ARG 126 -6.101 5.522 -0.940 1003 HB3 ARG 126 HB1 ARG 126 -5.485 5.602 0.702 1004 HG2 ARG 126 HG2 ARG 126 -8.173 4.420 0.350 1005 HG3 ARG 126 HG1 ARG 126 -6.807 3.496 -0.275 1006 HD2 ARG 126 HD2 ARG 126 -6.869 4.612 2.517 1007 HD3 ARG 126 HD1 ARG 126 -7.514 3.023 2.117 1008 HE ARG 126 HE ARG 126 -4.772 3.534 1.313 1009 HH11 ARG 126 HH11 ARG 126 -6.934 2.131 3.670 1010 HH12 ARG 126 HH12 ARG 126 -5.718 1.114 4.363 1011 HH21 ARG 126 HH21 ARG 126 -3.174 2.189 2.228 1012 HH22 ARG 126 HH22 ARG 126 -3.588 1.151 3.550 1013 H ILE 127 HN ILE 127 -9.668 6.639 0.911 1014 HA ILE 127 HA ILE 127 -9.404 7.131 3.762 1015 HB ILE 127 HB ILE 127 -11.978 6.292 2.477 1016 HG12 ILE 127 HG12 ILE 127 -10.981 8.060 1.024 1017 HG13 ILE 127 HG11 ILE 127 -12.481 8.552 1.799 1018 HG21 ILE 127 HG21 ILE 127 -11.540 8.380 4.583 1019 HG22 ILE 127 HG22 ILE 127 -11.594 6.661 4.977 1020 HG23 ILE 127 HG23 ILE 127 -12.993 7.442 4.237 1021 HD11 ILE 127 HD11 ILE 127 -9.763 9.263 2.844 1022 HD12 ILE 127 HD12 ILE 127 -11.323 9.918 3.342 1023 HD13 ILE 127 HD13 ILE 127 -10.689 10.273 1.735 1024 H PHE 128 HN PHE 128 -9.993 5.584 5.362 1025 HA PHE 128 HA PHE 128 -10.171 2.827 4.347 1026 HB2 PHE 128 HB2 PHE 128 -7.924 3.043 5.022 1027 HB3 PHE 128 HB1 PHE 128 -8.367 3.950 6.463 1028 HD1 PHE 128 HD1 PHE 128 -8.689 0.603 4.898 1029 HD2 PHE 128 HD2 PHE 128 -8.621 2.875 8.491 1030 HE1 PHE 128 HE1 PHE 128 -8.735 -1.447 6.188 1031 HE2 PHE 128 HE2 PHE 128 -8.643 0.780 9.798 1032 HZ PHE 128 HZ PHE 128 -8.716 -1.383 8.644 1033 H LYS 129 HN LYS 129 -11.102 1.285 5.683 1034 HA LYS 129 HA LYS 129 -12.517 2.140 8.079 1035 HB2 LYS 129 HB2 LYS 129 -13.943 0.722 5.822 1036 HB3 LYS 129 HB1 LYS 129 -14.640 1.211 7.358 1037 HG2 LYS 129 HG2 LYS 129 -13.480 3.204 5.444 1038 HG3 LYS 129 HG1 LYS 129 -15.152 2.651 5.328 1039 HD2 LYS 129 HD2 LYS 129 -15.170 3.268 7.893 1040 HD3 LYS 129 HD1 LYS 129 -13.837 4.321 7.414 1041 HE2 LYS 129 HE2 LYS 129 -16.601 4.298 6.206 1042 HE3 LYS 129 HE1 LYS 129 -15.979 5.498 7.337 1043 HZ1 LYS 129 HZ1 LYS 129 -14.774 6.505 5.743 1044 HZ2 LYS 129 HZ2 LYS 129 -15.906 5.799 4.703 1045 HZ3 LYS 129 HZ3 LYS 129 -14.399 5.066 4.936 1046 H LYS 130 HN LYS 130 -13.249 0.268 9.353 1047 HA LYS 130 HA LYS 130 -11.562 -2.072 8.777 1048 HB2 LYS 130 HB2 LYS 130 -11.835 -2.560 11.240 1049 HB3 LYS 130 HB1 LYS 130 -10.889 -1.135 10.833 1050 HG2 LYS 130 HG2 LYS 130 -12.857 0.272 11.287 1051 HG3 LYS 130 HG1 LYS 130 -13.753 -1.172 11.762 1052 HD2 LYS 130 HD2 LYS 130 -11.162 -0.844 13.102 1053 HD3 LYS 130 HD1 LYS 130 -12.343 0.417 13.466 1054 HE2 LYS 130 HE2 LYS 130 -12.644 -2.556 13.841 1055 HE3 LYS 130 HE1 LYS 130 -12.601 -1.312 15.089 1056 HZ1 LYS 130 HZ1 LYS 130 -14.831 -1.643 14.921 1057 HZ2 LYS 130 HZ2 LYS 130 -14.779 -2.056 13.282 1058 HZ3 LYS 130 HZ3 LYS 130 -14.660 -0.435 13.748 1059 H ASP 131 HN ASP 131 -12.342 -4.164 9.135 1060 HA ASP 131 HA ASP 131 -15.004 -4.590 8.275 1061 HB2 ASP 131 HB2 ASP 131 -12.827 -6.084 8.110 1062 HB3 ASP 131 HB1 ASP 131 -13.451 -6.767 9.609 1063 H2 KTR 201 H6 KET 1 -1.381 1.558 -5.123 1064 H3 KTR 201 H31 KET 1 2.179 -0.635 -1.998 1065 H4 KTR 201 H32 KET 1 2.967 0.420 -3.183 1066 H5 KTR 201 H21 KET 1 1.141 1.095 -0.976 1067 H6 KTR 201 H22 KET 1 2.512 2.007 -1.642 1068 H7 KTR 201 H1 KET 1 -0.050 2.641 -2.335 1069 H8 KTR 201 H11 KET 1 1.802 -1.253 -6.905 1070 H9 KTR 201 H13 KET 1 1.980 -2.269 -9.147 1071 H10 KTR 201 H15 KET 1 1.399 -4.650 -9.470 1072 H11 KTR 201 H14 KET 1 0.639 -6.005 -7.547 1073 H12 KTR 201 H12 KET 1 0.463 -4.977 -5.312 1074 H13 KTR 201 H7 KET 1 -1.081 -0.984 -5.905 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -3.769 1.553 16.721 2 H2 ALA 1 HT2 ALA 1 -2.598 0.638 17.578 3 H3 ALA 1 HT3 ALA 1 -4.037 1.145 18.364 4 HA ALA 1 HA ALA 1 -3.885 -1.225 17.632 5 HB1 ALA 1 HB1 ALA 1 -5.958 0.345 18.139 6 HB2 ALA 1 HB2 ALA 1 -6.159 -1.306 17.554 7 HB3 ALA 1 HB3 ALA 1 -6.282 0.048 16.431 8 H PHE 2 HN PHE 2 -2.129 -1.193 15.964 9 HA PHE 2 HA PHE 2 -3.028 -0.798 13.227 10 HB2 PHE 2 HB2 PHE 2 -0.430 -1.093 14.591 11 HB3 PHE 2 HB1 PHE 2 -0.518 -1.829 12.995 12 HD1 PHE 2 HD2 PHE 2 -1.989 -0.137 11.337 13 HD2 PHE 2 HD1 PHE 2 0.575 0.960 14.551 14 HE1 PHE 2 HE2 PHE 2 -1.638 2.065 10.300 15 HE2 PHE 2 HE1 PHE 2 0.931 3.165 13.520 16 HZ PHE 2 HZ PHE 2 -0.176 3.720 11.391 17 H ASP 3 HN ASP 3 -1.731 -3.442 15.222 18 HA ASP 3 HA ASP 3 -1.882 -5.495 13.352 19 HB2 ASP 3 HB2 ASP 3 -1.360 -5.251 16.126 20 HB3 ASP 3 HB1 ASP 3 -2.587 -6.501 15.950 21 H SER 4 HN SER 4 -3.650 -5.913 12.152 22 HA SER 4 HA SER 4 -5.907 -7.163 13.148 23 HB2 SER 4 HB2 SER 4 -6.024 -4.413 13.714 24 HB3 SER 4 HB1 SER 4 -7.099 -4.650 12.339 25 HG SER 4 HG SER 4 -7.610 -5.172 14.852 26 H THR 5 HN THR 5 -7.863 -6.883 11.510 27 HA THR 5 HA THR 5 -6.728 -7.291 8.856 28 HB THR 5 HB THR 5 -9.577 -7.619 9.830 29 HG1 THR 5 HG1 THR 5 -7.436 -9.444 9.570 30 HG21 THR 5 HG21 THR 5 -10.064 -7.746 7.674 31 HG22 THR 5 HG22 THR 5 -9.233 -9.302 7.711 32 HG23 THR 5 HG23 THR 5 -8.367 -7.851 7.205 33 H TRP 6 HN TRP 6 -6.753 -5.719 7.334 34 HA TRP 6 HA TRP 6 -8.524 -3.426 7.843 35 HB2 TRP 6 HB2 TRP 6 -5.761 -3.532 6.705 36 HB3 TRP 6 HB1 TRP 6 -6.755 -2.134 6.531 37 HD1 TRP 6 HD1 TRP 6 -6.801 -4.110 9.790 38 HE1 TRP 6 HE1 TRP 6 -5.748 -2.686 11.651 39 HE3 TRP 6 HE3 TRP 6 -5.052 -0.237 6.950 40 HZ2 TRP 6 HZ2 TRP 6 -4.359 -0.253 11.889 41 HZ3 TRP 6 HZ3 TRP 6 -3.866 1.600 8.076 42 HH2 TRP 6 HH2 TRP 6 -3.528 1.593 10.494 43 H LYS 7 HN LYS 7 -9.939 -2.875 6.416 44 HA LYS 7 HA LYS 7 -9.686 -3.893 3.663 45 HB2 LYS 7 HB2 LYS 7 -12.141 -3.897 3.525 46 HB3 LYS 7 HB1 LYS 7 -11.569 -4.968 4.793 47 HG2 LYS 7 HG2 LYS 7 -12.388 -3.648 6.473 48 HG3 LYS 7 HG1 LYS 7 -12.305 -2.178 5.504 49 HD2 LYS 7 HD2 LYS 7 -14.108 -3.744 4.126 50 HD3 LYS 7 HD1 LYS 7 -14.480 -4.089 5.816 51 HE2 LYS 7 HE2 LYS 7 -14.193 -1.384 5.865 52 HE3 LYS 7 HE1 LYS 7 -14.868 -1.633 4.256 53 HZ1 LYS 7 HZ1 LYS 7 -16.438 -1.329 6.269 54 HZ2 LYS 7 HZ2 LYS 7 -16.103 -2.958 6.574 55 HZ3 LYS 7 HZ3 LYS 7 -16.804 -2.500 5.104 56 H VAL 8 HN VAL 8 -9.425 -2.445 2.196 57 HA VAL 8 HA VAL 8 -9.412 0.316 2.767 58 HB VAL 8 HB VAL 8 -8.018 -0.887 1.039 59 HG11 VAL 8 HG11 VAL 8 -8.993 -1.049 -1.234 60 HG12 VAL 8 HG12 VAL 8 -10.578 -0.681 -0.557 61 HG13 VAL 8 HG13 VAL 8 -9.739 -2.160 -0.085 62 HG21 VAL 8 HG21 VAL 8 -8.505 1.645 1.292 63 HG22 VAL 8 HG22 VAL 8 -9.406 1.442 -0.210 64 HG23 VAL 8 HG23 VAL 8 -7.687 1.054 -0.154 65 H ASP 9 HN ASP 9 -10.952 1.837 2.588 66 HA ASP 9 HA ASP 9 -13.620 0.971 1.822 67 HB2 ASP 9 HB2 ASP 9 -13.386 2.195 3.908 68 HB3 ASP 9 HB1 ASP 9 -12.644 3.550 3.066 69 H ARG 10 HN ARG 10 -12.171 4.170 1.305 70 HA ARG 10 HA ARG 10 -13.045 3.983 -1.503 71 HB2 ARG 10 HB2 ARG 10 -13.121 6.505 -1.405 72 HB3 ARG 10 HB1 ARG 10 -14.334 5.676 -0.438 73 HG2 ARG 10 HG2 ARG 10 -12.940 6.012 1.548 74 HG3 ARG 10 HG1 ARG 10 -11.780 6.889 0.558 75 HD2 ARG 10 HD2 ARG 10 -13.047 8.747 0.489 76 HD3 ARG 10 HD1 ARG 10 -14.547 7.835 0.336 77 HE ARG 10 HE ARG 10 -13.499 7.573 2.949 78 HH11 ARG 10 HH11 ARG 10 -15.122 9.860 0.872 79 HH12 ARG 10 HH12 ARG 10 -15.873 10.707 2.182 80 HH21 ARG 10 HH21 ARG 10 -14.486 8.686 4.673 81 HH22 ARG 10 HH22 ARG 10 -15.512 10.041 4.340 82 H SER 11 HN SER 11 -11.771 5.087 -3.076 83 HA SER 11 HA SER 11 -8.974 5.522 -2.287 84 HB2 SER 11 HB2 SER 11 -8.295 4.436 -4.445 85 HB3 SER 11 HB1 SER 11 -9.040 3.332 -3.293 86 HG SER 11 HG SER 11 -9.980 4.258 -5.738 87 H GLU 12 HN GLU 12 -7.871 7.106 -3.383 88 HA GLU 12 HA GLU 12 -9.312 8.596 -5.457 89 HB2 GLU 12 HB2 GLU 12 -8.426 10.720 -4.301 90 HB3 GLU 12 HB1 GLU 12 -9.840 9.934 -3.611 91 HG2 GLU 12 HG2 GLU 12 -8.406 8.847 -1.946 92 HG3 GLU 12 HG1 GLU 12 -7.009 9.680 -2.625 93 H ASN 13 HN ASN 13 -8.042 9.214 -7.106 94 HA ASN 13 HA ASN 13 -6.232 9.472 -8.428 95 HB2 ASN 13 HB2 ASN 13 -5.278 10.307 -5.751 96 HB3 ASN 13 HB1 ASN 13 -4.057 9.987 -6.970 97 HD21 ASN 13 HD21 ASN 13 -7.272 11.242 -7.586 98 HD22 ASN 13 HD22 ASN 13 -6.761 12.798 -8.135 99 H TYR 14 HN TYR 14 -6.819 6.864 -6.765 100 HA TYR 14 HA TYR 14 -4.409 5.457 -6.522 101 HB2 TYR 14 HB2 TYR 14 -6.857 4.854 -5.792 102 HB3 TYR 14 HB1 TYR 14 -6.944 4.114 -7.380 103 HD1 TYR 14 HD1 TYR 14 -4.173 3.032 -7.596 104 HD2 TYR 14 HD2 TYR 14 -6.919 3.011 -4.353 105 HE1 TYR 14 HE1 TYR 14 -3.106 1.000 -6.719 106 HE2 TYR 14 HE2 TYR 14 -5.859 0.980 -3.460 107 HH TYR 14 HH TYR 14 -3.251 -0.042 -3.807 108 H ASP 15 HN ASP 15 -6.726 5.750 -9.192 109 HA ASP 15 HA ASP 15 -5.466 4.140 -11.084 110 HB2 ASP 15 HB2 ASP 15 -6.994 6.718 -11.526 111 HB3 ASP 15 HB1 ASP 15 -6.624 5.530 -12.773 112 H LYS 16 HN LYS 16 -4.672 7.268 -9.852 113 HA LYS 16 HA LYS 16 -3.035 8.308 -11.842 114 HB2 LYS 16 HB2 LYS 16 -3.817 9.159 -9.426 115 HB3 LYS 16 HB1 LYS 16 -2.196 8.627 -9.009 116 HG2 LYS 16 HG2 LYS 16 -1.481 10.606 -9.680 117 HG3 LYS 16 HG1 LYS 16 -1.883 10.124 -11.321 118 HD2 LYS 16 HD2 LYS 16 -4.294 10.880 -10.559 119 HD3 LYS 16 HD1 LYS 16 -3.360 11.843 -9.411 120 HE2 LYS 16 HE2 LYS 16 -2.420 11.932 -12.200 121 HE3 LYS 16 HE1 LYS 16 -4.002 12.655 -11.915 122 HZ1 LYS 16 HZ1 LYS 16 -1.910 13.371 -10.029 123 HZ2 LYS 16 HZ2 LYS 16 -3.120 14.329 -10.720 124 HZ3 LYS 16 HZ3 LYS 16 -1.722 13.969 -11.601 125 H PHE 17 HN PHE 17 -2.294 6.098 -9.199 126 HA PHE 17 HA PHE 17 0.477 5.909 -9.856 127 HB2 PHE 17 HB2 PHE 17 -1.319 4.223 -8.119 128 HB3 PHE 17 HB1 PHE 17 0.397 3.878 -8.336 129 HD1 PHE 17 HD1 PHE 17 -1.021 7.237 -8.281 130 HD2 PHE 17 HD2 PHE 17 1.061 4.252 -6.029 131 HE1 PHE 17 HE1 PHE 17 -0.474 8.920 -6.615 132 HE2 PHE 17 HE2 PHE 17 1.619 5.955 -4.343 133 HZ PHE 17 HZ PHE 17 0.856 8.280 -4.629 134 H MET 18 HN MET 18 -2.370 4.346 -11.030 135 HA MET 18 HA MET 18 -1.137 2.039 -12.116 136 HB2 MET 18 HB2 MET 18 -3.723 3.475 -12.590 137 HB3 MET 18 HB1 MET 18 -3.219 2.215 -13.705 138 HG2 MET 18 HG2 MET 18 -4.603 1.139 -12.169 139 HG3 MET 18 HG1 MET 18 -2.971 0.730 -11.668 140 HE1 MET 18 HE1 MET 18 -2.529 2.140 -8.255 141 HE2 MET 18 HE2 MET 18 -1.666 2.161 -9.792 142 HE3 MET 18 HE3 MET 18 -2.407 0.667 -9.216 143 H GLU 19 HN GLU 19 -1.498 5.352 -13.204 144 HA GLU 19 HA GLU 19 -0.581 4.698 -15.879 145 HB2 GLU 19 HB2 GLU 19 -1.050 7.445 -14.729 146 HB3 GLU 19 HB1 GLU 19 -0.996 6.987 -16.426 147 HG2 GLU 19 HG2 GLU 19 -3.092 6.131 -14.443 148 HG3 GLU 19 HG1 GLU 19 -3.275 7.394 -15.659 149 H LYS 20 HN LYS 20 0.576 6.975 -13.360 150 HA LYS 20 HA LYS 20 2.974 7.670 -14.503 151 HB2 LYS 20 HB2 LYS 20 1.792 7.815 -11.893 152 HB3 LYS 20 HB1 LYS 20 3.490 7.434 -11.740 153 HG2 LYS 20 HG2 LYS 20 2.318 9.772 -13.219 154 HG3 LYS 20 HG1 LYS 20 3.061 9.818 -11.623 155 HD2 LYS 20 HD2 LYS 20 4.374 9.288 -14.268 156 HD3 LYS 20 HD1 LYS 20 4.673 10.587 -13.117 157 HE2 LYS 20 HE2 LYS 20 5.621 9.048 -11.535 158 HE3 LYS 20 HE1 LYS 20 5.200 7.687 -12.567 159 HZ1 LYS 20 HZ1 LYS 20 7.491 8.148 -12.878 160 HZ2 LYS 20 HZ2 LYS 20 7.205 9.798 -13.119 161 HZ3 LYS 20 HZ3 LYS 20 6.694 8.675 -14.275 162 H MET 21 HN MET 21 2.375 4.921 -12.332 163 HA MET 21 HA MET 21 5.085 3.955 -12.704 164 HB2 MET 21 HB2 MET 21 4.079 3.792 -10.492 165 HB3 MET 21 HB1 MET 21 2.756 2.832 -11.139 166 HG2 MET 21 HG2 MET 21 5.018 1.441 -11.906 167 HG3 MET 21 HG1 MET 21 5.401 2.020 -10.286 168 HE1 MET 21 HE1 MET 21 2.215 0.696 -8.335 169 HE2 MET 21 HE2 MET 21 1.902 1.974 -9.509 170 HE3 MET 21 HE3 MET 21 3.340 2.044 -8.492 171 H GLY 22 HN GLY 22 1.883 3.316 -13.905 172 HA2 GLY 22 HA2 GLY 22 1.355 2.138 -15.850 173 HA3 GLY 22 HA1 GLY 22 2.994 1.504 -15.883 174 H VAL 23 HN VAL 23 0.303 1.374 -13.556 175 HA VAL 23 HA VAL 23 0.881 -1.431 -13.040 176 HB VAL 23 HB VAL 23 -1.382 0.157 -11.850 177 HG11 VAL 23 HG11 VAL 23 -1.581 -2.151 -11.373 178 HG12 VAL 23 HG12 VAL 23 -0.936 -1.392 -9.916 179 HG13 VAL 23 HG13 VAL 23 0.136 -2.290 -10.994 180 HG21 VAL 23 HG21 VAL 23 0.922 -0.010 -10.130 181 HG22 VAL 23 HG22 VAL 23 -0.017 1.402 -10.614 182 HG23 VAL 23 HG23 VAL 23 1.313 0.840 -11.625 183 H ASN 24 HN ASN 24 -0.079 -3.039 -14.104 184 HA ASN 24 HA ASN 24 -2.003 -2.620 -16.097 185 HB2 ASN 24 HB2 ASN 24 -0.621 -4.915 -14.906 186 HB3 ASN 24 HB1 ASN 24 -2.205 -5.290 -15.555 187 HD21 ASN 24 HD21 ASN 24 1.042 -4.473 -16.265 188 HD22 ASN 24 HD22 ASN 24 0.926 -4.569 -17.986 189 H ILE 25 HN ILE 25 -3.987 -4.211 -16.090 190 HA ILE 25 HA ILE 25 -5.704 -3.281 -13.928 191 HB ILE 25 HB ILE 25 -6.449 -3.056 -16.270 192 HG12 ILE 25 HG12 ILE 25 -8.400 -5.018 -15.263 193 HG13 ILE 25 HG11 ILE 25 -7.933 -3.786 -14.095 194 HG21 ILE 25 HG21 ILE 25 -7.159 -5.043 -17.520 195 HG22 ILE 25 HG22 ILE 25 -6.493 -6.068 -16.248 196 HG23 ILE 25 HG23 ILE 25 -5.424 -5.042 -17.205 197 HD11 ILE 25 HD11 ILE 25 -8.515 -2.671 -16.707 198 HD12 ILE 25 HD12 ILE 25 -9.141 -2.231 -15.118 199 HD13 ILE 25 HD13 ILE 25 -9.878 -3.555 -16.020 200 H VAL 26 HN VAL 26 -4.343 -6.216 -15.201 201 HA VAL 26 HA VAL 26 -5.907 -8.170 -14.061 202 HB VAL 26 HB VAL 26 -2.895 -8.306 -14.159 203 HG11 VAL 26 HG11 VAL 26 -3.730 -10.751 -14.833 204 HG12 VAL 26 HG12 VAL 26 -5.088 -10.264 -13.818 205 HG13 VAL 26 HG13 VAL 26 -3.451 -10.265 -13.161 206 HG21 VAL 26 HG21 VAL 26 -2.955 -8.187 -16.376 207 HG22 VAL 26 HG22 VAL 26 -4.683 -7.844 -16.305 208 HG23 VAL 26 HG23 VAL 26 -4.119 -9.510 -16.436 209 H LYS 27 HN LYS 27 -3.094 -6.573 -12.570 210 HA LYS 27 HA LYS 27 -3.653 -7.832 -10.020 211 HB2 LYS 27 HB2 LYS 27 -1.323 -7.362 -10.968 212 HB3 LYS 27 HB1 LYS 27 -1.610 -5.680 -10.544 213 HG2 LYS 27 HG2 LYS 27 -0.407 -6.544 -8.745 214 HG3 LYS 27 HG1 LYS 27 -2.082 -6.533 -8.187 215 HD2 LYS 27 HD2 LYS 27 -2.198 -8.949 -8.975 216 HD3 LYS 27 HD1 LYS 27 -0.440 -8.876 -9.117 217 HE2 LYS 27 HE2 LYS 27 -2.136 -8.618 -6.652 218 HE3 LYS 27 HE1 LYS 27 -0.856 -9.783 -6.987 219 HZ1 LYS 27 HZ1 LYS 27 0.297 -8.358 -5.688 220 HZ2 LYS 27 HZ2 LYS 27 -0.664 -7.021 -6.074 221 HZ3 LYS 27 HZ3 LYS 27 0.528 -7.545 -7.154 222 H ARG 28 HN ARG 28 -4.072 -4.742 -11.583 223 HA ARG 28 HA ARG 28 -4.711 -3.282 -9.209 224 HB2 ARG 28 HB2 ARG 28 -3.834 -2.255 -11.297 225 HB3 ARG 28 HB1 ARG 28 -5.374 -2.599 -12.070 226 HG2 ARG 28 HG2 ARG 28 -5.553 -1.166 -9.527 227 HG3 ARG 28 HG1 ARG 28 -4.717 -0.298 -10.811 228 HD2 ARG 28 HD2 ARG 28 -7.339 -1.634 -11.311 229 HD3 ARG 28 HD1 ARG 28 -7.246 -0.044 -10.572 230 HE ARG 28 HE ARG 28 -5.748 -0.268 -13.009 231 HH11 ARG 28 HH11 ARG 28 -8.876 0.428 -11.627 232 HH12 ARG 28 HH12 ARG 28 -9.408 1.361 -12.985 233 HH21 ARG 28 HH21 ARG 28 -6.446 0.959 -14.796 234 HH22 ARG 28 HH22 ARG 28 -8.028 1.663 -14.785 235 H LYS 29 HN LYS 29 -6.487 -5.380 -11.279 236 HA LYS 29 HA LYS 29 -9.057 -4.468 -11.212 237 HB2 LYS 29 HB2 LYS 29 -7.776 -7.097 -11.371 238 HB3 LYS 29 HB1 LYS 29 -9.427 -7.141 -10.763 239 HG2 LYS 29 HG2 LYS 29 -9.965 -5.650 -12.804 240 HG3 LYS 29 HG1 LYS 29 -8.422 -6.238 -13.426 241 HD2 LYS 29 HD2 LYS 29 -9.267 -8.567 -12.950 242 HD3 LYS 29 HD1 LYS 29 -10.851 -7.838 -12.679 243 HE2 LYS 29 HE2 LYS 29 -9.618 -6.943 -15.156 244 HE3 LYS 29 HE1 LYS 29 -9.832 -8.693 -15.104 245 HZ1 LYS 29 HZ1 LYS 29 -12.197 -7.886 -14.205 246 HZ2 LYS 29 HZ2 LYS 29 -11.873 -8.155 -15.843 247 HZ3 LYS 29 HZ3 LYS 29 -11.825 -6.584 -15.220 248 H LEU 30 HN LEU 30 -7.412 -6.299 -8.648 249 HA LEU 30 HA LEU 30 -9.700 -5.813 -6.881 250 HB2 LEU 30 HB2 LEU 30 -7.457 -7.366 -5.806 251 HB3 LEU 30 HB1 LEU 30 -9.175 -7.715 -5.794 252 HG LEU 30 HG LEU 30 -8.648 -8.189 -8.393 253 HD11 LEU 30 HD11 LEU 30 -6.071 -8.316 -6.964 254 HD12 LEU 30 HD12 LEU 30 -6.415 -8.031 -8.670 255 HD13 LEU 30 HD13 LEU 30 -6.441 -9.673 -8.028 256 HD21 LEU 30 HD21 LEU 30 -7.971 -10.586 -7.092 257 HD22 LEU 30 HD22 LEU 30 -9.558 -10.079 -7.669 258 HD23 LEU 30 HD23 LEU 30 -9.070 -9.728 -6.012 259 H ALA 31 HN ALA 31 -6.286 -5.162 -7.271 260 HA ALA 31 HA ALA 31 -5.852 -3.969 -4.738 261 HB1 ALA 31 HB1 ALA 31 -4.085 -4.864 -6.274 262 HB2 ALA 31 HB2 ALA 31 -3.748 -3.270 -5.598 263 HB3 ALA 31 HB3 ALA 31 -4.309 -3.422 -7.264 264 H ALA 32 HN ALA 32 -7.505 -2.856 -7.513 265 HA ALA 32 HA ALA 32 -6.937 -0.141 -7.539 266 HB1 ALA 32 HB1 ALA 32 -8.249 -1.130 -9.280 267 HB2 ALA 32 HB2 ALA 32 -9.199 0.145 -8.519 268 HB3 ALA 32 HB3 ALA 32 -9.531 -1.546 -8.143 269 H HIS 33 HN HIS 33 -9.436 -1.835 -5.624 270 HA HIS 33 HA HIS 33 -9.234 -0.452 -3.303 271 HB2 HIS 33 HB2 HIS 33 -11.126 1.246 -3.503 272 HB3 HIS 33 HB1 HIS 33 -9.600 1.674 -4.265 273 HD1 HIS 33 HD1 HIS 33 -13.144 0.799 -5.037 274 HD2 HIS 33 HD2 HIS 33 -9.662 1.798 -7.071 275 HE1 HIS 33 HE1 HIS 33 -13.860 1.285 -7.398 276 HE2 HIS 33 HE2 HIS 33 -11.749 1.973 -8.588 277 H ASP 34 HN ASP 34 -11.792 -1.264 -5.617 278 HA ASP 34 HA ASP 34 -13.821 -1.882 -3.858 279 HB2 ASP 34 HB2 ASP 34 -13.141 -2.725 -6.630 280 HB3 ASP 34 HB1 ASP 34 -14.391 -3.634 -5.785 281 H ASN 35 HN ASN 35 -11.521 -4.214 -5.283 282 HA ASN 35 HA ASN 35 -12.184 -6.020 -3.082 283 HB2 ASN 35 HB2 ASN 35 -10.941 -6.827 -5.707 284 HB3 ASN 35 HB1 ASN 35 -11.652 -7.878 -4.486 285 HD21 ASN 35 HD21 ASN 35 -12.268 -5.673 -7.086 286 HD22 ASN 35 HD22 ASN 35 -13.951 -6.023 -7.259 287 H LEU 36 HN LEU 36 -10.591 -4.584 -1.913 288 HA LEU 36 HA LEU 36 -7.922 -5.773 -2.190 289 HB2 LEU 36 HB2 LEU 36 -7.790 -3.579 -3.202 290 HB3 LEU 36 HB1 LEU 36 -8.537 -2.848 -1.795 291 HG LEU 36 HG LEU 36 -6.509 -3.690 -0.480 292 HD11 LEU 36 HD11 LEU 36 -4.710 -4.566 -1.519 293 HD12 LEU 36 HD12 LEU 36 -4.958 -3.618 -2.986 294 HD13 LEU 36 HD13 LEU 36 -5.914 -5.072 -2.704 295 HD21 LEU 36 HD21 LEU 36 -7.051 -1.326 -1.610 296 HD22 LEU 36 HD22 LEU 36 -5.560 -1.718 -2.467 297 HD23 LEU 36 HD23 LEU 36 -5.570 -1.642 -0.705 298 H LYS 37 HN LYS 37 -7.364 -6.744 -0.378 299 HA LYS 37 HA LYS 37 -8.415 -5.713 2.180 300 HB2 LYS 37 HB2 LYS 37 -8.842 -8.218 1.118 301 HB3 LYS 37 HB1 LYS 37 -7.458 -8.489 2.165 302 HG2 LYS 37 HG2 LYS 37 -10.137 -7.377 2.955 303 HG3 LYS 37 HG1 LYS 37 -9.462 -8.948 3.385 304 HD2 LYS 37 HD2 LYS 37 -8.120 -8.075 5.003 305 HD3 LYS 37 HD1 LYS 37 -7.857 -6.566 4.125 306 HE2 LYS 37 HE2 LYS 37 -9.201 -6.378 6.243 307 HE3 LYS 37 HE1 LYS 37 -9.941 -5.704 4.797 308 HZ1 LYS 37 HZ1 LYS 37 -11.389 -7.124 6.306 309 HZ2 LYS 37 HZ2 LYS 37 -10.545 -8.453 5.688 310 HZ3 LYS 37 HZ3 LYS 37 -11.439 -7.462 4.649 311 H LEU 38 HN LEU 38 -6.935 -4.765 3.300 312 HA LEU 38 HA LEU 38 -4.136 -5.621 3.056 313 HB2 LEU 38 HB2 LEU 38 -5.129 -3.184 2.597 314 HB3 LEU 38 HB1 LEU 38 -4.936 -3.032 4.324 315 HG LEU 38 HG LEU 38 -2.574 -3.220 4.188 316 HD11 LEU 38 HD11 LEU 38 -3.144 -4.601 1.652 317 HD12 LEU 38 HD12 LEU 38 -1.875 -4.885 2.842 318 HD13 LEU 38 HD13 LEU 38 -1.700 -3.586 1.659 319 HD21 LEU 38 HD21 LEU 38 -3.942 -1.319 2.552 320 HD22 LEU 38 HD22 LEU 38 -2.406 -1.731 1.784 321 HD23 LEU 38 HD23 LEU 38 -2.434 -1.131 3.443 322 H THR 39 HN THR 39 -3.316 -6.714 4.793 323 HA THR 39 HA THR 39 -4.756 -6.397 7.348 324 HB THR 39 HB THR 39 -3.339 -8.866 6.343 325 HG1 THR 39 HG1 THR 39 -5.390 -8.253 5.318 326 HG21 THR 39 HG21 THR 39 -4.523 -9.999 8.183 327 HG22 THR 39 HG22 THR 39 -5.021 -8.421 8.793 328 HG23 THR 39 HG23 THR 39 -3.310 -8.845 8.738 329 H ILE 40 HN ILE 40 -3.597 -6.586 9.294 330 HA ILE 40 HA ILE 40 -0.688 -6.188 9.092 331 HB ILE 40 HB ILE 40 -2.509 -4.629 10.938 332 HG12 ILE 40 HG12 ILE 40 -1.001 -3.545 8.556 333 HG13 ILE 40 HG11 ILE 40 -2.678 -4.072 8.454 334 HG21 ILE 40 HG21 ILE 40 -0.675 -3.757 11.906 335 HG22 ILE 40 HG22 ILE 40 0.226 -3.698 10.391 336 HG23 ILE 40 HG23 ILE 40 0.116 -5.209 11.293 337 HD11 ILE 40 HD11 ILE 40 -1.509 -1.708 9.816 338 HD12 ILE 40 HD12 ILE 40 -2.979 -2.427 10.473 339 HD13 ILE 40 HD13 ILE 40 -2.952 -1.838 8.811 340 H THR 41 HN THR 41 0.337 -7.682 10.261 341 HA THR 41 HA THR 41 -1.049 -8.834 12.591 342 HB THR 41 HB THR 41 1.286 -10.220 11.378 343 HG1 THR 41 HG1 THR 41 -1.258 -10.002 10.167 344 HG21 THR 41 HG21 THR 41 0.552 -11.732 12.825 345 HG22 THR 41 HG22 THR 41 -0.766 -12.014 11.687 346 HG23 THR 41 HG23 THR 41 -0.990 -10.903 13.038 347 H GLN 42 HN GLN 42 0.684 -9.844 14.168 348 HA GLN 42 HA GLN 42 2.642 -7.712 14.716 349 HB2 GLN 42 HB2 GLN 42 0.566 -8.630 16.315 350 HB3 GLN 42 HB1 GLN 42 1.989 -9.411 16.989 351 HG2 GLN 42 HG2 GLN 42 2.199 -6.523 16.393 352 HG3 GLN 42 HG1 GLN 42 1.165 -6.997 17.741 353 HE21 GLN 42 HE21 GLN 42 2.928 -5.637 18.776 354 HE22 GLN 42 HE22 GLN 42 4.298 -6.495 19.383 355 H GLU 43 HN GLU 43 4.706 -8.236 14.617 356 HA GLU 43 HA GLU 43 5.656 -10.823 15.491 357 HB2 GLU 43 HB2 GLU 43 5.949 -9.921 12.623 358 HB3 GLU 43 HB1 GLU 43 6.934 -11.181 13.353 359 HG2 GLU 43 HG2 GLU 43 3.934 -11.271 13.153 360 HG3 GLU 43 HG1 GLU 43 5.038 -12.029 12.008 361 H GLY 44 HN GLY 44 6.771 -9.611 17.047 362 HA2 GLY 44 HA2 GLY 44 8.510 -8.372 17.906 363 HA3 GLY 44 HA1 GLY 44 9.390 -8.901 16.481 364 H ASN 45 HN ASN 45 10.444 -7.038 15.884 365 HA ASN 45 HA ASN 45 9.109 -4.489 15.932 366 HB2 ASN 45 HB2 ASN 45 11.270 -3.877 14.528 367 HB3 ASN 45 HB1 ASN 45 11.354 -4.124 16.264 368 HD21 ASN 45 HD21 ASN 45 11.531 -5.998 13.258 369 HD22 ASN 45 HD22 ASN 45 12.850 -6.996 13.756 370 H LYS 46 HN LYS 46 8.735 -7.042 13.935 371 HA LYS 46 HA LYS 46 8.334 -5.331 11.584 372 HB2 LYS 46 HB2 LYS 46 9.205 -6.914 10.253 373 HB3 LYS 46 HB1 LYS 46 9.865 -7.593 11.732 374 HG2 LYS 46 HG2 LYS 46 7.585 -8.871 11.814 375 HG3 LYS 46 HG1 LYS 46 7.549 -8.504 10.091 376 HD2 LYS 46 HD2 LYS 46 9.627 -10.072 11.605 377 HD3 LYS 46 HD1 LYS 46 8.546 -10.651 10.338 378 HE2 LYS 46 HE2 LYS 46 10.291 -10.312 8.974 379 HE3 LYS 46 HE1 LYS 46 9.836 -8.612 9.073 380 HZ1 LYS 46 HZ1 LYS 46 11.974 -8.408 9.706 381 HZ2 LYS 46 HZ2 LYS 46 12.096 -10.000 10.263 382 HZ3 LYS 46 HZ3 LYS 46 11.363 -8.821 11.229 383 H PHE 47 HN PHE 47 6.493 -5.539 10.350 384 HA PHE 47 HA PHE 47 4.194 -6.714 11.770 385 HB2 PHE 47 HB2 PHE 47 4.235 -4.538 9.671 386 HB3 PHE 47 HB1 PHE 47 2.827 -5.096 10.558 387 HD1 PHE 47 HD1 PHE 47 3.856 -5.250 13.303 388 HD2 PHE 47 HD2 PHE 47 4.528 -2.337 10.277 389 HE1 PHE 47 HE1 PHE 47 4.303 -3.556 15.032 390 HE2 PHE 47 HE2 PHE 47 4.969 -0.640 11.999 391 HZ PHE 47 HZ PHE 47 4.859 -1.249 14.382 392 H THR 48 HN THR 48 3.017 -8.281 10.789 393 HA THR 48 HA THR 48 3.914 -9.200 8.171 394 HB THR 48 HB THR 48 1.736 -10.662 9.516 395 HG1 THR 48 HG1 THR 48 3.183 -11.512 11.085 396 HG21 THR 48 HG21 THR 48 3.266 -11.395 7.549 397 HG22 THR 48 HG22 THR 48 2.810 -12.555 8.798 398 HG23 THR 48 HG23 THR 48 4.403 -11.798 8.835 399 H VAL 49 HN VAL 49 2.811 -8.882 6.338 400 HA VAL 49 HA VAL 49 0.136 -7.682 6.566 401 HB VAL 49 HB VAL 49 1.883 -7.611 4.116 402 HG11 VAL 49 HG11 VAL 49 0.419 -6.019 3.289 403 HG12 VAL 49 HG12 VAL 49 -0.211 -5.619 4.887 404 HG13 VAL 49 HG13 VAL 49 -0.662 -7.140 4.117 405 HG21 VAL 49 HG21 VAL 49 3.086 -5.883 4.885 406 HG22 VAL 49 HG22 VAL 49 2.612 -6.460 6.481 407 HG23 VAL 49 HG23 VAL 49 1.705 -5.161 5.708 408 H LYS 50 HN LYS 50 -1.559 -8.780 5.942 409 HA LYS 50 HA LYS 50 -1.191 -11.069 4.123 410 HB2 LYS 50 HB2 LYS 50 -2.057 -11.228 6.697 411 HB3 LYS 50 HB1 LYS 50 -3.586 -11.043 5.850 412 HG2 LYS 50 HG2 LYS 50 -3.212 -13.003 4.568 413 HG3 LYS 50 HG1 LYS 50 -1.536 -13.112 5.109 414 HD2 LYS 50 HD2 LYS 50 -3.746 -13.170 7.119 415 HD3 LYS 50 HD1 LYS 50 -3.370 -14.625 6.195 416 HE2 LYS 50 HE2 LYS 50 -1.078 -14.567 6.975 417 HE3 LYS 50 HE1 LYS 50 -1.378 -13.050 7.822 418 HZ1 LYS 50 HZ1 LYS 50 -3.059 -15.358 8.474 419 HZ2 LYS 50 HZ2 LYS 50 -2.541 -14.088 9.464 420 HZ3 LYS 50 HZ3 LYS 50 -1.473 -15.337 9.063 421 H GLU 51 HN GLU 51 -1.954 -10.565 2.171 422 HA GLU 51 HA GLU 51 -4.192 -8.696 1.965 423 HB2 GLU 51 HB2 GLU 51 -1.827 -8.996 0.500 424 HB3 GLU 51 HB1 GLU 51 -3.102 -9.553 -0.575 425 HG2 GLU 51 HG2 GLU 51 -3.421 -6.970 0.880 426 HG3 GLU 51 HG1 GLU 51 -2.398 -7.052 -0.553 427 H SER 52 HN SER 52 -6.099 -9.176 0.948 428 HA SER 52 HA SER 52 -6.488 -11.964 0.094 429 HB2 SER 52 HB2 SER 52 -8.182 -10.338 1.983 430 HB3 SER 52 HB1 SER 52 -8.846 -11.711 1.097 431 HG SER 52 HG SER 52 -7.693 -11.888 3.346 432 H SER 53 HN SER 53 -7.877 -12.295 -1.611 433 HA SER 53 HA SER 53 -9.310 -10.029 -2.745 434 HB2 SER 53 HB2 SER 53 -6.800 -11.046 -3.815 435 HB3 SER 53 HB1 SER 53 -8.104 -11.142 -4.999 436 HG SER 53 HG SER 53 -8.516 -8.859 -4.303 437 H ALA 54 HN ALA 54 -10.284 -10.923 -4.998 438 HA ALA 54 HA ALA 54 -11.660 -13.407 -4.247 439 HB1 ALA 54 HB1 ALA 54 -13.415 -12.682 -5.821 440 HB2 ALA 54 HB2 ALA 54 -12.486 -11.219 -6.149 441 HB3 ALA 54 HB3 ALA 54 -13.129 -11.513 -4.533 442 H PHE 55 HN PHE 55 -9.411 -12.144 -6.489 443 HA PHE 55 HA PHE 55 -9.859 -14.420 -8.302 444 HB2 PHE 55 HB2 PHE 55 -8.903 -11.635 -8.737 445 HB3 PHE 55 HB1 PHE 55 -8.210 -12.898 -9.747 446 HD1 PHE 55 HD2 PHE 55 -11.448 -11.449 -8.656 447 HD2 PHE 55 HD1 PHE 55 -9.350 -13.669 -11.619 448 HE1 PHE 55 HE2 PHE 55 -13.423 -11.353 -10.120 449 HE2 PHE 55 HE1 PHE 55 -11.321 -13.576 -13.089 450 HZ PHE 55 HZ PHE 55 -13.361 -12.418 -12.340 451 H ARG 56 HN ARG 56 -7.575 -12.868 -6.189 452 HA ARG 56 HA ARG 56 -5.871 -15.188 -6.280 453 HB2 ARG 56 HB2 ARG 56 -5.258 -13.022 -7.977 454 HB3 ARG 56 HB1 ARG 56 -4.119 -12.929 -6.641 455 HG2 ARG 56 HG2 ARG 56 -4.305 -15.642 -7.479 456 HG3 ARG 56 HG1 ARG 56 -4.053 -14.626 -8.900 457 HD2 ARG 56 HD2 ARG 56 -1.959 -14.077 -8.289 458 HD3 ARG 56 HD1 ARG 56 -2.387 -13.935 -6.584 459 HE ARG 56 HE ARG 56 -2.318 -16.646 -7.539 460 HH11 ARG 56 HH11 ARG 56 -0.423 -14.028 -6.222 461 HH12 ARG 56 HH12 ARG 56 0.803 -15.070 -5.583 462 HH21 ARG 56 HH21 ARG 56 -0.706 -18.019 -6.699 463 HH22 ARG 56 HH22 ARG 56 0.643 -17.336 -5.854 464 H ASN 57 HN ASN 57 -3.628 -14.180 -5.039 465 HA ASN 57 HA ASN 57 -4.627 -12.821 -2.636 466 HB2 ASN 57 HB2 ASN 57 -3.420 -15.530 -2.827 467 HB3 ASN 57 HB1 ASN 57 -2.908 -14.523 -1.477 468 HD21 ASN 57 HD21 ASN 57 -5.012 -16.833 -2.339 469 HD22 ASN 57 HD22 ASN 57 -6.296 -16.512 -1.228 470 H ILE 58 HN ILE 58 -2.919 -11.900 -1.297 471 HA ILE 58 HA ILE 58 -0.288 -11.625 -2.501 472 HB ILE 58 HB ILE 58 -1.591 -9.044 -1.792 473 HG12 ILE 58 HG12 ILE 58 -1.918 -10.329 -4.512 474 HG13 ILE 58 HG11 ILE 58 -3.203 -10.201 -3.316 475 HG21 ILE 58 HG21 ILE 58 0.568 -9.957 -3.664 476 HG22 ILE 58 HG22 ILE 58 0.699 -8.891 -2.266 477 HG23 ILE 58 HG23 ILE 58 -0.106 -8.329 -3.731 478 HD11 ILE 58 HD11 ILE 58 -2.956 -7.733 -3.409 479 HD12 ILE 58 HD12 ILE 58 -3.476 -8.463 -4.928 480 HD13 ILE 58 HD13 ILE 58 -1.802 -7.945 -4.725 481 H GLU 59 HN GLU 59 1.215 -10.420 -1.085 482 HA GLU 59 HA GLU 59 0.550 -9.703 1.544 483 HB2 GLU 59 HB2 GLU 59 1.594 -11.599 2.762 484 HB3 GLU 59 HB1 GLU 59 0.115 -12.043 1.923 485 HG2 GLU 59 HG2 GLU 59 1.321 -13.152 0.206 486 HG3 GLU 59 HG1 GLU 59 2.857 -12.509 0.786 487 H VAL 60 HN VAL 60 2.561 -9.564 2.966 488 HA VAL 60 HA VAL 60 5.154 -9.726 1.971 489 HB VAL 60 HB VAL 60 4.580 -8.076 0.315 490 HG11 VAL 60 HG11 VAL 60 3.494 -6.490 2.628 491 HG12 VAL 60 HG12 VAL 60 2.643 -7.048 1.190 492 HG13 VAL 60 HG13 VAL 60 3.853 -5.771 1.059 493 HG21 VAL 60 HG21 VAL 60 6.195 -6.861 2.556 494 HG22 VAL 60 HG22 VAL 60 6.148 -6.251 0.902 495 HG23 VAL 60 HG23 VAL 60 6.800 -7.856 1.232 496 H VAL 61 HN VAL 61 6.410 -9.688 3.735 497 HA VAL 61 HA VAL 61 5.352 -8.765 6.235 498 HB VAL 61 HB VAL 61 7.727 -10.267 5.370 499 HG11 VAL 61 HG11 VAL 61 8.941 -9.864 7.503 500 HG12 VAL 61 HG12 VAL 61 7.865 -8.498 7.801 501 HG13 VAL 61 HG13 VAL 61 8.943 -8.484 6.404 502 HG21 VAL 61 HG21 VAL 61 6.635 -10.614 8.068 503 HG22 VAL 61 HG22 VAL 61 6.931 -11.804 6.799 504 HG23 VAL 61 HG23 VAL 61 5.467 -10.821 6.762 505 H PHE 62 HN PHE 62 5.970 -7.030 7.446 506 HA PHE 62 HA PHE 62 7.717 -5.046 6.132 507 HB2 PHE 62 HB2 PHE 62 5.219 -4.538 7.773 508 HB3 PHE 62 HB1 PHE 62 6.310 -3.288 7.195 509 HD1 PHE 62 HD1 PHE 62 6.565 -5.124 4.490 510 HD2 PHE 62 HD2 PHE 62 3.459 -3.173 6.644 511 HE1 PHE 62 HE1 PHE 62 5.253 -4.937 2.421 512 HE2 PHE 62 HE2 PHE 62 2.139 -2.985 4.577 513 HZ PHE 62 HZ PHE 62 3.036 -3.869 2.461 514 H GLU 63 HN GLU 63 8.876 -3.672 7.486 515 HA GLU 63 HA GLU 63 8.991 -4.277 10.310 516 HB2 GLU 63 HB2 GLU 63 10.572 -5.825 8.865 517 HB3 GLU 63 HB1 GLU 63 11.580 -4.400 8.845 518 HG2 GLU 63 HG2 GLU 63 10.819 -4.721 11.510 519 HG3 GLU 63 HG1 GLU 63 11.206 -6.338 10.923 520 H LEU 64 HN LEU 64 10.183 -2.706 11.507 521 HA LEU 64 HA LEU 64 10.038 -0.126 10.223 522 HB2 LEU 64 HB2 LEU 64 10.940 -0.848 13.004 523 HB3 LEU 64 HB1 LEU 64 10.493 0.754 12.436 524 HG LEU 64 HG LEU 64 8.654 -1.628 12.769 525 HD11 LEU 64 HD11 LEU 64 9.303 0.776 14.356 526 HD12 LEU 64 HD12 LEU 64 8.737 -0.811 14.876 527 HD13 LEU 64 HD13 LEU 64 7.593 0.365 14.225 528 HD21 LEU 64 HD21 LEU 64 6.867 -0.237 12.004 529 HD22 LEU 64 HD22 LEU 64 8.126 -0.238 10.769 530 HD23 LEU 64 HD23 LEU 64 7.942 1.151 11.840 531 H GLY 65 HN GLY 65 11.648 0.131 8.772 532 HA2 GLY 65 HA2 GLY 65 13.876 1.107 8.617 533 HA3 GLY 65 HA1 GLY 65 14.387 -0.045 9.834 534 H VAL 66 HN VAL 66 12.297 -1.070 7.302 535 HA VAL 66 HA VAL 66 14.565 -2.452 5.989 536 HB VAL 66 HB VAL 66 13.358 -4.141 7.120 537 HG11 VAL 66 HG11 VAL 66 10.879 -2.748 6.158 538 HG12 VAL 66 HG12 VAL 66 11.529 -2.781 7.799 539 HG13 VAL 66 HG13 VAL 66 10.905 -4.266 7.061 540 HG21 VAL 66 HG21 VAL 66 12.318 -5.475 5.381 541 HG22 VAL 66 HG22 VAL 66 13.749 -4.674 4.735 542 HG23 VAL 66 HG23 VAL 66 12.143 -4.053 4.354 543 H THR 67 HN THR 67 14.170 -3.012 3.743 544 HA THR 67 HA THR 67 12.876 -0.819 2.378 545 HB THR 67 HB THR 67 14.797 -2.975 1.614 546 HG1 THR 67 HG1 THR 67 14.794 -0.173 1.193 547 HG21 THR 67 HG21 THR 67 14.754 -2.111 -0.725 548 HG22 THR 67 HG22 THR 67 13.234 -1.302 -0.340 549 HG23 THR 67 HG23 THR 67 13.340 -3.062 -0.271 550 H PHE 68 HN PHE 68 11.199 -1.003 0.941 551 HA PHE 68 HA PHE 68 9.407 -3.215 1.369 552 HB2 PHE 68 HB2 PHE 68 9.207 -0.472 0.509 553 HB3 PHE 68 HB1 PHE 68 8.373 -1.512 -0.634 554 HD1 PHE 68 HD1 PHE 68 8.606 -2.414 2.911 555 HD2 PHE 68 HD2 PHE 68 6.226 -0.565 -0.089 556 HE1 PHE 68 HE1 PHE 68 6.653 -2.508 4.398 557 HE2 PHE 68 HE2 PHE 68 4.267 -0.670 1.381 558 HZ PHE 68 HZ PHE 68 4.481 -1.635 3.636 559 H ASN 69 HN ASN 69 8.419 -4.415 -0.343 560 HA ASN 69 HA ASN 69 9.879 -4.510 -2.871 561 HB2 ASN 69 HB2 ASN 69 9.970 -7.031 -2.688 562 HB3 ASN 69 HB1 ASN 69 11.063 -6.157 -1.619 563 HD21 ASN 69 HD21 ASN 69 10.577 -6.038 0.599 564 HD22 ASN 69 HD22 ASN 69 9.521 -7.182 1.347 565 H TYR 70 HN TYR 70 8.447 -4.431 -4.444 566 HA TYR 70 HA TYR 70 6.135 -6.145 -4.460 567 HB2 TYR 70 HB2 TYR 70 5.808 -3.570 -3.413 568 HB3 TYR 70 HB1 TYR 70 5.190 -3.466 -5.057 569 HD1 TYR 70 HD1 TYR 70 3.905 -5.979 -5.544 570 HD2 TYR 70 HD2 TYR 70 4.043 -3.724 -1.939 571 HE1 TYR 70 HE1 TYR 70 1.800 -7.023 -4.817 572 HE2 TYR 70 HE2 TYR 70 1.940 -4.762 -1.201 573 HH TYR 70 HH TYR 70 0.682 -6.915 -1.680 574 H ASN 71 HN ASN 71 7.868 -6.665 -6.159 575 HA ASN 71 HA ASN 71 7.738 -4.985 -8.526 576 HB2 ASN 71 HB2 ASN 71 9.089 -7.620 -8.665 577 HB3 ASN 71 HB1 ASN 71 9.620 -6.050 -9.256 578 HD21 ASN 71 HD21 ASN 71 10.945 -4.824 -8.022 579 HD22 ASN 71 HD22 ASN 71 11.560 -5.310 -6.484 580 H LEU 72 HN LEU 72 7.183 -8.444 -7.846 581 HA LEU 72 HA LEU 72 5.722 -9.948 -8.727 582 HB2 LEU 72 HB2 LEU 72 4.129 -8.034 -8.088 583 HB3 LEU 72 HB1 LEU 72 4.114 -7.645 -9.798 584 HG LEU 72 HG LEU 72 3.502 -10.453 -9.053 585 HD11 LEU 72 HD11 LEU 72 1.252 -10.007 -8.441 586 HD12 LEU 72 HD12 LEU 72 1.436 -8.284 -8.771 587 HD13 LEU 72 HD13 LEU 72 2.275 -9.015 -7.403 588 HD21 LEU 72 HD21 LEU 72 3.267 -10.257 -11.294 589 HD22 LEU 72 HD22 LEU 72 2.925 -8.529 -11.218 590 HD23 LEU 72 HD23 LEU 72 1.657 -9.696 -10.842 591 H ALA 73 HN ALA 73 6.208 -11.140 -10.433 592 HA ALA 73 HA ALA 73 7.577 -10.280 -12.674 593 HB1 ALA 73 HB1 ALA 73 5.766 -12.645 -12.874 594 HB2 ALA 73 HB2 ALA 73 7.122 -12.672 -11.747 595 HB3 ALA 73 HB3 ALA 73 7.413 -12.436 -13.470 596 H ASP 74 HN ASP 74 7.053 -9.442 -14.606 597 HA ASP 74 HA ASP 74 5.839 -8.471 -16.263 598 HB2 ASP 74 HB2 ASP 74 4.836 -10.958 -16.062 599 HB3 ASP 74 HB1 ASP 74 3.388 -10.035 -15.670 600 H GLY 75 HN GLY 75 5.687 -7.461 -13.484 601 HA2 GLY 75 HA2 GLY 75 3.154 -5.969 -13.761 602 HA3 GLY 75 HA1 GLY 75 3.742 -6.519 -12.199 603 H THR 76 HN THR 76 5.734 -5.599 -11.391 604 HA THR 76 HA THR 76 6.790 -3.250 -12.684 605 HB THR 76 HB THR 76 4.713 -2.458 -11.590 606 HG1 THR 76 HG1 THR 76 5.888 -0.732 -11.490 607 HG21 THR 76 HG21 THR 76 5.033 -4.108 -9.615 608 HG22 THR 76 HG22 THR 76 4.301 -2.526 -9.342 609 HG23 THR 76 HG23 THR 76 5.994 -2.797 -8.928 610 H GLU 77 HN GLU 77 8.001 -2.056 -10.518 611 HA GLU 77 HA GLU 77 9.403 -4.035 -8.949 612 HB2 GLU 77 HB2 GLU 77 10.603 -2.753 -11.340 613 HB3 GLU 77 HB1 GLU 77 11.611 -2.812 -9.901 614 HG2 GLU 77 HG2 GLU 77 11.603 -5.154 -9.854 615 HG3 GLU 77 HG1 GLU 77 10.247 -5.255 -10.976 616 H LEU 78 HN LEU 78 8.204 -2.632 -7.422 617 HA LEU 78 HA LEU 78 9.453 -0.014 -7.018 618 HB2 LEU 78 HB2 LEU 78 6.821 -1.211 -6.315 619 HB3 LEU 78 HB1 LEU 78 7.453 0.046 -5.279 620 HG LEU 78 HG LEU 78 7.664 0.867 -8.017 621 HD11 LEU 78 HD11 LEU 78 5.245 -0.584 -7.336 622 HD12 LEU 78 HD12 LEU 78 5.827 -0.028 -8.905 623 HD13 LEU 78 HD13 LEU 78 4.929 1.072 -7.854 624 HD21 LEU 78 HD21 LEU 78 6.160 1.885 -5.639 625 HD22 LEU 78 HD22 LEU 78 6.202 2.703 -7.200 626 HD23 LEU 78 HD23 LEU 78 7.694 2.469 -6.292 627 H ARG 79 HN ARG 79 11.007 0.142 -5.583 628 HA ARG 79 HA ARG 79 10.979 -1.614 -3.213 629 HB2 ARG 79 HB2 ARG 79 12.816 -1.755 -5.212 630 HB3 ARG 79 HB1 ARG 79 13.587 -0.589 -4.145 631 HG2 ARG 79 HG2 ARG 79 12.930 -2.439 -2.338 632 HG3 ARG 79 HG1 ARG 79 13.070 -3.474 -3.759 633 HD2 ARG 79 HD2 ARG 79 15.177 -3.237 -2.438 634 HD3 ARG 79 HD1 ARG 79 15.321 -2.779 -4.135 635 HE ARG 79 HE ARG 79 14.726 -0.547 -2.455 636 HH11 ARG 79 HH11 ARG 79 17.307 -2.611 -3.575 637 HH12 ARG 79 HH12 ARG 79 18.537 -1.417 -3.329 638 HH21 ARG 79 HH21 ARG 79 16.342 1.025 -2.131 639 HH22 ARG 79 HH22 ARG 79 17.990 0.647 -2.508 640 H GLY 80 HN GLY 80 10.695 -0.431 -1.390 641 HA2 GLY 80 HA2 GLY 80 12.126 2.128 -1.183 642 HA3 GLY 80 HA1 GLY 80 10.398 2.121 -0.903 643 H THR 81 HN THR 81 9.983 2.273 1.216 644 HA THR 81 HA THR 81 11.079 0.319 3.026 645 HB THR 81 HB THR 81 11.835 2.119 4.671 646 HG1 THR 81 HG1 THR 81 12.461 4.077 3.720 647 HG21 THR 81 HG21 THR 81 13.438 0.692 3.463 648 HG22 THR 81 HG22 THR 81 14.052 2.314 3.780 649 HG23 THR 81 HG23 THR 81 13.486 1.886 2.166 650 H TRP 82 HN TRP 82 10.313 0.879 5.354 651 HA TRP 82 HA TRP 82 7.725 2.248 5.418 652 HB2 TRP 82 HB2 TRP 82 7.864 -0.527 5.073 653 HB3 TRP 82 HB1 TRP 82 7.578 -0.324 6.798 654 HD1 TRP 82 HD1 TRP 82 6.058 1.234 3.575 655 HE1 TRP 82 HE1 TRP 82 3.502 1.294 3.861 656 HE3 TRP 82 HE3 TRP 82 5.718 -0.782 8.261 657 HZ2 TRP 82 HZ2 TRP 82 1.594 0.581 5.813 658 HZ3 TRP 82 HZ3 TRP 82 3.488 -1.058 9.264 659 HH2 TRP 82 HH2 TRP 82 1.471 -0.390 8.065 660 H SER 83 HN SER 83 7.573 3.376 7.287 661 HA SER 83 HA SER 83 9.041 2.414 9.634 662 HB2 SER 83 HB2 SER 83 9.336 5.101 8.315 663 HB3 SER 83 HB1 SER 83 9.656 4.895 10.037 664 HG SER 83 HG SER 83 11.347 4.484 8.154 665 H LEU 84 HN LEU 84 8.235 3.097 11.630 666 HA LEU 84 HA LEU 84 5.585 4.379 11.523 667 HB2 LEU 84 HB2 LEU 84 5.990 1.804 12.201 668 HB3 LEU 84 HB1 LEU 84 6.182 2.556 13.771 669 HG LEU 84 HG LEU 84 3.801 3.425 12.278 670 HD11 LEU 84 HD11 LEU 84 3.932 1.032 11.659 671 HD12 LEU 84 HD12 LEU 84 2.531 1.420 12.657 672 HD13 LEU 84 HD13 LEU 84 3.930 0.622 13.374 673 HD21 LEU 84 HD21 LEU 84 3.734 4.202 14.412 674 HD22 LEU 84 HD22 LEU 84 4.627 2.826 15.060 675 HD23 LEU 84 HD23 LEU 84 2.917 2.660 14.665 676 H GLU 85 HN GLU 85 5.416 6.181 12.638 677 HA GLU 85 HA GLU 85 7.419 6.742 14.725 678 HB2 GLU 85 HB2 GLU 85 5.876 8.777 13.113 679 HB3 GLU 85 HB1 GLU 85 7.231 9.080 14.191 680 HG2 GLU 85 HG2 GLU 85 7.716 7.222 11.950 681 HG3 GLU 85 HG1 GLU 85 7.471 8.919 11.539 682 H GLY 86 HN GLY 86 6.303 5.986 16.500 683 HA2 GLY 86 HA2 GLY 86 4.808 6.068 18.243 684 HA3 GLY 86 HA1 GLY 86 4.459 7.710 17.728 685 H ASN 87 HN ASN 87 2.598 8.139 16.694 686 HA ASN 87 HA ASN 87 0.783 5.867 16.288 687 HB2 ASN 87 HB2 ASN 87 0.382 8.688 17.150 688 HB3 ASN 87 HB1 ASN 87 -0.901 7.940 16.204 689 HD21 ASN 87 HD21 ASN 87 -1.388 5.615 16.997 690 HD22 ASN 87 HD22 ASN 87 -1.598 5.457 18.704 691 H LYS 88 HN LYS 88 2.867 7.037 14.415 692 HA LYS 88 HA LYS 88 1.053 7.502 12.142 693 HB2 LYS 88 HB2 LYS 88 3.775 8.730 12.610 694 HB3 LYS 88 HB1 LYS 88 2.828 8.912 11.140 695 HG2 LYS 88 HG2 LYS 88 2.116 10.797 12.111 696 HG3 LYS 88 HG1 LYS 88 1.035 9.720 12.999 697 HD2 LYS 88 HD2 LYS 88 2.072 11.120 14.610 698 HD3 LYS 88 HD1 LYS 88 2.842 9.538 14.748 699 HE2 LYS 88 HE2 LYS 88 4.682 10.370 13.303 700 HE3 LYS 88 HE1 LYS 88 3.932 11.966 13.331 701 HZ1 LYS 88 HZ1 LYS 88 4.418 10.736 15.919 702 HZ2 LYS 88 HZ2 LYS 88 4.608 12.344 15.431 703 HZ3 LYS 88 HZ3 LYS 88 5.796 11.200 15.053 704 H LEU 89 HN LEU 89 1.634 6.604 10.157 705 HA LEU 89 HA LEU 89 3.843 4.657 10.205 706 HB2 LEU 89 HB2 LEU 89 1.840 3.389 10.543 707 HB3 LEU 89 HB1 LEU 89 1.004 4.252 9.271 708 HG LEU 89 HG LEU 89 1.715 1.881 8.754 709 HD11 LEU 89 HD11 LEU 89 1.430 2.502 6.651 710 HD12 LEU 89 HD12 LEU 89 3.030 3.242 6.607 711 HD13 LEU 89 HD13 LEU 89 1.638 4.180 7.148 712 HD21 LEU 89 HD21 LEU 89 4.185 1.964 7.820 713 HD22 LEU 89 HD22 LEU 89 3.840 1.525 9.492 714 HD23 LEU 89 HD23 LEU 89 4.376 3.156 9.102 715 H ILE 90 HN ILE 90 5.184 4.822 8.498 716 HA ILE 90 HA ILE 90 4.185 6.210 6.100 717 HB ILE 90 HB ILE 90 7.062 6.471 6.869 718 HG12 ILE 90 HG12 ILE 90 6.072 8.808 7.797 719 HG13 ILE 90 HG11 ILE 90 4.746 7.735 8.232 720 HG21 ILE 90 HG21 ILE 90 6.478 7.213 4.683 721 HG22 ILE 90 HG22 ILE 90 6.737 8.648 5.675 722 HG23 ILE 90 HG23 ILE 90 5.097 8.123 5.295 723 HD11 ILE 90 HD11 ILE 90 6.506 8.117 9.992 724 HD12 ILE 90 HD12 ILE 90 7.597 7.171 8.979 725 HD13 ILE 90 HD13 ILE 90 6.130 6.434 9.624 726 H GLY 91 HN GLY 91 4.677 5.371 4.185 727 HA2 GLY 91 HA2 GLY 91 6.571 3.126 4.045 728 HA3 GLY 91 HA1 GLY 91 4.974 3.017 3.310 729 H LYS 92 HN LYS 92 7.481 2.773 1.913 730 HA LYS 92 HA LYS 92 7.039 4.843 -0.070 731 HB2 LYS 92 HB2 LYS 92 9.622 4.499 1.439 732 HB3 LYS 92 HB1 LYS 92 9.560 5.248 -0.144 733 HG2 LYS 92 HG2 LYS 92 9.104 7.187 0.810 734 HG3 LYS 92 HG1 LYS 92 7.596 6.519 1.424 735 HD2 LYS 92 HD2 LYS 92 10.285 6.461 2.793 736 HD3 LYS 92 HD1 LYS 92 8.890 7.437 3.254 737 HE2 LYS 92 HE2 LYS 92 7.682 5.566 3.983 738 HE3 LYS 92 HE1 LYS 92 8.751 4.440 3.149 739 HZ1 LYS 92 HZ1 LYS 92 10.488 5.563 4.777 740 HZ2 LYS 92 HZ2 LYS 92 9.562 4.223 5.234 741 HZ3 LYS 92 HZ3 LYS 92 9.097 5.776 5.717 742 H PHE 93 HN PHE 93 8.144 4.433 -2.086 743 HA PHE 93 HA PHE 93 9.290 1.765 -2.442 744 HB2 PHE 93 HB2 PHE 93 6.903 2.804 -3.985 745 HB3 PHE 93 HB1 PHE 93 7.984 1.589 -4.612 746 HD1 PHE 93 HD1 PHE 93 8.234 -0.586 -3.371 747 HD2 PHE 93 HD2 PHE 93 5.097 2.191 -2.572 748 HE1 PHE 93 HE1 PHE 93 6.906 -2.382 -2.347 749 HE2 PHE 93 HE2 PHE 93 3.779 0.396 -1.539 750 HZ PHE 93 HZ PHE 93 4.673 -1.894 -1.434 751 H LYS 94 HN LYS 94 10.121 1.573 -4.758 752 HA LYS 94 HA LYS 94 10.743 4.053 -6.079 753 HB2 LYS 94 HB2 LYS 94 12.797 2.552 -4.552 754 HB3 LYS 94 HB1 LYS 94 13.262 3.154 -6.133 755 HG2 LYS 94 HG2 LYS 94 11.899 5.070 -4.355 756 HG3 LYS 94 HG1 LYS 94 13.521 4.568 -3.889 757 HD2 LYS 94 HD2 LYS 94 13.100 5.308 -6.723 758 HD3 LYS 94 HD1 LYS 94 13.065 6.615 -5.542 759 HE2 LYS 94 HE2 LYS 94 15.302 4.725 -6.190 760 HE3 LYS 94 HE1 LYS 94 15.293 6.487 -6.253 761 HZ1 LYS 94 HZ1 LYS 94 15.628 4.712 -3.959 762 HZ2 LYS 94 HZ2 LYS 94 14.796 6.160 -3.696 763 HZ3 LYS 94 HZ3 LYS 94 16.375 6.191 -4.301 764 H ARG 95 HN ARG 95 10.585 3.732 -8.180 765 HA ARG 95 HA ARG 95 10.291 1.076 -9.220 766 HB2 ARG 95 HB2 ARG 95 9.967 3.825 -10.261 767 HB3 ARG 95 HB1 ARG 95 10.353 2.590 -11.448 768 HG2 ARG 95 HG2 ARG 95 8.367 1.399 -9.993 769 HG3 ARG 95 HG1 ARG 95 7.875 3.093 -10.001 770 HD2 ARG 95 HD2 ARG 95 6.885 2.140 -11.913 771 HD3 ARG 95 HD1 ARG 95 8.274 3.051 -12.503 772 HE ARG 95 HE ARG 95 9.190 0.491 -12.098 773 HH11 ARG 95 HH11 ARG 95 6.695 1.990 -14.024 774 HH12 ARG 95 HH12 ARG 95 6.778 0.802 -15.281 775 HH21 ARG 95 HH21 ARG 95 9.301 -1.072 -13.751 776 HH22 ARG 95 HH22 ARG 95 8.257 -0.937 -15.126 777 H THR 96 HN THR 96 11.566 -0.009 -10.656 778 HA THR 96 HA THR 96 14.381 0.547 -10.490 779 HB THR 96 HB THR 96 12.664 -1.697 -11.165 780 HG1 THR 96 HG1 THR 96 14.107 -1.590 -9.387 781 HG21 THR 96 HG21 THR 96 13.474 -1.714 -13.363 782 HG22 THR 96 HG22 THR 96 14.487 -2.863 -12.489 783 HG23 THR 96 HG23 THR 96 15.099 -1.251 -12.857 784 H ASP 97 HN ASP 97 11.845 1.157 -12.737 785 HA ASP 97 HA ASP 97 13.100 1.198 -15.184 786 HB2 ASP 97 HB2 ASP 97 10.702 1.639 -14.869 787 HB3 ASP 97 HB1 ASP 97 11.080 3.198 -14.143 788 H ASN 98 HN ASN 98 13.238 3.611 -12.616 789 HA ASN 98 HA ASN 98 15.729 4.623 -13.579 790 HB2 ASN 98 HB2 ASN 98 13.680 5.747 -14.900 791 HB3 ASN 98 HB1 ASN 98 13.700 6.793 -13.483 792 HD21 ASN 98 HD21 ASN 98 16.024 7.475 -12.871 793 HD22 ASN 98 HD22 ASN 98 16.986 8.054 -14.184 794 H GLY 99 HN GLY 99 14.572 3.509 -11.151 795 HA2 GLY 99 HA2 GLY 99 14.631 3.836 -8.883 796 HA3 GLY 99 HA1 GLY 99 15.840 5.060 -9.224 797 H ASN 100 HN ASN 100 12.468 5.113 -10.267 798 HA ASN 100 HA ASN 100 12.075 7.767 -9.394 799 HB2 ASN 100 HB2 ASN 100 10.094 5.608 -10.124 800 HB3 ASN 100 HB1 ASN 100 9.644 7.279 -9.817 801 HD21 ASN 100 HD21 ASN 100 11.607 8.673 -11.056 802 HD22 ASN 100 HD22 ASN 100 11.584 8.362 -12.755 803 H GLU 101 HN GLU 101 11.279 8.593 -7.524 804 HA GLU 101 HA GLU 101 11.229 6.868 -5.232 805 HB2 GLU 101 HB2 GLU 101 11.039 9.845 -5.604 806 HB3 GLU 101 HB1 GLU 101 10.792 9.088 -4.036 807 HG2 GLU 101 HG2 GLU 101 13.266 8.580 -5.641 808 HG3 GLU 101 HG1 GLU 101 13.110 9.989 -4.597 809 H LEU 102 HN LEU 102 9.573 6.639 -3.783 810 HA LEU 102 HA LEU 102 6.922 7.583 -4.549 811 HB2 LEU 102 HB2 LEU 102 7.431 5.327 -5.570 812 HB3 LEU 102 HB1 LEU 102 7.430 4.684 -3.939 813 HG LEU 102 HG LEU 102 5.022 6.222 -4.676 814 HD11 LEU 102 HD11 LEU 102 5.917 4.556 -6.621 815 HD12 LEU 102 HD12 LEU 102 4.230 4.982 -6.344 816 HD13 LEU 102 HD13 LEU 102 4.882 3.488 -5.674 817 HD21 LEU 102 HD21 LEU 102 4.388 5.179 -2.826 818 HD22 LEU 102 HD22 LEU 102 5.843 4.184 -2.834 819 HD23 LEU 102 HD23 LEU 102 4.415 3.663 -3.728 820 H ASN 103 HN ASN 103 6.255 8.618 -2.790 821 HA ASN 103 HA ASN 103 7.008 7.593 -0.152 822 HB2 ASN 103 HB2 ASN 103 5.746 10.275 -0.699 823 HB3 ASN 103 HB1 ASN 103 6.692 9.774 0.701 824 HD21 ASN 103 HD21 ASN 103 8.924 9.703 0.562 825 HD22 ASN 103 HD22 ASN 103 9.794 10.462 -0.724 826 H THR 104 HN THR 104 5.495 7.398 1.501 827 HA THR 104 HA THR 104 2.670 7.611 0.849 828 HB THR 104 HB THR 104 2.097 5.395 1.128 829 HG1 THR 104 HG1 THR 104 2.934 4.206 2.628 830 HG21 THR 104 HG21 THR 104 3.675 5.630 -0.839 831 HG22 THR 104 HG22 THR 104 3.419 4.004 -0.206 832 HG23 THR 104 HG23 THR 104 4.896 4.882 0.189 833 H VAL 105 HN VAL 105 1.781 8.698 2.459 834 HA VAL 105 HA VAL 105 2.885 8.354 5.169 835 HB VAL 105 HB VAL 105 1.347 10.744 4.153 836 HG11 VAL 105 HG11 VAL 105 1.157 11.035 6.377 837 HG12 VAL 105 HG12 VAL 105 2.823 11.600 6.251 838 HG13 VAL 105 HG13 VAL 105 2.489 9.938 6.740 839 HG21 VAL 105 HG21 VAL 105 4.229 10.070 4.014 840 HG22 VAL 105 HG22 VAL 105 3.807 11.720 4.470 841 HG23 VAL 105 HG23 VAL 105 3.241 11.057 2.937 842 H ARG 106 HN ARG 106 1.626 7.263 6.510 843 HA ARG 106 HA ARG 106 -1.289 7.344 6.089 844 HB2 ARG 106 HB2 ARG 106 0.241 5.128 6.000 845 HB3 ARG 106 HB1 ARG 106 -0.112 5.169 7.722 846 HG2 ARG 106 HG2 ARG 106 -2.574 5.481 6.922 847 HG3 ARG 106 HG1 ARG 106 -1.962 4.791 5.418 848 HD2 ARG 106 HD2 ARG 106 -1.175 3.381 7.881 849 HD3 ARG 106 HD1 ARG 106 -2.894 3.329 7.491 850 HE ARG 106 HE ARG 106 -1.716 2.669 5.151 851 HH11 ARG 106 HH11 ARG 106 -1.379 1.462 8.408 852 HH12 ARG 106 HH12 ARG 106 -0.974 -0.144 7.904 853 HH21 ARG 106 HH21 ARG 106 -1.183 0.557 4.487 854 HH22 ARG 106 HH22 ARG 106 -0.862 -0.659 5.678 855 H GLU 107 HN GLU 107 -2.319 8.530 7.538 856 HA GLU 107 HA GLU 107 -1.227 8.686 10.272 857 HB2 GLU 107 HB2 GLU 107 -3.133 10.745 9.260 858 HB3 GLU 107 HB1 GLU 107 -1.832 10.905 10.430 859 HG2 GLU 107 HG2 GLU 107 -1.447 10.588 7.461 860 HG3 GLU 107 HG1 GLU 107 -1.417 12.122 8.330 861 H ILE 108 HN ILE 108 -2.547 8.221 11.972 862 HA ILE 108 HA ILE 108 -4.970 6.802 11.409 863 HB ILE 108 HB ILE 108 -4.012 7.679 14.131 864 HG12 ILE 108 HG12 ILE 108 -2.265 6.430 12.758 865 HG13 ILE 108 HG11 ILE 108 -2.690 5.717 14.310 866 HG21 ILE 108 HG21 ILE 108 -5.644 5.267 13.361 867 HG22 ILE 108 HG22 ILE 108 -6.350 6.806 13.857 868 HG23 ILE 108 HG23 ILE 108 -5.337 5.895 14.980 869 HD11 ILE 108 HD11 ILE 108 -4.343 4.693 12.178 870 HD12 ILE 108 HD12 ILE 108 -3.347 3.831 13.348 871 HD13 ILE 108 HD13 ILE 108 -2.628 4.446 11.860 872 H ILE 109 HN ILE 109 -6.242 8.447 10.403 873 HA ILE 109 HA ILE 109 -6.991 10.794 11.863 874 HB ILE 109 HB ILE 109 -6.999 10.385 9.279 875 HG12 ILE 109 HG12 ILE 109 -8.653 12.165 9.000 876 HG13 ILE 109 HG11 ILE 109 -9.259 11.875 10.628 877 HG21 ILE 109 HG21 ILE 109 -8.549 8.461 9.424 878 HG22 ILE 109 HG22 ILE 109 -9.112 9.739 8.345 879 HG23 ILE 109 HG23 ILE 109 -9.814 9.570 9.956 880 HD11 ILE 109 HD11 ILE 109 -7.532 13.801 10.070 881 HD12 ILE 109 HD12 ILE 109 -6.381 12.493 10.340 882 HD13 ILE 109 HD13 ILE 109 -7.520 12.942 11.610 883 H GLY 110 HN GLY 110 -8.370 10.808 13.530 884 HA2 GLY 110 HA2 GLY 110 -9.991 10.072 14.997 885 HA3 GLY 110 HA1 GLY 110 -10.925 9.777 13.549 886 H ASP 111 HN ASP 111 -11.689 7.846 13.459 887 HA ASP 111 HA ASP 111 -10.256 5.621 14.729 888 HB2 ASP 111 HB2 ASP 111 -12.830 6.333 15.104 889 HB3 ASP 111 HB1 ASP 111 -13.029 5.231 13.744 890 H GLU 112 HN GLU 112 -10.000 6.949 11.949 891 HA GLU 112 HA GLU 112 -9.971 4.428 10.436 892 HB2 GLU 112 HB2 GLU 112 -10.648 7.062 9.144 893 HB3 GLU 112 HB1 GLU 112 -10.868 5.442 8.503 894 HG2 GLU 112 HG2 GLU 112 -12.670 5.017 10.009 895 HG3 GLU 112 HG1 GLU 112 -12.369 6.528 10.861 896 H LEU 113 HN LEU 113 -8.686 4.915 8.274 897 HA LEU 113 HA LEU 113 -6.257 6.390 9.060 898 HB2 LEU 113 HB2 LEU 113 -6.611 3.710 7.825 899 HB3 LEU 113 HB1 LEU 113 -5.224 4.659 7.335 900 HG LEU 113 HG LEU 113 -4.912 2.978 9.234 901 HD11 LEU 113 HD11 LEU 113 -3.079 4.128 9.790 902 HD12 LEU 113 HD12 LEU 113 -4.002 5.539 10.307 903 HD13 LEU 113 HD13 LEU 113 -3.641 5.300 8.599 904 HD21 LEU 113 HD21 LEU 113 -5.996 5.141 10.987 905 HD22 LEU 113 HD22 LEU 113 -5.679 3.448 11.363 906 HD23 LEU 113 HD23 LEU 113 -7.062 3.884 10.359 907 H VAL 114 HN VAL 114 -5.528 7.901 7.745 908 HA VAL 114 HA VAL 114 -6.775 8.163 5.083 909 HB VAL 114 HB VAL 114 -7.146 10.113 6.488 910 HG11 VAL 114 HG11 VAL 114 -4.574 9.573 7.464 911 HG12 VAL 114 HG12 VAL 114 -5.662 10.871 7.955 912 HG13 VAL 114 HG13 VAL 114 -4.475 11.149 6.681 913 HG21 VAL 114 HG21 VAL 114 -6.205 10.182 3.948 914 HG22 VAL 114 HG22 VAL 114 -5.058 11.248 4.759 915 HG23 VAL 114 HG23 VAL 114 -6.786 11.593 4.833 916 H GLN 115 HN GLN 115 -5.518 7.213 3.607 917 HA GLN 115 HA GLN 115 -2.624 7.247 3.925 918 HB2 GLN 115 HB2 GLN 115 -4.135 5.888 1.712 919 HB3 GLN 115 HB1 GLN 115 -2.541 5.502 2.345 920 HG2 GLN 115 HG2 GLN 115 -4.112 5.182 4.550 921 HG3 GLN 115 HG1 GLN 115 -5.183 4.653 3.253 922 HE21 GLN 115 HE21 GLN 115 -5.144 2.535 3.101 923 HE22 GLN 115 HE22 GLN 115 -3.744 1.528 3.204 924 H THR 116 HN THR 116 -1.208 8.211 2.608 925 HA THR 116 HA THR 116 -2.161 9.618 0.220 926 HB THR 116 HB THR 116 -0.183 11.034 1.928 927 HG1 THR 116 HG1 THR 116 -1.724 11.856 3.263 928 HG21 THR 116 HG21 THR 116 -1.483 11.699 -0.366 929 HG22 THR 116 HG22 THR 116 -0.734 12.838 0.752 930 HG23 THR 116 HG23 THR 116 -2.461 12.500 0.863 931 H TYR 117 HN TYR 117 -0.987 8.822 -1.395 932 HA TYR 117 HA TYR 117 1.835 8.157 -0.887 933 HB2 TYR 117 HB2 TYR 117 0.101 6.996 -3.066 934 HB3 TYR 117 HB1 TYR 117 1.683 6.438 -2.544 935 HD1 TYR 117 HD2 TYR 117 -1.762 6.943 -1.168 936 HD2 TYR 117 HD1 TYR 117 1.775 4.584 -1.183 937 HE1 TYR 117 HE2 TYR 117 -2.842 5.326 0.326 938 HE2 TYR 117 HE1 TYR 117 0.704 2.958 0.316 939 HH TYR 117 HH TYR 117 -2.656 3.022 0.994 940 H VAL 118 HN VAL 118 3.326 8.540 -2.670 941 HA VAL 118 HA VAL 118 2.401 10.208 -4.842 942 HB VAL 118 HB VAL 118 2.898 11.767 -2.918 943 HG11 VAL 118 HG11 VAL 118 4.898 11.877 -1.908 944 HG12 VAL 118 HG12 VAL 118 5.785 11.600 -3.407 945 HG13 VAL 118 HG13 VAL 118 5.103 10.236 -2.521 946 HG21 VAL 118 HG21 VAL 118 4.067 11.867 -5.629 947 HG22 VAL 118 HG22 VAL 118 4.609 13.092 -4.483 948 HG23 VAL 118 HG23 VAL 118 2.894 12.934 -4.860 949 H TYR 119 HN TYR 119 3.497 9.778 -6.651 950 HA TYR 119 HA TYR 119 6.245 8.797 -6.481 951 HB2 TYR 119 HB2 TYR 119 5.042 6.753 -6.599 952 HB3 TYR 119 HB1 TYR 119 3.972 7.361 -7.845 953 HD1 TYR 119 HD2 TYR 119 7.267 5.993 -7.130 954 HD2 TYR 119 HD1 TYR 119 4.711 7.458 -10.187 955 HE1 TYR 119 HE2 TYR 119 8.744 4.998 -8.815 956 HE2 TYR 119 HE1 TYR 119 6.186 6.458 -11.888 957 HH TYR 119 HH TYR 119 8.475 5.724 -12.142 958 H GLU 120 HN GLU 120 7.417 10.073 -7.682 959 HA GLU 120 HA GLU 120 7.799 11.870 -9.108 960 HB2 GLU 120 HB2 GLU 120 7.396 9.370 -10.725 961 HB3 GLU 120 HB1 GLU 120 8.040 10.847 -11.418 962 HG2 GLU 120 HG2 GLU 120 9.276 9.660 -8.978 963 HG3 GLU 120 HG1 GLU 120 9.657 9.030 -10.576 964 H GLY 121 HN GLY 121 6.081 13.339 -8.954 965 HA2 GLY 121 HA2 GLY 121 4.631 14.730 -10.119 966 HA3 GLY 121 HA1 GLY 121 4.533 13.527 -11.380 967 H VAL 122 HN VAL 122 3.641 11.350 -9.701 968 HA VAL 122 HA VAL 122 0.868 12.213 -9.465 969 HB VAL 122 HB VAL 122 2.191 9.561 -9.855 970 HG11 VAL 122 HG11 VAL 122 -0.311 9.974 -8.385 971 HG12 VAL 122 HG12 VAL 122 0.836 8.639 -8.373 972 HG13 VAL 122 HG13 VAL 122 -0.345 8.769 -9.672 973 HG21 VAL 122 HG21 VAL 122 -0.154 10.916 -11.177 974 HG22 VAL 122 HG22 VAL 122 0.619 9.420 -11.701 975 HG23 VAL 122 HG23 VAL 122 1.503 10.945 -11.767 976 H GLU 123 HN GLU 123 -0.411 11.945 -7.719 977 HA GLU 123 HA GLU 123 0.711 10.918 -5.231 978 HB2 GLU 123 HB2 GLU 123 0.835 13.560 -5.582 979 HB3 GLU 123 HB1 GLU 123 -0.843 13.457 -5.067 980 HG2 GLU 123 HG2 GLU 123 -0.303 12.859 -2.948 981 HG3 GLU 123 HG1 GLU 123 1.164 12.026 -3.436 982 H ALA 124 HN ALA 124 -0.697 9.437 -4.529 983 HA ALA 124 HA ALA 124 -3.552 9.891 -5.055 984 HB1 ALA 124 HB1 ALA 124 -3.885 7.534 -5.373 985 HB2 ALA 124 HB2 ALA 124 -2.225 7.189 -4.881 986 HB3 ALA 124 HB3 ALA 124 -2.536 8.037 -6.396 987 H LYS 125 HN LYS 125 -4.965 9.704 -3.435 988 HA LYS 125 HA LYS 125 -3.873 9.055 -0.779 989 HB2 LYS 125 HB2 LYS 125 -5.871 11.027 -1.755 990 HB3 LYS 125 HB1 LYS 125 -6.206 10.274 -0.202 991 HG2 LYS 125 HG2 LYS 125 -4.446 11.287 0.827 992 HG3 LYS 125 HG1 LYS 125 -3.491 11.377 -0.654 993 HD2 LYS 125 HD2 LYS 125 -5.965 13.026 -0.172 994 HD3 LYS 125 HD1 LYS 125 -4.337 13.580 0.221 995 HE2 LYS 125 HE2 LYS 125 -3.794 13.930 -1.941 996 HE3 LYS 125 HE1 LYS 125 -4.691 12.519 -2.502 997 HZ1 LYS 125 HZ1 LYS 125 -6.684 13.713 -2.525 998 HZ2 LYS 125 HZ2 LYS 125 -5.554 14.782 -3.190 999 HZ3 LYS 125 HZ3 LYS 125 -6.060 14.977 -1.588 1000 H ARG 126 HN ARG 126 -5.517 8.036 0.735 1001 HA ARG 126 HA ARG 126 -7.665 6.580 -0.518 1002 HB2 ARG 126 HB2 ARG 126 -5.810 5.200 -1.205 1003 HB3 ARG 126 HB1 ARG 126 -5.181 5.150 0.428 1004 HG2 ARG 126 HG2 ARG 126 -7.628 4.116 0.850 1005 HG3 ARG 126 HG1 ARG 126 -7.350 3.599 -0.814 1006 HD2 ARG 126 HD2 ARG 126 -5.203 3.227 1.227 1007 HD3 ARG 126 HD1 ARG 126 -6.563 2.107 1.183 1008 HE ARG 126 HE ARG 126 -5.258 2.543 -1.357 1009 HH11 ARG 126 HH11 ARG 126 -5.383 0.597 1.540 1010 HH12 ARG 126 HH12 ARG 126 -4.609 -0.765 0.803 1011 HH21 ARG 126 HH21 ARG 126 -4.237 0.755 -2.319 1012 HH22 ARG 126 HH22 ARG 126 -3.956 -0.676 -1.385 1013 H ILE 127 HN ILE 127 -9.244 6.690 0.919 1014 HA ILE 127 HA ILE 127 -8.699 6.949 3.748 1015 HB ILE 127 HB ILE 127 -11.459 6.475 2.704 1016 HG12 ILE 127 HG12 ILE 127 -10.578 8.089 1.111 1017 HG13 ILE 127 HG11 ILE 127 -11.682 8.902 2.215 1018 HG21 ILE 127 HG21 ILE 127 -10.625 8.529 4.705 1019 HG22 ILE 127 HG22 ILE 127 -10.706 6.827 5.159 1020 HG23 ILE 127 HG23 ILE 127 -12.148 7.651 4.567 1021 HD11 ILE 127 HD11 ILE 127 -9.240 9.801 1.535 1022 HD12 ILE 127 HD12 ILE 127 -8.870 8.932 3.024 1023 HD13 ILE 127 HD13 ILE 127 -10.076 10.219 3.029 1024 H PHE 128 HN PHE 128 -8.977 5.369 5.274 1025 HA PHE 128 HA PHE 128 -9.651 2.705 4.222 1026 HB2 PHE 128 HB2 PHE 128 -7.379 2.599 4.751 1027 HB3 PHE 128 HB1 PHE 128 -7.571 3.594 6.191 1028 HD1 PHE 128 HD1 PHE 128 -8.221 0.260 4.758 1029 HD2 PHE 128 HD2 PHE 128 -8.036 2.622 8.292 1030 HE1 PHE 128 HE1 PHE 128 -8.427 -1.741 6.109 1031 HE2 PHE 128 HE2 PHE 128 -8.224 0.582 9.654 1032 HZ PHE 128 HZ PHE 128 -8.433 -1.605 8.563 1033 H LYS 129 HN LYS 129 -10.645 1.209 5.579 1034 HA LYS 129 HA LYS 129 -11.850 2.142 8.063 1035 HB2 LYS 129 HB2 LYS 129 -13.479 0.965 5.800 1036 HB3 LYS 129 HB1 LYS 129 -14.081 1.345 7.406 1037 HG2 LYS 129 HG2 LYS 129 -12.947 3.380 5.504 1038 HG3 LYS 129 HG1 LYS 129 -14.666 3.024 5.677 1039 HD2 LYS 129 HD2 LYS 129 -13.194 3.617 8.169 1040 HD3 LYS 129 HD1 LYS 129 -13.407 4.964 7.048 1041 HE2 LYS 129 HE2 LYS 129 -15.763 3.257 7.662 1042 HE3 LYS 129 HE1 LYS 129 -15.210 4.385 8.899 1043 HZ1 LYS 129 HZ1 LYS 129 -15.864 6.159 7.701 1044 HZ2 LYS 129 HZ2 LYS 129 -16.918 5.047 6.983 1045 HZ3 LYS 129 HZ3 LYS 129 -15.471 5.460 6.211 1046 H LYS 130 HN LYS 130 -12.803 0.274 9.285 1047 HA LYS 130 HA LYS 130 -11.211 -2.124 8.707 1048 HB2 LYS 130 HB2 LYS 130 -11.532 -2.723 11.058 1049 HB3 LYS 130 HB1 LYS 130 -10.780 -1.144 10.876 1050 HG2 LYS 130 HG2 LYS 130 -13.414 -0.475 11.012 1051 HG3 LYS 130 HG1 LYS 130 -13.347 -1.885 12.071 1052 HD2 LYS 130 HD2 LYS 130 -11.158 -0.567 12.915 1053 HD3 LYS 130 HD1 LYS 130 -12.153 0.796 12.398 1054 HE2 LYS 130 HE2 LYS 130 -12.920 0.613 14.526 1055 HE3 LYS 130 HE1 LYS 130 -13.999 -0.552 13.760 1056 HZ1 LYS 130 HZ1 LYS 130 -11.424 -1.501 14.789 1057 HZ2 LYS 130 HZ2 LYS 130 -12.904 -2.312 14.679 1058 HZ3 LYS 130 HZ3 LYS 130 -12.657 -1.167 15.899 1059 H ASP 131 HN ASP 131 -12.075 -4.196 8.915 1060 HA ASP 131 HA ASP 131 -14.685 -4.491 7.830 1061 HB2 ASP 131 HB2 ASP 131 -12.525 -6.000 7.661 1062 HB3 ASP 131 HB1 ASP 131 -13.224 -6.787 9.072 1063 H2 KTR 201 H6 KET 1 -1.809 1.177 -5.071 1064 H3 KTR 201 H31 KET 1 2.057 -0.941 -2.292 1065 H4 KTR 201 H32 KET 1 2.738 0.131 -3.523 1066 H5 KTR 201 H21 KET 1 1.071 0.765 -1.177 1067 H6 KTR 201 H22 KET 1 2.358 1.718 -1.946 1068 H7 KTR 201 H1 KET 1 -0.255 2.287 -2.418 1069 H8 KTR 201 H11 KET 1 0.728 -5.244 -5.820 1070 H9 KTR 201 H13 KET 1 1.394 -5.998 -8.077 1071 H10 KTR 201 H15 KET 1 2.202 -4.355 -9.736 1072 H11 KTR 201 H14 KET 1 2.346 -1.963 -9.132 1073 H12 KTR 201 H12 KET 1 1.680 -1.221 -6.876 1074 H13 KTR 201 H7 KET 1 -1.501 -1.346 -5.916
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