NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
632098 | 6gdl | 34263 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 0.054 -19.264 18.246 2 H2 ALA 1 H2 ALA 1 -0.030 -20.343 17.044 3 H3 ALA 1 H3 ALA 1 -1.277 -19.356 17.333 4 HA ALA 1 HA ALA 1 -0.015 -17.514 16.683 5 HB1 ALA 1 HB1 ALA 1 2.202 -18.317 17.307 6 HB2 ALA 1 HB2 ALA 1 2.235 -17.797 15.775 7 HB3 ALA 1 HB3 ALA 1 2.163 -19.381 16.091 8 H ASP 2 H ASP 2 -0.013 -16.731 14.536 9 HA ASP 2 HA ASP 2 -1.527 -18.418 12.794 10 HB2 ASP 2 HB2 ASP 2 -0.684 -15.682 12.424 11 HB3 ASP 2 HB3 ASP 2 -1.851 -16.434 11.563 12 H GLN 3 H GLN 3 -0.961 -18.548 10.414 13 HA GLN 3 HA GLN 3 1.887 -18.667 10.130 14 HB2 GLN 3 HB2 GLN 3 1.019 -20.904 10.556 15 HB3 GLN 3 HB3 GLN 3 0.090 -20.770 9.219 16 HG2 GLN 3 HG2 GLN 3 1.875 -22.100 8.615 17 HG3 GLN 3 HG3 GLN 3 2.153 -20.648 7.922 18 HE21 GLN 3 HE21 GLN 3 4.143 -19.825 8.071 19 HE22 GLN 3 HE22 GLN 3 5.264 -20.251 9.321 20 H LEU 4 H LEU 4 2.721 -17.704 8.430 21 HA LEU 4 HA LEU 4 1.144 -17.520 5.989 22 HB2 LEU 4 HB2 LEU 4 2.803 -15.439 7.036 23 HB3 LEU 4 HB3 LEU 4 2.115 -15.416 5.556 24 HG LEU 4 HG LEU 4 0.637 -15.285 8.018 25 HD11 LEU 4 HD11 LEU 4 0.306 -12.951 7.425 26 HD12 LEU 4 HD12 LEU 4 1.242 -13.153 6.122 27 HD13 LEU 4 HD13 LEU 4 1.884 -13.253 7.603 28 HD21 LEU 4 HD21 LEU 4 -1.275 -14.758 6.697 29 HD22 LEU 4 HD22 LEU 4 -0.720 -16.230 6.318 30 HD23 LEU 4 HD23 LEU 4 -0.412 -14.973 5.348 31 H THR 5 H THR 5 2.720 -17.399 4.045 32 HA THR 5 HA THR 5 4.954 -19.078 4.599 33 HB THR 5 HB THR 5 5.223 -19.063 2.151 34 HG1 THR 5 HG1 THR 5 3.407 -18.189 1.029 35 HG21 THR 5 HG21 THR 5 3.259 -20.402 1.739 36 HG22 THR 5 HG22 THR 5 2.569 -19.829 3.085 37 HG23 THR 5 HG23 THR 5 3.858 -20.802 3.187 38 H GLU 6 H GLU 6 7.193 -18.567 4.038 39 HA GLU 6 HA GLU 6 7.803 -16.068 4.944 40 HB2 GLU 6 HB2 GLU 6 9.516 -17.966 3.550 41 HB3 GLU 6 HB3 GLU 6 10.124 -16.667 4.332 42 HG2 GLU 6 HG2 GLU 6 9.324 -17.536 6.390 43 HG3 GLU 6 HG3 GLU 6 8.726 -18.838 5.606 44 H GLU 7 H GLU 7 7.677 -17.101 1.635 45 HA GLU 7 HA GLU 7 8.899 -14.780 0.714 46 HB2 GLU 7 HB2 GLU 7 8.518 -15.506 -1.434 47 HB3 GLU 7 HB3 GLU 7 8.761 -16.861 -0.555 48 HG2 GLU 7 HG2 GLU 7 6.170 -15.951 -1.410 49 HG3 GLU 7 HG3 GLU 7 7.018 -17.129 -2.158 50 H GLN 8 H GLN 8 5.616 -15.487 1.463 51 HA GLN 8 HA GLN 8 4.655 -13.175 0.155 52 HB2 GLN 8 HB2 GLN 8 2.613 -13.837 0.590 53 HB3 GLN 8 HB3 GLN 8 3.369 -15.266 0.826 54 HG2 GLN 8 HG2 GLN 8 3.277 -14.944 3.159 55 HG3 GLN 8 HG3 GLN 8 2.562 -13.491 2.941 56 HE21 GLN 8 HE21 GLN 8 2.112 -16.828 2.013 57 HE22 GLN 8 HE22 GLN 8 0.395 -16.838 2.247 58 H ILE 9 H ILE 9 5.795 -13.954 3.311 59 HA ILE 9 HA ILE 9 4.966 -11.619 4.551 60 HB ILE 9 HB ILE 9 7.173 -13.352 5.313 61 HG12 ILE 9 HG12 ILE 9 4.647 -13.130 6.682 62 HG13 ILE 9 HG13 ILE 9 4.844 -14.184 5.450 63 HG21 ILE 9 HG21 ILE 9 7.196 -12.223 7.478 64 HG22 ILE 9 HG22 ILE 9 6.073 -11.186 6.953 65 HG23 ILE 9 HG23 ILE 9 7.558 -11.163 6.313 66 HD11 ILE 9 HD11 ILE 9 5.112 -15.326 7.553 67 HD12 ILE 9 HD12 ILE 9 6.314 -14.324 7.958 68 HD13 ILE 9 HD13 ILE 9 6.508 -15.369 6.738 69 H ALA 10 H ALA 10 7.740 -12.452 2.639 70 HA ALA 10 HA ALA 10 9.234 -10.195 3.114 71 HB1 ALA 10 HB1 ALA 10 10.153 -12.090 1.932 72 HB2 ALA 10 HB2 ALA 10 10.406 -10.751 1.062 73 HB3 ALA 10 HB3 ALA 10 9.213 -11.763 0.657 74 H GLU 11 H GLU 11 6.797 -10.760 0.666 75 HA GLU 11 HA GLU 11 6.968 -8.228 -0.482 76 HB2 GLU 11 HB2 GLU 11 5.931 -10.088 -1.598 77 HB3 GLU 11 HB3 GLU 11 4.702 -10.032 -0.524 78 HG2 GLU 11 HG2 GLU 11 3.977 -7.986 -1.387 79 HG3 GLU 11 HG3 GLU 11 5.279 -7.901 -2.370 80 H PHE 12 H PHE 12 5.007 -9.533 2.041 81 HA PHE 12 HA PHE 12 3.333 -7.388 2.445 82 HB2 PHE 12 HB2 PHE 12 3.159 -9.643 3.435 83 HB3 PHE 12 HB3 PHE 12 4.258 -9.158 4.541 84 HD1 PHE 12 HD1 PHE 12 0.863 -9.118 3.649 85 HD2 PHE 12 HD2 PHE 12 3.653 -7.375 6.194 86 HE1 PHE 12 HE1 PHE 12 -0.928 -8.317 5.047 87 HE2 PHE 12 HE2 PHE 12 1.868 -6.525 7.576 88 HZ PHE 12 HZ PHE 12 -0.428 -7.020 7.018 89 H LYS 13 H LYS 13 6.442 -8.092 3.786 90 HA LYS 13 HA LYS 13 6.608 -5.933 5.487 91 HB2 LYS 13 HB2 LYS 13 8.114 -7.818 5.564 92 HB3 LYS 13 HB3 LYS 13 8.806 -7.300 4.178 93 HG2 LYS 13 HG2 LYS 13 9.492 -5.298 5.387 94 HG3 LYS 13 HG3 LYS 13 8.998 -6.039 6.757 95 HD2 LYS 13 HD2 LYS 13 11.245 -6.440 6.678 96 HD3 LYS 13 HD3 LYS 13 10.567 -7.839 6.179 97 HE2 LYS 13 HE2 LYS 13 10.986 -7.238 3.905 98 HE3 LYS 13 HE3 LYS 13 11.644 -5.826 4.395 99 HZ1 LYS 13 HZ1 LYS 13 13.350 -7.388 3.883 100 HZ2 LYS 13 HZ2 LYS 13 12.747 -8.420 4.973 101 HZ3 LYS 13 HZ3 LYS 13 13.399 -7.022 5.458 102 H GLU 14 H GLU 14 7.605 -6.300 2.175 103 HA GLU 14 HA GLU 14 8.860 -3.862 1.904 104 HB2 GLU 14 HB2 GLU 14 8.962 -5.662 0.287 105 HB3 GLU 14 HB3 GLU 14 7.457 -5.257 -0.201 106 HG2 GLU 14 HG2 GLU 14 8.868 -4.348 -1.760 107 HG3 GLU 14 HG3 GLU 14 8.365 -3.090 -0.847 108 H ALA 15 H ALA 15 5.522 -4.750 1.384 109 HA ALA 15 HA ALA 15 4.678 -2.256 0.572 110 HB1 ALA 15 HB1 ALA 15 3.304 -4.218 0.263 111 HB2 ALA 15 HB2 ALA 15 2.438 -3.081 1.019 112 HB3 ALA 15 HB3 ALA 15 3.065 -4.311 1.860 113 H PHE 16 H PHE 16 4.978 -3.630 3.729 114 HA PHE 16 HA PHE 16 3.648 -1.615 5.086 115 HB2 PHE 16 HB2 PHE 16 4.211 -3.821 6.000 116 HB3 PHE 16 HB3 PHE 16 5.727 -3.261 6.238 117 HD1 PHE 16 HD1 PHE 16 6.218 -1.677 8.040 118 HD2 PHE 16 HD2 PHE 16 2.363 -3.110 7.411 119 HE1 PHE 16 HE1 PHE 16 5.554 -0.819 10.191 120 HE2 PHE 16 HE2 PHE 16 1.694 -2.283 9.578 121 HZ PHE 16 HZ PHE 16 3.292 -1.144 10.976 122 H SER 17 H SER 17 6.974 -2.028 4.205 123 HA SER 17 HA SER 17 7.973 0.086 5.620 124 HB2 SER 17 HB2 SER 17 9.027 -1.104 3.171 125 HB3 SER 17 HB3 SER 17 9.908 -0.087 4.095 126 HG SER 17 HG SER 17 9.834 -1.534 5.771 127 H LEU 18 H LEU 18 6.140 0.168 2.783 128 HA LEU 18 HA LEU 18 7.023 2.662 1.902 129 HB2 LEU 18 HB2 LEU 18 4.514 1.343 1.332 130 HB3 LEU 18 HB3 LEU 18 5.031 2.668 0.528 131 HG LEU 18 HG LEU 18 6.372 0.129 0.419 132 HD11 LEU 18 HD11 LEU 18 5.400 -0.099 -1.787 133 HD12 LEU 18 HD12 LEU 18 4.580 1.277 -1.564 134 HD13 LEU 18 HD13 LEU 18 4.233 -0.025 -0.671 135 HD21 LEU 18 HD21 LEU 18 7.607 1.051 -1.422 136 HD22 LEU 18 HD22 LEU 18 7.868 1.920 -0.084 137 HD23 LEU 18 HD23 LEU 18 6.857 2.470 -1.220 138 H PHE 19 H PHE 19 4.924 1.688 4.349 139 HA PHE 19 HA PHE 19 3.913 4.361 4.663 140 HB2 PHE 19 HB2 PHE 19 2.808 1.857 5.600 141 HB3 PHE 19 HB3 PHE 19 2.197 3.290 6.089 142 HD1 PHE 19 HD1 PHE 19 0.802 4.624 4.647 143 HD2 PHE 19 HD2 PHE 19 2.479 1.073 3.280 144 HE1 PHE 19 HE1 PHE 19 -0.625 4.707 2.711 145 HE2 PHE 19 HE2 PHE 19 1.064 1.147 1.325 146 HZ PHE 19 HZ PHE 19 -0.505 2.962 1.046 147 H ASP 20 H ASP 20 6.125 2.325 5.909 148 HA ASP 20 HA ASP 20 6.124 3.108 8.612 149 HB2 ASP 20 HB2 ASP 20 7.126 1.061 7.971 150 HB3 ASP 20 HB3 ASP 20 8.224 1.862 7.067 151 H LYS 21 H LYS 21 5.843 5.401 8.152 152 HA LYS 21 HA LYS 21 7.971 6.821 7.025 153 HB2 LYS 21 HB2 LYS 21 5.605 7.514 7.026 154 HB3 LYS 21 HB3 LYS 21 5.784 7.895 8.604 155 HG2 LYS 21 HG2 LYS 21 7.318 9.572 8.043 156 HG3 LYS 21 HG3 LYS 21 7.197 9.172 6.465 157 HD2 LYS 21 HD2 LYS 21 4.903 9.765 6.511 158 HD3 LYS 21 HD3 LYS 21 5.065 10.215 8.073 159 HE2 LYS 21 HE2 LYS 21 6.634 11.876 7.428 160 HE3 LYS 21 HE3 LYS 21 6.462 11.429 5.866 161 HZ1 LYS 21 HZ1 LYS 21 5.138 13.336 6.320 162 HZ2 LYS 21 HZ2 LYS 21 4.357 12.527 7.482 163 HZ3 LYS 21 HZ3 LYS 21 4.188 12.085 5.937 164 H ASP 22 H ASP 22 7.205 5.813 10.146 165 HA ASP 22 HA ASP 22 8.758 7.753 11.493 166 HB2 ASP 22 HB2 ASP 22 7.508 5.341 12.433 167 HB3 ASP 22 HB3 ASP 22 8.362 6.314 13.428 168 H GLY 23 H GLY 23 9.318 4.741 10.028 169 HA2 GLY 23 HA2 GLY 23 11.354 4.057 9.298 170 HA3 GLY 23 HA3 GLY 23 12.101 5.196 10.197 171 H ASP 24 H ASP 24 10.056 3.337 12.029 172 HA ASP 24 HA ASP 24 12.197 1.590 12.785 173 HB2 ASP 24 HB2 ASP 24 11.668 1.895 15.117 174 HB3 ASP 24 HB3 ASP 24 12.077 3.319 14.430 175 H GLY 25 H GLY 25 9.565 1.376 11.284 176 HA2 GLY 25 HA2 GLY 25 8.491 -0.636 10.900 177 HA3 GLY 25 HA3 GLY 25 8.915 -1.187 12.378 178 H THR 26 H THR 26 7.488 1.889 12.102 179 HA THR 26 HA THR 26 5.011 0.826 13.085 180 HB THR 26 HB THR 26 5.932 3.408 14.075 181 HG1 THR 26 HG1 THR 26 6.655 1.881 15.914 182 HG21 THR 26 HG21 THR 26 4.681 2.844 16.009 183 HG22 THR 26 HG22 THR 26 4.361 1.380 15.399 184 HG23 THR 26 HG23 THR 26 3.726 2.700 14.712 185 H ILE 27 H ILE 27 3.046 1.793 12.453 186 HA ILE 27 HA ILE 27 3.356 3.959 10.587 187 HB ILE 27 HB ILE 27 1.576 3.070 9.186 188 HG12 ILE 27 HG12 ILE 27 1.528 0.729 10.854 189 HG13 ILE 27 HG13 ILE 27 0.430 1.928 11.002 190 HG21 ILE 27 HG21 ILE 27 2.775 1.213 8.271 191 HG22 ILE 27 HG22 ILE 27 3.688 1.135 9.603 192 HG23 ILE 27 HG23 ILE 27 3.801 2.414 8.619 193 HD11 ILE 27 HD11 ILE 27 -0.486 0.138 9.707 194 HD12 ILE 27 HD12 ILE 27 0.720 0.275 8.639 195 HD13 ILE 27 HD13 ILE 27 -0.368 1.463 8.787 196 H THR 28 H THR 28 1.426 5.409 10.335 197 HA THR 28 HA THR 28 0.351 5.837 12.880 198 HB THR 28 HB THR 28 -0.771 7.783 11.921 199 HG1 THR 28 HG1 THR 28 0.219 7.224 9.450 200 HG21 THR 28 HG21 THR 28 1.156 8.963 11.112 201 HG22 THR 28 HG22 THR 28 1.943 7.567 10.898 202 HG23 THR 28 HG23 THR 28 1.593 8.078 12.392 203 H THR 29 H THR 29 -1.895 5.758 13.555 204 HA THR 29 HA THR 29 -3.278 3.660 12.537 205 HB THR 29 HB THR 29 -5.240 4.588 13.822 206 HG1 THR 29 HG1 THR 29 -4.548 6.777 13.326 207 HG21 THR 29 HG21 THR 29 -4.235 4.480 15.988 208 HG22 THR 29 HG22 THR 29 -2.765 4.625 15.330 209 HG23 THR 29 HG23 THR 29 -3.637 3.288 15.073 210 H LYS 30 H LYS 30 -3.111 6.799 11.387 211 HA LYS 30 HA LYS 30 -5.658 6.861 10.223 212 HB2 LYS 30 HB2 LYS 30 -3.488 8.679 9.607 213 HB3 LYS 30 HB3 LYS 30 -5.080 9.007 9.442 214 HG2 LYS 30 HG2 LYS 30 -3.666 8.776 11.957 215 HG3 LYS 30 HG3 LYS 30 -4.273 10.159 11.335 216 HD2 LYS 30 HD2 LYS 30 -6.480 9.404 11.713 217 HD3 LYS 30 HD3 LYS 30 -5.927 7.953 12.220 218 HE2 LYS 30 HE2 LYS 30 -4.794 9.142 14.032 219 HE3 LYS 30 HE3 LYS 30 -5.636 10.470 13.590 220 HZ1 LYS 30 HZ1 LYS 30 -6.734 9.366 15.387 221 HZ2 LYS 30 HZ2 LYS 30 -6.836 8.013 14.507 222 HZ3 LYS 30 HZ3 LYS 30 -7.671 9.327 14.069 223 H GLU 31 H GLU 31 -2.730 5.619 9.193 224 HA GLU 31 HA GLU 31 -3.721 5.479 6.488 225 HB2 GLU 31 HB2 GLU 31 -0.986 5.257 7.369 226 HB3 GLU 31 HB3 GLU 31 -1.442 5.040 5.816 227 HG2 GLU 31 HG2 GLU 31 -2.372 7.329 5.959 228 HG3 GLU 31 HG3 GLU 31 -1.469 7.483 7.312 229 H LEU 32 H LEU 32 -3.997 3.780 9.053 230 HA LEU 32 HA LEU 32 -3.149 1.221 8.492 231 HB2 LEU 32 HB2 LEU 32 -4.042 1.934 10.583 232 HB3 LEU 32 HB3 LEU 32 -5.519 2.072 9.902 233 HG LEU 32 HG LEU 32 -5.107 0.232 11.469 234 HD11 LEU 32 HD11 LEU 32 -6.666 -1.192 10.341 235 HD12 LEU 32 HD12 LEU 32 -6.444 -0.348 8.979 236 HD13 LEU 32 HD13 LEU 32 -7.135 0.353 10.262 237 HD21 LEU 32 HD21 LEU 32 -4.282 -1.802 10.528 238 HD22 LEU 32 HD22 LEU 32 -3.127 -0.671 10.560 239 HD23 LEU 32 HD23 LEU 32 -3.886 -1.012 9.174 240 H GLY 33 H GLY 33 -6.094 2.831 7.558 241 HA2 GLY 33 HA2 GLY 33 -7.139 0.635 6.171 242 HA3 GLY 33 HA3 GLY 33 -7.641 2.182 6.030 243 H THR 34 H THR 34 -5.076 3.236 5.293 244 HA THR 34 HA THR 34 -5.317 2.924 2.570 245 HB THR 34 HB THR 34 -2.970 4.098 3.873 246 HG1 THR 34 HG1 THR 34 -5.411 4.793 4.277 247 HG21 THR 34 HG21 THR 34 -2.910 5.565 1.986 248 HG22 THR 34 HG22 THR 34 -4.236 4.868 1.378 249 HG23 THR 34 HG23 THR 34 -2.851 4.038 1.454 250 H VAL 35 H VAL 35 -2.856 1.684 4.749 251 HA VAL 35 HA VAL 35 -1.411 0.445 2.739 252 HB VAL 35 HB VAL 35 -0.414 0.816 4.912 253 HG11 VAL 35 HG11 VAL 35 -0.867 -0.610 6.758 254 HG12 VAL 35 HG12 VAL 35 -2.045 -1.332 5.918 255 HG13 VAL 35 HG13 VAL 35 -2.192 0.220 6.344 256 HG21 VAL 35 HG21 VAL 35 0.851 -1.236 5.069 257 HG22 VAL 35 HG22 VAL 35 0.698 -0.798 3.519 258 HG23 VAL 35 HG23 VAL 35 -0.231 -1.977 4.122 259 H MET 36 H MET 36 -4.135 -0.643 4.607 260 HA MET 36 HA MET 36 -4.068 -3.251 3.687 261 HB2 MET 36 HB2 MET 36 -5.759 -1.839 5.279 262 HB3 MET 36 HB3 MET 36 -6.687 -2.557 4.142 263 HG2 MET 36 HG2 MET 36 -5.606 -4.601 4.691 264 HG3 MET 36 HG3 MET 36 -4.916 -3.824 5.952 265 HE1 MET 36 HE1 MET 36 -7.679 -3.197 8.434 266 HE2 MET 36 HE2 MET 36 -6.867 -2.180 7.475 267 HE3 MET 36 HE3 MET 36 -6.080 -3.362 8.250 268 H ARG 37 H ARG 37 -5.630 -0.399 2.470 269 HA ARG 37 HA ARG 37 -6.956 -1.611 0.371 270 HB2 ARG 37 HB2 ARG 37 -7.381 0.650 1.195 271 HB3 ARG 37 HB3 ARG 37 -6.045 1.136 0.390 272 HG2 ARG 37 HG2 ARG 37 -7.066 0.569 -1.657 273 HG3 ARG 37 HG3 ARG 37 -8.395 0.060 -0.859 274 HD2 ARG 37 HD2 ARG 37 -8.746 2.288 -0.065 275 HD3 ARG 37 HD3 ARG 37 -7.450 2.782 -0.926 276 HE ARG 37 HE ARG 37 -10.046 2.203 -1.940 277 HH11 ARG 37 HH11 ARG 37 -6.680 2.739 -2.844 278 HH12 ARG 37 HH12 ARG 37 -7.093 3.088 -4.490 279 HH21 ARG 37 HH21 ARG 37 -10.483 2.643 -4.056 280 HH22 ARG 37 HH22 ARG 37 -9.209 3.033 -5.162 281 H SER 38 H SER 38 -3.721 -0.491 0.653 282 HA SER 38 HA SER 38 -3.016 -0.583 -2.015 283 HB2 SER 38 HB2 SER 38 -1.591 0.359 -0.261 284 HB3 SER 38 HB3 SER 38 -1.199 -1.164 0.180 285 HG SER 38 HG SER 38 0.395 -0.519 -1.102 286 H LEU 39 H LEU 39 -3.142 -3.016 0.424 287 HA LEU 39 HA LEU 39 -2.148 -5.069 -1.224 288 HB2 LEU 39 HB2 LEU 39 -3.452 -5.229 1.365 289 HB3 LEU 39 HB3 LEU 39 -2.733 -6.512 0.655 290 HG LEU 39 HG LEU 39 -1.250 -4.189 1.477 291 HD11 LEU 39 HD11 LEU 39 -0.614 -5.453 3.439 292 HD12 LEU 39 HD12 LEU 39 -1.604 -6.649 2.989 293 HD13 LEU 39 HD13 LEU 39 -2.214 -5.219 3.430 294 HD21 LEU 39 HD21 LEU 39 0.673 -5.600 1.278 295 HD22 LEU 39 HD22 LEU 39 -0.095 -5.505 -0.141 296 HD23 LEU 39 HD23 LEU 39 -0.264 -6.820 0.785 297 H GLY 40 H GLY 40 -4.938 -3.532 -1.394 298 HA2 GLY 40 HA2 GLY 40 -6.724 -4.103 -2.688 299 HA3 GLY 40 HA3 GLY 40 -6.218 -5.654 -2.767 300 H GLN 41 H GLN 41 -6.234 -4.886 0.393 301 HA GLN 41 HA GLN 41 -8.520 -6.430 0.861 302 HB2 GLN 41 HB2 GLN 41 -6.851 -4.981 2.723 303 HB3 GLN 41 HB3 GLN 41 -8.076 -5.941 3.217 304 HG2 GLN 41 HG2 GLN 41 -5.947 -7.044 1.653 305 HG3 GLN 41 HG3 GLN 41 -5.775 -6.885 3.269 306 HE21 GLN 41 HE21 GLN 41 -5.661 -9.004 3.872 307 HE22 GLN 41 HE22 GLN 41 -6.990 -10.094 3.658 308 H ASN 42 H ASN 42 -10.554 -5.887 1.619 309 HA ASN 42 HA ASN 42 -11.090 -3.083 1.901 310 HB2 ASN 42 HB2 ASN 42 -11.659 -3.792 -0.370 311 HB3 ASN 42 HB3 ASN 42 -12.776 -4.796 0.273 312 HD21 ASN 42 HD21 ASN 42 -14.720 -4.069 -0.290 313 HD22 ASN 42 HD22 ASN 42 -15.221 -2.425 -0.072 314 HA PRO 43 HA PRO 43 -13.261 -5.391 5.134 315 HB2 PRO 43 HB2 PRO 43 -12.284 -4.217 7.295 316 HB3 PRO 43 HB3 PRO 43 -11.348 -5.329 6.551 317 HG2 PRO 43 HG2 PRO 43 -11.285 -2.511 6.239 318 HG3 PRO 43 HG3 PRO 43 -10.034 -3.512 6.555 319 HD2 PRO 43 HD2 PRO 43 -10.484 -2.736 4.116 320 HD3 PRO 43 HD3 PRO 43 -9.925 -4.244 4.398 321 H THR 44 H THR 44 -14.769 -4.617 6.900 322 HA THR 44 HA THR 44 -16.364 -2.665 5.757 323 HB THR 44 HB THR 44 -16.913 -3.102 8.509 324 HG1 THR 44 HG1 THR 44 -15.727 -5.043 7.571 325 HG21 THR 44 HG21 THR 44 -19.041 -3.835 7.665 326 HG22 THR 44 HG22 THR 44 -18.454 -3.860 6.159 327 HG23 THR 44 HG23 THR 44 -18.648 -2.451 6.929 328 H GLU 45 H GLU 45 -16.766 -0.425 6.307 329 HA GLU 45 HA GLU 45 -14.581 0.906 7.352 330 HB2 GLU 45 HB2 GLU 45 -16.330 1.842 5.897 331 HB3 GLU 45 HB3 GLU 45 -17.241 2.021 7.240 332 HG2 GLU 45 HG2 GLU 45 -15.688 3.538 8.120 333 HG3 GLU 45 HG3 GLU 45 -14.719 3.324 6.823 334 H ALA 46 H ALA 46 -17.502 -0.146 8.875 335 HA ALA 46 HA ALA 46 -17.097 1.101 11.311 336 HB1 ALA 46 HB1 ALA 46 -19.234 0.112 10.741 337 HB2 ALA 46 HB2 ALA 46 -18.741 -0.491 12.159 338 HB3 ALA 46 HB3 ALA 46 -18.580 -1.366 10.809 339 H GLU 47 H GLU 47 -15.975 -1.862 10.016 340 HA GLU 47 HA GLU 47 -14.876 -2.955 12.341 341 HB2 GLU 47 HB2 GLU 47 -15.420 -4.129 10.260 342 HB3 GLU 47 HB3 GLU 47 -14.085 -3.456 9.602 343 HG2 GLU 47 HG2 GLU 47 -12.763 -4.682 11.118 344 HG3 GLU 47 HG3 GLU 47 -14.118 -5.405 11.677 345 H LEU 48 H LEU 48 -13.607 -0.900 9.858 346 HA LEU 48 HA LEU 48 -10.988 -0.908 10.734 347 HB2 LEU 48 HB2 LEU 48 -12.452 1.028 9.186 348 HB3 LEU 48 HB3 LEU 48 -10.879 1.285 9.547 349 HG LEU 48 HG LEU 48 -11.750 -0.982 8.020 350 HD11 LEU 48 HD11 LEU 48 -11.053 0.225 6.050 351 HD12 LEU 48 HD12 LEU 48 -10.750 1.529 6.957 352 HD13 LEU 48 HD13 LEU 48 -12.269 1.006 6.775 353 HD21 LEU 48 HD21 LEU 48 -9.432 -1.153 7.398 354 HD22 LEU 48 HD22 LEU 48 -9.584 -1.257 9.005 355 HD23 LEU 48 HD23 LEU 48 -9.087 0.125 8.326 356 H GLN 49 H GLN 49 -13.687 1.155 11.479 357 HA GLN 49 HA GLN 49 -12.366 2.932 13.115 358 HB2 GLN 49 HB2 GLN 49 -14.608 3.295 12.368 359 HB3 GLN 49 HB3 GLN 49 -15.126 2.075 13.322 360 HG2 GLN 49 HG2 GLN 49 -14.404 3.403 15.228 361 HG3 GLN 49 HG3 GLN 49 -14.194 4.645 14.188 362 HE21 GLN 49 HE21 GLN 49 -16.431 2.734 15.879 363 HE22 GLN 49 HE22 GLN 49 -17.845 3.654 15.484 364 H ASP 50 H ASP 50 -13.949 -0.067 13.802 365 HA ASP 50 HA ASP 50 -13.675 -0.044 16.526 366 HB2 ASP 50 HB2 ASP 50 -14.996 -1.598 15.010 367 HB3 ASP 50 HB3 ASP 50 -13.649 -2.521 15.022 368 H MET 51 H MET 51 -11.605 -1.720 14.228 369 HA MET 51 HA MET 51 -9.923 -2.626 16.203 370 HB2 MET 51 HB2 MET 51 -8.486 -3.395 14.482 371 HB3 MET 51 HB3 MET 51 -10.026 -3.619 13.990 372 HG2 MET 51 HG2 MET 51 -9.893 -1.716 12.669 373 HG3 MET 51 HG3 MET 51 -8.360 -1.464 13.176 374 HE1 MET 51 HE1 MET 51 -9.721 -4.659 10.267 375 HE2 MET 51 HE2 MET 51 -10.579 -3.357 10.694 376 HE3 MET 51 HE3 MET 51 -10.333 -4.550 11.759 377 H ILE 52 H ILE 52 -9.886 0.368 14.559 378 HA ILE 52 HA ILE 52 -7.257 0.997 15.244 379 HB ILE 52 HB ILE 52 -9.421 2.679 14.282 380 HG12 ILE 52 HG12 ILE 52 -6.840 2.236 13.072 381 HG13 ILE 52 HG13 ILE 52 -8.102 1.238 12.785 382 HG21 ILE 52 HG21 ILE 52 -7.980 4.618 14.268 383 HG22 ILE 52 HG22 ILE 52 -6.826 3.778 15.027 384 HG23 ILE 52 HG23 ILE 52 -8.210 4.122 15.790 385 HD11 ILE 52 HD11 ILE 52 -7.871 2.806 10.981 386 HD12 ILE 52 HD12 ILE 52 -8.035 4.039 12.012 387 HD13 ILE 52 HD13 ILE 52 -9.284 3.052 11.727 388 H ASN 53 H ASN 53 -10.359 1.800 16.660 389 HA ASN 53 HA ASN 53 -9.257 3.372 18.650 390 HB2 ASN 53 HB2 ASN 53 -11.870 2.222 18.315 391 HB3 ASN 53 HB3 ASN 53 -11.529 2.934 19.746 392 HD21 ASN 53 HD21 ASN 53 -12.232 3.407 16.470 393 HD22 ASN 53 HD22 ASN 53 -12.369 5.133 16.529 394 H GLU 54 H GLU 54 -9.800 -0.005 18.506 395 HA GLU 54 HA GLU 54 -9.627 -0.520 21.208 396 HB2 GLU 54 HB2 GLU 54 -10.373 -2.138 19.576 397 HB3 GLU 54 HB3 GLU 54 -8.837 -2.283 19.041 398 HG2 GLU 54 HG2 GLU 54 -9.218 -4.148 20.328 399 HG3 GLU 54 HG3 GLU 54 -8.265 -3.182 21.236 400 H VAL 55 H VAL 55 -7.069 -0.236 18.847 401 HA VAL 55 HA VAL 55 -5.180 -0.862 20.868 402 HB VAL 55 HB VAL 55 -3.467 -0.783 19.122 403 HG11 VAL 55 HG11 VAL 55 -4.250 -2.708 17.872 404 HG12 VAL 55 HG12 VAL 55 -5.756 -2.432 18.393 405 HG13 VAL 55 HG13 VAL 55 -4.608 -2.884 19.439 406 HG21 VAL 55 HG21 VAL 55 -4.086 -0.420 16.828 407 HG22 VAL 55 HG22 VAL 55 -4.379 0.909 17.701 408 HG23 VAL 55 HG23 VAL 55 -5.597 -0.069 17.286 409 H ASP 56 H ASP 56 -6.393 1.885 19.375 410 HA ASP 56 HA ASP 56 -4.323 3.642 20.328 411 HB2 ASP 56 HB2 ASP 56 -5.344 3.952 18.144 412 HB3 ASP 56 HB3 ASP 56 -6.742 4.330 18.899 413 H ALA 57 H ALA 57 -6.230 2.047 22.005 414 HA ALA 57 HA ALA 57 -8.008 3.760 23.194 415 HB1 ALA 57 HB1 ALA 57 -8.127 1.336 23.455 416 HB2 ALA 57 HB2 ALA 57 -8.181 2.031 24.914 417 HB3 ALA 57 HB3 ALA 57 -6.804 1.371 24.384 418 H ASP 58 H ASP 58 -4.672 3.350 23.787 419 HA ASP 58 HA ASP 58 -4.803 4.965 26.155 420 HB2 ASP 58 HB2 ASP 58 -3.344 2.893 25.841 421 HB3 ASP 58 HB3 ASP 58 -2.293 3.969 25.205 422 H GLY 59 H GLY 59 -4.861 5.640 23.082 423 HA2 GLY 59 HA2 GLY 59 -4.527 7.613 22.056 424 HA3 GLY 59 HA3 GLY 59 -3.923 8.247 23.434 425 H ASN 60 H ASN 60 -2.472 5.513 21.866 426 HA ASN 60 HA ASN 60 -0.082 6.974 21.738 427 HB2 ASN 60 HB2 ASN 60 0.986 4.910 21.158 428 HB3 ASN 60 HB3 ASN 60 -0.087 4.610 22.352 429 HD21 ASN 60 HD21 ASN 60 0.973 2.665 20.648 430 HD22 ASN 60 HD22 ASN 60 -0.342 2.017 19.724 431 H GLY 61 H GLY 61 -2.479 6.281 19.469 432 HA2 GLY 61 HA2 GLY 61 -2.698 7.022 17.373 433 HA3 GLY 61 HA3 GLY 61 -1.379 7.963 17.570 434 H THR 62 H THR 62 -0.452 4.865 18.058 435 HA THR 62 HA THR 62 0.461 4.663 15.363 436 HB THR 62 HB THR 62 2.592 3.691 16.421 437 HG1 THR 62 HG1 THR 62 2.023 4.897 18.752 438 HG21 THR 62 HG21 THR 62 3.517 5.805 17.045 439 HG22 THR 62 HG22 THR 62 2.036 6.448 17.134 440 HG23 THR 62 HG23 THR 62 2.638 6.000 15.701 441 H ILE 63 H ILE 63 1.163 2.571 14.515 442 HA ILE 63 HA ILE 63 0.170 0.344 16.017 443 HB ILE 63 HB ILE 63 -0.407 0.673 13.168 444 HG12 ILE 63 HG12 ILE 63 -2.291 0.530 15.345 445 HG13 ILE 63 HG13 ILE 63 -1.854 1.923 14.612 446 HG21 ILE 63 HG21 ILE 63 -1.538 -1.484 13.263 447 HG22 ILE 63 HG22 ILE 63 -1.088 -1.659 14.807 448 HG23 ILE 63 HG23 ILE 63 0.025 -1.679 13.633 449 HD11 ILE 63 HD11 ILE 63 -3.970 1.208 13.810 450 HD12 ILE 63 HD12 ILE 63 -3.331 -0.196 13.326 451 HD13 ILE 63 HD13 ILE 63 -2.898 1.183 12.600 452 H ASP 64 H ASP 64 1.801 -1.069 16.358 453 HA ASP 64 HA ASP 64 4.161 -0.915 14.844 454 HB2 ASP 64 HB2 ASP 64 3.435 -2.929 16.805 455 HB3 ASP 64 HB3 ASP 64 4.962 -2.592 16.334 456 H PHE 65 H PHE 65 5.142 -2.559 13.456 457 HA PHE 65 HA PHE 65 3.317 -3.682 11.850 458 HB2 PHE 65 HB2 PHE 65 5.084 -4.670 10.625 459 HB3 PHE 65 HB3 PHE 65 5.692 -3.300 11.273 460 HD1 PHE 65 HD1 PHE 65 5.845 -6.864 11.359 461 HD2 PHE 65 HD2 PHE 65 7.407 -3.369 12.996 462 HE1 PHE 65 HE1 PHE 65 7.623 -8.142 12.371 463 HE2 PHE 65 HE2 PHE 65 9.201 -4.632 13.995 464 HZ PHE 65 HZ PHE 65 9.306 -7.026 13.695 465 HA PRO 66 HA PRO 66 3.501 -7.859 13.533 466 HB2 PRO 66 HB2 PRO 66 3.755 -8.320 16.155 467 HB3 PRO 66 HB3 PRO 66 5.106 -8.249 15.240 468 HG2 PRO 66 HG2 PRO 66 3.936 -6.152 16.779 469 HG3 PRO 66 HG3 PRO 66 5.492 -6.651 16.792 470 HD2 PRO 66 HD2 PRO 66 4.843 -4.606 15.358 471 HD3 PRO 66 HD3 PRO 66 5.942 -5.666 14.777 472 H GLU 67 H GLU 67 2.134 -5.313 15.346 473 HA GLU 67 HA GLU 67 -0.131 -6.727 16.132 474 HB2 GLU 67 HB2 GLU 67 0.128 -3.874 15.777 475 HB3 GLU 67 HB3 GLU 67 -1.117 -4.587 16.558 476 HG2 GLU 67 HG2 GLU 67 1.614 -4.528 17.451 477 HG3 GLU 67 HG3 GLU 67 0.363 -3.739 18.145 478 H PHE 68 H PHE 68 0.687 -4.817 13.356 479 HA PHE 68 HA PHE 68 -1.781 -4.884 12.134 480 HB2 PHE 68 HB2 PHE 68 -0.064 -3.404 11.408 481 HB3 PHE 68 HB3 PHE 68 0.807 -4.672 10.859 482 HD1 PHE 68 HD1 PHE 68 -2.673 -3.680 10.354 483 HD2 PHE 68 HD2 PHE 68 0.943 -4.633 8.536 484 HE1 PHE 68 HE1 PHE 68 -3.714 -3.465 8.185 485 HE2 PHE 68 HE2 PHE 68 -0.077 -4.382 6.362 486 HZ PHE 68 HZ PHE 68 -2.413 -3.819 6.185 487 H LEU 69 H LEU 69 0.901 -7.107 11.928 488 HA LEU 69 HA LEU 69 -0.171 -8.748 10.010 489 HB2 LEU 69 HB2 LEU 69 1.843 -9.072 11.960 490 HB3 LEU 69 HB3 LEU 69 1.193 -10.479 11.444 491 HG LEU 69 HG LEU 69 3.164 -10.197 10.344 492 HD11 LEU 69 HD11 LEU 69 2.489 -10.193 8.028 493 HD12 LEU 69 HD12 LEU 69 1.046 -9.599 8.453 494 HD13 LEU 69 HD13 LEU 69 1.474 -11.090 8.911 495 HD21 LEU 69 HD21 LEU 69 3.713 -8.287 9.024 496 HD22 LEU 69 HD22 LEU 69 3.521 -7.883 10.578 497 HD23 LEU 69 HD23 LEU 69 2.350 -7.565 9.510 498 H THR 70 H THR 70 -0.467 -8.798 13.473 499 HA THR 70 HA THR 70 -1.942 -11.129 13.606 500 HB THR 70 HB THR 70 -1.977 -9.023 15.628 501 HG1 THR 70 HG1 THR 70 -0.207 -10.136 16.545 502 HG21 THR 70 HG21 THR 70 -2.358 -10.817 17.178 503 HG22 THR 70 HG22 THR 70 -2.307 -11.892 15.971 504 HG23 THR 70 HG23 THR 70 -3.533 -10.841 16.067 505 H MET 71 H MET 71 -2.921 -7.795 13.400 506 HA MET 71 HA MET 71 -5.611 -8.140 13.705 507 HB2 MET 71 HB2 MET 71 -4.010 -6.079 12.863 508 HB3 MET 71 HB3 MET 71 -5.258 -6.174 11.813 509 HG2 MET 71 HG2 MET 71 -5.937 -4.695 13.294 510 HG3 MET 71 HG3 MET 71 -6.710 -6.072 13.710 511 HE1 MET 71 HE1 MET 71 -3.485 -3.923 16.037 512 HE2 MET 71 HE2 MET 71 -4.461 -3.270 14.925 513 HE3 MET 71 HE3 MET 71 -3.288 -4.285 14.474 514 H MET 72 H MET 72 -3.634 -8.396 10.873 515 HA MET 72 HA MET 72 -5.656 -8.751 9.041 516 HB2 MET 72 HB2 MET 72 -3.278 -8.299 8.553 517 HB3 MET 72 HB3 MET 72 -2.998 -9.888 8.802 518 HG2 MET 72 HG2 MET 72 -3.068 -9.633 6.596 519 HG3 MET 72 HG3 MET 72 -4.465 -10.365 7.019 520 HE1 MET 72 HE1 MET 72 -3.993 -6.088 5.613 521 HE2 MET 72 HE2 MET 72 -2.876 -7.249 5.472 522 HE3 MET 72 HE3 MET 72 -3.241 -6.652 6.929 523 H ALA 73 H ALA 73 -3.864 -11.072 10.897 524 HA ALA 73 HA ALA 73 -4.911 -13.312 9.683 525 HB1 ALA 73 HB1 ALA 73 -2.909 -13.382 11.049 526 HB2 ALA 73 HB2 ALA 73 -3.945 -14.513 11.558 527 HB3 ALA 73 HB3 ALA 73 -3.801 -13.124 12.372 528 H ARG 74 H ARG 74 -6.075 -11.474 12.345 529 HA ARG 74 HA ARG 74 -7.916 -13.284 13.272 530 HB2 ARG 74 HB2 ARG 74 -7.804 -10.398 13.507 531 HB3 ARG 74 HB3 ARG 74 -9.002 -11.225 14.249 532 HG2 ARG 74 HG2 ARG 74 -7.532 -12.214 15.710 533 HG3 ARG 74 HG3 ARG 74 -6.240 -11.730 14.836 534 HD2 ARG 74 HD2 ARG 74 -6.714 -9.463 15.396 535 HD3 ARG 74 HD3 ARG 74 -8.000 -9.953 16.277 536 HE ARG 74 HE ARG 74 -6.235 -11.223 17.627 537 HH11 ARG 74 HH11 ARG 74 -5.831 -8.006 16.255 538 HH12 ARG 74 HH12 ARG 74 -4.683 -7.543 17.467 539 HH21 ARG 74 HH21 ARG 74 -4.761 -10.538 19.142 540 HH22 ARG 74 HH22 ARG 74 -4.092 -8.942 19.062 541 H LYS 75 H LYS 75 -8.073 -11.616 10.421 542 HA LYS 75 HA LYS 75 -10.821 -11.266 10.249 543 HB2 LYS 75 HB2 LYS 75 -9.177 -10.185 8.808 544 HB3 LYS 75 HB3 LYS 75 -8.984 -11.608 8.030 545 HG2 LYS 75 HG2 LYS 75 -10.335 -10.154 6.747 546 HG3 LYS 75 HG3 LYS 75 -11.198 -11.464 7.199 547 HD2 LYS 75 HD2 LYS 75 -12.229 -10.195 8.925 548 HD3 LYS 75 HD3 LYS 75 -11.356 -8.885 8.489 549 HE2 LYS 75 HE2 LYS 75 -12.474 -8.766 6.433 550 HE3 LYS 75 HE3 LYS 75 -13.257 -10.167 6.739 551 HZ1 LYS 75 HZ1 LYS 75 -14.687 -8.324 7.158 552 HZ2 LYS 75 HZ2 LYS 75 -13.631 -7.737 8.233 553 HZ3 LYS 75 HZ3 LYS 75 -14.406 -9.124 8.536 554 H MET 76 H MET 76 -8.897 -14.037 9.827 555 HA MET 76 HA MET 76 -10.760 -15.468 8.305 556 HB2 MET 76 HB2 MET 76 -8.453 -16.085 8.296 557 HB3 MET 76 HB3 MET 76 -8.544 -16.483 9.877 558 HG2 MET 76 HG2 MET 76 -8.514 -18.375 8.560 559 HG3 MET 76 HG3 MET 76 -9.904 -18.260 9.407 560 HE1 MET 76 HE1 MET 76 -11.617 -19.858 6.408 561 HE2 MET 76 HE2 MET 76 -11.625 -19.738 8.021 562 HE3 MET 76 HE3 MET 76 -10.333 -20.347 7.262 563 H LYS 77 H LYS 77 -12.425 -16.858 8.848 564 HA LYS 77 HA LYS 77 -12.728 -17.625 11.594 565 HB2 LYS 77 HB2 LYS 77 -13.901 -15.502 11.344 566 HB3 LYS 77 HB3 LYS 77 -14.884 -16.234 10.263 567 HG2 LYS 77 HG2 LYS 77 -15.597 -17.726 12.034 568 HG3 LYS 77 HG3 LYS 77 -14.743 -16.811 13.081 569 HD2 LYS 77 HD2 LYS 77 -16.929 -15.795 11.508 570 HD3 LYS 77 HD3 LYS 77 -17.082 -16.263 13.066 571 HE2 LYS 77 HE2 LYS 77 -15.513 -14.539 13.688 572 HE3 LYS 77 HE3 LYS 77 -15.504 -14.032 12.136 573 HZ1 LYS 77 HZ1 LYS 77 -17.006 -12.711 13.419 574 HZ2 LYS 77 HZ2 LYS 77 -17.835 -14.036 13.831 575 HZ3 LYS 77 HZ3 LYS 77 -17.826 -13.534 12.294 576 H ASP 78 H ASP 78 -13.872 -19.566 11.854 577 HA ASP 78 HA ASP 78 -15.052 -20.710 9.463 578 HB2 ASP 78 HB2 ASP 78 -12.889 -21.690 9.804 579 HB3 ASP 78 HB3 ASP 78 -13.386 -22.212 11.270 580 H THR 79 H THR 79 -17.209 -20.752 9.959 581 HA THR 79 HA THR 79 -18.105 -22.146 12.221 582 HB THR 79 HB THR 79 -17.663 -19.998 13.320 583 HG1 THR 79 HG1 THR 79 -20.348 -20.618 13.166 584 HG21 THR 79 HG21 THR 79 -18.976 -18.083 12.756 585 HG22 THR 79 HG22 THR 79 -19.682 -18.899 11.550 586 HG23 THR 79 HG23 THR 79 -18.112 -18.520 11.461 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -2.947 -19.843 18.768 2 H2 ALA 1 H2 ALA 1 -3.794 -19.308 17.499 3 H3 ALA 1 H3 ALA 1 -2.751 -18.325 18.247 4 HA ALA 1 HA ALA 1 -0.957 -19.629 17.534 5 HB1 ALA 1 HB1 ALA 1 -2.081 -21.793 17.423 6 HB2 ALA 1 HB2 ALA 1 -1.307 -21.520 16.030 7 HB3 ALA 1 HB3 ALA 1 -2.905 -21.300 16.122 8 H ASP 2 H ASP 2 0.108 -19.439 15.375 9 HA ASP 2 HA ASP 2 -0.705 -17.138 14.086 10 HB2 ASP 2 HB2 ASP 2 1.100 -19.206 13.190 11 HB3 ASP 2 HB3 ASP 2 0.885 -17.826 12.342 12 H GLN 3 H GLN 3 -2.072 -16.720 12.358 13 HA GLN 3 HA GLN 3 -3.304 -19.042 11.135 14 HB2 GLN 3 HB2 GLN 3 -4.667 -17.775 12.800 15 HB3 GLN 3 HB3 GLN 3 -4.788 -16.630 11.641 16 HG2 GLN 3 HG2 GLN 3 -6.722 -18.017 11.715 17 HG3 GLN 3 HG3 GLN 3 -5.983 -18.098 10.261 18 HE21 GLN 3 HE21 GLN 3 -5.508 -20.004 9.383 19 HE22 GLN 3 HE22 GLN 3 -5.562 -21.496 10.262 20 H LEU 4 H LEU 4 -1.067 -17.451 10.292 21 HA LEU 4 HA LEU 4 -2.030 -16.683 7.674 22 HB2 LEU 4 HB2 LEU 4 -0.179 -15.182 9.288 23 HB3 LEU 4 HB3 LEU 4 -0.320 -14.931 7.680 24 HG LEU 4 HG LEU 4 -2.472 -14.469 9.531 25 HD11 LEU 4 HD11 LEU 4 -1.960 -12.123 9.313 26 HD12 LEU 4 HD12 LEU 4 -0.675 -12.489 8.402 27 HD13 LEU 4 HD13 LEU 4 -0.703 -12.908 9.964 28 HD21 LEU 4 HD21 LEU 4 -3.512 -13.285 7.713 29 HD22 LEU 4 HD22 LEU 4 -3.252 -14.826 7.293 30 HD23 LEU 4 HD23 LEU 4 -2.268 -13.662 6.751 31 H THR 5 H THR 5 -0.413 -16.997 5.946 32 HA THR 5 HA THR 5 1.423 -19.052 6.666 33 HB THR 5 HB THR 5 1.709 -19.047 4.098 34 HG1 THR 5 HG1 THR 5 0.086 -17.070 4.461 35 HG21 THR 5 HG21 THR 5 -0.214 -20.460 3.865 36 HG22 THR 5 HG22 THR 5 -0.811 -19.905 5.261 37 HG23 THR 5 HG23 THR 5 0.522 -20.820 5.259 38 H GLU 6 H GLU 6 3.642 -19.061 6.239 39 HA GLU 6 HA GLU 6 4.827 -16.657 6.710 40 HB2 GLU 6 HB2 GLU 6 6.911 -17.884 6.591 41 HB3 GLU 6 HB3 GLU 6 5.791 -18.796 7.354 42 HG2 GLU 6 HG2 GLU 6 6.680 -19.184 4.628 43 HG3 GLU 6 HG3 GLU 6 7.022 -20.171 5.884 44 H GLU 7 H GLU 7 4.461 -18.178 3.634 45 HA GLU 7 HA GLU 7 6.320 -16.642 2.285 46 HB2 GLU 7 HB2 GLU 7 5.193 -18.644 1.434 47 HB3 GLU 7 HB3 GLU 7 3.889 -17.709 1.131 48 HG2 GLU 7 HG2 GLU 7 4.921 -17.933 -0.896 49 HG3 GLU 7 HG3 GLU 7 5.320 -16.431 -0.396 50 H GLN 8 H GLN 8 2.977 -16.007 2.974 51 HA GLN 8 HA GLN 8 2.877 -13.728 1.403 52 HB2 GLN 8 HB2 GLN 8 1.120 -14.838 3.371 53 HB3 GLN 8 HB3 GLN 8 0.845 -13.285 2.949 54 HG2 GLN 8 HG2 GLN 8 -0.467 -14.187 1.433 55 HG3 GLN 8 HG3 GLN 8 0.924 -14.369 0.598 56 HE21 GLN 8 HE21 GLN 8 -1.704 -15.865 0.879 57 HE22 GLN 8 HE22 GLN 8 -1.195 -17.512 1.058 58 H ILE 9 H ILE 9 4.208 -14.174 4.448 59 HA ILE 9 HA ILE 9 3.855 -11.618 5.455 60 HB ILE 9 HB ILE 9 6.081 -13.389 6.071 61 HG12 ILE 9 HG12 ILE 9 4.060 -14.481 6.550 62 HG13 ILE 9 HG13 ILE 9 4.835 -14.133 7.946 63 HG21 ILE 9 HG21 ILE 9 6.328 -12.143 8.137 64 HG22 ILE 9 HG22 ILE 9 5.151 -11.138 7.673 65 HG23 ILE 9 HG23 ILE 9 6.554 -11.164 6.870 66 HD11 ILE 9 HD11 ILE 9 2.476 -13.733 8.198 67 HD12 ILE 9 HD12 ILE 9 2.506 -12.680 6.971 68 HD13 ILE 9 HD13 ILE 9 3.274 -12.334 8.352 69 H ALA 10 H ALA 10 6.046 -12.976 3.176 70 HA ALA 10 HA ALA 10 7.887 -10.927 3.091 71 HB1 ALA 10 HB1 ALA 10 8.308 -13.061 2.017 72 HB2 ALA 10 HB2 ALA 10 8.539 -11.878 0.940 73 HB3 ALA 10 HB3 ALA 10 7.171 -12.741 0.912 74 H GLU 11 H GLU 11 5.007 -11.438 1.202 75 HA GLU 11 HA GLU 11 5.164 -9.149 -0.361 76 HB2 GLU 11 HB2 GLU 11 3.694 -10.970 -0.876 77 HB3 GLU 11 HB3 GLU 11 2.808 -10.636 0.455 78 HG2 GLU 11 HG2 GLU 11 2.151 -8.565 -0.560 79 HG3 GLU 11 HG3 GLU 11 2.946 -9.014 -1.914 80 H PHE 12 H PHE 12 3.590 -9.800 2.636 81 HA PHE 12 HA PHE 12 2.314 -7.427 3.007 82 HB2 PHE 12 HB2 PHE 12 2.126 -9.489 4.365 83 HB3 PHE 12 HB3 PHE 12 3.482 -9.014 5.143 84 HD1 PHE 12 HD1 PHE 12 -0.001 -8.567 4.871 85 HD2 PHE 12 HD2 PHE 12 3.438 -7.060 6.663 86 HE1 PHE 12 HE1 PHE 12 -1.358 -7.351 6.432 87 HE2 PHE 12 HE2 PHE 12 2.083 -5.806 8.211 88 HZ PHE 12 HZ PHE 12 -0.322 -5.974 8.106 89 H LYS 13 H LYS 13 5.543 -8.304 3.876 90 HA LYS 13 HA LYS 13 6.125 -6.003 5.264 91 HB2 LYS 13 HB2 LYS 13 7.427 -8.075 5.336 92 HB3 LYS 13 HB3 LYS 13 8.058 -7.673 3.885 93 HG2 LYS 13 HG2 LYS 13 9.111 -5.803 4.842 94 HG3 LYS 13 HG3 LYS 13 8.447 -6.157 6.292 95 HD2 LYS 13 HD2 LYS 13 9.658 -8.212 6.309 96 HD3 LYS 13 HD3 LYS 13 10.369 -7.780 4.904 97 HE2 LYS 13 HE2 LYS 13 11.354 -5.903 5.975 98 HE3 LYS 13 HE3 LYS 13 10.632 -6.318 7.379 99 HZ1 LYS 13 HZ1 LYS 13 12.890 -7.038 7.379 100 HZ2 LYS 13 HZ2 LYS 13 12.623 -7.909 6.043 101 HZ3 LYS 13 HZ3 LYS 13 11.908 -8.320 7.433 102 H GLU 14 H GLU 14 6.443 -6.679 1.877 103 HA GLU 14 HA GLU 14 7.978 -4.478 1.289 104 HB2 GLU 14 HB2 GLU 14 6.171 -5.935 -0.417 105 HB3 GLU 14 HB3 GLU 14 7.069 -4.704 -1.003 106 HG2 GLU 14 HG2 GLU 14 9.033 -5.952 -0.263 107 HG3 GLU 14 HG3 GLU 14 8.031 -7.219 -0.023 108 H ALA 15 H ALA 15 4.492 -4.829 1.376 109 HA ALA 15 HA ALA 15 4.007 -2.238 0.526 110 HB1 ALA 15 HB1 ALA 15 2.276 -3.913 0.439 111 HB2 ALA 15 HB2 ALA 15 1.725 -2.621 1.241 112 HB3 ALA 15 HB3 ALA 15 2.206 -3.934 2.055 113 H PHE 16 H PHE 16 4.364 -3.605 3.681 114 HA PHE 16 HA PHE 16 3.510 -1.404 5.111 115 HB2 PHE 16 HB2 PHE 16 3.942 -3.740 5.916 116 HB3 PHE 16 HB3 PHE 16 5.473 -3.230 6.168 117 HD1 PHE 16 HD1 PHE 16 5.874 -1.347 7.832 118 HD2 PHE 16 HD2 PHE 16 2.243 -3.351 7.512 119 HE1 PHE 16 HE1 PHE 16 5.246 -0.554 10.018 120 HE2 PHE 16 HE2 PHE 16 1.603 -2.553 9.699 121 HZ PHE 16 HZ PHE 16 3.119 -1.172 10.965 122 H SER 17 H SER 17 6.602 -2.237 3.872 123 HA SER 17 HA SER 17 8.068 -0.368 5.213 124 HB2 SER 17 HB2 SER 17 9.844 -0.874 3.679 125 HB3 SER 17 HB3 SER 17 9.015 -2.259 3.922 126 HG SER 17 HG SER 17 7.900 -1.864 1.995 127 H LEU 18 H LEU 18 5.908 0.241 2.780 128 HA LEU 18 HA LEU 18 7.178 2.659 2.007 129 HB2 LEU 18 HB2 LEU 18 4.635 1.579 1.150 130 HB3 LEU 18 HB3 LEU 18 5.313 2.909 0.490 131 HG LEU 18 HG LEU 18 6.410 0.252 0.309 132 HD11 LEU 18 HD11 LEU 18 5.794 0.373 -2.028 133 HD12 LEU 18 HD12 LEU 18 5.125 1.822 -1.771 134 HD13 LEU 18 HD13 LEU 18 4.480 0.503 -1.096 135 HD21 LEU 18 HD21 LEU 18 8.037 1.157 -1.225 136 HD22 LEU 18 HD22 LEU 18 8.192 1.856 0.226 137 HD23 LEU 18 HD23 LEU 18 7.450 2.643 -0.975 138 H PHE 19 H PHE 19 5.057 1.740 4.394 139 HA PHE 19 HA PHE 19 4.101 4.421 4.658 140 HB2 PHE 19 HB2 PHE 19 2.855 1.997 5.683 141 HB3 PHE 19 HB3 PHE 19 2.215 3.482 5.913 142 HD1 PHE 19 HD1 PHE 19 1.529 4.816 3.819 143 HD2 PHE 19 HD2 PHE 19 2.228 0.720 3.821 144 HE1 PHE 19 HE1 PHE 19 0.352 4.622 1.723 145 HE2 PHE 19 HE2 PHE 19 1.043 0.506 1.739 146 HZ PHE 19 HZ PHE 19 0.095 2.454 0.684 147 H ASP 20 H ASP 20 5.972 2.177 6.279 148 HA ASP 20 HA ASP 20 5.777 3.386 8.840 149 HB2 ASP 20 HB2 ASP 20 7.461 1.835 9.514 150 HB3 ASP 20 HB3 ASP 20 6.239 1.073 8.743 151 H LYS 21 H LYS 21 6.183 5.383 7.357 152 HA LYS 21 HA LYS 21 8.774 5.951 6.626 153 HB2 LYS 21 HB2 LYS 21 6.490 6.927 5.945 154 HB3 LYS 21 HB3 LYS 21 6.829 8.028 7.103 155 HG2 LYS 21 HG2 LYS 21 8.770 8.685 5.878 156 HG3 LYS 21 HG3 LYS 21 8.370 7.621 4.705 157 HD2 LYS 21 HD2 LYS 21 6.689 9.828 5.478 158 HD3 LYS 21 HD3 LYS 21 7.693 9.875 4.191 159 HE2 LYS 21 HE2 LYS 21 6.465 8.099 3.165 160 HE3 LYS 21 HE3 LYS 21 5.460 8.050 4.453 161 HZ1 LYS 21 HZ1 LYS 21 4.468 9.267 2.689 162 HZ2 LYS 21 HZ2 LYS 21 5.719 10.292 2.677 163 HZ3 LYS 21 HZ3 LYS 21 4.725 10.244 3.951 164 H ASP 22 H ASP 22 7.586 5.954 9.650 165 HA ASP 22 HA ASP 22 9.021 8.131 10.678 166 HB2 ASP 22 HB2 ASP 22 7.248 6.426 11.715 167 HB3 ASP 22 HB3 ASP 22 8.605 6.192 12.592 168 H GLY 23 H GLY 23 9.753 4.948 9.747 169 HA2 GLY 23 HA2 GLY 23 11.905 4.346 9.158 170 HA3 GLY 23 HA3 GLY 23 12.537 5.450 10.181 171 H ASP 24 H ASP 24 10.357 3.981 11.976 172 HA ASP 24 HA ASP 24 12.251 2.054 12.920 173 HB2 ASP 24 HB2 ASP 24 11.282 2.416 15.144 174 HB3 ASP 24 HB3 ASP 24 11.906 3.794 14.525 175 H GLY 25 H GLY 25 9.358 2.178 11.450 176 HA2 GLY 25 HA2 GLY 25 8.363 0.118 10.859 177 HA3 GLY 25 HA3 GLY 25 8.742 -0.500 12.322 178 H THR 26 H THR 26 7.543 2.529 12.800 179 HA THR 26 HA THR 26 4.958 1.459 13.455 180 HB THR 26 HB THR 26 5.984 4.064 14.309 181 HG1 THR 26 HG1 THR 26 6.818 1.670 15.068 182 HG21 THR 26 HG21 THR 26 4.478 3.870 16.139 183 HG22 THR 26 HG22 THR 26 3.989 2.423 15.609 184 HG23 THR 26 HG23 THR 26 3.642 3.755 14.760 185 H ILE 27 H ILE 27 2.982 2.306 12.671 186 HA ILE 27 HA ILE 27 3.258 4.401 10.711 187 HB ILE 27 HB ILE 27 1.477 3.492 9.374 188 HG12 ILE 27 HG12 ILE 27 1.308 1.236 11.135 189 HG13 ILE 27 HG13 ILE 27 0.282 2.502 11.244 190 HG21 ILE 27 HG21 ILE 27 2.551 1.517 8.560 191 HG22 ILE 27 HG22 ILE 27 3.473 1.463 9.887 192 HG23 ILE 27 HG23 ILE 27 3.649 2.673 8.830 193 HD11 ILE 27 HD11 ILE 27 -0.742 0.724 10.012 194 HD12 ILE 27 HD12 ILE 27 0.466 0.754 8.938 195 HD13 ILE 27 HD13 ILE 27 -0.550 2.007 9.046 196 H THR 28 H THR 28 0.923 5.540 10.374 197 HA THR 28 HA THR 28 0.001 6.055 13.030 198 HB THR 28 HB THR 28 -1.146 8.015 12.063 199 HG1 THR 28 HG1 THR 28 -1.511 7.235 10.025 200 HG21 THR 28 HG21 THR 28 0.836 9.272 11.560 201 HG22 THR 28 HG22 THR 28 1.677 7.903 11.373 202 HG23 THR 28 HG23 THR 28 1.135 8.326 12.837 203 H THR 29 H THR 29 -2.327 6.132 13.584 204 HA THR 29 HA THR 29 -3.640 3.957 12.669 205 HB THR 29 HB THR 29 -5.699 5.140 13.721 206 HG1 THR 29 HG1 THR 29 -3.987 6.815 14.933 207 HG21 THR 29 HG21 THR 29 -4.880 4.763 15.936 208 HG22 THR 29 HG22 THR 29 -3.361 4.706 15.385 209 HG23 THR 29 HG23 THR 29 -4.408 3.536 14.996 210 H LYS 30 H LYS 30 -3.775 7.118 11.379 211 HA LYS 30 HA LYS 30 -6.070 6.681 9.871 212 HB2 LYS 30 HB2 LYS 30 -5.484 8.713 8.719 213 HB3 LYS 30 HB3 LYS 30 -5.370 8.897 10.338 214 HG2 LYS 30 HG2 LYS 30 -3.016 8.670 10.202 215 HG3 LYS 30 HG3 LYS 30 -3.125 8.473 8.584 216 HD2 LYS 30 HD2 LYS 30 -4.013 10.869 9.879 217 HD3 LYS 30 HD3 LYS 30 -2.488 10.705 9.318 218 HE2 LYS 30 HE2 LYS 30 -3.375 10.346 7.109 219 HE3 LYS 30 HE3 LYS 30 -4.875 10.617 7.693 220 HZ1 LYS 30 HZ1 LYS 30 -4.022 12.582 6.690 221 HZ2 LYS 30 HZ2 LYS 30 -2.755 12.557 7.694 222 HZ3 LYS 30 HZ3 LYS 30 -4.241 12.826 8.273 223 H GLU 31 H GLU 31 -2.984 5.551 9.471 224 HA GLU 31 HA GLU 31 -3.238 5.269 6.625 225 HB2 GLU 31 HB2 GLU 31 -1.148 6.015 7.953 226 HB3 GLU 31 HB3 GLU 31 -0.862 4.408 7.956 227 HG2 GLU 31 HG2 GLU 31 0.338 5.222 6.190 228 HG3 GLU 31 HG3 GLU 31 -0.966 4.503 5.519 229 H LEU 32 H LEU 32 -4.136 3.604 9.209 230 HA LEU 32 HA LEU 32 -3.266 1.031 8.843 231 HB2 LEU 32 HB2 LEU 32 -4.641 1.988 10.672 232 HB3 LEU 32 HB3 LEU 32 -5.934 1.687 9.721 233 HG LEU 32 HG LEU 32 -4.307 -0.340 10.914 234 HD11 LEU 32 HD11 LEU 32 -6.267 -0.649 12.383 235 HD12 LEU 32 HD12 LEU 32 -7.006 0.578 11.633 236 HD13 LEU 32 HD13 LEU 32 -5.701 0.857 12.545 237 HD21 LEU 32 HD21 LEU 32 -5.935 -1.922 10.297 238 HD22 LEU 32 HD22 LEU 32 -5.267 -1.237 8.993 239 HD23 LEU 32 HD23 LEU 32 -6.740 -0.782 9.481 240 H GLY 33 H GLY 33 -6.100 2.542 7.487 241 HA2 GLY 33 HA2 GLY 33 -6.888 0.288 6.034 242 HA3 GLY 33 HA3 GLY 33 -7.448 1.807 5.823 243 H THR 34 H THR 34 -4.673 2.777 5.372 244 HA THR 34 HA THR 34 -4.768 2.607 2.622 245 HB THR 34 HB THR 34 -2.411 3.495 4.078 246 HG1 THR 34 HG1 THR 34 -3.620 5.595 3.861 247 HG21 THR 34 HG21 THR 34 -2.154 5.032 2.262 248 HG22 THR 34 HG22 THR 34 -3.513 4.482 1.580 249 HG23 THR 34 HG23 THR 34 -2.208 3.530 1.664 250 H VAL 35 H VAL 35 -2.839 0.939 4.981 251 HA VAL 35 HA VAL 35 -1.111 -0.294 3.252 252 HB VAL 35 HB VAL 35 -2.055 -1.363 5.808 253 HG11 VAL 35 HG11 VAL 35 -0.081 -2.753 5.855 254 HG12 VAL 35 HG12 VAL 35 0.333 -2.224 4.385 255 HG13 VAL 35 HG13 VAL 35 -0.990 -3.135 4.573 256 HG21 VAL 35 HG21 VAL 35 -0.064 -0.412 6.766 257 HG22 VAL 35 HG22 VAL 35 -0.963 0.751 6.092 258 HG23 VAL 35 HG23 VAL 35 0.345 0.193 5.323 259 H MET 36 H MET 36 -4.204 -1.431 4.464 260 HA MET 36 HA MET 36 -4.202 -3.792 3.044 261 HB2 MET 36 HB2 MET 36 -6.109 -2.395 4.525 262 HB3 MET 36 HB3 MET 36 -6.808 -3.162 3.264 263 HG2 MET 36 HG2 MET 36 -6.973 -4.553 4.998 264 HG3 MET 36 HG3 MET 36 -5.831 -5.167 4.005 265 HE1 MET 36 HE1 MET 36 -5.255 -3.541 8.140 266 HE2 MET 36 HE2 MET 36 -6.617 -4.152 7.517 267 HE3 MET 36 HE3 MET 36 -6.072 -2.713 7.016 268 H ARG 37 H ARG 37 -5.242 -0.615 2.185 269 HA ARG 37 HA ARG 37 -6.550 -1.373 -0.142 270 HB2 ARG 37 HB2 ARG 37 -6.814 0.771 1.075 271 HB3 ARG 37 HB3 ARG 37 -5.474 1.273 0.288 272 HG2 ARG 37 HG2 ARG 37 -6.580 1.021 -1.773 273 HG3 ARG 37 HG3 ARG 37 -7.918 0.499 -0.995 274 HD2 ARG 37 HD2 ARG 37 -7.983 2.661 0.126 275 HD3 ARG 37 HD3 ARG 37 -6.820 3.153 -0.912 276 HE ARG 37 HE ARG 37 -8.960 2.082 -2.349 277 HH11 ARG 37 HH11 ARG 37 -8.031 5.030 -0.662 278 HH12 ARG 37 HH12 ARG 37 -9.150 5.997 -1.563 279 HH21 ARG 37 HH21 ARG 37 -10.373 3.378 -3.442 280 HH22 ARG 37 HH22 ARG 37 -10.453 5.076 -3.111 281 H SER 38 H SER 38 -3.269 -0.398 0.438 282 HA SER 38 HA SER 38 -2.587 -0.285 -2.263 283 HB2 SER 38 HB2 SER 38 -0.258 -0.365 -1.433 284 HB3 SER 38 HB3 SER 38 -1.151 0.838 -0.785 285 HG SER 38 HG SER 38 0.104 -0.367 0.702 286 H LEU 39 H LEU 39 -2.736 -2.807 0.042 287 HA LEU 39 HA LEU 39 -1.431 -4.717 -1.566 288 HB2 LEU 39 HB2 LEU 39 -2.946 -4.921 0.863 289 HB3 LEU 39 HB3 LEU 39 -2.445 -6.277 0.103 290 HG LEU 39 HG LEU 39 -0.582 -4.321 1.069 291 HD11 LEU 39 HD11 LEU 39 -0.293 -5.707 3.025 292 HD12 LEU 39 HD12 LEU 39 -1.491 -6.670 2.520 293 HD13 LEU 39 HD13 LEU 39 -1.810 -5.148 2.964 294 HD21 LEU 39 HD21 LEU 39 1.010 -6.121 0.903 295 HD22 LEU 39 HD22 LEU 39 0.332 -5.850 -0.540 296 HD23 LEU 39 HD23 LEU 39 -0.153 -7.105 0.359 297 H GLY 40 H GLY 40 -4.369 -3.282 -1.780 298 HA2 GLY 40 HA2 GLY 40 -5.812 -3.697 -3.510 299 HA3 GLY 40 HA3 GLY 40 -5.231 -5.213 -3.685 300 H GLN 41 H GLN 41 -6.021 -4.829 -0.496 301 HA GLN 41 HA GLN 41 -8.293 -6.425 -0.873 302 HB2 GLN 41 HB2 GLN 41 -7.093 -5.407 1.550 303 HB3 GLN 41 HB3 GLN 41 -8.481 -6.264 1.616 304 HG2 GLN 41 HG2 GLN 41 -7.048 -7.908 2.000 305 HG3 GLN 41 HG3 GLN 41 -7.079 -7.985 0.368 306 HE21 GLN 41 HE21 GLN 41 -5.162 -8.391 -0.481 307 HE22 GLN 41 HE22 GLN 41 -3.686 -7.702 0.109 308 H ASN 42 H ASN 42 -10.400 -6.037 0.255 309 HA ASN 42 HA ASN 42 -11.157 -3.259 0.079 310 HB2 ASN 42 HB2 ASN 42 -12.845 -5.593 -0.294 311 HB3 ASN 42 HB3 ASN 42 -13.419 -4.064 -0.319 312 HD21 ASN 42 HD21 ASN 42 -12.703 -2.591 -1.994 313 HD22 ASN 42 HD22 ASN 42 -12.287 -3.276 -3.529 314 HA PRO 43 HA PRO 43 -11.681 -4.626 4.375 315 HB2 PRO 43 HB2 PRO 43 -10.621 -2.596 5.719 316 HB3 PRO 43 HB3 PRO 43 -9.612 -3.709 5.077 317 HG2 PRO 43 HG2 PRO 43 -10.369 -1.191 3.954 318 HG3 PRO 43 HG3 PRO 43 -8.859 -1.788 4.131 319 HD2 PRO 43 HD2 PRO 43 -10.064 -2.021 1.841 320 HD3 PRO 43 HD3 PRO 43 -9.097 -3.228 2.365 321 H THR 44 H THR 44 -13.223 -4.117 5.963 322 HA THR 44 HA THR 44 -15.181 -2.351 4.945 323 HB THR 44 HB THR 44 -15.702 -3.295 7.528 324 HG1 THR 44 HG1 THR 44 -15.813 -5.484 6.913 325 HG21 THR 44 HG21 THR 44 -17.701 -4.117 6.481 326 HG22 THR 44 HG22 THR 44 -17.081 -3.804 5.021 327 HG23 THR 44 HG23 THR 44 -17.462 -2.586 6.016 328 H GLU 45 H GLU 45 -15.475 -0.257 5.509 329 HA GLU 45 HA GLU 45 -13.543 1.052 6.956 330 HB2 GLU 45 HB2 GLU 45 -15.037 1.996 5.243 331 HB3 GLU 45 HB3 GLU 45 -16.218 2.031 6.370 332 HG2 GLU 45 HG2 GLU 45 -15.113 3.678 7.555 333 HG3 GLU 45 HG3 GLU 45 -13.812 3.564 6.574 334 H ALA 46 H ALA 46 -16.594 -0.119 8.013 335 HA ALA 46 HA ALA 46 -16.628 1.247 10.402 336 HB1 ALA 46 HB1 ALA 46 -18.620 0.167 9.487 337 HB2 ALA 46 HB2 ALA 46 -18.414 -0.313 11.017 338 HB3 ALA 46 HB3 ALA 46 -17.977 -1.284 9.799 339 H GLU 47 H GLU 47 -15.332 -1.879 9.644 340 HA GLU 47 HA GLU 47 -14.945 -2.679 12.250 341 HB2 GLU 47 HB2 GLU 47 -13.519 -3.578 9.885 342 HB3 GLU 47 HB3 GLU 47 -13.462 -4.370 11.311 343 HG2 GLU 47 HG2 GLU 47 -15.865 -4.664 11.124 344 HG3 GLU 47 HG3 GLU 47 -15.744 -4.101 9.596 345 H LEU 48 H LEU 48 -12.975 -0.765 10.204 346 HA LEU 48 HA LEU 48 -10.643 -0.946 11.615 347 HB2 LEU 48 HB2 LEU 48 -11.698 0.901 9.764 348 HB3 LEU 48 HB3 LEU 48 -10.556 1.550 10.735 349 HG LEU 48 HG LEU 48 -9.038 -0.151 9.937 350 HD11 LEU 48 HD11 LEU 48 -9.530 -1.304 7.912 351 HD12 LEU 48 HD12 LEU 48 -11.039 -0.724 7.940 352 HD13 LEU 48 HD13 LEU 48 -10.550 -1.760 9.081 353 HD21 LEU 48 HD21 LEU 48 -8.636 1.042 7.853 354 HD22 LEU 48 HD22 LEU 48 -8.990 2.093 9.029 355 HD23 LEU 48 HD23 LEU 48 -10.117 1.685 7.943 356 H GLN 49 H GLN 49 -13.392 1.101 12.103 357 HA GLN 49 HA GLN 49 -12.251 2.763 14.003 358 HB2 GLN 49 HB2 GLN 49 -14.337 3.202 12.841 359 HB3 GLN 49 HB3 GLN 49 -15.058 2.114 13.823 360 HG2 GLN 49 HG2 GLN 49 -14.746 3.482 15.676 361 HG3 GLN 49 HG3 GLN 49 -13.809 4.508 14.820 362 HE21 GLN 49 HE21 GLN 49 -15.012 5.256 12.676 363 HE22 GLN 49 HE22 GLN 49 -16.580 5.916 13.001 364 H ASP 50 H ASP 50 -14.045 -0.198 14.297 365 HA ASP 50 HA ASP 50 -14.060 -0.223 17.058 366 HB2 ASP 50 HB2 ASP 50 -14.384 -2.404 15.187 367 HB3 ASP 50 HB3 ASP 50 -14.587 -2.622 16.793 368 H MET 51 H MET 51 -11.791 -1.581 14.777 369 HA MET 51 HA MET 51 -10.335 -2.958 16.655 370 HB2 MET 51 HB2 MET 51 -9.412 -1.950 14.105 371 HB3 MET 51 HB3 MET 51 -8.508 -2.958 15.019 372 HG2 MET 51 HG2 MET 51 -10.529 -4.399 14.844 373 HG3 MET 51 HG3 MET 51 -10.800 -3.500 13.507 374 HE1 MET 51 HE1 MET 51 -7.688 -4.219 11.296 375 HE2 MET 51 HE2 MET 51 -7.939 -2.965 12.287 376 HE3 MET 51 HE3 MET 51 -9.129 -3.487 11.324 377 H ILE 52 H ILE 52 -9.931 0.283 15.430 378 HA ILE 52 HA ILE 52 -7.566 0.835 16.749 379 HB ILE 52 HB ILE 52 -9.595 2.699 15.813 380 HG12 ILE 52 HG12 ILE 52 -6.966 2.312 14.688 381 HG13 ILE 52 HG13 ILE 52 -8.227 1.392 14.207 382 HG21 ILE 52 HG21 ILE 52 -8.018 4.515 16.136 383 HG22 ILE 52 HG22 ILE 52 -6.971 3.493 16.823 384 HG23 ILE 52 HG23 ILE 52 -8.368 3.838 17.562 385 HD11 ILE 52 HD11 ILE 52 -7.870 3.175 12.636 386 HD12 ILE 52 HD12 ILE 52 -8.069 4.268 13.810 387 HD13 ILE 52 HD13 ILE 52 -9.317 3.358 13.334 388 H ASN 53 H ASN 53 -10.888 1.119 17.724 389 HA ASN 53 HA ASN 53 -10.383 2.413 20.088 390 HB2 ASN 53 HB2 ASN 53 -12.657 0.826 19.252 391 HB3 ASN 53 HB3 ASN 53 -12.647 1.487 20.745 392 HD21 ASN 53 HD21 ASN 53 -14.451 1.904 18.510 393 HD22 ASN 53 HD22 ASN 53 -14.414 3.610 18.218 394 H GLU 54 H GLU 54 -9.985 -0.870 19.311 395 HA GLU 54 HA GLU 54 -10.025 -1.663 22.027 396 HB2 GLU 54 HB2 GLU 54 -10.825 -3.151 20.235 397 HB3 GLU 54 HB3 GLU 54 -9.267 -3.363 19.795 398 HG2 GLU 54 HG2 GLU 54 -8.802 -4.407 21.879 399 HG3 GLU 54 HG3 GLU 54 -10.343 -4.158 22.359 400 H VAL 55 H VAL 55 -7.615 -0.951 19.655 401 HA VAL 55 HA VAL 55 -5.686 -1.877 21.486 402 HB VAL 55 HB VAL 55 -4.062 -1.980 19.602 403 HG11 VAL 55 HG11 VAL 55 -5.163 -3.673 18.262 404 HG12 VAL 55 HG12 VAL 55 -6.591 -3.236 18.882 405 HG13 VAL 55 HG13 VAL 55 -5.475 -3.922 19.828 406 HG21 VAL 55 HG21 VAL 55 -4.717 -1.353 17.384 407 HG22 VAL 55 HG22 VAL 55 -4.768 -0.070 18.367 408 HG23 VAL 55 HG23 VAL 55 -6.137 -0.822 17.947 409 H ASP 56 H ASP 56 -6.530 1.129 20.157 410 HA ASP 56 HA ASP 56 -4.037 2.320 20.829 411 HB2 ASP 56 HB2 ASP 56 -5.387 3.095 18.947 412 HB3 ASP 56 HB3 ASP 56 -6.404 3.768 20.033 413 H ALA 57 H ALA 57 -4.575 1.268 23.063 414 HA ALA 57 HA ALA 57 -6.263 2.650 24.758 415 HB1 ALA 57 HB1 ALA 57 -5.499 0.406 25.261 416 HB2 ALA 57 HB2 ALA 57 -5.172 1.368 26.519 417 HB3 ALA 57 HB3 ALA 57 -3.997 0.959 25.487 418 H ASP 58 H ASP 58 -3.046 3.200 23.804 419 HA ASP 58 HA ASP 58 -2.423 5.005 25.855 420 HB2 ASP 58 HB2 ASP 58 -1.111 4.351 23.368 421 HB3 ASP 58 HB3 ASP 58 -0.516 5.547 24.307 422 H GLY 59 H GLY 59 -4.085 5.253 22.930 423 HA2 GLY 59 HA2 GLY 59 -5.210 7.019 22.094 424 HA3 GLY 59 HA3 GLY 59 -4.826 7.896 23.417 425 H ASN 60 H ASN 60 -2.358 6.564 21.440 426 HA ASN 60 HA ASN 60 -1.569 9.235 20.828 427 HB2 ASN 60 HB2 ASN 60 -0.055 6.790 21.041 428 HB3 ASN 60 HB3 ASN 60 0.609 8.024 20.201 429 HD21 ASN 60 HD21 ASN 60 0.757 6.572 23.000 430 HD22 ASN 60 HD22 ASN 60 1.180 7.904 24.023 431 H GLY 61 H GLY 61 -2.980 6.705 19.237 432 HA2 GLY 61 HA2 GLY 61 -3.558 6.602 17.056 433 HA3 GLY 61 HA3 GLY 61 -2.899 8.075 16.804 434 H THR 62 H THR 62 -1.019 5.525 18.045 435 HA THR 62 HA THR 62 0.470 5.397 15.577 436 HB THR 62 HB THR 62 2.315 4.596 17.108 437 HG1 THR 62 HG1 THR 62 1.958 5.270 19.304 438 HG21 THR 62 HG21 THR 62 2.879 6.816 17.847 439 HG22 THR 62 HG22 THR 62 1.361 7.307 17.583 440 HG23 THR 62 HG23 THR 62 2.311 6.909 16.336 441 H ILE 63 H ILE 63 1.214 3.323 14.798 442 HA ILE 63 HA ILE 63 0.043 1.075 16.133 443 HB ILE 63 HB ILE 63 -0.117 1.488 13.249 444 HG12 ILE 63 HG12 ILE 63 -2.316 1.194 15.093 445 HG13 ILE 63 HG13 ILE 63 -1.814 2.631 14.500 446 HG21 ILE 63 HG21 ILE 63 -1.217 -0.676 13.085 447 HG22 ILE 63 HG22 ILE 63 -0.984 -0.916 14.667 448 HG23 ILE 63 HG23 ILE 63 0.282 -0.866 13.662 449 HD11 ILE 63 HD11 ILE 63 -3.737 1.886 13.315 450 HD12 ILE 63 HD12 ILE 63 -2.968 0.525 12.896 451 HD13 ILE 63 HD13 ILE 63 -2.472 1.948 12.310 452 H ASP 64 H ASP 64 1.701 -0.271 16.698 453 HA ASP 64 HA ASP 64 4.115 -0.127 15.263 454 HB2 ASP 64 HB2 ASP 64 3.302 -1.166 17.729 455 HB3 ASP 64 HB3 ASP 64 4.340 -2.189 16.991 456 H PHE 65 H PHE 65 5.284 -1.847 14.222 457 HA PHE 65 HA PHE 65 3.863 -3.192 12.411 458 HB2 PHE 65 HB2 PHE 65 6.424 -2.946 12.798 459 HB3 PHE 65 HB3 PHE 65 6.278 -4.501 13.274 460 HD1 PHE 65 HD1 PHE 65 4.676 -5.846 11.394 461 HD2 PHE 65 HD2 PHE 65 7.373 -2.755 10.702 462 HE1 PHE 65 HE1 PHE 65 4.892 -6.556 9.095 463 HE2 PHE 65 HE2 PHE 65 7.620 -3.474 8.410 464 HZ PHE 65 HZ PHE 65 6.378 -5.377 7.604 465 HA PRO 66 HA PRO 66 3.631 -7.189 14.595 466 HB2 PRO 66 HB2 PRO 66 3.875 -6.640 17.451 467 HB3 PRO 66 HB3 PRO 66 4.576 -7.886 16.661 468 HG2 PRO 66 HG2 PRO 66 6.034 -5.997 17.432 469 HG3 PRO 66 HG3 PRO 66 6.290 -6.608 15.939 470 HD2 PRO 66 HD2 PRO 66 4.807 -4.247 16.614 471 HD3 PRO 66 HD3 PRO 66 5.992 -4.384 15.498 472 H GLU 67 H GLU 67 2.377 -4.518 16.297 473 HA GLU 67 HA GLU 67 0.099 -5.847 17.199 474 HB2 GLU 67 HB2 GLU 67 -0.328 -3.993 18.279 475 HB3 GLU 67 HB3 GLU 67 1.113 -3.471 17.715 476 HG2 GLU 67 HG2 GLU 67 0.009 -2.452 15.896 477 HG3 GLU 67 HG3 GLU 67 -1.423 -2.933 16.516 478 H PHE 68 H PHE 68 0.878 -4.237 14.248 479 HA PHE 68 HA PHE 68 -1.677 -4.036 13.216 480 HB2 PHE 68 HB2 PHE 68 0.347 -3.014 12.276 481 HB3 PHE 68 HB3 PHE 68 0.675 -4.463 11.598 482 HD1 PHE 68 HD1 PHE 68 -0.757 -1.415 10.986 483 HD2 PHE 68 HD2 PHE 68 -1.271 -5.432 10.065 484 HE1 PHE 68 HE1 PHE 68 -2.081 -0.802 9.064 485 HE2 PHE 68 HE2 PHE 68 -2.597 -4.826 8.145 486 HZ PHE 68 HZ PHE 68 -3.003 -2.507 7.645 487 H LEU 69 H LEU 69 0.696 -6.568 13.036 488 HA LEU 69 HA LEU 69 -0.761 -8.287 11.445 489 HB2 LEU 69 HB2 LEU 69 1.471 -8.627 13.164 490 HB3 LEU 69 HB3 LEU 69 0.686 -9.994 12.733 491 HG LEU 69 HG LEU 69 2.618 -9.667 11.448 492 HD11 LEU 69 HD11 LEU 69 1.636 -9.997 9.260 493 HD12 LEU 69 HD12 LEU 69 0.216 -9.469 9.825 494 HD13 LEU 69 HD13 LEU 69 0.838 -10.858 10.372 495 HD21 LEU 69 HD21 LEU 69 2.801 -7.903 9.849 496 HD22 LEU 69 HD22 LEU 69 2.770 -7.316 11.356 497 HD23 LEU 69 HD23 LEU 69 1.446 -7.240 10.431 498 H THR 70 H THR 70 -0.613 -7.856 14.881 499 HA THR 70 HA THR 70 -2.182 -10.018 15.546 500 HB THR 70 HB THR 70 -1.917 -7.601 17.165 501 HG1 THR 70 HG1 THR 70 -0.307 -9.773 17.556 502 HG21 THR 70 HG21 THR 70 -2.278 -9.064 19.042 503 HG22 THR 70 HG22 THR 70 -2.410 -10.333 18.050 504 HG23 THR 70 HG23 THR 70 -3.548 -9.185 18.050 505 H MET 71 H MET 71 -3.047 -6.700 14.874 506 HA MET 71 HA MET 71 -5.722 -6.884 15.426 507 HB2 MET 71 HB2 MET 71 -4.171 -5.124 13.852 508 HB3 MET 71 HB3 MET 71 -5.749 -5.168 13.431 509 HG2 MET 71 HG2 MET 71 -6.276 -4.677 15.688 510 HG3 MET 71 HG3 MET 71 -4.681 -4.448 15.953 511 HE1 MET 71 HE1 MET 71 -3.770 -1.230 14.197 512 HE2 MET 71 HE2 MET 71 -3.364 -2.767 13.901 513 HE3 MET 71 HE3 MET 71 -3.395 -2.217 15.421 514 H MET 72 H MET 72 -4.004 -7.567 12.454 515 HA MET 72 HA MET 72 -6.250 -8.227 10.990 516 HB2 MET 72 HB2 MET 72 -4.180 -7.782 9.913 517 HB3 MET 72 HB3 MET 72 -3.542 -9.145 10.548 518 HG2 MET 72 HG2 MET 72 -4.938 -10.450 9.290 519 HG3 MET 72 HG3 MET 72 -5.735 -9.132 8.744 520 HE1 MET 72 HE1 MET 72 -3.553 -7.558 6.124 521 HE2 MET 72 HE2 MET 72 -3.958 -7.066 7.611 522 HE3 MET 72 HE3 MET 72 -5.073 -7.735 6.649 523 H ALA 73 H ALA 73 -4.250 -10.133 13.069 524 HA ALA 73 HA ALA 73 -5.242 -12.590 12.372 525 HB1 ALA 73 HB1 ALA 73 -3.257 -12.349 13.744 526 HB2 ALA 73 HB2 ALA 73 -4.283 -13.368 14.467 527 HB3 ALA 73 HB3 ALA 73 -4.165 -11.839 14.980 528 H ARG 74 H ARG 74 -6.578 -10.216 14.494 529 HA ARG 74 HA ARG 74 -8.389 -11.890 15.723 530 HB2 ARG 74 HB2 ARG 74 -8.522 -9.014 15.359 531 HB3 ARG 74 HB3 ARG 74 -9.583 -9.804 16.316 532 HG2 ARG 74 HG2 ARG 74 -6.761 -9.634 16.814 533 HG3 ARG 74 HG3 ARG 74 -7.895 -8.752 17.591 534 HD2 ARG 74 HD2 ARG 74 -8.835 -10.965 18.306 535 HD3 ARG 74 HD3 ARG 74 -7.377 -11.568 17.883 536 HE ARG 74 HE ARG 74 -6.383 -10.616 19.705 537 HH11 ARG 74 HH11 ARG 74 -9.692 -9.481 19.375 538 HH12 ARG 74 HH12 ARG 74 -9.662 -8.676 20.908 539 HH21 ARG 74 HH21 ARG 74 -6.407 -9.487 21.627 540 HH22 ARG 74 HH22 ARG 74 -7.846 -8.680 22.152 541 H LYS 75 H LYS 75 -8.431 -10.701 12.618 542 HA LYS 75 HA LYS 75 -11.228 -10.746 12.226 543 HB2 LYS 75 HB2 LYS 75 -9.760 -9.433 10.848 544 HB3 LYS 75 HB3 LYS 75 -9.102 -10.806 10.258 545 HG2 LYS 75 HG2 LYS 75 -10.541 -9.901 8.662 546 HG3 LYS 75 HG3 LYS 75 -11.165 -11.314 9.193 547 HD2 LYS 75 HD2 LYS 75 -12.643 -10.090 10.620 548 HD3 LYS 75 HD3 LYS 75 -12.056 -8.697 10.002 549 HE2 LYS 75 HE2 LYS 75 -12.846 -9.306 7.856 550 HE3 LYS 75 HE3 LYS 75 -13.413 -10.714 8.458 551 HZ1 LYS 75 HZ1 LYS 75 -15.162 -9.142 8.278 552 HZ2 LYS 75 HZ2 LYS 75 -14.354 -8.120 9.237 553 HZ3 LYS 75 HZ3 LYS 75 -14.915 -9.515 9.832 554 H MET 76 H MET 76 -8.817 -13.031 12.393 555 HA MET 76 HA MET 76 -10.221 -14.995 10.864 556 HB2 MET 76 HB2 MET 76 -7.688 -15.425 12.195 557 HB3 MET 76 HB3 MET 76 -8.238 -16.215 10.876 558 HG2 MET 76 HG2 MET 76 -7.284 -13.548 10.978 559 HG3 MET 76 HG3 MET 76 -6.504 -14.823 10.320 560 HE1 MET 76 HE1 MET 76 -7.430 -12.473 7.306 561 HE2 MET 76 HE2 MET 76 -6.184 -13.117 8.111 562 HE3 MET 76 HE3 MET 76 -7.102 -11.984 8.812 563 H LYS 77 H LYS 77 -9.801 -17.373 11.962 564 HA LYS 77 HA LYS 77 -10.349 -17.165 14.762 565 HB2 LYS 77 HB2 LYS 77 -12.493 -17.514 13.777 566 HB3 LYS 77 HB3 LYS 77 -11.947 -18.887 13.082 567 HG2 LYS 77 HG2 LYS 77 -11.542 -19.759 15.306 568 HG3 LYS 77 HG3 LYS 77 -12.301 -18.441 15.902 569 HD2 LYS 77 HD2 LYS 77 -14.296 -19.092 14.886 570 HD3 LYS 77 HD3 LYS 77 -13.551 -20.368 14.192 571 HE2 LYS 77 HE2 LYS 77 -13.041 -21.204 16.407 572 HE3 LYS 77 HE3 LYS 77 -13.942 -19.992 17.029 573 HZ1 LYS 77 HZ1 LYS 77 -15.219 -21.984 16.918 574 HZ2 LYS 77 HZ2 LYS 77 -14.968 -22.068 15.323 575 HZ3 LYS 77 HZ3 LYS 77 -15.860 -20.869 15.939 576 H ASP 78 H ASP 78 -8.981 -18.363 15.875 577 HA ASP 78 HA ASP 78 -7.799 -20.713 14.661 578 HB2 ASP 78 HB2 ASP 78 -5.836 -20.245 15.894 579 HB3 ASP 78 HB3 ASP 78 -6.216 -18.939 14.990 580 H THR 79 H THR 79 -6.686 -21.907 16.860 581 HA THR 79 HA THR 79 -8.381 -21.857 19.068 582 HB THR 79 HB THR 79 -9.936 -23.326 18.225 583 HG1 THR 79 HG1 THR 79 -9.598 -24.778 19.624 584 HG21 THR 79 HG21 THR 79 -9.478 -24.950 16.495 585 HG22 THR 79 HG22 THR 79 -7.899 -24.612 16.572 586 HG23 THR 79 HG23 THR 79 -8.934 -23.509 16.001 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 6.389 -15.029 18.808 2 H2 ALA 1 H2 ALA 1 4.842 -14.906 18.353 3 H3 ALA 1 H3 ALA 1 5.962 -13.953 17.677 4 HA ALA 1 HA ALA 1 6.963 -15.801 16.655 5 HB1 ALA 1 HB1 ALA 1 6.392 -17.509 18.297 6 HB2 ALA 1 HB2 ALA 1 5.956 -18.016 16.825 7 HB3 ALA 1 HB3 ALA 1 4.842 -17.435 17.842 8 H ASP 2 H ASP 2 6.247 -16.720 14.567 9 HA ASP 2 HA ASP 2 4.414 -14.977 13.394 10 HB2 ASP 2 HB2 ASP 2 5.559 -17.418 12.333 11 HB3 ASP 2 HB3 ASP 2 4.802 -16.299 11.415 12 H GLN 3 H GLN 3 2.313 -15.182 12.700 13 HA GLN 3 HA GLN 3 0.940 -17.533 13.693 14 HB2 GLN 3 HB2 GLN 3 0.422 -15.270 14.630 15 HB3 GLN 3 HB3 GLN 3 -0.366 -15.010 13.224 16 HG2 GLN 3 HG2 GLN 3 -1.888 -15.634 14.916 17 HG3 GLN 3 HG3 GLN 3 -1.872 -16.757 13.730 18 HE21 GLN 3 HE21 GLN 3 -2.069 -18.767 14.434 19 HE22 GLN 3 HE22 GLN 3 -1.347 -19.358 15.894 20 H LEU 4 H LEU 4 2.100 -16.310 11.009 21 HA LEU 4 HA LEU 4 0.078 -17.495 9.315 22 HB2 LEU 4 HB2 LEU 4 1.522 -15.071 8.733 23 HB3 LEU 4 HB3 LEU 4 0.555 -15.829 7.657 24 HG LEU 4 HG LEU 4 -0.393 -14.509 10.025 25 HD11 LEU 4 HD11 LEU 4 -1.208 -12.833 8.462 26 HD12 LEU 4 HD12 LEU 4 -0.540 -13.653 7.239 27 HD13 LEU 4 HD13 LEU 4 0.401 -12.946 8.348 28 HD21 LEU 4 HD21 LEU 4 -2.587 -14.823 9.159 29 HD22 LEU 4 HD22 LEU 4 -1.881 -16.254 9.422 30 HD23 LEU 4 HD23 LEU 4 -1.985 -15.669 7.919 31 H THR 5 H THR 5 1.090 -18.080 7.079 32 HA THR 5 HA THR 5 3.503 -19.431 7.517 33 HB THR 5 HB THR 5 3.262 -19.612 4.939 34 HG1 THR 5 HG1 THR 5 0.642 -19.101 5.592 35 HG21 THR 5 HG21 THR 5 1.725 -21.440 5.243 36 HG22 THR 5 HG22 THR 5 1.332 -20.886 6.710 37 HG23 THR 5 HG23 THR 5 2.811 -21.482 6.439 38 H GLU 6 H GLU 6 5.612 -18.990 6.779 39 HA GLU 6 HA GLU 6 6.290 -16.353 6.852 40 HB2 GLU 6 HB2 GLU 6 7.847 -18.600 5.836 41 HB3 GLU 6 HB3 GLU 6 8.531 -17.162 6.196 42 HG2 GLU 6 HG2 GLU 6 8.162 -17.476 8.460 43 HG3 GLU 6 HG3 GLU 6 7.243 -18.796 8.177 44 H GLU 7 H GLU 7 5.773 -18.303 4.081 45 HA GLU 7 HA GLU 7 6.919 -16.635 2.210 46 HB2 GLU 7 HB2 GLU 7 6.185 -18.932 1.830 47 HB3 GLU 7 HB3 GLU 7 4.649 -18.381 1.765 48 HG2 GLU 7 HG2 GLU 7 5.187 -17.151 -0.191 49 HG3 GLU 7 HG3 GLU 7 6.707 -17.744 -0.134 50 H GLN 8 H GLN 8 3.733 -16.619 3.559 51 HA GLN 8 HA GLN 8 2.875 -14.555 1.831 52 HB2 GLN 8 HB2 GLN 8 1.587 -15.977 3.970 53 HB3 GLN 8 HB3 GLN 8 0.861 -14.655 3.343 54 HG2 GLN 8 HG2 GLN 8 -0.034 -16.585 2.315 55 HG3 GLN 8 HG3 GLN 8 0.796 -15.728 1.201 56 HE21 GLN 8 HE21 GLN 8 1.889 -16.926 -0.208 57 HE22 GLN 8 HE22 GLN 8 2.678 -18.414 0.197 58 H ILE 9 H ILE 9 4.235 -14.722 4.951 59 HA ILE 9 HA ILE 9 3.491 -12.204 5.830 60 HB ILE 9 HB ILE 9 5.777 -13.812 6.617 61 HG12 ILE 9 HG12 ILE 9 3.434 -13.146 8.173 62 HG13 ILE 9 HG13 ILE 9 3.499 -14.488 7.247 63 HG21 ILE 9 HG21 ILE 9 6.182 -12.296 8.469 64 HG22 ILE 9 HG22 ILE 9 5.034 -11.299 7.915 65 HG23 ILE 9 HG23 ILE 9 6.398 -11.511 7.072 66 HD11 ILE 9 HD11 ILE 9 3.930 -15.044 9.523 67 HD12 ILE 9 HD12 ILE 9 5.181 -14.020 9.552 68 HD13 ILE 9 HD13 ILE 9 5.245 -15.350 8.635 69 H ALA 10 H ALA 10 6.023 -13.296 3.729 70 HA ALA 10 HA ALA 10 7.486 -10.986 3.628 71 HB1 ALA 10 HB1 ALA 10 8.256 -13.031 2.593 72 HB2 ALA 10 HB2 ALA 10 8.348 -11.826 1.518 73 HB3 ALA 10 HB3 ALA 10 7.128 -12.885 1.444 74 H GLU 11 H GLU 11 4.757 -11.914 1.677 75 HA GLU 11 HA GLU 11 4.643 -9.659 0.075 76 HB2 GLU 11 HB2 GLU 11 3.434 -11.745 -0.310 77 HB3 GLU 11 HB3 GLU 11 2.407 -11.324 0.888 78 HG2 GLU 11 HG2 GLU 11 1.212 -10.765 -0.918 79 HG3 GLU 11 HG3 GLU 11 1.920 -9.338 -0.560 80 H PHE 12 H PHE 12 3.016 -10.455 3.018 81 HA PHE 12 HA PHE 12 1.470 -8.214 3.328 82 HB2 PHE 12 HB2 PHE 12 1.265 -10.203 4.676 83 HB3 PHE 12 HB3 PHE 12 2.700 -9.874 5.381 84 HD1 PHE 12 HD1 PHE 12 -0.720 -8.778 5.181 85 HD2 PHE 12 HD2 PHE 12 2.858 -8.431 7.273 86 HE1 PHE 12 HE1 PHE 12 -1.876 -7.619 6.954 87 HE2 PHE 12 HE2 PHE 12 1.717 -7.264 9.052 88 HZ PHE 12 HZ PHE 12 -0.661 -6.882 8.904 89 H LYS 13 H LYS 13 4.684 -8.800 4.449 90 HA LYS 13 HA LYS 13 4.990 -6.424 5.787 91 HB2 LYS 13 HB2 LYS 13 6.417 -8.411 6.000 92 HB3 LYS 13 HB3 LYS 13 7.125 -7.987 4.591 93 HG2 LYS 13 HG2 LYS 13 7.696 -5.863 5.826 94 HG3 LYS 13 HG3 LYS 13 7.454 -6.779 7.156 95 HD2 LYS 13 HD2 LYS 13 9.687 -6.965 6.766 96 HD3 LYS 13 HD3 LYS 13 9.071 -8.353 6.167 97 HE2 LYS 13 HE2 LYS 13 9.114 -7.412 3.959 98 HE3 LYS 13 HE3 LYS 13 9.751 -6.035 4.565 99 HZ1 LYS 13 HZ1 LYS 13 11.453 -7.375 3.620 100 HZ2 LYS 13 HZ2 LYS 13 11.063 -8.591 4.614 101 HZ3 LYS 13 HZ3 LYS 13 11.694 -7.228 5.212 102 H GLU 14 H GLU 14 5.561 -7.160 2.435 103 HA GLU 14 HA GLU 14 7.071 -4.928 1.928 104 HB2 GLU 14 HB2 GLU 14 5.730 -6.750 0.255 105 HB3 GLU 14 HB3 GLU 14 5.958 -5.285 -0.430 106 HG2 GLU 14 HG2 GLU 14 8.328 -5.534 0.170 107 HG3 GLU 14 HG3 GLU 14 7.986 -7.101 0.480 108 H ALA 15 H ALA 15 3.604 -5.292 1.935 109 HA ALA 15 HA ALA 15 3.095 -2.740 0.953 110 HB1 ALA 15 HB1 ALA 15 1.377 -4.407 0.978 111 HB2 ALA 15 HB2 ALA 15 0.845 -3.083 1.738 112 HB3 ALA 15 HB3 ALA 15 1.340 -4.362 2.594 113 H PHE 16 H PHE 16 3.541 -3.971 4.157 114 HA PHE 16 HA PHE 16 2.806 -1.690 5.562 115 HB2 PHE 16 HB2 PHE 16 3.180 -3.960 6.464 116 HB3 PHE 16 HB3 PHE 16 4.769 -3.585 6.492 117 HD1 PHE 16 HD1 PHE 16 5.610 -1.830 8.066 118 HD2 PHE 16 HD2 PHE 16 1.677 -3.182 8.159 119 HE1 PHE 16 HE1 PHE 16 5.345 -0.906 10.285 120 HE2 PHE 16 HE2 PHE 16 1.401 -2.249 10.368 121 HZ PHE 16 HZ PHE 16 3.243 -1.129 11.441 122 H SER 17 H SER 17 5.779 -2.769 4.243 123 HA SER 17 HA SER 17 7.448 -0.871 5.220 124 HB2 SER 17 HB2 SER 17 8.168 -2.925 4.045 125 HB3 SER 17 HB3 SER 17 7.797 -2.198 2.631 126 HG SER 17 HG SER 17 9.465 -0.910 2.758 127 H LEU 18 H LEU 18 5.086 -0.324 2.970 128 HA LEU 18 HA LEU 18 6.425 1.860 1.771 129 HB2 LEU 18 HB2 LEU 18 3.680 0.984 1.455 130 HB3 LEU 18 HB3 LEU 18 4.347 2.165 0.545 131 HG LEU 18 HG LEU 18 5.240 -0.565 0.469 132 HD11 LEU 18 HD11 LEU 18 4.025 -0.745 -1.612 133 HD12 LEU 18 HD12 LEU 18 3.451 0.753 -1.403 134 HD13 LEU 18 HD13 LEU 18 3.004 -0.432 -0.397 135 HD21 LEU 18 HD21 LEU 18 6.408 0.063 -1.531 136 HD22 LEU 18 HD22 LEU 18 6.932 0.943 -0.281 137 HD23 LEU 18 HD23 LEU 18 5.906 1.590 -1.351 138 H PHE 19 H PHE 19 4.442 1.378 4.451 139 HA PHE 19 HA PHE 19 3.902 4.197 4.607 140 HB2 PHE 19 HB2 PHE 19 2.177 2.112 5.667 141 HB3 PHE 19 HB3 PHE 19 1.793 3.699 5.619 142 HD1 PHE 19 HD1 PHE 19 1.588 4.797 3.298 143 HD2 PHE 19 HD2 PHE 19 1.524 0.692 3.920 144 HE1 PHE 19 HE1 PHE 19 0.664 4.484 1.092 145 HE2 PHE 19 HE2 PHE 19 0.600 0.361 1.729 146 HZ PHE 19 HZ PHE 19 0.177 2.254 0.300 147 H ASP 20 H ASP 20 5.456 1.812 6.193 148 HA ASP 20 HA ASP 20 5.506 3.048 8.755 149 HB2 ASP 20 HB2 ASP 20 7.098 1.403 9.321 150 HB3 ASP 20 HB3 ASP 20 5.830 0.705 8.566 151 H LYS 21 H LYS 21 6.018 4.767 6.684 152 HA LYS 21 HA LYS 21 8.741 5.108 6.235 153 HB2 LYS 21 HB2 LYS 21 6.758 5.724 4.783 154 HB3 LYS 21 HB3 LYS 21 6.699 7.095 5.668 155 HG2 LYS 21 HG2 LYS 21 7.765 7.520 3.614 156 HG3 LYS 21 HG3 LYS 21 8.833 7.721 4.832 157 HD2 LYS 21 HD2 LYS 21 9.691 5.520 4.388 158 HD3 LYS 21 HD3 LYS 21 8.685 5.418 3.105 159 HE2 LYS 21 HE2 LYS 21 9.788 7.168 2.037 160 HE3 LYS 21 HE3 LYS 21 10.710 7.441 3.357 161 HZ1 LYS 21 HZ1 LYS 21 11.932 6.184 1.754 162 HZ2 LYS 21 HZ2 LYS 21 10.798 5.031 1.784 163 HZ3 LYS 21 HZ3 LYS 21 11.710 5.302 3.091 164 H ASP 22 H ASP 22 7.342 5.671 8.979 165 HA ASP 22 HA ASP 22 8.327 8.210 9.604 166 HB2 ASP 22 HB2 ASP 22 7.704 7.774 11.805 167 HB3 ASP 22 HB3 ASP 22 6.567 7.081 10.858 168 H GLY 23 H GLY 23 9.671 5.121 9.413 169 HA2 GLY 23 HA2 GLY 23 11.978 4.880 9.167 170 HA3 GLY 23 HA3 GLY 23 12.245 6.160 10.146 171 H ASP 24 H ASP 24 10.248 5.041 12.102 172 HA ASP 24 HA ASP 24 12.122 3.319 13.406 173 HB2 ASP 24 HB2 ASP 24 9.833 4.737 14.426 174 HB3 ASP 24 HB3 ASP 24 10.574 3.604 15.340 175 H GLY 25 H GLY 25 9.309 3.105 11.620 176 HA2 GLY 25 HA2 GLY 25 8.681 0.971 10.833 177 HA3 GLY 25 HA3 GLY 25 9.100 0.300 12.263 178 H THR 26 H THR 26 7.279 3.167 12.212 179 HA THR 26 HA THR 26 5.034 1.690 13.182 180 HB THR 26 HB THR 26 5.143 4.517 13.806 181 HG1 THR 26 HG1 THR 26 7.267 4.140 14.064 182 HG21 THR 26 HG21 THR 26 4.432 3.809 15.961 183 HG22 THR 26 HG22 THR 26 4.657 2.261 15.548 184 HG23 THR 26 HG23 THR 26 3.481 3.122 14.848 185 H ILE 27 H ILE 27 2.872 2.157 12.519 186 HA ILE 27 HA ILE 27 2.760 4.071 10.365 187 HB ILE 27 HB ILE 27 0.920 2.886 9.371 188 HG12 ILE 27 HG12 ILE 27 1.193 0.880 11.396 189 HG13 ILE 27 HG13 ILE 27 0.030 2.026 11.432 190 HG21 ILE 27 HG21 ILE 27 2.144 0.971 8.615 191 HG22 ILE 27 HG22 ILE 27 3.202 1.158 9.824 192 HG23 ILE 27 HG23 ILE 27 3.114 2.264 8.647 193 HD11 ILE 27 HD11 ILE 27 -0.868 -0.023 10.571 194 HD12 ILE 27 HD12 ILE 27 0.231 -0.023 9.384 195 HD13 ILE 27 HD13 ILE 27 -0.921 1.112 9.420 196 H THR 28 H THR 28 0.741 5.365 10.174 197 HA THR 28 HA THR 28 -0.173 5.953 12.826 198 HB THR 28 HB THR 28 -0.782 8.167 11.922 199 HG1 THR 28 HG1 THR 28 -0.548 8.648 9.892 200 HG21 THR 28 HG21 THR 28 1.461 8.983 11.642 201 HG22 THR 28 HG22 THR 28 1.998 7.475 11.417 202 HG23 THR 28 HG23 THR 28 1.445 7.929 12.868 203 H THR 29 H THR 29 -2.403 6.331 13.317 204 HA THR 29 HA THR 29 -4.092 4.596 12.111 205 HB THR 29 HB THR 29 -5.903 5.919 13.301 206 HG1 THR 29 HG1 THR 29 -5.306 7.711 14.398 207 HG21 THR 29 HG21 THR 29 -5.082 5.468 15.508 208 HG22 THR 29 HG22 THR 29 -3.579 5.308 14.935 209 HG23 THR 29 HG23 THR 29 -4.708 4.215 14.556 210 H LYS 30 H LYS 30 -3.511 7.872 11.307 211 HA LYS 30 HA LYS 30 -5.730 8.209 9.689 212 HB2 LYS 30 HB2 LYS 30 -4.625 10.241 8.945 213 HB3 LYS 30 HB3 LYS 30 -4.553 10.099 10.571 214 HG2 LYS 30 HG2 LYS 30 -2.316 9.214 10.307 215 HG3 LYS 30 HG3 LYS 30 -2.410 9.611 8.725 216 HD2 LYS 30 HD2 LYS 30 -2.659 11.562 10.812 217 HD3 LYS 30 HD3 LYS 30 -1.229 11.218 10.101 218 HE2 LYS 30 HE2 LYS 30 -2.204 11.879 7.983 219 HE3 LYS 30 HE3 LYS 30 -3.527 12.376 8.801 220 HZ1 LYS 30 HZ1 LYS 30 -2.075 14.214 8.402 221 HZ2 LYS 30 HZ2 LYS 30 -0.881 13.451 9.183 222 HZ3 LYS 30 HZ3 LYS 30 -2.192 13.944 9.993 223 H GLU 31 H GLU 31 -2.972 6.473 9.057 224 HA GLU 31 HA GLU 31 -3.615 6.445 6.242 225 HB2 GLU 31 HB2 GLU 31 -0.978 6.347 7.401 226 HB3 GLU 31 HB3 GLU 31 -1.236 5.898 5.852 227 HG2 GLU 31 HG2 GLU 31 -2.108 8.104 5.425 228 HG3 GLU 31 HG3 GLU 31 -1.657 8.527 6.937 229 H LEU 32 H LEU 32 -4.228 4.781 8.732 230 HA LEU 32 HA LEU 32 -3.201 2.277 8.408 231 HB2 LEU 32 HB2 LEU 32 -4.497 2.940 10.297 232 HB3 LEU 32 HB3 LEU 32 -5.828 3.055 9.358 233 HG LEU 32 HG LEU 32 -5.848 0.666 9.158 234 HD11 LEU 32 HD11 LEU 32 -4.451 -0.648 10.547 235 HD12 LEU 32 HD12 LEU 32 -3.680 0.682 11.047 236 HD13 LEU 32 HD13 LEU 32 -3.558 0.208 9.506 237 HD21 LEU 32 HD21 LEU 32 -6.645 0.282 11.398 238 HD22 LEU 32 HD22 LEU 32 -7.180 1.714 10.869 239 HD23 LEU 32 HD23 LEU 32 -5.929 1.645 11.892 240 H GLY 33 H GLY 33 -5.997 3.647 6.860 241 HA2 GLY 33 HA2 GLY 33 -6.811 1.298 5.610 242 HA3 GLY 33 HA3 GLY 33 -7.258 2.809 5.183 243 H THR 34 H THR 34 -4.338 3.468 4.839 244 HA THR 34 HA THR 34 -4.304 2.992 2.113 245 HB THR 34 HB THR 34 -1.891 3.874 3.450 246 HG1 THR 34 HG1 THR 34 -4.198 4.861 4.039 247 HG21 THR 34 HG21 THR 34 -1.788 5.421 1.625 248 HG22 THR 34 HG22 THR 34 -3.237 4.930 1.103 249 HG23 THR 34 HG23 THR 34 -1.968 3.931 1.024 250 H VAL 35 H VAL 35 -2.968 1.296 4.759 251 HA VAL 35 HA VAL 35 -1.044 -0.094 3.356 252 HB VAL 35 HB VAL 35 -2.400 -1.093 5.742 253 HG11 VAL 35 HG11 VAL 35 -0.406 -2.395 6.127 254 HG12 VAL 35 HG12 VAL 35 0.231 -1.833 4.751 255 HG13 VAL 35 HG13 VAL 35 -1.061 -2.802 4.706 256 HG21 VAL 35 HG21 VAL 35 -0.654 -0.047 7.034 257 HG22 VAL 35 HG22 VAL 35 -1.468 1.075 6.201 258 HG23 VAL 35 HG23 VAL 35 -0.020 0.575 5.683 259 H MET 36 H MET 36 -4.338 -0.945 4.174 260 HA MET 36 HA MET 36 -4.308 -3.391 2.934 261 HB2 MET 36 HB2 MET 36 -6.442 -1.687 3.794 262 HB3 MET 36 HB3 MET 36 -6.846 -2.965 2.861 263 HG2 MET 36 HG2 MET 36 -7.157 -3.614 4.977 264 HG3 MET 36 HG3 MET 36 -5.822 -4.381 4.432 265 HE1 MET 36 HE1 MET 36 -6.006 -1.272 7.669 266 HE2 MET 36 HE2 MET 36 -7.223 -2.218 7.179 267 HE3 MET 36 HE3 MET 36 -6.698 -1.020 6.230 268 H ARG 37 H ARG 37 -5.242 -0.275 1.656 269 HA ARG 37 HA ARG 37 -6.143 -1.331 -0.745 270 HB2 ARG 37 HB2 ARG 37 -6.402 0.818 -1.546 271 HB3 ARG 37 HB3 ARG 37 -6.733 0.892 0.052 272 HG2 ARG 37 HG2 ARG 37 -5.372 2.552 0.160 273 HG3 ARG 37 HG3 ARG 37 -4.158 1.487 -0.084 274 HD2 ARG 37 HD2 ARG 37 -4.509 1.853 -2.498 275 HD3 ARG 37 HD3 ARG 37 -5.430 3.134 -2.073 276 HE ARG 37 HE ARG 37 -3.572 4.306 -1.318 277 HH11 ARG 37 HH11 ARG 37 -1.398 4.724 -1.423 278 HH12 ARG 37 HH12 ARG 37 -0.299 3.538 -2.043 279 HH21 ARG 37 HH21 ARG 37 -2.708 1.162 -2.650 280 HH22 ARG 37 HH22 ARG 37 -1.025 1.563 -2.723 281 H SER 38 H SER 38 -3.013 -0.931 0.361 282 HA SER 38 HA SER 38 -1.830 -0.767 -2.194 283 HB2 SER 38 HB2 SER 38 -0.835 -0.239 0.174 284 HB3 SER 38 HB3 SER 38 -0.141 -1.688 -0.116 285 HG SER 38 HG SER 38 -0.061 0.155 -2.111 286 H LEU 39 H LEU 39 -2.763 -3.254 -0.050 287 HA LEU 39 HA LEU 39 -1.529 -5.341 -1.501 288 HB2 LEU 39 HB2 LEU 39 -3.525 -5.402 0.591 289 HB3 LEU 39 HB3 LEU 39 -2.916 -6.771 -0.061 290 HG LEU 39 HG LEU 39 -1.238 -4.902 1.320 291 HD11 LEU 39 HD11 LEU 39 -1.456 -6.284 3.285 292 HD12 LEU 39 HD12 LEU 39 -2.556 -7.192 2.525 293 HD13 LEU 39 HD13 LEU 39 -2.892 -5.653 2.890 294 HD21 LEU 39 HD21 LEU 39 0.265 -6.775 1.507 295 HD22 LEU 39 HD22 LEU 39 -0.059 -6.479 -0.050 296 HD23 LEU 39 HD23 LEU 39 -0.791 -7.705 0.709 297 H GLY 40 H GLY 40 -4.047 -3.386 -2.112 298 HA2 GLY 40 HA2 GLY 40 -5.565 -3.519 -3.813 299 HA3 GLY 40 HA3 GLY 40 -5.149 -5.071 -4.108 300 H GLN 41 H GLN 41 -5.671 -4.838 -0.926 301 HA GLN 41 HA GLN 41 -8.210 -6.101 -1.135 302 HB2 GLN 41 HB2 GLN 41 -6.536 -7.014 0.327 303 HB3 GLN 41 HB3 GLN 41 -6.580 -5.644 1.216 304 HG2 GLN 41 HG2 GLN 41 -8.731 -6.140 1.961 305 HG3 GLN 41 HG3 GLN 41 -8.813 -7.434 0.968 306 HE21 GLN 41 HE21 GLN 41 -8.321 -6.510 4.044 307 HE22 GLN 41 HE22 GLN 41 -7.472 -7.905 4.623 308 H ASN 42 H ASN 42 -10.158 -5.110 -0.882 309 HA ASN 42 HA ASN 42 -10.183 -2.410 -0.075 310 HB2 ASN 42 HB2 ASN 42 -12.327 -4.209 -0.754 311 HB3 ASN 42 HB3 ASN 42 -12.649 -2.702 -0.213 312 HD21 ASN 42 HD21 ASN 42 -13.611 -3.492 -2.613 313 HD22 ASN 42 HD22 ASN 42 -12.774 -2.633 -3.863 314 HA PRO 43 HA PRO 43 -10.708 -3.781 4.109 315 HB2 PRO 43 HB2 PRO 43 -10.405 -1.524 5.465 316 HB3 PRO 43 HB3 PRO 43 -9.080 -2.191 4.783 317 HG2 PRO 43 HG2 PRO 43 -10.706 -0.092 3.749 318 HG3 PRO 43 HG3 PRO 43 -9.078 -0.132 3.860 319 HD2 PRO 43 HD2 PRO 43 -10.263 -0.730 1.605 320 HD3 PRO 43 HD3 PRO 43 -8.871 -1.474 2.025 321 H THR 44 H THR 44 -12.253 -3.702 5.822 322 HA THR 44 HA THR 44 -14.727 -2.589 4.891 323 HB THR 44 HB THR 44 -14.912 -4.028 7.301 324 HG1 THR 44 HG1 THR 44 -14.158 -5.590 5.176 325 HG21 THR 44 HG21 THR 44 -16.568 -5.234 6.077 326 HG22 THR 44 HG22 THR 44 -16.070 -4.553 4.697 327 HG23 THR 44 HG23 THR 44 -16.795 -3.653 5.829 328 H GLU 45 H GLU 45 -15.932 -1.035 6.128 329 HA GLU 45 HA GLU 45 -14.409 0.787 7.498 330 HB2 GLU 45 HB2 GLU 45 -16.577 1.202 6.460 331 HB3 GLU 45 HB3 GLU 45 -17.281 0.441 7.721 332 HG2 GLU 45 HG2 GLU 45 -16.561 2.147 9.165 333 HG3 GLU 45 HG3 GLU 45 -15.830 2.904 7.916 334 H ALA 46 H ALA 46 -16.375 -1.771 8.747 335 HA ALA 46 HA ALA 46 -16.205 -1.098 11.392 336 HB1 ALA 46 HB1 ALA 46 -17.724 -2.817 10.592 337 HB2 ALA 46 HB2 ALA 46 -16.862 -3.405 11.827 338 HB3 ALA 46 HB3 ALA 46 -16.471 -3.799 10.308 339 H GLU 47 H GLU 47 -14.032 -3.036 9.482 340 HA GLU 47 HA GLU 47 -12.467 -3.956 11.521 341 HB2 GLU 47 HB2 GLU 47 -11.650 -3.326 8.805 342 HB3 GLU 47 HB3 GLU 47 -10.715 -4.200 9.821 343 HG2 GLU 47 HG2 GLU 47 -13.303 -5.108 9.096 344 HG3 GLU 47 HG3 GLU 47 -12.011 -5.415 8.145 345 H LEU 48 H LEU 48 -12.201 -1.053 9.642 346 HA LEU 48 HA LEU 48 -9.810 -0.197 10.728 347 HB2 LEU 48 HB2 LEU 48 -11.915 1.385 9.529 348 HB3 LEU 48 HB3 LEU 48 -10.415 1.966 9.817 349 HG LEU 48 HG LEU 48 -10.903 -0.184 7.974 350 HD11 LEU 48 HD11 LEU 48 -10.720 1.455 6.206 351 HD12 LEU 48 HD12 LEU 48 -10.622 2.633 7.309 352 HD13 LEU 48 HD13 LEU 48 -11.994 1.793 7.142 353 HD21 LEU 48 HD21 LEU 48 -8.706 0.297 7.154 354 HD22 LEU 48 HD22 LEU 48 -8.644 -0.096 8.722 355 HD23 LEU 48 HD23 LEU 48 -8.537 1.454 8.272 356 H GLN 49 H GLN 49 -13.096 0.366 11.616 357 HA GLN 49 HA GLN 49 -12.640 2.226 13.611 358 HB2 GLN 49 HB2 GLN 49 -14.803 1.619 12.586 359 HB3 GLN 49 HB3 GLN 49 -14.822 0.323 13.580 360 HG2 GLN 49 HG2 GLN 49 -16.190 1.874 14.553 361 HG3 GLN 49 HG3 GLN 49 -14.819 1.879 15.441 362 HE21 GLN 49 HE21 GLN 49 -15.683 3.420 12.427 363 HE22 GLN 49 HE22 GLN 49 -15.321 5.032 12.947 364 H ASP 50 H ASP 50 -12.880 -1.230 13.680 365 HA ASP 50 HA ASP 50 -12.677 -1.523 16.400 366 HB2 ASP 50 HB2 ASP 50 -12.045 -3.421 14.298 367 HB3 ASP 50 HB3 ASP 50 -12.098 -3.861 15.869 368 H MET 51 H MET 51 -10.142 -1.508 13.971 369 HA MET 51 HA MET 51 -8.130 -2.201 15.694 370 HB2 MET 51 HB2 MET 51 -7.860 -0.535 13.333 371 HB3 MET 51 HB3 MET 51 -6.579 -1.195 14.102 372 HG2 MET 51 HG2 MET 51 -7.652 -3.309 13.623 373 HG3 MET 51 HG3 MET 51 -8.537 -2.458 12.545 374 HE1 MET 51 HE1 MET 51 -6.362 -3.851 9.865 375 HE2 MET 51 HE2 MET 51 -7.835 -3.296 10.238 376 HE3 MET 51 HE3 MET 51 -7.229 -4.573 11.023 377 H ILE 52 H ILE 52 -9.396 0.900 14.850 378 HA ILE 52 HA ILE 52 -7.515 2.416 16.201 379 HB ILE 52 HB ILE 52 -10.220 3.132 15.371 380 HG12 ILE 52 HG12 ILE 52 -7.749 4.106 14.238 381 HG13 ILE 52 HG13 ILE 52 -8.444 2.734 13.689 382 HG21 ILE 52 HG21 ILE 52 -9.720 5.457 15.817 383 HG22 ILE 52 HG22 ILE 52 -8.292 5.037 16.447 384 HG23 ILE 52 HG23 ILE 52 -9.662 4.614 17.195 385 HD11 ILE 52 HD11 ILE 52 -9.007 4.568 12.248 386 HD12 ILE 52 HD12 ILE 52 -9.662 5.365 13.493 387 HD13 ILE 52 HD13 ILE 52 -10.350 4.006 12.950 388 H ASN 53 H ASN 53 -10.502 0.996 17.217 389 HA ASN 53 HA ASN 53 -10.426 2.271 19.707 390 HB2 ASN 53 HB2 ASN 53 -12.133 0.137 18.730 391 HB3 ASN 53 HB3 ASN 53 -12.334 0.762 20.225 392 HD21 ASN 53 HD21 ASN 53 -14.187 0.668 18.023 393 HD22 ASN 53 HD22 ASN 53 -14.618 2.315 17.710 394 H GLU 54 H GLU 54 -8.855 -0.446 18.575 395 HA GLU 54 HA GLU 54 -8.727 -1.779 21.066 396 HB2 GLU 54 HB2 GLU 54 -8.446 -2.851 18.856 397 HB3 GLU 54 HB3 GLU 54 -6.929 -2.244 18.855 398 HG2 GLU 54 HG2 GLU 54 -6.502 -4.302 19.608 399 HG3 GLU 54 HG3 GLU 54 -6.733 -3.537 21.033 400 H VAL 55 H VAL 55 -6.765 0.482 19.335 401 HA VAL 55 HA VAL 55 -4.710 0.279 21.248 402 HB VAL 55 HB VAL 55 -3.497 1.921 19.827 403 HG11 VAL 55 HG11 VAL 55 -3.152 0.426 17.954 404 HG12 VAL 55 HG12 VAL 55 -4.471 -0.407 18.380 405 HG13 VAL 55 HG13 VAL 55 -3.169 -0.407 19.340 406 HG21 VAL 55 HG21 VAL 55 -4.449 2.561 17.707 407 HG22 VAL 55 HG22 VAL 55 -5.353 3.127 18.922 408 HG23 VAL 55 HG23 VAL 55 -5.830 1.818 18.102 409 H ASP 56 H ASP 56 -7.422 1.972 21.202 410 HA ASP 56 HA ASP 56 -6.535 4.463 22.036 411 HB2 ASP 56 HB2 ASP 56 -8.688 5.100 22.156 412 HB3 ASP 56 HB3 ASP 56 -8.831 3.797 21.181 413 H ALA 57 H ALA 57 -6.613 1.597 23.651 414 HA ALA 57 HA ALA 57 -7.007 2.412 26.237 415 HB1 ALA 57 HB1 ALA 57 -6.970 0.065 25.591 416 HB2 ALA 57 HB2 ALA 57 -5.952 0.287 26.829 417 HB3 ALA 57 HB3 ALA 57 -5.378 0.159 25.322 418 H ASP 58 H ASP 58 -4.052 2.258 24.392 419 HA ASP 58 HA ASP 58 -2.538 3.355 26.549 420 HB2 ASP 58 HB2 ASP 58 -1.825 2.403 23.949 421 HB3 ASP 58 HB3 ASP 58 -0.774 3.396 24.707 422 H GLY 59 H GLY 59 -4.264 4.357 23.848 423 HA2 GLY 59 HA2 GLY 59 -4.782 6.401 23.120 424 HA3 GLY 59 HA3 GLY 59 -4.223 7.014 24.525 425 H ASN 60 H ASN 60 -1.876 5.412 22.687 426 HA ASN 60 HA ASN 60 -0.559 7.866 22.334 427 HB2 ASN 60 HB2 ASN 60 1.329 6.569 21.578 428 HB3 ASN 60 HB3 ASN 60 0.728 5.942 22.961 429 HD21 ASN 60 HD21 ASN 60 2.226 4.221 21.920 430 HD22 ASN 60 HD22 ASN 60 1.367 3.030 21.000 431 H GLY 61 H GLY 61 -2.576 6.087 20.366 432 HA2 GLY 61 HA2 GLY 61 -3.384 6.673 18.353 433 HA3 GLY 61 HA3 GLY 61 -2.485 8.037 18.377 434 H THR 62 H THR 62 -0.691 5.202 18.653 435 HA THR 62 HA THR 62 -0.012 5.329 15.848 436 HB THR 62 HB THR 62 2.273 4.640 16.497 437 HG1 THR 62 HG1 THR 62 2.851 4.726 18.623 438 HG21 THR 62 HG21 THR 62 2.961 6.797 17.316 439 HG22 THR 62 HG22 THR 62 1.434 7.150 17.715 440 HG23 THR 62 HG23 THR 62 1.854 7.018 16.158 441 H ILE 63 H ILE 63 0.789 3.233 14.890 442 HA ILE 63 HA ILE 63 -0.125 0.996 16.433 443 HB ILE 63 HB ILE 63 -0.727 1.261 13.584 444 HG12 ILE 63 HG12 ILE 63 -2.643 1.223 15.741 445 HG13 ILE 63 HG13 ILE 63 -2.139 2.602 15.026 446 HG21 ILE 63 HG21 ILE 63 -1.915 -0.843 13.791 447 HG22 ILE 63 HG22 ILE 63 -1.458 -0.955 15.338 448 HG23 ILE 63 HG23 ILE 63 -0.356 -1.062 14.159 449 HD11 ILE 63 HD11 ILE 63 -4.271 1.965 14.159 450 HD12 ILE 63 HD12 ILE 63 -3.670 0.541 13.684 451 HD13 ILE 63 HD13 ILE 63 -3.170 1.906 12.975 452 H ASP 64 H ASP 64 1.510 -0.362 16.812 453 HA ASP 64 HA ASP 64 3.822 -0.282 15.193 454 HB2 ASP 64 HB2 ASP 64 3.177 -1.753 17.588 455 HB3 ASP 64 HB3 ASP 64 4.576 -2.042 16.797 456 H PHE 65 H PHE 65 4.854 -2.332 14.325 457 HA PHE 65 HA PHE 65 3.163 -3.467 12.581 458 HB2 PHE 65 HB2 PHE 65 5.607 -3.478 12.363 459 HB3 PHE 65 HB3 PHE 65 5.678 -4.673 13.474 460 HD1 PHE 65 HD1 PHE 65 4.809 -6.980 12.867 461 HD2 PHE 65 HD2 PHE 65 5.314 -3.954 10.062 462 HE1 PHE 65 HE1 PHE 65 4.656 -8.611 11.090 463 HE2 PHE 65 HE2 PHE 65 5.169 -5.569 8.276 464 HZ PHE 65 HZ PHE 65 4.824 -7.901 8.786 465 HA PRO 66 HA PRO 66 2.617 -7.380 14.617 466 HB2 PRO 66 HB2 PRO 66 2.990 -7.873 17.222 467 HB3 PRO 66 HB3 PRO 66 4.261 -7.996 16.204 468 HG2 PRO 66 HG2 PRO 66 3.555 -5.838 17.877 469 HG3 PRO 66 HG3 PRO 66 5.029 -6.499 17.641 470 HD2 PRO 66 HD2 PRO 66 4.317 -4.291 16.398 471 HD3 PRO 66 HD3 PRO 66 5.368 -5.338 15.717 472 H GLU 67 H GLU 67 1.631 -4.713 16.525 473 HA GLU 67 HA GLU 67 -0.749 -5.879 17.377 474 HB2 GLU 67 HB2 GLU 67 0.077 -3.149 17.145 475 HB3 GLU 67 HB3 GLU 67 -1.472 -3.480 17.546 476 HG2 GLU 67 HG2 GLU 67 -0.175 -3.079 19.493 477 HG3 GLU 67 HG3 GLU 67 -0.745 -4.610 19.490 478 H PHE 68 H PHE 68 0.087 -3.993 14.575 479 HA PHE 68 HA PHE 68 -2.362 -3.798 13.397 480 HB2 PHE 68 HB2 PHE 68 -0.477 -2.696 12.485 481 HB3 PHE 68 HB3 PHE 68 0.222 -4.128 12.124 482 HD1 PHE 68 HD1 PHE 68 -2.952 -2.494 11.337 483 HD2 PHE 68 HD2 PHE 68 0.286 -4.661 9.886 484 HE1 PHE 68 HE1 PHE 68 -3.885 -2.397 9.110 485 HE2 PHE 68 HE2 PHE 68 -0.624 -4.547 7.658 486 HZ PHE 68 HZ PHE 68 -2.703 -3.400 7.266 487 H LEU 69 H LEU 69 -0.070 -6.399 13.177 488 HA LEU 69 HA LEU 69 -1.596 -7.984 11.494 489 HB2 LEU 69 HB2 LEU 69 0.753 -8.311 11.805 490 HB3 LEU 69 HB3 LEU 69 0.486 -8.773 13.349 491 HG LEU 69 HG LEU 69 -0.557 -10.755 12.562 492 HD11 LEU 69 HD11 LEU 69 -0.448 -11.373 10.261 493 HD12 LEU 69 HD12 LEU 69 0.166 -9.923 9.895 494 HD13 LEU 69 HD13 LEU 69 -1.350 -10.044 10.445 495 HD21 LEU 69 HD21 LEU 69 1.481 -11.831 11.797 496 HD22 LEU 69 HD22 LEU 69 1.815 -10.833 13.024 497 HD23 LEU 69 HD23 LEU 69 2.134 -10.380 11.505 498 H THR 70 H THR 70 -1.350 -7.858 14.948 499 HA THR 70 HA THR 70 -2.830 -10.099 15.463 500 HB THR 70 HB THR 70 -2.492 -7.780 17.238 501 HG1 THR 70 HG1 THR 70 -0.549 -8.772 16.527 502 HG21 THR 70 HG21 THR 70 -2.914 -9.267 19.070 503 HG22 THR 70 HG22 THR 70 -3.151 -10.493 18.043 504 HG23 THR 70 HG23 THR 70 -4.206 -9.269 18.097 505 H MET 71 H MET 71 -3.929 -6.768 15.250 506 HA MET 71 HA MET 71 -6.532 -7.376 15.913 507 HB2 MET 71 HB2 MET 71 -5.361 -5.119 14.629 508 HB3 MET 71 HB3 MET 71 -6.985 -5.252 14.533 509 HG2 MET 71 HG2 MET 71 -6.937 -4.073 16.309 510 HG3 MET 71 HG3 MET 71 -6.760 -5.535 17.014 511 HE1 MET 71 HE1 MET 71 -3.615 -2.321 16.580 512 HE2 MET 71 HE2 MET 71 -5.213 -2.103 16.468 513 HE3 MET 71 HE3 MET 71 -4.420 -2.892 15.299 514 H MET 72 H MET 72 -4.914 -7.298 12.821 515 HA MET 72 HA MET 72 -7.198 -7.658 11.309 516 HB2 MET 72 HB2 MET 72 -5.003 -6.960 10.451 517 HB3 MET 72 HB3 MET 72 -4.570 -8.535 10.478 518 HG2 MET 72 HG2 MET 72 -6.273 -9.025 8.963 519 HG3 MET 72 HG3 MET 72 -6.698 -7.449 8.934 520 HE1 MET 72 HE1 MET 72 -3.857 -5.707 7.074 521 HE2 MET 72 HE2 MET 72 -4.145 -5.779 8.663 522 HE3 MET 72 HE3 MET 72 -5.367 -5.539 7.630 523 H ALA 73 H ALA 73 -5.304 -9.891 13.034 524 HA ALA 73 HA ALA 73 -6.025 -12.188 11.732 525 HB1 ALA 73 HB1 ALA 73 -4.239 -12.137 13.374 526 HB2 ALA 73 HB2 ALA 73 -5.259 -13.340 13.731 527 HB3 ALA 73 HB3 ALA 73 -5.327 -11.952 14.556 528 H ARG 74 H ARG 74 -7.931 -10.245 13.735 529 HA ARG 74 HA ARG 74 -9.692 -12.137 14.657 530 HB2 ARG 74 HB2 ARG 74 -10.207 -9.336 14.096 531 HB3 ARG 74 HB3 ARG 74 -11.257 -10.265 14.935 532 HG2 ARG 74 HG2 ARG 74 -8.608 -9.608 15.863 533 HG3 ARG 74 HG3 ARG 74 -9.965 -8.853 16.370 534 HD2 ARG 74 HD2 ARG 74 -10.739 -11.021 17.187 535 HD3 ARG 74 HD3 ARG 74 -9.237 -11.588 16.891 536 HE ARG 74 HE ARG 74 -9.052 -9.328 18.501 537 HH11 ARG 74 HH11 ARG 74 -9.899 -12.740 18.723 538 HH12 ARG 74 HH12 ARG 74 -9.528 -12.810 20.414 539 HH21 ARG 74 HH21 ARG 74 -8.618 -9.489 20.661 540 HH22 ARG 74 HH22 ARG 74 -8.813 -10.997 21.492 541 H LYS 75 H LYS 75 -9.333 -10.934 11.534 542 HA LYS 75 HA LYS 75 -11.936 -11.427 10.665 543 HB2 LYS 75 HB2 LYS 75 -10.105 -10.042 9.555 544 HB3 LYS 75 HB3 LYS 75 -9.695 -11.451 8.837 545 HG2 LYS 75 HG2 LYS 75 -11.022 -10.524 7.263 546 HG3 LYS 75 HG3 LYS 75 -12.103 -11.448 8.068 547 HD2 LYS 75 HD2 LYS 75 -12.583 -9.520 9.440 548 HD3 LYS 75 HD3 LYS 75 -11.669 -8.640 8.411 549 HE2 LYS 75 HE2 LYS 75 -13.196 -9.162 6.655 550 HE3 LYS 75 HE3 LYS 75 -14.128 -9.966 7.727 551 HZ1 LYS 75 HZ1 LYS 75 -14.938 -7.730 7.457 552 HZ2 LYS 75 HZ2 LYS 75 -13.499 -7.150 7.911 553 HZ3 LYS 75 HZ3 LYS 75 -14.421 -7.946 8.975 554 H MET 76 H MET 76 -9.287 -13.411 11.178 555 HA MET 76 HA MET 76 -9.967 -15.384 9.294 556 HB2 MET 76 HB2 MET 76 -8.119 -15.562 11.520 557 HB3 MET 76 HB3 MET 76 -8.174 -16.634 10.290 558 HG2 MET 76 HG2 MET 76 -7.517 -14.968 8.801 559 HG3 MET 76 HG3 MET 76 -7.474 -13.887 10.025 560 HE1 MET 76 HE1 MET 76 -4.497 -17.233 9.313 561 HE2 MET 76 HE2 MET 76 -5.573 -16.704 8.228 562 HE3 MET 76 HE3 MET 76 -6.073 -17.527 9.526 563 H LYS 77 H LYS 77 -10.804 -17.517 9.639 564 HA LYS 77 HA LYS 77 -12.196 -17.719 12.152 565 HB2 LYS 77 HB2 LYS 77 -13.616 -17.760 10.168 566 HB3 LYS 77 HB3 LYS 77 -12.951 -19.204 9.795 567 HG2 LYS 77 HG2 LYS 77 -13.718 -19.935 12.033 568 HG3 LYS 77 HG3 LYS 77 -14.656 -18.599 12.019 569 HD2 LYS 77 HD2 LYS 77 -15.898 -19.405 10.268 570 HD3 LYS 77 HD3 LYS 77 -14.861 -20.645 10.036 571 HE2 LYS 77 HE2 LYS 77 -15.392 -21.446 12.259 572 HE3 LYS 77 HE3 LYS 77 -16.504 -20.258 12.391 573 HZ1 LYS 77 HZ1 LYS 77 -17.546 -22.295 11.848 574 HZ2 LYS 77 HZ2 LYS 77 -16.647 -22.415 10.509 575 HZ3 LYS 77 HZ3 LYS 77 -17.749 -21.239 10.640 576 H ASP 78 H ASP 78 -11.880 -19.417 13.490 577 HA ASP 78 HA ASP 78 -9.939 -21.379 12.698 578 HB2 ASP 78 HB2 ASP 78 -9.555 -21.639 15.068 579 HB3 ASP 78 HB3 ASP 78 -9.324 -20.090 14.606 580 H THR 79 H THR 79 -10.387 -23.304 14.631 581 HA THR 79 HA THR 79 -13.083 -24.151 14.185 582 HB THR 79 HB THR 79 -12.247 -26.492 13.868 583 HG1 THR 79 HG1 THR 79 -9.816 -25.553 13.157 584 HG21 THR 79 HG21 THR 79 -11.617 -26.192 11.567 585 HG22 THR 79 HG22 THR 79 -11.349 -24.619 11.827 586 HG23 THR 79 HG23 THR 79 -12.855 -25.205 11.891 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -9.050 -21.499 13.445 2 H2 ALA 1 H2 ALA 1 -7.934 -21.938 12.360 3 H3 ALA 1 H3 ALA 1 -9.211 -21.059 11.898 4 HA ALA 1 HA ALA 1 -8.453 -19.240 13.149 5 HB1 ALA 1 HB1 ALA 1 -7.275 -20.445 14.912 6 HB2 ALA 1 HB2 ALA 1 -6.297 -19.319 14.287 7 HB3 ALA 1 HB3 ALA 1 -6.124 -20.869 13.858 8 H ASP 2 H ASP 2 -7.080 -17.596 12.248 9 HA ASP 2 HA ASP 2 -6.555 -18.094 9.565 10 HB2 ASP 2 HB2 ASP 2 -7.122 -15.901 10.556 11 HB3 ASP 2 HB3 ASP 2 -5.571 -15.809 11.057 12 H GLN 3 H GLN 3 -4.623 -18.101 8.357 13 HA GLN 3 HA GLN 3 -2.138 -18.282 9.757 14 HB2 GLN 3 HB2 GLN 3 -3.167 -20.473 8.207 15 HB3 GLN 3 HB3 GLN 3 -1.557 -20.286 8.407 16 HG2 GLN 3 HG2 GLN 3 -3.297 -20.612 10.663 17 HG3 GLN 3 HG3 GLN 3 -2.659 -21.903 9.893 18 HE21 GLN 3 HE21 GLN 3 -1.757 -22.490 11.973 19 HE22 GLN 3 HE22 GLN 3 -0.270 -21.746 12.454 20 H LEU 4 H LEU 4 -0.556 -17.226 8.480 21 HA LEU 4 HA LEU 4 -1.362 -16.575 5.786 22 HB2 LEU 4 HB2 LEU 4 0.619 -15.244 7.411 23 HB3 LEU 4 HB3 LEU 4 0.169 -14.751 5.920 24 HG LEU 4 HG LEU 4 -1.540 -14.666 8.233 25 HD11 LEU 4 HD11 LEU 4 -1.196 -12.263 8.128 26 HD12 LEU 4 HD12 LEU 4 -0.175 -12.466 6.892 27 HD13 LEU 4 HD13 LEU 4 0.218 -13.011 8.362 28 HD21 LEU 4 HD21 LEU 4 -3.066 -13.408 6.900 29 HD22 LEU 4 HD22 LEU 4 -2.854 -14.884 6.272 30 HD23 LEU 4 HD23 LEU 4 -2.113 -13.607 5.609 31 H THR 5 H THR 5 0.215 -16.715 4.013 32 HA THR 5 HA THR 5 2.148 -18.734 4.578 33 HB THR 5 HB THR 5 2.406 -18.989 2.174 34 HG1 THR 5 HG1 THR 5 0.404 -17.333 1.545 35 HG21 THR 5 HG21 THR 5 0.186 -19.753 1.667 36 HG22 THR 5 HG22 THR 5 -0.406 -18.917 2.917 37 HG23 THR 5 HG23 THR 5 0.548 -20.196 3.179 38 H GLU 6 H GLU 6 4.423 -18.523 3.877 39 HA GLU 6 HA GLU 6 5.518 -16.105 4.603 40 HB2 GLU 6 HB2 GLU 6 6.742 -18.220 3.041 41 HB3 GLU 6 HB3 GLU 6 7.594 -17.039 3.780 42 HG2 GLU 6 HG2 GLU 6 6.934 -17.861 5.896 43 HG3 GLU 6 HG3 GLU 6 6.027 -19.014 5.179 44 H GLU 7 H GLU 7 4.547 -17.265 1.560 45 HA GLU 7 HA GLU 7 5.785 -15.441 -0.092 46 HB2 GLU 7 HB2 GLU 7 4.578 -17.475 -0.743 47 HB3 GLU 7 HB3 GLU 7 3.186 -16.654 -0.513 48 HG2 GLU 7 HG2 GLU 7 3.670 -15.257 -2.318 49 HG3 GLU 7 HG3 GLU 7 5.126 -15.971 -2.512 50 H GLN 8 H GLN 8 2.760 -15.241 1.591 51 HA GLN 8 HA GLN 8 2.028 -12.788 0.472 52 HB2 GLN 8 HB2 GLN 8 1.041 -14.133 2.844 53 HB3 GLN 8 HB3 GLN 8 0.325 -12.797 2.235 54 HG2 GLN 8 HG2 GLN 8 -0.398 -13.927 0.370 55 HG3 GLN 8 HG3 GLN 8 0.558 -15.209 0.699 56 HE21 GLN 8 HE21 GLN 8 -2.415 -14.749 0.335 57 HE22 GLN 8 HE22 GLN 8 -3.107 -15.600 1.676 58 H ILE 9 H ILE 9 3.734 -13.728 3.298 59 HA ILE 9 HA ILE 9 3.656 -11.287 4.599 60 HB ILE 9 HB ILE 9 5.585 -13.451 4.936 61 HG12 ILE 9 HG12 ILE 9 3.372 -12.777 6.677 62 HG13 ILE 9 HG13 ILE 9 3.224 -13.884 5.485 63 HG21 ILE 9 HG21 ILE 9 6.228 -12.448 7.051 64 HG22 ILE 9 HG22 ILE 9 5.258 -11.189 6.757 65 HG23 ILE 9 HG23 ILE 9 6.570 -11.430 5.844 66 HD11 ILE 9 HD11 ILE 9 3.553 -14.985 7.587 67 HD12 ILE 9 HD12 ILE 9 4.953 -14.204 7.795 68 HD13 ILE 9 HD13 ILE 9 4.807 -15.299 6.615 69 H ALA 10 H ALA 10 5.714 -12.451 2.084 70 HA ALA 10 HA ALA 10 7.669 -10.530 2.274 71 HB1 ALA 10 HB1 ALA 10 7.901 -12.431 0.800 72 HB2 ALA 10 HB2 ALA 10 8.185 -11.076 -0.036 73 HB3 ALA 10 HB3 ALA 10 6.759 -11.826 -0.173 74 H GLU 11 H GLU 11 4.723 -10.471 0.402 75 HA GLU 11 HA GLU 11 4.994 -7.902 -0.630 76 HB2 GLU 11 HB2 GLU 11 3.418 -9.543 -1.454 77 HB3 GLU 11 HB3 GLU 11 2.537 -9.350 -0.093 78 HG2 GLU 11 HG2 GLU 11 1.399 -8.159 -1.648 79 HG3 GLU 11 HG3 GLU 11 2.220 -7.019 -0.817 80 H PHE 12 H PHE 12 3.500 -9.149 2.204 81 HA PHE 12 HA PHE 12 2.284 -6.906 3.153 82 HB2 PHE 12 HB2 PHE 12 2.206 -9.257 4.018 83 HB3 PHE 12 HB3 PHE 12 3.525 -8.861 4.895 84 HD1 PHE 12 HD1 PHE 12 0.040 -8.705 4.724 85 HD2 PHE 12 HD2 PHE 12 3.338 -7.123 6.693 86 HE1 PHE 12 HE1 PHE 12 -1.401 -7.920 6.475 87 HE2 PHE 12 HE2 PHE 12 1.908 -6.308 8.448 88 HZ PHE 12 HZ PHE 12 -0.473 -6.737 8.356 89 H LYS 13 H LYS 13 5.550 -7.954 3.664 90 HA LYS 13 HA LYS 13 6.200 -5.960 5.437 91 HB2 LYS 13 HB2 LYS 13 7.571 -7.925 5.131 92 HB3 LYS 13 HB3 LYS 13 8.036 -7.357 3.672 93 HG2 LYS 13 HG2 LYS 13 8.988 -5.439 4.871 94 HG3 LYS 13 HG3 LYS 13 8.758 -6.296 6.242 95 HD2 LYS 13 HD2 LYS 13 10.230 -7.939 5.515 96 HD3 LYS 13 HD3 LYS 13 10.383 -7.203 4.065 97 HE2 LYS 13 HE2 LYS 13 11.282 -5.267 5.231 98 HE3 LYS 13 HE3 LYS 13 11.294 -6.162 6.598 99 HZ1 LYS 13 HZ1 LYS 13 13.438 -6.162 5.603 100 HZ2 LYS 13 HZ2 LYS 13 12.819 -6.774 4.241 101 HZ3 LYS 13 HZ3 LYS 13 12.830 -7.660 5.593 102 H GLU 14 H GLU 14 6.588 -6.103 1.955 103 HA GLU 14 HA GLU 14 7.990 -3.721 1.809 104 HB2 GLU 14 HB2 GLU 14 7.912 -5.346 0.014 105 HB3 GLU 14 HB3 GLU 14 6.429 -4.778 -0.367 106 HG2 GLU 14 HG2 GLU 14 7.251 -2.804 -1.133 107 HG3 GLU 14 HG3 GLU 14 8.651 -2.968 -0.306 108 H ALA 15 H ALA 15 4.576 -4.387 1.600 109 HA ALA 15 HA ALA 15 3.791 -1.824 1.001 110 HB1 ALA 15 HB1 ALA 15 2.262 -3.672 0.877 111 HB2 ALA 15 HB2 ALA 15 1.604 -2.495 1.768 112 HB3 ALA 15 HB3 ALA 15 2.256 -3.787 2.489 113 H PHE 16 H PHE 16 4.447 -3.289 4.078 114 HA PHE 16 HA PHE 16 3.575 -1.148 5.649 115 HB2 PHE 16 HB2 PHE 16 4.051 -3.461 6.398 116 HB3 PHE 16 HB3 PHE 16 5.621 -3.014 6.458 117 HD1 PHE 16 HD1 PHE 16 6.415 -1.434 8.194 118 HD2 PHE 16 HD2 PHE 16 2.472 -2.766 8.094 119 HE1 PHE 16 HE1 PHE 16 6.099 -0.658 10.460 120 HE2 PHE 16 HE2 PHE 16 2.144 -1.991 10.356 121 HZ PHE 16 HZ PHE 16 3.965 -0.950 11.550 122 H SER 17 H SER 17 6.618 -2.014 4.270 123 HA SER 17 HA SER 17 8.136 -0.055 5.417 124 HB2 SER 17 HB2 SER 17 9.072 -2.011 4.258 125 HB3 SER 17 HB3 SER 17 8.695 -1.308 2.833 126 HG SER 17 HG SER 17 10.051 0.472 3.654 127 H LEU 18 H LEU 18 5.931 0.272 2.898 128 HA LEU 18 HA LEU 18 7.094 2.559 1.790 129 HB2 LEU 18 HB2 LEU 18 4.410 1.519 1.559 130 HB3 LEU 18 HB3 LEU 18 4.871 2.863 0.754 131 HG LEU 18 HG LEU 18 6.061 0.288 0.299 132 HD11 LEU 18 HD11 LEU 18 4.699 0.181 -1.701 133 HD12 LEU 18 HD12 LEU 18 3.977 1.565 -1.279 134 HD13 LEU 18 HD13 LEU 18 3.754 0.233 -0.389 135 HD21 LEU 18 HD21 LEU 18 6.971 1.264 -1.694 136 HD22 LEU 18 HD22 LEU 18 7.492 2.067 -0.391 137 HD23 LEU 18 HD23 LEU 18 6.310 2.688 -1.303 138 H PHE 19 H PHE 19 5.201 1.990 4.534 139 HA PHE 19 HA PHE 19 4.700 4.785 4.751 140 HB2 PHE 19 HB2 PHE 19 3.036 2.615 5.755 141 HB3 PHE 19 HB3 PHE 19 2.706 4.175 6.112 142 HD1 PHE 19 HD1 PHE 19 1.778 5.687 4.418 143 HD2 PHE 19 HD2 PHE 19 2.563 1.703 3.549 144 HE1 PHE 19 HE1 PHE 19 0.487 5.882 2.387 145 HE2 PHE 19 HE2 PHE 19 1.281 1.877 1.518 146 HZ PHE 19 HZ PHE 19 0.245 3.972 0.927 147 H ASP 20 H ASP 20 6.390 2.446 6.368 148 HA ASP 20 HA ASP 20 6.355 3.764 8.896 149 HB2 ASP 20 HB2 ASP 20 7.858 2.145 9.651 150 HB3 ASP 20 HB3 ASP 20 6.721 1.387 8.756 151 H LYS 21 H LYS 21 6.920 5.435 6.845 152 HA LYS 21 HA LYS 21 9.558 5.814 6.194 153 HB2 LYS 21 HB2 LYS 21 7.575 6.665 5.014 154 HB3 LYS 21 HB3 LYS 21 7.382 7.758 6.211 155 HG2 LYS 21 HG2 LYS 21 9.452 8.762 5.543 156 HG3 LYS 21 HG3 LYS 21 9.484 7.744 4.267 157 HD2 LYS 21 HD2 LYS 21 7.463 8.636 3.476 158 HD3 LYS 21 HD3 LYS 21 7.367 9.615 4.780 159 HE2 LYS 21 HE2 LYS 21 9.408 10.673 4.063 160 HE3 LYS 21 HE3 LYS 21 9.351 9.773 2.702 161 HZ1 LYS 21 HZ1 LYS 21 8.408 11.915 2.304 162 HZ2 LYS 21 HZ2 LYS 21 7.330 11.667 3.484 163 HZ3 LYS 21 HZ3 LYS 21 7.273 10.775 2.136 164 H ASP 22 H ASP 22 7.900 6.779 8.932 165 HA ASP 22 HA ASP 22 9.480 8.951 9.599 166 HB2 ASP 22 HB2 ASP 22 7.783 7.298 11.242 167 HB3 ASP 22 HB3 ASP 22 8.504 8.644 11.822 168 H GLY 23 H GLY 23 10.082 5.649 9.752 169 HA2 GLY 23 HA2 GLY 23 12.192 4.791 10.039 170 HA3 GLY 23 HA3 GLY 23 12.704 6.178 10.734 171 H ASP 24 H ASP 24 9.907 5.253 12.105 172 HA ASP 24 HA ASP 24 11.248 4.255 14.409 173 HB2 ASP 24 HB2 ASP 24 9.036 4.605 15.482 174 HB3 ASP 24 HB3 ASP 24 9.757 5.963 14.931 175 H GLY 25 H GLY 25 9.470 3.028 11.855 176 HA2 GLY 25 HA2 GLY 25 9.235 0.796 11.422 177 HA3 GLY 25 HA3 GLY 25 9.650 0.416 12.955 178 H THR 26 H THR 26 7.211 2.699 12.655 179 HA THR 26 HA THR 26 5.127 0.719 12.945 180 HB THR 26 HB THR 26 5.435 1.431 15.185 181 HG1 THR 26 HG1 THR 26 3.339 1.238 14.978 182 HG21 THR 26 HG21 THR 26 5.368 3.713 15.830 183 HG22 THR 26 HG22 THR 26 5.203 4.163 14.286 184 HG23 THR 26 HG23 THR 26 6.585 3.493 14.790 185 H ILE 27 H ILE 27 2.904 1.697 12.491 186 HA ILE 27 HA ILE 27 3.170 4.012 10.815 187 HB ILE 27 HB ILE 27 1.589 3.158 9.204 188 HG12 ILE 27 HG12 ILE 27 1.622 0.654 10.618 189 HG13 ILE 27 HG13 ILE 27 0.406 1.735 10.761 190 HG21 ILE 27 HG21 ILE 27 3.007 1.521 8.164 191 HG22 ILE 27 HG22 ILE 27 3.842 1.358 9.540 192 HG23 ILE 27 HG23 ILE 27 3.901 2.750 8.719 193 HD11 ILE 27 HD11 ILE 27 -0.202 0.020 9.232 194 HD12 ILE 27 HD12 ILE 27 1.081 0.365 8.310 195 HD13 ILE 27 HD13 ILE 27 -0.122 1.436 8.452 196 H THR 28 H THR 28 1.024 5.246 10.581 197 HA THR 28 HA THR 28 -0.140 5.191 13.129 198 HB THR 28 HB THR 28 -1.041 7.323 12.684 199 HG1 THR 28 HG1 THR 28 -2.197 7.573 11.025 200 HG21 THR 28 HG21 THR 28 0.615 8.570 11.489 201 HG22 THR 28 HG22 THR 28 1.219 7.205 10.866 202 HG23 THR 28 HG23 THR 28 1.360 7.502 12.449 203 H THR 29 H THR 29 -2.550 5.419 13.475 204 HA THR 29 HA THR 29 -3.911 3.376 12.358 205 HB THR 29 HB THR 29 -5.963 4.770 13.208 206 HG1 THR 29 HG1 THR 29 -4.829 6.285 14.816 207 HG21 THR 29 HG21 THR 29 -5.468 4.259 15.479 208 HG22 THR 29 HG22 THR 29 -3.911 4.025 15.107 209 HG23 THR 29 HG23 THR 29 -5.037 3.002 14.557 210 H LYS 30 H LYS 30 -3.375 6.395 10.984 211 HA LYS 30 HA LYS 30 -5.686 6.440 9.371 212 HB2 LYS 30 HB2 LYS 30 -3.278 7.984 8.944 213 HB3 LYS 30 HB3 LYS 30 -4.760 8.358 8.368 214 HG2 LYS 30 HG2 LYS 30 -3.996 8.482 11.147 215 HG3 LYS 30 HG3 LYS 30 -4.204 9.779 10.178 216 HD2 LYS 30 HD2 LYS 30 -6.525 9.264 10.000 217 HD3 LYS 30 HD3 LYS 30 -6.310 7.982 10.988 218 HE2 LYS 30 HE2 LYS 30 -5.633 9.465 12.736 219 HE3 LYS 30 HE3 LYS 30 -5.904 10.736 11.746 220 HZ1 LYS 30 HZ1 LYS 30 -7.754 10.423 13.202 221 HZ2 LYS 30 HZ2 LYS 30 -7.946 8.915 12.653 222 HZ3 LYS 30 HZ3 LYS 30 -8.216 10.173 11.673 223 H GLU 31 H GLU 31 -2.408 5.505 9.009 224 HA GLU 31 HA GLU 31 -2.639 4.917 6.268 225 HB2 GLU 31 HB2 GLU 31 -0.524 4.716 8.187 226 HB3 GLU 31 HB3 GLU 31 -0.350 3.876 6.798 227 HG2 GLU 31 HG2 GLU 31 0.722 5.969 6.611 228 HG3 GLU 31 HG3 GLU 31 -0.522 5.887 5.557 229 H LEU 32 H LEU 32 -3.493 3.291 8.994 230 HA LEU 32 HA LEU 32 -3.011 0.667 8.453 231 HB2 LEU 32 HB2 LEU 32 -4.158 1.714 10.389 232 HB3 LEU 32 HB3 LEU 32 -5.527 1.588 9.508 233 HG LEU 32 HG LEU 32 -4.083 -0.570 10.697 234 HD11 LEU 32 HD11 LEU 32 -6.175 -0.792 11.994 235 HD12 LEU 32 HD12 LEU 32 -6.792 0.463 11.183 236 HD13 LEU 32 HD13 LEU 32 -5.558 0.688 12.203 237 HD21 LEU 32 HD21 LEU 32 -5.723 -2.098 9.949 238 HD22 LEU 32 HD22 LEU 32 -4.920 -1.452 8.702 239 HD23 LEU 32 HD23 LEU 32 -6.408 -0.933 9.061 240 H GLY 33 H GLY 33 -5.707 2.600 7.357 241 HA2 GLY 33 HA2 GLY 33 -6.918 0.583 5.876 242 HA3 GLY 33 HA3 GLY 33 -7.203 2.183 5.715 243 H THR 34 H THR 34 -4.558 2.951 5.040 244 HA THR 34 HA THR 34 -4.695 2.569 2.318 245 HB THR 34 HB THR 34 -2.238 3.483 3.603 246 HG1 THR 34 HG1 THR 34 -3.381 4.817 4.704 247 HG21 THR 34 HG21 THR 34 -2.147 5.020 1.777 248 HG22 THR 34 HG22 THR 34 -3.577 4.494 1.237 249 HG23 THR 34 HG23 THR 34 -2.285 3.524 1.181 250 H VAL 35 H VAL 35 -2.504 1.209 4.673 251 HA VAL 35 HA VAL 35 -1.001 -0.253 2.879 252 HB VAL 35 HB VAL 35 -1.418 -0.764 5.725 253 HG11 VAL 35 HG11 VAL 35 0.510 -2.217 5.695 254 HG12 VAL 35 HG12 VAL 35 0.625 -2.041 4.092 255 HG13 VAL 35 HG13 VAL 35 -0.640 -2.819 4.731 256 HG21 VAL 35 HG21 VAL 35 0.742 0.249 6.019 257 HG22 VAL 35 HG22 VAL 35 -0.263 1.288 5.292 258 HG23 VAL 35 HG23 VAL 35 0.846 0.493 4.423 259 H MET 36 H MET 36 -3.821 -1.070 4.748 260 HA MET 36 HA MET 36 -3.973 -3.697 3.985 261 HB2 MET 36 HB2 MET 36 -5.251 -2.870 5.789 262 HB3 MET 36 HB3 MET 36 -6.099 -1.903 4.782 263 HG2 MET 36 HG2 MET 36 -7.303 -3.505 4.016 264 HG3 MET 36 HG3 MET 36 -6.173 -4.640 4.330 265 HE1 MET 36 HE1 MET 36 -8.442 -2.771 7.755 266 HE2 MET 36 HE2 MET 36 -8.532 -2.185 6.252 267 HE3 MET 36 HE3 MET 36 -7.126 -2.149 7.051 268 H ARG 37 H ARG 37 -5.259 -0.875 2.371 269 HA ARG 37 HA ARG 37 -6.670 -2.328 0.497 270 HB2 ARG 37 HB2 ARG 37 -6.954 0.073 0.876 271 HB3 ARG 37 HB3 ARG 37 -5.619 0.311 -0.033 272 HG2 ARG 37 HG2 ARG 37 -6.788 -0.849 -1.843 273 HG3 ARG 37 HG3 ARG 37 -8.139 -0.747 -0.930 274 HD2 ARG 37 HD2 ARG 37 -8.084 1.588 -1.058 275 HD3 ARG 37 HD3 ARG 37 -6.678 1.532 -1.885 276 HE ARG 37 HE ARG 37 -8.641 0.020 -3.200 277 HH11 ARG 37 HH11 ARG 37 -7.588 3.354 -2.802 278 HH12 ARG 37 HH12 ARG 37 -8.312 3.848 -4.296 279 HH21 ARG 37 HH21 ARG 37 -9.517 0.715 -5.097 280 HH22 ARG 37 HH22 ARG 37 -9.388 2.374 -5.576 281 H SER 38 H SER 38 -3.376 -1.277 0.547 282 HA SER 38 HA SER 38 -2.722 -1.796 -2.054 283 HB2 SER 38 HB2 SER 38 -0.959 -2.090 0.252 284 HB3 SER 38 HB3 SER 38 -0.424 -1.908 -1.280 285 HG SER 38 HG SER 38 -2.114 0.001 -0.412 286 H LEU 39 H LEU 39 -3.117 -3.966 0.554 287 HA LEU 39 HA LEU 39 -1.968 -6.164 -0.746 288 HB2 LEU 39 HB2 LEU 39 -3.691 -6.139 1.591 289 HB3 LEU 39 HB3 LEU 39 -2.789 -7.426 1.145 290 HG LEU 39 HG LEU 39 -1.628 -4.939 2.005 291 HD11 LEU 39 HD11 LEU 39 -1.232 -6.024 4.128 292 HD12 LEU 39 HD12 LEU 39 -2.040 -7.326 3.611 293 HD13 LEU 39 HD13 LEU 39 -2.821 -5.929 3.842 294 HD21 LEU 39 HD21 LEU 39 0.405 -6.166 2.237 295 HD22 LEU 39 HD22 LEU 39 -0.110 -6.217 0.705 296 HD23 LEU 39 HD23 LEU 39 -0.325 -7.494 1.674 297 H GLY 40 H GLY 40 -4.560 -4.667 -1.663 298 HA2 GLY 40 HA2 GLY 40 -6.067 -5.424 -3.213 299 HA3 GLY 40 HA3 GLY 40 -5.698 -6.977 -2.870 300 H GLN 41 H GLN 41 -6.225 -5.543 -0.022 301 HA GLN 41 HA GLN 41 -8.693 -6.830 0.304 302 HB2 GLN 41 HB2 GLN 41 -6.761 -6.022 1.962 303 HB3 GLN 41 HB3 GLN 41 -8.011 -5.051 2.363 304 HG2 GLN 41 HG2 GLN 41 -8.220 -7.911 2.400 305 HG3 GLN 41 HG3 GLN 41 -7.802 -7.046 3.721 306 HE21 GLN 41 HE21 GLN 41 -9.307 -5.968 4.940 307 HE22 GLN 41 HE22 GLN 41 -11.002 -6.086 4.599 308 H ASN 42 H ASN 42 -10.740 -5.977 0.844 309 HA ASN 42 HA ASN 42 -11.122 -3.178 0.189 310 HB2 ASN 42 HB2 ASN 42 -11.938 -4.615 -1.573 311 HB3 ASN 42 HB3 ASN 42 -12.986 -5.270 -0.505 312 HD21 ASN 42 HD21 ASN 42 -15.000 -4.568 -0.578 313 HD22 ASN 42 HD22 ASN 42 -15.447 -2.982 -1.110 314 HA PRO 43 HA PRO 43 -12.716 -4.275 4.261 315 HB2 PRO 43 HB2 PRO 43 -11.659 -2.322 5.770 316 HB3 PRO 43 HB3 PRO 43 -10.675 -3.537 5.297 317 HG2 PRO 43 HG2 PRO 43 -11.031 -0.997 4.020 318 HG3 PRO 43 HG3 PRO 43 -9.621 -1.696 4.455 319 HD2 PRO 43 HD2 PRO 43 -10.449 -1.922 2.017 320 HD3 PRO 43 HD3 PRO 43 -9.694 -3.185 2.726 321 H THR 44 H THR 44 -14.358 -3.699 5.608 322 HA THR 44 HA THR 44 -16.068 -1.732 4.569 323 HB THR 44 HB THR 44 -16.654 -2.609 7.207 324 HG1 THR 44 HG1 THR 44 -15.387 -4.328 6.037 325 HG21 THR 44 HG21 THR 44 -18.748 -3.211 6.234 326 HG22 THR 44 HG22 THR 44 -18.155 -2.958 4.752 327 HG23 THR 44 HG23 THR 44 -18.369 -1.713 5.761 328 H GLU 45 H GLU 45 -16.440 0.390 5.346 329 HA GLU 45 HA GLU 45 -14.375 1.553 6.736 330 HB2 GLU 45 HB2 GLU 45 -15.647 3.555 6.667 331 HB3 GLU 45 HB3 GLU 45 -15.834 2.771 5.247 332 HG2 GLU 45 HG2 GLU 45 -17.805 2.887 7.359 333 HG3 GLU 45 HG3 GLU 45 -17.917 3.646 5.916 334 H ALA 46 H ALA 46 -17.281 0.185 7.899 335 HA ALA 46 HA ALA 46 -17.237 1.336 10.406 336 HB1 ALA 46 HB1 ALA 46 -19.218 0.224 9.515 337 HB2 ALA 46 HB2 ALA 46 -18.875 -0.391 10.971 338 HB3 ALA 46 HB3 ALA 46 -18.471 -1.205 9.634 339 H GLU 47 H GLU 47 -15.749 -1.537 9.213 340 HA GLU 47 HA GLU 47 -15.092 -2.630 11.658 341 HB2 GLU 47 HB2 GLU 47 -13.728 -2.992 9.119 342 HB3 GLU 47 HB3 GLU 47 -13.494 -3.972 10.403 343 HG2 GLU 47 HG2 GLU 47 -16.061 -3.737 9.159 344 HG3 GLU 47 HG3 GLU 47 -14.964 -4.834 8.649 345 H LEU 48 H LEU 48 -13.534 -0.278 9.727 346 HA LEU 48 HA LEU 48 -11.054 -0.376 10.889 347 HB2 LEU 48 HB2 LEU 48 -12.352 1.955 9.758 348 HB3 LEU 48 HB3 LEU 48 -10.742 1.846 10.003 349 HG LEU 48 HG LEU 48 -12.145 0.249 8.075 350 HD11 LEU 48 HD11 LEU 48 -11.219 1.756 6.415 351 HD12 LEU 48 HD12 LEU 48 -10.587 2.663 7.594 352 HD13 LEU 48 HD13 LEU 48 -12.191 2.572 7.417 353 HD21 LEU 48 HD21 LEU 48 -9.993 -0.281 7.199 354 HD22 LEU 48 HD22 LEU 48 -10.113 -0.776 8.733 355 HD23 LEU 48 HD23 LEU 48 -9.295 0.575 8.382 356 H GLN 49 H GLN 49 -13.934 1.251 11.848 357 HA GLN 49 HA GLN 49 -12.823 2.917 13.742 358 HB2 GLN 49 HB2 GLN 49 -15.077 3.147 12.930 359 HB3 GLN 49 HB3 GLN 49 -15.496 1.796 13.744 360 HG2 GLN 49 HG2 GLN 49 -16.269 3.682 14.917 361 HG3 GLN 49 HG3 GLN 49 -15.122 2.933 15.805 362 HE21 GLN 49 HE21 GLN 49 -14.893 5.178 13.142 363 HE22 GLN 49 HE22 GLN 49 -13.961 6.362 13.995 364 H ASP 50 H ASP 50 -14.041 -0.326 14.006 365 HA ASP 50 HA ASP 50 -13.786 -0.489 16.759 366 HB2 ASP 50 HB2 ASP 50 -15.045 -2.020 15.245 367 HB3 ASP 50 HB3 ASP 50 -13.629 -2.815 15.065 368 H MET 51 H MET 51 -11.587 -1.292 14.190 369 HA MET 51 HA MET 51 -9.675 -2.432 15.823 370 HB2 MET 51 HB2 MET 51 -9.254 -1.195 13.238 371 HB3 MET 51 HB3 MET 51 -8.155 -2.161 13.962 372 HG2 MET 51 HG2 MET 51 -9.897 -3.851 13.932 373 HG3 MET 51 HG3 MET 51 -10.659 -2.876 12.867 374 HE1 MET 51 HE1 MET 51 -8.450 -2.890 9.800 375 HE2 MET 51 HE2 MET 51 -8.622 -1.768 10.951 376 HE3 MET 51 HE3 MET 51 -9.919 -2.543 10.376 377 H ILE 52 H ILE 52 -10.239 0.852 14.951 378 HA ILE 52 HA ILE 52 -7.842 1.852 15.962 379 HB ILE 52 HB ILE 52 -10.349 3.229 15.422 380 HG12 ILE 52 HG12 ILE 52 -7.856 3.562 14.002 381 HG13 ILE 52 HG13 ILE 52 -8.908 2.386 13.578 382 HG21 ILE 52 HG21 ILE 52 -9.227 5.355 15.729 383 HG22 ILE 52 HG22 ILE 52 -7.890 4.587 16.215 384 HG23 ILE 52 HG23 ILE 52 -9.228 4.533 17.122 385 HD11 ILE 52 HD11 ILE 52 -9.171 4.278 12.133 386 HD12 ILE 52 HD12 ILE 52 -9.487 5.225 13.406 387 HD13 ILE 52 HD13 ILE 52 -10.529 4.061 12.986 388 H ASN 53 H ASN 53 -10.916 1.154 17.389 389 HA ASN 53 HA ASN 53 -10.466 2.470 19.771 390 HB2 ASN 53 HB2 ASN 53 -12.354 0.495 18.956 391 HB3 ASN 53 HB3 ASN 53 -12.184 0.683 20.569 392 HD21 ASN 53 HD21 ASN 53 -12.825 2.453 17.653 393 HD22 ASN 53 HD22 ASN 53 -13.871 3.624 18.384 394 H GLU 54 H GLU 54 -9.314 -0.548 18.668 395 HA GLU 54 HA GLU 54 -8.704 -1.609 21.160 396 HB2 GLU 54 HB2 GLU 54 -8.755 -2.954 19.160 397 HB3 GLU 54 HB3 GLU 54 -7.393 -2.214 18.643 398 HG2 GLU 54 HG2 GLU 54 -6.086 -3.350 20.055 399 HG3 GLU 54 HG3 GLU 54 -7.300 -3.617 21.114 400 H VAL 55 H VAL 55 -6.937 0.482 19.048 401 HA VAL 55 HA VAL 55 -4.607 0.341 20.668 402 HB VAL 55 HB VAL 55 -4.770 0.641 18.090 403 HG11 VAL 55 HG11 VAL 55 -4.330 2.866 17.362 404 HG12 VAL 55 HG12 VAL 55 -4.523 3.406 18.874 405 HG13 VAL 55 HG13 VAL 55 -5.780 2.779 18.072 406 HG21 VAL 55 HG21 VAL 55 -2.476 1.344 18.045 407 HG22 VAL 55 HG22 VAL 55 -2.695 0.210 19.176 408 HG23 VAL 55 HG23 VAL 55 -2.574 1.765 19.603 409 H ASP 56 H ASP 56 -7.325 1.904 21.082 410 HA ASP 56 HA ASP 56 -6.559 4.458 21.792 411 HB2 ASP 56 HB2 ASP 56 -8.871 3.262 21.731 412 HB3 ASP 56 HB3 ASP 56 -8.639 3.314 23.347 413 H ALA 57 H ALA 57 -6.130 1.481 23.336 414 HA ALA 57 HA ALA 57 -5.707 2.312 25.919 415 HB1 ALA 57 HB1 ALA 57 -5.964 -0.034 25.331 416 HB2 ALA 57 HB2 ALA 57 -4.609 0.144 26.196 417 HB3 ALA 57 HB3 ALA 57 -4.527 -0.012 24.589 418 H ASP 58 H ASP 58 -3.592 2.260 23.209 419 HA ASP 58 HA ASP 58 -1.291 2.946 24.732 420 HB2 ASP 58 HB2 ASP 58 -1.653 2.719 21.867 421 HB3 ASP 58 HB3 ASP 58 -0.199 2.991 22.559 422 H GLY 59 H GLY 59 -3.760 4.502 23.088 423 HA2 GLY 59 HA2 GLY 59 -4.314 6.655 23.070 424 HA3 GLY 59 HA3 GLY 59 -3.073 6.989 24.078 425 H ASN 60 H ASN 60 -1.182 5.995 21.900 426 HA ASN 60 HA ASN 60 -0.910 8.575 20.792 427 HB2 ASN 60 HB2 ASN 60 0.798 6.231 20.647 428 HB3 ASN 60 HB3 ASN 60 1.197 7.595 19.842 429 HD21 ASN 60 HD21 ASN 60 1.799 5.912 22.511 430 HD22 ASN 60 HD22 ASN 60 2.320 7.191 23.556 431 H GLY 61 H GLY 61 -2.283 5.734 19.693 432 HA2 GLY 61 HA2 GLY 61 -3.366 5.437 17.719 433 HA3 GLY 61 HA3 GLY 61 -2.957 6.947 17.249 434 H THR 62 H THR 62 -0.385 5.051 18.160 435 HA THR 62 HA THR 62 0.501 4.662 15.445 436 HB THR 62 HB THR 62 2.635 4.055 16.608 437 HG1 THR 62 HG1 THR 62 1.448 3.676 18.604 438 HG21 THR 62 HG21 THR 62 3.214 6.337 17.081 439 HG22 THR 62 HG22 THR 62 1.650 6.746 17.109 440 HG23 THR 62 HG23 THR 62 2.344 6.301 15.718 441 H ILE 63 H ILE 63 1.053 2.469 14.714 442 HA ILE 63 HA ILE 63 0.050 0.463 16.495 443 HB ILE 63 HB ILE 63 -0.275 0.309 13.593 444 HG12 ILE 63 HG12 ILE 63 -2.426 0.819 15.444 445 HG13 ILE 63 HG13 ILE 63 -1.678 2.015 14.619 446 HG21 ILE 63 HG21 ILE 63 -1.698 -1.605 14.048 447 HG22 ILE 63 HG22 ILE 63 -1.408 -1.448 15.631 448 HG23 ILE 63 HG23 ILE 63 -0.215 -1.879 14.629 449 HD11 ILE 63 HD11 ILE 63 -3.713 1.424 13.535 450 HD12 ILE 63 HD12 ILE 63 -3.205 -0.104 13.383 451 HD13 ILE 63 HD13 ILE 63 -2.465 1.079 12.567 452 H ASP 64 H ASP 64 1.738 -0.717 17.229 453 HA ASP 64 HA ASP 64 4.126 -0.943 15.861 454 HB2 ASP 64 HB2 ASP 64 3.053 -2.303 18.137 455 HB3 ASP 64 HB3 ASP 64 4.416 -2.903 17.469 456 H PHE 65 H PHE 65 5.101 -2.755 14.733 457 HA PHE 65 HA PHE 65 3.473 -3.833 12.901 458 HB2 PHE 65 HB2 PHE 65 5.912 -3.734 12.767 459 HB3 PHE 65 HB3 PHE 65 5.983 -5.052 13.729 460 HD1 PHE 65 HD1 PHE 65 5.840 -7.254 12.816 461 HD2 PHE 65 HD2 PHE 65 4.957 -3.949 10.449 462 HE1 PHE 65 HE1 PHE 65 5.817 -8.670 10.858 463 HE2 PHE 65 HE2 PHE 65 4.896 -5.353 8.490 464 HZ PHE 65 HZ PHE 65 5.344 -7.717 8.687 465 HA PRO 66 HA PRO 66 2.877 -7.881 14.878 466 HB2 PRO 66 HB2 PRO 66 2.907 -8.152 17.557 467 HB3 PRO 66 HB3 PRO 66 4.281 -8.414 16.713 468 HG2 PRO 66 HG2 PRO 66 3.473 -6.000 18.014 469 HG3 PRO 66 HG3 PRO 66 4.908 -6.768 18.143 470 HD2 PRO 66 HD2 PRO 66 4.717 -4.785 16.520 471 HD3 PRO 66 HD3 PRO 66 5.584 -6.090 16.060 472 H GLU 67 H GLU 67 1.779 -5.137 16.661 473 HA GLU 67 HA GLU 67 -0.748 -6.204 17.154 474 HB2 GLU 67 HB2 GLU 67 0.347 -3.584 17.312 475 HB3 GLU 67 HB3 GLU 67 -1.282 -3.707 17.320 476 HG2 GLU 67 HG2 GLU 67 -0.592 -3.649 19.528 477 HG3 GLU 67 HG3 GLU 67 -1.101 -5.170 19.223 478 H PHE 68 H PHE 68 0.633 -4.443 14.522 479 HA PHE 68 HA PHE 68 -1.697 -3.950 13.128 480 HB2 PHE 68 HB2 PHE 68 0.409 -2.949 12.552 481 HB3 PHE 68 HB3 PHE 68 0.920 -4.390 11.976 482 HD1 PHE 68 HD1 PHE 68 -1.628 -1.872 11.405 483 HD2 PHE 68 HD2 PHE 68 0.619 -4.932 9.711 484 HE1 PHE 68 HE1 PHE 68 -2.533 -1.333 9.239 485 HE2 PHE 68 HE2 PHE 68 -0.260 -4.371 7.530 486 HZ PHE 68 HZ PHE 68 -1.854 -2.582 7.300 487 H LEU 69 H LEU 69 0.442 -6.697 13.127 488 HA LEU 69 HA LEU 69 -0.905 -8.145 11.198 489 HB2 LEU 69 HB2 LEU 69 1.044 -8.771 13.139 490 HB3 LEU 69 HB3 LEU 69 0.137 -10.051 12.686 491 HG LEU 69 HG LEU 69 2.164 -10.046 11.538 492 HD11 LEU 69 HD11 LEU 69 1.349 -10.231 9.268 493 HD12 LEU 69 HD12 LEU 69 -0.017 -9.482 9.701 494 HD13 LEU 69 HD13 LEU 69 0.324 -10.948 10.292 495 HD21 LEU 69 HD21 LEU 69 2.753 -8.327 9.997 496 HD22 LEU 69 HD22 LEU 69 2.676 -7.750 11.506 497 HD23 LEU 69 HD23 LEU 69 1.468 -7.467 10.470 498 H THR 70 H THR 70 -1.283 -7.926 14.634 499 HA THR 70 HA THR 70 -3.139 -9.940 14.920 500 HB THR 70 HB THR 70 -2.854 -7.594 16.637 501 HG1 THR 70 HG1 THR 70 -1.197 -9.537 16.205 502 HG21 THR 70 HG21 THR 70 -3.823 -8.934 18.367 503 HG22 THR 70 HG22 THR 70 -3.997 -10.169 17.339 504 HG23 THR 70 HG23 THR 70 -4.879 -8.826 17.147 505 H MET 71 H MET 71 -3.579 -6.526 14.330 506 HA MET 71 HA MET 71 -6.337 -6.532 14.332 507 HB2 MET 71 HB2 MET 71 -4.484 -4.773 12.995 508 HB3 MET 71 HB3 MET 71 -6.093 -4.502 12.940 509 HG2 MET 71 HG2 MET 71 -6.139 -4.286 15.245 510 HG3 MET 71 HG3 MET 71 -4.531 -4.568 15.306 511 HE1 MET 71 HE1 MET 71 -4.317 -0.873 16.153 512 HE2 MET 71 HE2 MET 71 -3.730 -2.343 16.482 513 HE3 MET 71 HE3 MET 71 -5.286 -2.011 16.769 514 H MET 72 H MET 72 -4.037 -7.054 11.802 515 HA MET 72 HA MET 72 -5.811 -7.263 9.722 516 HB2 MET 72 HB2 MET 72 -3.391 -7.066 9.496 517 HB3 MET 72 HB3 MET 72 -3.270 -8.645 9.896 518 HG2 MET 72 HG2 MET 72 -3.036 -8.458 7.658 519 HG3 MET 72 HG3 MET 72 -4.436 -9.231 7.990 520 HE1 MET 72 HE1 MET 72 -4.125 -4.913 6.508 521 HE2 MET 72 HE2 MET 72 -2.865 -5.922 6.612 522 HE3 MET 72 HE3 MET 72 -3.578 -5.377 7.958 523 H ALA 73 H ALA 73 -4.837 -9.608 12.054 524 HA ALA 73 HA ALA 73 -6.078 -11.711 10.672 525 HB1 ALA 73 HB1 ALA 73 -4.203 -12.164 12.161 526 HB2 ALA 73 HB2 ALA 73 -5.473 -13.049 12.629 527 HB3 ALA 73 HB3 ALA 73 -5.091 -11.696 13.428 528 H ARG 74 H ARG 74 -6.986 -9.738 13.420 529 HA ARG 74 HA ARG 74 -9.166 -11.340 13.915 530 HB2 ARG 74 HB2 ARG 74 -9.709 -9.898 15.728 531 HB3 ARG 74 HB3 ARG 74 -8.078 -9.939 15.640 532 HG2 ARG 74 HG2 ARG 74 -7.949 -7.801 14.896 533 HG3 ARG 74 HG3 ARG 74 -9.508 -7.784 14.411 534 HD2 ARG 74 HD2 ARG 74 -9.544 -6.498 16.309 535 HD3 ARG 74 HD3 ARG 74 -10.067 -7.950 16.844 536 HE ARG 74 HE ARG 74 -7.607 -6.673 17.497 537 HH11 ARG 74 HH11 ARG 74 -9.498 -9.632 17.839 538 HH12 ARG 74 HH12 ARG 74 -8.516 -10.193 19.150 539 HH21 ARG 74 HH21 ARG 74 -6.426 -7.453 19.150 540 HH22 ARG 74 HH22 ARG 74 -6.806 -8.978 19.878 541 H LYS 75 H LYS 75 -9.007 -8.819 11.731 542 HA LYS 75 HA LYS 75 -11.744 -8.183 11.932 543 HB2 LYS 75 HB2 LYS 75 -11.382 -6.471 10.597 544 HB3 LYS 75 HB3 LYS 75 -9.825 -6.776 10.983 545 HG2 LYS 75 HG2 LYS 75 -11.054 -7.600 8.516 546 HG3 LYS 75 HG3 LYS 75 -10.088 -6.292 8.671 547 HD2 LYS 75 HD2 LYS 75 -8.304 -7.710 9.278 548 HD3 LYS 75 HD3 LYS 75 -9.276 -9.004 9.052 549 HE2 LYS 75 HE2 LYS 75 -9.547 -8.288 6.739 550 HE3 LYS 75 HE3 LYS 75 -8.387 -7.172 7.009 551 HZ1 LYS 75 HZ1 LYS 75 -7.444 -9.102 6.001 552 HZ2 LYS 75 HZ2 LYS 75 -7.987 -10.015 7.221 553 HZ3 LYS 75 HZ3 LYS 75 -6.838 -8.909 7.488 554 H MET 76 H MET 76 -10.514 -10.903 10.938 555 HA MET 76 HA MET 76 -12.765 -11.422 9.192 556 HB2 MET 76 HB2 MET 76 -10.143 -12.580 8.974 557 HB3 MET 76 HB3 MET 76 -11.435 -13.184 8.179 558 HG2 MET 76 HG2 MET 76 -10.267 -10.631 7.810 559 HG3 MET 76 HG3 MET 76 -10.134 -11.902 6.792 560 HE1 MET 76 HE1 MET 76 -13.657 -12.231 5.209 561 HE2 MET 76 HE2 MET 76 -13.006 -13.097 6.408 562 HE3 MET 76 HE3 MET 76 -12.125 -12.739 5.101 563 H LYS 77 H LYS 77 -13.967 -13.350 9.660 564 HA LYS 77 HA LYS 77 -12.998 -14.993 11.802 565 HB2 LYS 77 HB2 LYS 77 -14.344 -13.169 12.766 566 HB3 LYS 77 HB3 LYS 77 -15.632 -13.822 12.004 567 HG2 LYS 77 HG2 LYS 77 -15.459 -15.763 13.330 568 HG3 LYS 77 HG3 LYS 77 -14.131 -15.158 14.065 569 HD2 LYS 77 HD2 LYS 77 -15.468 -13.366 14.926 570 HD3 LYS 77 HD3 LYS 77 -16.787 -14.063 14.260 571 HE2 LYS 77 HE2 LYS 77 -16.446 -15.986 15.644 572 HE3 LYS 77 HE3 LYS 77 -15.165 -15.246 16.335 573 HZ1 LYS 77 HZ1 LYS 77 -17.083 -15.022 17.722 574 HZ2 LYS 77 HZ2 LYS 77 -17.883 -14.298 16.517 575 HZ3 LYS 77 HZ3 LYS 77 -16.614 -13.565 17.202 576 H ASP 78 H ASP 78 -13.878 -17.064 11.915 577 HA ASP 78 HA ASP 78 -15.793 -17.830 9.859 578 HB2 ASP 78 HB2 ASP 78 -13.651 -18.413 9.029 579 HB3 ASP 78 HB3 ASP 78 -13.367 -19.277 10.385 580 H THR 79 H THR 79 -17.086 -19.684 10.631 581 HA THR 79 HA THR 79 -18.260 -20.599 12.267 582 HB THR 79 HB THR 79 -15.801 -21.313 13.645 583 HG1 THR 79 HG1 THR 79 -16.665 -22.065 11.176 584 HG21 THR 79 HG21 THR 79 -16.967 -23.369 14.103 585 HG22 THR 79 HG22 THR 79 -18.241 -22.857 13.250 586 HG23 THR 79 HG23 THR 79 -17.866 -22.141 14.650 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -9.623 -21.425 13.211 2 H2 ALA 1 H2 ALA 1 -8.487 -21.620 12.077 3 H3 ALA 1 H3 ALA 1 -9.469 -20.336 12.026 4 HA ALA 1 HA ALA 1 -8.532 -19.495 13.977 5 HB1 ALA 1 HB1 ALA 1 -7.883 -21.607 15.042 6 HB2 ALA 1 HB2 ALA 1 -6.614 -20.605 15.035 7 HB3 ALA 1 HB3 ALA 1 -6.707 -21.799 13.949 8 H ASP 2 H ASP 2 -6.774 -18.022 13.984 9 HA ASP 2 HA ASP 2 -5.911 -17.313 11.490 10 HB2 ASP 2 HB2 ASP 2 -5.953 -15.754 13.302 11 HB3 ASP 2 HB3 ASP 2 -4.768 -16.584 14.061 12 H GLN 3 H GLN 3 -4.068 -17.505 10.303 13 HA GLN 3 HA GLN 3 -1.666 -18.519 11.180 14 HB2 GLN 3 HB2 GLN 3 -2.716 -20.641 11.280 15 HB3 GLN 3 HB3 GLN 3 -3.173 -20.498 9.719 16 HG2 GLN 3 HG2 GLN 3 -1.333 -21.923 9.813 17 HG3 GLN 3 HG3 GLN 3 -0.868 -20.541 9.077 18 HE21 GLN 3 HE21 GLN 3 1.052 -19.739 9.642 19 HE22 GLN 3 HE22 GLN 3 1.782 -19.989 11.193 20 H LEU 4 H LEU 4 -0.243 -17.576 9.689 21 HA LEU 4 HA LEU 4 -1.220 -17.142 6.988 22 HB2 LEU 4 HB2 LEU 4 0.788 -15.635 8.397 23 HB3 LEU 4 HB3 LEU 4 0.351 -15.354 6.849 24 HG LEU 4 HG LEU 4 -1.390 -14.949 9.105 25 HD11 LEU 4 HD11 LEU 4 -1.030 -12.586 8.716 26 HD12 LEU 4 HD12 LEU 4 0.020 -12.942 7.539 27 HD13 LEU 4 HD13 LEU 4 0.373 -13.306 9.075 28 HD21 LEU 4 HD21 LEU 4 -2.873 -13.853 7.575 29 HD22 LEU 4 HD22 LEU 4 -2.661 -15.395 7.137 30 HD23 LEU 4 HD23 LEU 4 -1.884 -14.216 6.348 31 H THR 5 H THR 5 0.712 -17.125 5.321 32 HA THR 5 HA THR 5 2.390 -19.358 5.985 33 HB THR 5 HB THR 5 2.818 -19.504 3.551 34 HG1 THR 5 HG1 THR 5 2.434 -17.673 2.641 35 HG21 THR 5 HG21 THR 5 0.659 -20.394 2.992 36 HG22 THR 5 HG22 THR 5 0.002 -19.643 4.263 37 HG23 THR 5 HG23 THR 5 1.037 -20.865 4.492 38 H GLU 6 H GLU 6 4.689 -19.286 5.662 39 HA GLU 6 HA GLU 6 5.798 -16.920 6.421 40 HB2 GLU 6 HB2 GLU 6 7.071 -19.228 5.188 41 HB3 GLU 6 HB3 GLU 6 7.951 -18.027 5.860 42 HG2 GLU 6 HG2 GLU 6 6.114 -19.602 7.397 43 HG3 GLU 6 HG3 GLU 6 7.687 -20.010 7.241 44 H GLU 7 H GLU 7 5.378 -18.130 3.238 45 HA GLU 7 HA GLU 7 7.135 -16.396 1.992 46 HB2 GLU 7 HB2 GLU 7 6.074 -17.032 -0.041 47 HB3 GLU 7 HB3 GLU 7 6.308 -18.345 0.902 48 HG2 GLU 7 HG2 GLU 7 3.872 -17.695 1.560 49 HG3 GLU 7 HG3 GLU 7 3.900 -17.251 -0.011 50 H GLN 8 H GLN 8 3.888 -15.933 3.013 51 HA GLN 8 HA GLN 8 3.610 -13.523 1.581 52 HB2 GLN 8 HB2 GLN 8 1.904 -15.117 3.114 53 HB3 GLN 8 HB3 GLN 8 1.629 -13.529 3.381 54 HG2 GLN 8 HG2 GLN 8 0.180 -14.188 1.696 55 HG3 GLN 8 HG3 GLN 8 1.322 -13.253 0.998 56 HE21 GLN 8 HE21 GLN 8 0.068 -16.418 1.308 57 HE22 GLN 8 HE22 GLN 8 0.921 -17.107 -0.033 58 H ILE 9 H ILE 9 4.896 -14.375 4.580 59 HA ILE 9 HA ILE 9 4.504 -11.982 5.913 60 HB ILE 9 HB ILE 9 6.741 -13.795 6.338 61 HG12 ILE 9 HG12 ILE 9 4.741 -14.962 6.655 62 HG13 ILE 9 HG13 ILE 9 5.491 -14.770 8.093 63 HG21 ILE 9 HG21 ILE 9 6.952 -12.808 8.546 64 HG22 ILE 9 HG22 ILE 9 5.770 -11.763 8.192 65 HG23 ILE 9 HG23 ILE 9 7.184 -11.680 7.411 66 HD11 ILE 9 HD11 ILE 9 3.134 -14.454 8.350 67 HD12 ILE 9 HD12 ILE 9 3.158 -13.260 7.262 68 HD13 ILE 9 HD13 ILE 9 3.900 -13.070 8.686 69 H ALA 10 H ALA 10 6.815 -13.089 3.602 70 HA ALA 10 HA ALA 10 8.606 -11.007 3.776 71 HB1 ALA 10 HB1 ALA 10 9.133 -13.010 2.543 72 HB2 ALA 10 HB2 ALA 10 9.374 -11.727 1.589 73 HB3 ALA 10 HB3 ALA 10 8.038 -12.621 1.418 74 H GLU 11 H GLU 11 5.786 -11.393 1.756 75 HA GLU 11 HA GLU 11 5.998 -8.979 0.422 76 HB2 GLU 11 HB2 GLU 11 4.546 -10.718 -0.340 77 HB3 GLU 11 HB3 GLU 11 3.593 -10.504 0.970 78 HG2 GLU 11 HG2 GLU 11 2.972 -8.359 0.165 79 HG3 GLU 11 HG3 GLU 11 3.920 -8.579 -1.147 80 H PHE 12 H PHE 12 4.239 -9.873 3.280 81 HA PHE 12 HA PHE 12 2.993 -7.507 3.808 82 HB2 PHE 12 HB2 PHE 12 2.628 -9.588 5.015 83 HB3 PHE 12 HB3 PHE 12 4.036 -9.339 5.804 84 HD1 PHE 12 HD1 PHE 12 0.610 -8.505 5.680 85 HD2 PHE 12 HD2 PHE 12 4.218 -7.540 7.516 86 HE1 PHE 12 HE1 PHE 12 -0.588 -7.309 7.388 87 HE2 PHE 12 HE2 PHE 12 3.028 -6.305 9.217 88 HZ PHE 12 HZ PHE 12 0.616 -6.189 9.151 89 H LYS 13 H LYS 13 6.119 -8.572 4.858 90 HA LYS 13 HA LYS 13 6.830 -6.365 6.313 91 HB2 LYS 13 HB2 LYS 13 8.091 -8.380 6.381 92 HB3 LYS 13 HB3 LYS 13 8.496 -8.207 4.809 93 HG2 LYS 13 HG2 LYS 13 9.790 -6.254 5.450 94 HG3 LYS 13 HG3 LYS 13 9.518 -6.662 7.008 95 HD2 LYS 13 HD2 LYS 13 11.626 -7.484 6.418 96 HD3 LYS 13 HD3 LYS 13 10.627 -8.763 6.605 97 HE2 LYS 13 HE2 LYS 13 11.984 -9.032 4.642 98 HE3 LYS 13 HE3 LYS 13 10.404 -8.953 4.237 99 HZ1 LYS 13 HZ1 LYS 13 11.695 -7.642 2.751 100 HZ2 LYS 13 HZ2 LYS 13 12.256 -6.767 3.988 101 HZ3 LYS 13 HZ3 LYS 13 10.692 -6.688 3.587 102 H GLU 14 H GLU 14 7.350 -6.988 2.915 103 HA GLU 14 HA GLU 14 8.801 -4.637 2.553 104 HB2 GLU 14 HB2 GLU 14 7.605 -6.405 0.615 105 HB3 GLU 14 HB3 GLU 14 8.462 -5.095 0.151 106 HG2 GLU 14 HG2 GLU 14 10.335 -5.979 1.401 107 HG3 GLU 14 HG3 GLU 14 9.469 -7.344 1.630 108 H ALA 15 H ALA 15 5.431 -5.367 2.153 109 HA ALA 15 HA ALA 15 4.777 -2.928 1.026 110 HB1 ALA 15 HB1 ALA 15 3.239 -4.788 0.952 111 HB2 ALA 15 HB2 ALA 15 2.484 -3.504 1.583 112 HB3 ALA 15 HB3 ALA 15 3.020 -4.684 2.551 113 H PHE 16 H PHE 16 4.915 -3.974 4.339 114 HA PHE 16 HA PHE 16 3.873 -1.687 5.488 115 HB2 PHE 16 HB2 PHE 16 4.216 -3.788 6.664 116 HB3 PHE 16 HB3 PHE 16 5.815 -3.458 6.709 117 HD1 PHE 16 HD1 PHE 16 6.722 -1.802 8.274 118 HD2 PHE 16 HD2 PHE 16 2.646 -2.628 8.130 119 HE1 PHE 16 HE1 PHE 16 6.417 -0.639 10.369 120 HE2 PHE 16 HE2 PHE 16 2.335 -1.499 10.242 121 HZ PHE 16 HZ PHE 16 4.224 -0.502 11.364 122 H SER 17 H SER 17 7.092 -2.554 4.608 123 HA SER 17 HA SER 17 8.399 -0.455 5.744 124 HB2 SER 17 HB2 SER 17 9.542 -2.411 4.806 125 HB3 SER 17 HB3 SER 17 9.204 -1.868 3.303 126 HG SER 17 HG SER 17 11.081 -1.037 3.430 127 H LEU 18 H LEU 18 6.431 -0.338 3.013 128 HA LEU 18 HA LEU 18 7.661 1.966 1.953 129 HB2 LEU 18 HB2 LEU 18 5.125 0.753 1.265 130 HB3 LEU 18 HB3 LEU 18 5.767 1.996 0.423 131 HG LEU 18 HG LEU 18 6.979 -0.605 0.590 132 HD11 LEU 18 HD11 LEU 18 6.201 -0.933 -1.675 133 HD12 LEU 18 HD12 LEU 18 5.436 0.491 -1.614 134 HD13 LEU 18 HD13 LEU 18 4.945 -0.732 -0.677 135 HD21 LEU 18 HD21 LEU 18 8.423 0.135 -1.190 136 HD22 LEU 18 HD22 LEU 18 8.614 1.077 0.111 137 HD23 LEU 18 HD23 LEU 18 7.736 1.598 -1.143 138 H PHE 19 H PHE 19 5.302 1.363 4.280 139 HA PHE 19 HA PHE 19 4.376 4.085 4.219 140 HB2 PHE 19 HB2 PHE 19 3.264 1.802 5.581 141 HB3 PHE 19 HB3 PHE 19 2.655 3.306 5.752 142 HD1 PHE 19 HD1 PHE 19 1.453 4.400 3.901 143 HD2 PHE 19 HD2 PHE 19 2.820 0.484 3.604 144 HE1 PHE 19 HE1 PHE 19 0.077 4.074 1.944 145 HE2 PHE 19 HE2 PHE 19 1.463 0.145 1.638 146 HZ PHE 19 HZ PHE 19 0.077 1.942 0.809 147 H ASP 20 H ASP 20 6.161 1.895 6.133 148 HA ASP 20 HA ASP 20 6.545 3.645 8.334 149 HB2 ASP 20 HB2 ASP 20 6.815 1.355 8.698 150 HB3 ASP 20 HB3 ASP 20 8.019 1.292 7.596 151 H LYS 21 H LYS 21 6.915 5.437 6.693 152 HA LYS 21 HA LYS 21 9.242 5.425 5.184 153 HB2 LYS 21 HB2 LYS 21 7.274 6.783 4.706 154 HB3 LYS 21 HB3 LYS 21 7.641 7.713 5.998 155 HG2 LYS 21 HG2 LYS 21 9.680 8.329 4.877 156 HG3 LYS 21 HG3 LYS 21 9.129 7.544 3.555 157 HD2 LYS 21 HD2 LYS 21 7.299 8.993 3.432 158 HD3 LYS 21 HD3 LYS 21 7.788 9.752 4.793 159 HE2 LYS 21 HE2 LYS 21 9.823 10.360 3.651 160 HE3 LYS 21 HE3 LYS 21 9.197 9.727 2.282 161 HZ1 LYS 21 HZ1 LYS 21 8.858 12.068 2.328 162 HZ2 LYS 21 HZ2 LYS 21 8.052 11.933 3.723 163 HZ3 LYS 21 HZ3 LYS 21 7.433 11.305 2.368 164 H ASP 22 H ASP 22 8.526 6.505 8.331 165 HA ASP 22 HA ASP 22 10.857 8.076 8.571 166 HB2 ASP 22 HB2 ASP 22 8.912 7.279 10.547 167 HB3 ASP 22 HB3 ASP 22 10.139 8.302 10.885 168 H GLY 23 H GLY 23 10.105 4.811 9.086 169 HA2 GLY 23 HA2 GLY 23 11.675 3.169 9.261 170 HA3 GLY 23 HA3 GLY 23 12.848 4.269 9.544 171 H ASP 24 H ASP 24 10.194 4.568 11.556 172 HA ASP 24 HA ASP 24 11.739 3.620 13.757 173 HB2 ASP 24 HB2 ASP 24 9.348 5.225 13.626 174 HB3 ASP 24 HB3 ASP 24 9.825 4.609 15.060 175 H GLY 25 H GLY 25 9.705 2.215 11.693 176 HA2 GLY 25 HA2 GLY 25 8.803 0.117 11.855 177 HA3 GLY 25 HA3 GLY 25 9.135 0.060 13.453 178 H THR 26 H THR 26 7.453 2.707 12.150 179 HA THR 26 HA THR 26 5.024 1.732 13.269 180 HB THR 26 HB THR 26 5.462 4.568 13.663 181 HG1 THR 26 HG1 THR 26 7.305 2.817 14.463 182 HG21 THR 26 HG21 THR 26 4.577 4.179 15.832 183 HG22 THR 26 HG22 THR 26 4.632 2.582 15.590 184 HG23 THR 26 HG23 THR 26 3.602 3.493 14.741 185 H ILE 27 H ILE 27 3.026 2.457 12.408 186 HA ILE 27 HA ILE 27 3.284 4.309 10.213 187 HB ILE 27 HB ILE 27 1.509 3.205 8.991 188 HG12 ILE 27 HG12 ILE 27 1.654 1.063 10.878 189 HG13 ILE 27 HG13 ILE 27 0.499 2.216 10.953 190 HG21 ILE 27 HG21 ILE 27 2.825 1.357 8.218 191 HG22 ILE 27 HG22 ILE 27 3.779 1.479 9.518 192 HG23 ILE 27 HG23 ILE 27 3.767 2.656 8.410 193 HD11 ILE 27 HD11 ILE 27 -0.364 0.262 9.881 194 HD12 ILE 27 HD12 ILE 27 0.794 0.351 8.755 195 HD13 ILE 27 HD13 ILE 27 -0.350 1.491 8.830 196 H THR 28 H THR 28 1.181 5.539 9.776 197 HA THR 28 HA THR 28 0.188 6.265 12.340 198 HB THR 28 HB THR 28 -0.647 8.297 11.183 199 HG1 THR 28 HG1 THR 28 -0.582 8.486 9.113 200 HG21 THR 28 HG21 THR 28 1.516 9.254 10.729 201 HG22 THR 28 HG22 THR 28 2.175 7.777 10.682 202 HG23 THR 28 HG23 THR 28 1.617 8.368 12.079 203 H THR 29 H THR 29 -2.023 6.541 12.916 204 HA THR 29 HA THR 29 -3.640 4.567 12.003 205 HB THR 29 HB THR 29 -5.465 5.895 13.199 206 HG1 THR 29 HG1 THR 29 -3.718 7.765 12.772 207 HG21 THR 29 HG21 THR 29 -4.488 5.619 15.364 208 HG22 THR 29 HG22 THR 29 -3.018 5.480 14.705 209 HG23 THR 29 HG23 THR 29 -4.123 4.324 14.468 210 H LYS 30 H LYS 30 -3.420 7.798 10.889 211 HA LYS 30 HA LYS 30 -5.735 7.861 9.412 212 HB2 LYS 30 HB2 LYS 30 -4.685 9.734 8.232 213 HB3 LYS 30 HB3 LYS 30 -4.535 9.875 9.851 214 HG2 LYS 30 HG2 LYS 30 -2.333 9.168 9.770 215 HG3 LYS 30 HG3 LYS 30 -2.465 8.803 8.183 216 HD2 LYS 30 HD2 LYS 30 -2.724 11.139 7.720 217 HD3 LYS 30 HD3 LYS 30 -2.438 11.446 9.298 218 HE2 LYS 30 HE2 LYS 30 -0.304 10.444 9.136 219 HE3 LYS 30 HE3 LYS 30 -0.591 10.039 7.580 220 HZ1 LYS 30 HZ1 LYS 30 0.851 11.882 7.692 221 HZ2 LYS 30 HZ2 LYS 30 -0.253 12.717 8.527 222 HZ3 LYS 30 HZ3 LYS 30 -0.538 12.317 6.987 223 H GLU 31 H GLU 31 -2.982 6.095 8.836 224 HA GLU 31 HA GLU 31 -3.692 5.743 6.069 225 HB2 GLU 31 HB2 GLU 31 -1.085 5.873 7.273 226 HB3 GLU 31 HB3 GLU 31 -1.255 5.060 5.867 227 HG2 GLU 31 HG2 GLU 31 -1.911 6.976 4.746 228 HG3 GLU 31 HG3 GLU 31 -2.064 7.808 6.143 229 H LEU 32 H LEU 32 -4.267 4.297 8.742 230 HA LEU 32 HA LEU 32 -3.384 1.700 8.561 231 HB2 LEU 32 HB2 LEU 32 -4.699 2.735 10.344 232 HB3 LEU 32 HB3 LEU 32 -6.021 2.496 9.416 233 HG LEU 32 HG LEU 32 -4.533 0.386 10.652 234 HD11 LEU 32 HD11 LEU 32 -6.476 0.311 12.180 235 HD12 LEU 32 HD12 LEU 32 -7.126 1.566 11.395 236 HD13 LEU 32 HD13 LEU 32 -5.779 1.768 12.266 237 HD21 LEU 32 HD21 LEU 32 -6.302 -1.069 10.118 238 HD22 LEU 32 HD22 LEU 32 -5.616 -0.479 8.778 239 HD23 LEU 32 HD23 LEU 32 -7.033 0.111 9.288 240 H GLY 33 H GLY 33 -6.286 3.082 7.215 241 HA2 GLY 33 HA2 GLY 33 -7.017 0.796 5.790 242 HA3 GLY 33 HA3 GLY 33 -7.641 2.292 5.591 243 H THR 34 H THR 34 -4.803 3.250 5.106 244 HA THR 34 HA THR 34 -4.952 3.071 2.332 245 HB THR 34 HB THR 34 -2.693 4.147 3.835 246 HG1 THR 34 HG1 THR 34 -3.918 5.695 4.433 247 HG21 THR 34 HG21 THR 34 -2.305 5.512 1.907 248 HG22 THR 34 HG22 THR 34 -3.574 4.847 1.158 249 HG23 THR 34 HG23 THR 34 -2.256 3.960 1.458 250 H VAL 35 H VAL 35 -2.873 1.618 4.730 251 HA VAL 35 HA VAL 35 -1.182 0.393 2.955 252 HB VAL 35 HB VAL 35 -1.841 -0.694 5.587 253 HG11 VAL 35 HG11 VAL 35 0.336 -1.739 5.518 254 HG12 VAL 35 HG12 VAL 35 0.582 -1.143 4.036 255 HG13 VAL 35 HG13 VAL 35 -0.559 -2.262 4.277 256 HG21 VAL 35 HG21 VAL 35 -0.021 0.575 6.469 257 HG22 VAL 35 HG22 VAL 35 -1.138 1.562 5.842 258 HG23 VAL 35 HG23 VAL 35 0.219 1.250 5.019 259 H MET 36 H MET 36 -4.093 -0.762 4.510 260 HA MET 36 HA MET 36 -4.000 -3.242 3.354 261 HB2 MET 36 HB2 MET 36 -5.820 -1.907 4.968 262 HB3 MET 36 HB3 MET 36 -6.623 -2.816 3.874 263 HG2 MET 36 HG2 MET 36 -5.327 -4.674 4.555 264 HG3 MET 36 HG3 MET 36 -4.678 -3.742 5.729 265 HE1 MET 36 HE1 MET 36 -7.386 -3.256 8.304 266 HE2 MET 36 HE2 MET 36 -6.722 -2.222 7.253 267 HE3 MET 36 HE3 MET 36 -5.788 -3.271 8.054 268 H ARG 37 H ARG 37 -5.566 -0.355 2.140 269 HA ARG 37 HA ARG 37 -6.805 -1.774 0.076 270 HB2 ARG 37 HB2 ARG 37 -7.523 0.236 -0.818 271 HB3 ARG 37 HB3 ARG 37 -7.604 0.378 0.807 272 HG2 ARG 37 HG2 ARG 37 -5.538 1.597 0.743 273 HG3 ARG 37 HG3 ARG 37 -5.613 1.558 -0.888 274 HD2 ARG 37 HD2 ARG 37 -6.465 3.619 -0.143 275 HD3 ARG 37 HD3 ARG 37 -7.693 2.752 -0.782 276 HE ARG 37 HE ARG 37 -7.601 2.202 1.921 277 HH11 ARG 37 HH11 ARG 37 -9.039 3.081 3.337 278 HH12 ARG 37 HH12 ARG 37 -9.886 4.540 2.946 279 HH21 ARG 37 HH21 ARG 37 -8.450 4.908 -0.164 280 HH22 ARG 37 HH22 ARG 37 -9.559 5.560 0.995 281 H SER 38 H SER 38 -3.658 -0.662 0.437 282 HA SER 38 HA SER 38 -2.986 -0.587 -2.280 283 HB2 SER 38 HB2 SER 38 -1.577 0.420 -0.572 284 HB3 SER 38 HB3 SER 38 -1.126 -1.079 -0.110 285 HG SER 38 HG SER 38 -0.562 -1.253 -2.462 286 H LEU 39 H LEU 39 -3.504 -3.000 0.000 287 HA LEU 39 HA LEU 39 -2.379 -5.078 -1.635 288 HB2 LEU 39 HB2 LEU 39 -3.348 -5.206 1.089 289 HB3 LEU 39 HB3 LEU 39 -2.687 -6.477 0.305 290 HG LEU 39 HG LEU 39 -1.197 -4.093 0.919 291 HD11 LEU 39 HD11 LEU 39 -0.219 -5.322 2.751 292 HD12 LEU 39 HD12 LEU 39 -1.210 -6.563 2.446 293 HD13 LEU 39 HD13 LEU 39 -1.812 -5.160 2.980 294 HD21 LEU 39 HD21 LEU 39 0.742 -5.421 0.428 295 HD22 LEU 39 HD22 LEU 39 -0.226 -5.352 -0.865 296 HD23 LEU 39 HD23 LEU 39 -0.207 -6.677 0.061 297 H GLY 40 H GLY 40 -5.058 -3.480 -1.715 298 HA2 GLY 40 HA2 GLY 40 -6.907 -4.078 -2.898 299 HA3 GLY 40 HA3 GLY 40 -6.528 -5.661 -2.767 300 H GLN 41 H GLN 41 -6.533 -4.478 0.292 301 HA GLN 41 HA GLN 41 -9.185 -5.492 0.671 302 HB2 GLN 41 HB2 GLN 41 -7.442 -6.538 1.958 303 HB3 GLN 41 HB3 GLN 41 -7.111 -5.105 2.666 304 HG2 GLN 41 HG2 GLN 41 -8.351 -6.538 4.120 305 HG3 GLN 41 HG3 GLN 41 -9.163 -5.155 3.810 306 HE21 GLN 41 HE21 GLN 41 -9.041 -8.534 3.267 307 HE22 GLN 41 HE22 GLN 41 -10.643 -8.694 2.625 308 H ASN 42 H ASN 42 -10.909 -4.377 1.388 309 HA ASN 42 HA ASN 42 -10.438 -1.732 2.469 310 HB2 ASN 42 HB2 ASN 42 -12.323 -2.385 0.395 311 HB3 ASN 42 HB3 ASN 42 -12.451 -1.009 1.264 312 HD21 ASN 42 HD21 ASN 42 -10.934 -2.565 -1.293 313 HD22 ASN 42 HD22 ASN 42 -9.918 -1.252 -1.785 314 HA PRO 43 HA PRO 43 -12.979 -4.239 5.206 315 HB2 PRO 43 HB2 PRO 43 -12.046 -2.339 7.224 316 HB3 PRO 43 HB3 PRO 43 -12.028 -3.965 7.370 317 HG2 PRO 43 HG2 PRO 43 -9.861 -2.774 6.991 318 HG3 PRO 43 HG3 PRO 43 -10.136 -4.164 6.180 319 HD2 PRO 43 HD2 PRO 43 -10.389 -1.484 5.179 320 HD3 PRO 43 HD3 PRO 43 -9.679 -2.757 4.442 321 H THR 44 H THR 44 -14.880 -4.075 6.396 322 HA THR 44 HA THR 44 -16.569 -2.065 5.571 323 HB THR 44 HB THR 44 -17.444 -3.162 7.992 324 HG1 THR 44 HG1 THR 44 -16.934 -5.254 6.375 325 HG21 THR 44 HG21 THR 44 -19.124 -4.177 6.636 326 HG22 THR 44 HG22 THR 44 -18.279 -3.835 5.299 327 HG23 THR 44 HG23 THR 44 -18.940 -2.641 6.165 328 H GLU 45 H GLU 45 -17.448 -0.198 6.709 329 HA GLU 45 HA GLU 45 -15.583 1.219 8.104 330 HB2 GLU 45 HB2 GLU 45 -17.609 2.050 6.952 331 HB3 GLU 45 HB3 GLU 45 -18.446 1.642 8.293 332 HG2 GLU 45 HG2 GLU 45 -18.116 3.861 8.460 333 HG3 GLU 45 HG3 GLU 45 -17.046 3.193 9.497 334 H ALA 46 H ALA 46 -18.097 -0.803 9.384 335 HA ALA 46 HA ALA 46 -17.783 -0.025 12.019 336 HB1 ALA 46 HB1 ALA 46 -19.710 -1.305 11.304 337 HB2 ALA 46 HB2 ALA 46 -19.015 -2.057 12.556 338 HB3 ALA 46 HB3 ALA 46 -18.771 -2.598 11.051 339 H GLU 47 H GLU 47 -16.302 -2.601 10.207 340 HA GLU 47 HA GLU 47 -14.856 -3.628 12.340 341 HB2 GLU 47 HB2 GLU 47 -14.307 -3.906 9.509 342 HB3 GLU 47 HB3 GLU 47 -13.579 -4.811 10.656 343 HG2 GLU 47 HG2 GLU 47 -16.356 -4.893 9.950 344 HG3 GLU 47 HG3 GLU 47 -15.265 -6.084 9.712 345 H LEU 48 H LEU 48 -14.180 -1.263 9.935 346 HA LEU 48 HA LEU 48 -11.509 -0.872 10.504 347 HB2 LEU 48 HB2 LEU 48 -12.650 -0.034 8.544 348 HB3 LEU 48 HB3 LEU 48 -13.358 1.099 9.484 349 HG LEU 48 HG LEU 48 -11.206 2.072 9.869 350 HD11 LEU 48 HD11 LEU 48 -9.330 1.413 8.524 351 HD12 LEU 48 HD12 LEU 48 -10.195 0.193 7.907 352 HD13 LEU 48 HD13 LEU 48 -9.791 0.187 9.473 353 HD21 LEU 48 HD21 LEU 48 -11.032 3.071 7.668 354 HD22 LEU 48 HD22 LEU 48 -12.586 2.957 8.102 355 HD23 LEU 48 HD23 LEU 48 -11.957 1.890 7.062 356 H GLN 49 H GLN 49 -14.383 0.587 11.795 357 HA GLN 49 HA GLN 49 -13.125 2.437 13.395 358 HB2 GLN 49 HB2 GLN 49 -15.490 2.480 12.953 359 HB3 GLN 49 HB3 GLN 49 -15.678 1.205 13.957 360 HG2 GLN 49 HG2 GLN 49 -15.038 2.495 15.791 361 HG3 GLN 49 HG3 GLN 49 -14.676 3.757 14.820 362 HE21 GLN 49 HE21 GLN 49 -16.051 4.827 16.492 363 HE22 GLN 49 HE22 GLN 49 -17.746 4.891 16.136 364 H ASP 50 H ASP 50 -13.995 -0.890 14.018 365 HA ASP 50 HA ASP 50 -13.152 -0.831 16.656 366 HB2 ASP 50 HB2 ASP 50 -13.848 -2.929 14.879 367 HB3 ASP 50 HB3 ASP 50 -12.948 -3.375 16.167 368 H MET 51 H MET 51 -11.453 -1.444 13.710 369 HA MET 51 HA MET 51 -9.111 -2.414 14.837 370 HB2 MET 51 HB2 MET 51 -9.536 -1.024 12.347 371 HB3 MET 51 HB3 MET 51 -8.066 -1.606 12.756 372 HG2 MET 51 HG2 MET 51 -8.811 -3.721 12.733 373 HG3 MET 51 HG3 MET 51 -10.360 -3.229 12.584 374 HE1 MET 51 HE1 MET 51 -10.350 -4.644 9.172 375 HE2 MET 51 HE2 MET 51 -11.239 -4.286 10.475 376 HE3 MET 51 HE3 MET 51 -9.979 -5.291 10.607 377 H ILE 52 H ILE 52 -10.302 0.774 14.263 378 HA ILE 52 HA ILE 52 -7.984 2.097 15.100 379 HB ILE 52 HB ILE 52 -10.686 3.142 14.842 380 HG12 ILE 52 HG12 ILE 52 -8.460 3.755 13.113 381 HG13 ILE 52 HG13 ILE 52 -9.399 2.451 12.824 382 HG21 ILE 52 HG21 ILE 52 -9.763 5.375 15.033 383 HG22 ILE 52 HG22 ILE 52 -8.302 4.753 15.336 384 HG23 ILE 52 HG23 ILE 52 -9.501 4.558 16.403 385 HD11 ILE 52 HD11 ILE 52 -10.095 4.280 11.443 386 HD12 ILE 52 HD12 ILE 52 -10.355 5.189 12.755 387 HD13 ILE 52 HD13 ILE 52 -11.286 3.898 12.468 388 H ASN 53 H ASN 53 -10.915 1.081 16.695 389 HA ASN 53 HA ASN 53 -10.470 2.267 19.112 390 HB2 ASN 53 HB2 ASN 53 -11.925 -0.171 18.529 391 HB3 ASN 53 HB3 ASN 53 -11.892 0.433 20.046 392 HD21 ASN 53 HD21 ASN 53 -14.126 -0.039 18.236 393 HD22 ASN 53 HD22 ASN 53 -14.925 1.493 18.112 394 H GLU 54 H GLU 54 -9.164 -0.622 17.784 395 HA GLU 54 HA GLU 54 -8.090 -1.729 20.069 396 HB2 GLU 54 HB2 GLU 54 -8.203 -2.585 17.652 397 HB3 GLU 54 HB3 GLU 54 -6.672 -2.022 17.597 398 HG2 GLU 54 HG2 GLU 54 -6.272 -4.139 18.139 399 HG3 GLU 54 HG3 GLU 54 -6.376 -3.492 19.634 400 H VAL 55 H VAL 55 -6.863 0.692 17.912 401 HA VAL 55 HA VAL 55 -4.337 0.845 19.097 402 HB VAL 55 HB VAL 55 -5.604 2.882 17.415 403 HG11 VAL 55 HG11 VAL 55 -3.389 3.668 16.919 404 HG12 VAL 55 HG12 VAL 55 -2.765 2.567 17.927 405 HG13 VAL 55 HG13 VAL 55 -3.668 3.777 18.508 406 HG21 VAL 55 HG21 VAL 55 -4.493 1.865 15.547 407 HG22 VAL 55 HG22 VAL 55 -5.500 0.803 16.234 408 HG23 VAL 55 HG23 VAL 55 -3.910 0.709 16.515 409 H ASP 56 H ASP 56 -7.315 2.514 19.466 410 HA ASP 56 HA ASP 56 -6.391 4.509 21.153 411 HB2 ASP 56 HB2 ASP 56 -9.026 3.541 20.558 412 HB3 ASP 56 HB3 ASP 56 -8.850 4.626 21.766 413 H ALA 57 H ALA 57 -6.976 1.242 21.691 414 HA ALA 57 HA ALA 57 -7.515 1.339 24.414 415 HB1 ALA 57 HB1 ALA 57 -7.917 -0.677 23.154 416 HB2 ALA 57 HB2 ALA 57 -6.956 -1.025 24.408 417 HB3 ALA 57 HB3 ALA 57 -6.328 -0.869 22.926 418 H ASP 58 H ASP 58 -4.530 1.119 22.609 419 HA ASP 58 HA ASP 58 -2.906 1.111 24.923 420 HB2 ASP 58 HB2 ASP 58 -2.298 1.361 22.120 421 HB3 ASP 58 HB3 ASP 58 -1.119 1.650 23.212 422 H GLY 59 H GLY 59 -4.429 3.386 22.966 423 HA2 GLY 59 HA2 GLY 59 -4.702 5.583 23.276 424 HA3 GLY 59 HA3 GLY 59 -3.913 5.483 24.703 425 H ASN 60 H ASN 60 -1.958 4.449 22.192 426 HA ASN 60 HA ASN 60 -0.463 6.844 22.473 427 HB2 ASN 60 HB2 ASN 60 1.368 5.663 21.453 428 HB3 ASN 60 HB3 ASN 60 0.726 4.757 22.651 429 HD21 ASN 60 HD21 ASN 60 2.228 3.360 21.094 430 HD22 ASN 60 HD22 ASN 60 1.296 2.420 19.977 431 H GLY 61 H GLY 61 -2.576 5.625 20.205 432 HA2 GLY 61 HA2 GLY 61 -3.322 6.610 18.326 433 HA3 GLY 61 HA3 GLY 61 -2.392 7.917 18.637 434 H THR 62 H THR 62 -0.635 5.080 18.424 435 HA THR 62 HA THR 62 0.055 5.588 15.668 436 HB THR 62 HB THR 62 2.413 5.072 16.266 437 HG1 THR 62 HG1 THR 62 1.254 4.912 18.702 438 HG21 THR 62 HG21 THR 62 2.898 7.253 17.158 439 HG22 THR 62 HG22 THR 62 1.347 7.445 17.573 440 HG23 THR 62 HG23 THR 62 1.768 7.406 16.012 441 H ILE 63 H ILE 63 0.846 3.653 14.479 442 HA ILE 63 HA ILE 63 0.016 1.294 15.881 443 HB ILE 63 HB ILE 63 -0.067 1.496 12.982 444 HG12 ILE 63 HG12 ILE 63 -2.324 1.847 14.733 445 HG13 ILE 63 HG13 ILE 63 -1.584 3.070 13.942 446 HG21 ILE 63 HG21 ILE 63 -1.451 -0.497 13.123 447 HG22 ILE 63 HG22 ILE 63 -1.304 -0.488 14.733 448 HG23 ILE 63 HG23 ILE 63 -0.013 -0.785 13.805 449 HD11 ILE 63 HD11 ILE 63 -3.576 2.448 12.803 450 HD12 ILE 63 HD12 ILE 63 -3.029 0.934 12.644 451 HD13 ILE 63 HD13 ILE 63 -2.297 2.144 11.861 452 H ASP 64 H ASP 64 1.801 0.338 16.650 453 HA ASP 64 HA ASP 64 4.226 0.353 15.243 454 HB2 ASP 64 HB2 ASP 64 3.405 -1.119 17.582 455 HB3 ASP 64 HB3 ASP 64 4.932 -1.176 17.006 456 H PHE 65 H PHE 65 5.389 -1.499 14.357 457 HA PHE 65 HA PHE 65 3.832 -2.805 12.643 458 HB2 PHE 65 HB2 PHE 65 5.795 -4.076 11.993 459 HB3 PHE 65 HB3 PHE 65 6.246 -2.551 12.367 460 HD1 PHE 65 HD1 PHE 65 6.552 -5.968 13.287 461 HD2 PHE 65 HD2 PHE 65 7.524 -2.085 14.431 462 HE1 PHE 65 HE1 PHE 65 8.136 -6.841 14.887 463 HE2 PHE 65 HE2 PHE 65 9.107 -2.944 16.031 464 HZ PHE 65 HZ PHE 65 9.404 -5.327 16.276 465 HA PRO 66 HA PRO 66 3.497 -6.731 14.738 466 HB2 PRO 66 HB2 PRO 66 3.405 -7.007 17.383 467 HB3 PRO 66 HB3 PRO 66 4.868 -7.021 16.657 468 HG2 PRO 66 HG2 PRO 66 3.569 -4.826 17.922 469 HG3 PRO 66 HG3 PRO 66 5.109 -5.332 18.126 470 HD2 PRO 66 HD2 PRO 66 4.577 -3.352 16.511 471 HD3 PRO 66 HD3 PRO 66 5.803 -4.379 16.179 472 H GLU 67 H GLU 67 2.090 -4.000 16.242 473 HA GLU 67 HA GLU 67 -0.298 -5.285 16.842 474 HB2 GLU 67 HB2 GLU 67 0.151 -2.446 16.531 475 HB3 GLU 67 HB3 GLU 67 -1.202 -3.082 17.190 476 HG2 GLU 67 HG2 GLU 67 1.432 -3.092 18.324 477 HG3 GLU 67 HG3 GLU 67 0.094 -2.396 18.954 478 H PHE 68 H PHE 68 0.818 -3.479 14.095 479 HA PHE 68 HA PHE 68 -1.586 -3.339 12.800 480 HB2 PHE 68 HB2 PHE 68 0.324 -2.139 12.017 481 HB3 PHE 68 HB3 PHE 68 1.002 -3.539 11.523 482 HD1 PHE 68 HD1 PHE 68 -2.171 -1.811 10.988 483 HD2 PHE 68 HD2 PHE 68 0.963 -3.909 9.231 484 HE1 PHE 68 HE1 PHE 68 -3.237 -1.584 8.836 485 HE2 PHE 68 HE2 PHE 68 -0.092 -3.693 7.074 486 HZ PHE 68 HZ PHE 68 -2.210 -2.545 6.878 487 H LEU 69 H LEU 69 0.840 -5.833 12.715 488 HA LEU 69 HA LEU 69 -0.464 -7.444 10.867 489 HB2 LEU 69 HB2 LEU 69 1.841 -7.724 11.359 490 HB3 LEU 69 HB3 LEU 69 1.482 -8.133 12.899 491 HG LEU 69 HG LEU 69 0.585 -10.186 12.134 492 HD11 LEU 69 HD11 LEU 69 0.887 -10.920 9.887 493 HD12 LEU 69 HD12 LEU 69 1.452 -9.460 9.481 494 HD13 LEU 69 HD13 LEU 69 -0.090 -9.631 9.936 495 HD21 LEU 69 HD21 LEU 69 2.728 -11.191 11.561 496 HD22 LEU 69 HD22 LEU 69 2.923 -10.125 12.760 497 HD23 LEU 69 HD23 LEU 69 3.327 -9.722 11.247 498 H THR 70 H THR 70 -0.514 -7.430 14.335 499 HA THR 70 HA THR 70 -2.063 -9.681 14.661 500 HB THR 70 HB THR 70 -1.909 -7.364 16.461 501 HG1 THR 70 HG1 THR 70 -0.475 -9.382 17.296 502 HG21 THR 70 HG21 THR 70 -2.492 -8.839 18.223 503 HG22 THR 70 HG22 THR 70 -2.622 -10.068 17.179 504 HG23 THR 70 HG23 THR 70 -3.680 -8.845 17.125 505 H MET 71 H MET 71 -2.914 -6.393 14.217 506 HA MET 71 HA MET 71 -5.541 -6.451 14.776 507 HB2 MET 71 HB2 MET 71 -4.182 -4.478 14.253 508 HB3 MET 71 HB3 MET 71 -4.244 -4.892 12.674 509 HG2 MET 71 HG2 MET 71 -6.527 -4.514 12.701 510 HG3 MET 71 HG3 MET 71 -6.402 -4.018 14.252 511 HE1 MET 71 HE1 MET 71 -4.335 -0.785 14.146 512 HE2 MET 71 HE2 MET 71 -3.924 -2.271 14.635 513 HE3 MET 71 HE3 MET 71 -5.362 -1.656 15.042 514 H MET 72 H MET 72 -4.337 -6.936 11.464 515 HA MET 72 HA MET 72 -7.004 -7.465 10.767 516 HB2 MET 72 HB2 MET 72 -6.464 -7.477 8.572 517 HB3 MET 72 HB3 MET 72 -5.407 -6.417 9.222 518 HG2 MET 72 HG2 MET 72 -4.709 -9.106 8.673 519 HG3 MET 72 HG3 MET 72 -4.579 -7.935 7.541 520 HE1 MET 72 HE1 MET 72 -1.968 -5.560 8.932 521 HE2 MET 72 HE2 MET 72 -3.578 -5.449 9.030 522 HE3 MET 72 HE3 MET 72 -2.883 -5.912 7.646 523 H ALA 73 H ALA 73 -4.362 -9.379 11.646 524 HA ALA 73 HA ALA 73 -5.231 -11.729 10.443 525 HB1 ALA 73 HB1 ALA 73 -2.927 -11.428 11.138 526 HB2 ALA 73 HB2 ALA 73 -3.509 -12.789 11.790 527 HB3 ALA 73 HB3 ALA 73 -3.388 -11.449 12.688 528 H ARG 74 H ARG 74 -5.677 -10.482 13.663 529 HA ARG 74 HA ARG 74 -7.059 -12.784 14.440 530 HB2 ARG 74 HB2 ARG 74 -6.618 -10.259 15.806 531 HB3 ARG 74 HB3 ARG 74 -7.498 -11.433 16.524 532 HG2 ARG 74 HG2 ARG 74 -5.536 -12.856 16.362 533 HG3 ARG 74 HG3 ARG 74 -4.699 -11.526 15.915 534 HD2 ARG 74 HD2 ARG 74 -4.467 -11.919 18.270 535 HD3 ARG 74 HD3 ARG 74 -5.211 -10.491 17.998 536 HE ARG 74 HE ARG 74 -7.125 -11.233 18.963 537 HH11 ARG 74 HH11 ARG 74 -8.365 -12.667 20.074 538 HH12 ARG 74 HH12 ARG 74 -7.862 -14.314 20.262 539 HH21 ARG 74 HH21 ARG 74 -4.955 -13.961 18.447 540 HH22 ARG 74 HH22 ARG 74 -5.962 -15.036 19.357 541 H LYS 75 H LYS 75 -8.065 -10.003 12.949 542 HA LYS 75 HA LYS 75 -10.730 -10.137 13.993 543 HB2 LYS 75 HB2 LYS 75 -9.422 -8.042 13.499 544 HB3 LYS 75 HB3 LYS 75 -9.865 -8.298 11.949 545 HG2 LYS 75 HG2 LYS 75 -11.882 -7.496 12.277 546 HG3 LYS 75 HG3 LYS 75 -12.024 -8.206 13.741 547 HD2 LYS 75 HD2 LYS 75 -10.770 -6.512 14.749 548 HD3 LYS 75 HD3 LYS 75 -10.413 -5.858 13.296 549 HE2 LYS 75 HE2 LYS 75 -12.066 -4.572 14.359 550 HE3 LYS 75 HE3 LYS 75 -12.683 -5.254 13.010 551 HZ1 LYS 75 HZ1 LYS 75 -14.245 -5.401 14.787 552 HZ2 LYS 75 HZ2 LYS 75 -13.169 -6.211 15.683 553 HZ3 LYS 75 HZ3 LYS 75 -13.780 -6.887 14.347 554 H MET 76 H MET 76 -9.337 -11.999 11.969 555 HA MET 76 HA MET 76 -11.626 -12.258 10.256 556 HB2 MET 76 HB2 MET 76 -8.858 -12.263 9.344 557 HB3 MET 76 HB3 MET 76 -10.101 -12.683 8.371 558 HG2 MET 76 HG2 MET 76 -9.808 -10.103 9.513 559 HG3 MET 76 HG3 MET 76 -9.213 -10.497 8.044 560 HE1 MET 76 HE1 MET 76 -12.801 -8.312 8.251 561 HE2 MET 76 HE2 MET 76 -11.216 -7.999 8.293 562 HE3 MET 76 HE3 MET 76 -11.946 -8.646 9.581 563 H LYS 77 H LYS 77 -11.562 -14.385 8.986 564 HA LYS 77 HA LYS 77 -11.292 -16.540 8.875 565 HB2 LYS 77 HB2 LYS 77 -8.860 -15.722 8.964 566 HB3 LYS 77 HB3 LYS 77 -8.821 -16.519 10.389 567 HG2 LYS 77 HG2 LYS 77 -9.319 -18.543 9.207 568 HG3 LYS 77 HG3 LYS 77 -9.189 -17.714 7.807 569 HD2 LYS 77 HD2 LYS 77 -6.955 -17.177 8.308 570 HD3 LYS 77 HD3 LYS 77 -7.078 -17.946 9.743 571 HE2 LYS 77 HE2 LYS 77 -7.533 -19.983 8.473 572 HE3 LYS 77 HE3 LYS 77 -7.070 -19.157 7.142 573 HZ1 LYS 77 HZ1 LYS 77 -5.235 -20.374 8.029 574 HZ2 LYS 77 HZ2 LYS 77 -5.398 -19.606 9.442 575 HZ3 LYS 77 HZ3 LYS 77 -4.939 -18.788 8.125 576 H ASP 78 H ASP 78 -12.987 -15.964 10.827 577 HA ASP 78 HA ASP 78 -12.739 -18.389 12.413 578 HB2 ASP 78 HB2 ASP 78 -12.528 -16.307 13.735 579 HB3 ASP 78 HB3 ASP 78 -14.143 -16.191 13.530 580 H THR 79 H THR 79 -14.611 -19.711 12.265 581 HA THR 79 HA THR 79 -16.368 -18.847 10.222 582 HB THR 79 HB THR 79 -17.168 -21.240 10.307 583 HG1 THR 79 HG1 THR 79 -16.700 -21.927 12.258 584 HG21 THR 79 HG21 THR 79 -15.183 -22.114 9.269 585 HG22 THR 79 HG22 THR 79 -14.313 -20.883 9.854 586 HG23 THR 79 HG23 THR 79 -15.431 -20.615 8.716 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 3.378 -19.944 17.557 2 H2 ALA 1 H2 ALA 1 4.175 -18.845 16.677 3 H3 ALA 1 H3 ALA 1 3.523 -20.138 15.957 4 HA ALA 1 HA ALA 1 1.387 -19.386 16.463 5 HB1 ALA 1 HB1 ALA 1 1.896 -18.139 18.509 6 HB2 ALA 1 HB2 ALA 1 1.059 -17.186 17.505 7 HB3 ALA 1 HB3 ALA 1 2.662 -17.014 17.637 8 H ASP 2 H ASP 2 0.151 -18.024 15.048 9 HA ASP 2 HA ASP 2 -0.106 -16.963 13.120 10 HB2 ASP 2 HB2 ASP 2 1.969 -15.190 14.177 11 HB3 ASP 2 HB3 ASP 2 0.748 -14.699 13.209 12 H GLN 3 H GLN 3 1.497 -19.035 12.502 13 HA GLN 3 HA GLN 3 3.658 -18.146 11.006 14 HB2 GLN 3 HB2 GLN 3 3.461 -20.390 11.972 15 HB3 GLN 3 HB3 GLN 3 2.335 -20.739 10.841 16 HG2 GLN 3 HG2 GLN 3 3.994 -20.569 9.147 17 HG3 GLN 3 HG3 GLN 3 5.117 -20.237 10.285 18 HE21 GLN 3 HE21 GLN 3 6.426 -21.993 9.682 19 HE22 GLN 3 HE22 GLN 3 5.956 -23.604 10.112 20 H LEU 4 H LEU 4 4.011 -17.553 8.988 21 HA LEU 4 HA LEU 4 2.020 -18.125 6.941 22 HB2 LEU 4 HB2 LEU 4 3.404 -15.635 7.271 23 HB3 LEU 4 HB3 LEU 4 2.495 -16.011 5.966 24 HG LEU 4 HG LEU 4 1.392 -15.703 8.602 25 HD11 LEU 4 HD11 LEU 4 0.619 -13.533 7.840 26 HD12 LEU 4 HD12 LEU 4 1.398 -13.749 6.441 27 HD13 LEU 4 HD13 LEU 4 2.235 -13.581 7.813 28 HD21 LEU 4 HD21 LEU 4 -0.734 -15.636 7.500 29 HD22 LEU 4 HD22 LEU 4 0.003 -17.045 7.204 30 HD23 LEU 4 HD23 LEU 4 -0.010 -15.887 6.076 31 H THR 5 H THR 5 3.221 -18.065 4.670 32 HA THR 5 HA THR 5 5.724 -19.321 5.035 33 HB THR 5 HB THR 5 5.767 -19.515 2.569 34 HG1 THR 5 HG1 THR 5 3.976 -18.871 1.437 35 HG21 THR 5 HG21 THR 5 3.938 -21.073 2.445 36 HG22 THR 5 HG22 THR 5 3.300 -20.455 3.797 37 HG23 THR 5 HG23 THR 5 4.691 -21.277 3.861 38 H GLU 6 H GLU 6 7.799 -18.593 4.287 39 HA GLU 6 HA GLU 6 8.232 -15.959 4.846 40 HB2 GLU 6 HB2 GLU 6 9.985 -17.797 3.419 41 HB3 GLU 6 HB3 GLU 6 10.518 -16.408 4.092 42 HG2 GLU 6 HG2 GLU 6 9.960 -17.256 6.251 43 HG3 GLU 6 HG3 GLU 6 9.471 -18.654 5.564 44 H GLU 7 H GLU 7 7.761 -17.389 1.778 45 HA GLU 7 HA GLU 7 8.674 -15.315 0.220 46 HB2 GLU 7 HB2 GLU 7 6.565 -17.214 -0.384 47 HB3 GLU 7 HB3 GLU 7 7.311 -16.309 -1.521 48 HG2 GLU 7 HG2 GLU 7 9.337 -17.446 -1.132 49 HG3 GLU 7 HG3 GLU 7 8.644 -18.308 0.070 50 H GLN 8 H GLN 8 5.511 -15.868 1.556 51 HA GLN 8 HA GLN 8 4.425 -13.571 0.356 52 HB2 GLN 8 HB2 GLN 8 3.433 -15.618 2.023 53 HB3 GLN 8 HB3 GLN 8 2.683 -14.185 2.247 54 HG2 GLN 8 HG2 GLN 8 1.442 -15.439 0.701 55 HG3 GLN 8 HG3 GLN 8 2.094 -14.159 -0.077 56 HE21 GLN 8 HE21 GLN 8 3.310 -17.326 0.775 57 HE22 GLN 8 HE22 GLN 8 3.784 -17.763 -0.833 58 H ILE 9 H ILE 9 5.899 -14.283 3.365 59 HA ILE 9 HA ILE 9 5.075 -12.051 4.754 60 HB ILE 9 HB ILE 9 7.460 -13.681 5.137 61 HG12 ILE 9 HG12 ILE 9 5.188 -13.449 6.900 62 HG13 ILE 9 HG13 ILE 9 5.233 -14.557 5.701 63 HG21 ILE 9 HG21 ILE 9 7.899 -12.555 7.246 64 HG22 ILE 9 HG22 ILE 9 6.700 -11.513 6.946 65 HG23 ILE 9 HG23 ILE 9 8.032 -11.498 6.031 66 HD11 ILE 9 HD11 ILE 9 5.818 -15.590 7.792 67 HD12 ILE 9 HD12 ILE 9 7.042 -14.551 7.979 68 HD13 ILE 9 HD13 ILE 9 7.087 -15.649 6.792 69 H ALA 10 H ALA 10 7.633 -12.504 2.458 70 HA ALA 10 HA ALA 10 8.978 -10.173 2.906 71 HB1 ALA 10 HB1 ALA 10 9.835 -11.892 1.423 72 HB2 ALA 10 HB2 ALA 10 9.886 -10.465 0.665 73 HB3 ALA 10 HB3 ALA 10 8.706 -11.517 0.327 74 H GLU 11 H GLU 11 6.395 -10.684 0.583 75 HA GLU 11 HA GLU 11 6.286 -8.057 -0.284 76 HB2 GLU 11 HB2 GLU 11 5.274 -9.906 -1.464 77 HB3 GLU 11 HB3 GLU 11 4.119 -9.984 -0.311 78 HG2 GLU 11 HG2 GLU 11 3.306 -7.863 -0.971 79 HG3 GLU 11 HG3 GLU 11 4.472 -7.765 -2.111 80 H PHE 12 H PHE 12 4.546 -9.703 2.216 81 HA PHE 12 HA PHE 12 2.824 -7.663 2.880 82 HB2 PHE 12 HB2 PHE 12 2.618 -9.947 3.673 83 HB3 PHE 12 HB3 PHE 12 3.886 -9.691 4.672 84 HD1 PHE 12 HD1 PHE 12 0.418 -8.971 4.155 85 HD2 PHE 12 HD2 PHE 12 3.622 -8.497 6.766 86 HE1 PHE 12 HE1 PHE 12 -1.109 -8.274 5.890 87 HE2 PHE 12 HE2 PHE 12 2.111 -7.768 8.501 88 HZ PHE 12 HZ PHE 12 -0.263 -7.676 8.070 89 H LYS 13 H LYS 13 6.029 -8.341 3.997 90 HA LYS 13 HA LYS 13 6.043 -6.373 5.950 91 HB2 LYS 13 HB2 LYS 13 7.601 -8.240 5.899 92 HB3 LYS 13 HB3 LYS 13 8.379 -7.507 4.664 93 HG2 LYS 13 HG2 LYS 13 8.979 -5.729 6.078 94 HG3 LYS 13 HG3 LYS 13 8.165 -6.422 7.313 95 HD2 LYS 13 HD2 LYS 13 9.664 -8.261 7.263 96 HD3 LYS 13 HD3 LYS 13 10.484 -7.554 6.040 97 HE2 LYS 13 HE2 LYS 13 11.627 -7.121 8.058 98 HE3 LYS 13 HE3 LYS 13 11.012 -5.716 7.497 99 HZ1 LYS 13 HZ1 LYS 13 10.609 -5.911 9.830 100 HZ2 LYS 13 HZ2 LYS 13 9.811 -7.297 9.588 101 HZ3 LYS 13 HZ3 LYS 13 9.202 -5.905 9.033 102 H GLU 14 H GLU 14 7.086 -6.343 2.624 103 HA GLU 14 HA GLU 14 8.239 -3.843 2.751 104 HB2 GLU 14 HB2 GLU 14 7.241 -5.301 0.491 105 HB3 GLU 14 HB3 GLU 14 7.866 -3.805 0.290 106 HG2 GLU 14 HG2 GLU 14 9.918 -4.627 1.304 107 HG3 GLU 14 HG3 GLU 14 9.280 -6.128 1.226 108 H ALA 15 H ALA 15 4.947 -4.806 2.162 109 HA ALA 15 HA ALA 15 3.984 -2.356 1.405 110 HB1 ALA 15 HB1 ALA 15 2.637 -4.352 1.262 111 HB2 ALA 15 HB2 ALA 15 1.804 -3.204 2.038 112 HB3 ALA 15 HB3 ALA 15 2.511 -4.393 2.874 113 H PHE 16 H PHE 16 4.499 -3.615 4.603 114 HA PHE 16 HA PHE 16 3.397 -1.400 5.943 115 HB2 PHE 16 HB2 PHE 16 3.704 -3.613 6.936 116 HB3 PHE 16 HB3 PHE 16 5.305 -3.300 7.015 117 HD1 PHE 16 HD1 PHE 16 6.176 -1.614 8.636 118 HD2 PHE 16 HD2 PHE 16 2.163 -2.719 8.561 119 HE1 PHE 16 HE1 PHE 16 5.876 -0.652 10.830 120 HE2 PHE 16 HE2 PHE 16 1.857 -1.788 10.769 121 HZ PHE 16 HZ PHE 16 3.720 -0.761 11.913 122 H SER 17 H SER 17 6.594 -2.366 5.048 123 HA SER 17 HA SER 17 7.949 -0.350 6.296 124 HB2 SER 17 HB2 SER 17 9.043 -2.365 5.412 125 HB3 SER 17 HB3 SER 17 8.799 -1.816 3.894 126 HG SER 17 HG SER 17 10.891 -1.451 4.532 127 H LEU 18 H LEU 18 6.331 -0.234 3.303 128 HA LEU 18 HA LEU 18 7.714 2.027 2.394 129 HB2 LEU 18 HB2 LEU 18 5.323 0.719 1.469 130 HB3 LEU 18 HB3 LEU 18 5.798 2.116 0.770 131 HG LEU 18 HG LEU 18 7.473 -0.222 0.814 132 HD11 LEU 18 HD11 LEU 18 6.766 -0.640 -1.460 133 HD12 LEU 18 HD12 LEU 18 5.713 0.583 -1.354 134 HD13 LEU 18 HD13 LEU 18 5.502 -0.745 -0.455 135 HD21 LEU 18 HD21 LEU 18 8.707 0.872 -0.938 136 HD22 LEU 18 HD22 LEU 18 8.699 1.791 0.392 137 HD23 LEU 18 HD23 LEU 18 7.719 2.148 -0.844 138 H PHE 19 H PHE 19 5.077 1.601 4.463 139 HA PHE 19 HA PHE 19 4.334 4.358 4.268 140 HB2 PHE 19 HB2 PHE 19 3.117 2.133 5.603 141 HB3 PHE 19 HB3 PHE 19 2.680 3.647 6.035 142 HD1 PHE 19 HD1 PHE 19 1.107 4.889 4.762 143 HD2 PHE 19 HD2 PHE 19 2.718 1.378 3.219 144 HE1 PHE 19 HE1 PHE 19 -0.485 4.962 2.948 145 HE2 PHE 19 HE2 PHE 19 1.133 1.434 1.404 146 HZ PHE 19 HZ PHE 19 -0.472 3.229 1.263 147 H ASP 20 H ASP 20 6.018 2.223 6.343 148 HA ASP 20 HA ASP 20 6.268 4.049 8.470 149 HB2 ASP 20 HB2 ASP 20 6.461 1.764 8.962 150 HB3 ASP 20 HB3 ASP 20 7.753 1.630 7.972 151 H LYS 21 H LYS 21 6.999 5.969 7.446 152 HA LYS 21 HA LYS 21 9.348 5.921 5.958 153 HB2 LYS 21 HB2 LYS 21 7.538 7.603 5.762 154 HB3 LYS 21 HB3 LYS 21 8.125 8.289 7.123 155 HG2 LYS 21 HG2 LYS 21 10.242 8.522 5.849 156 HG3 LYS 21 HG3 LYS 21 9.317 8.264 4.528 157 HD2 LYS 21 HD2 LYS 21 8.057 10.156 4.979 158 HD3 LYS 21 HD3 LYS 21 8.823 10.370 6.406 159 HE2 LYS 21 HE2 LYS 21 10.895 10.618 5.142 160 HE3 LYS 21 HE3 LYS 21 9.984 10.660 3.787 161 HZ1 LYS 21 HZ1 LYS 21 10.481 12.856 4.506 162 HZ2 LYS 21 HZ2 LYS 21 9.789 12.556 5.936 163 HZ3 LYS 21 HZ3 LYS 21 8.887 12.597 4.595 164 H ASP 22 H ASP 22 8.699 6.482 9.267 165 HA ASP 22 HA ASP 22 11.188 7.744 9.737 166 HB2 ASP 22 HB2 ASP 22 9.073 6.974 11.530 167 HB3 ASP 22 HB3 ASP 22 10.458 7.628 12.096 168 H GLY 23 H GLY 23 10.043 4.560 9.806 169 HA2 GLY 23 HA2 GLY 23 11.379 2.733 9.722 170 HA3 GLY 23 HA3 GLY 23 12.695 3.637 10.062 171 H ASP 24 H ASP 24 10.053 3.774 12.213 172 HA ASP 24 HA ASP 24 11.686 2.486 14.158 173 HB2 ASP 24 HB2 ASP 24 10.420 3.566 15.822 174 HB3 ASP 24 HB3 ASP 24 10.693 4.675 14.656 175 H GLY 25 H GLY 25 9.186 1.652 12.220 176 HA2 GLY 25 HA2 GLY 25 8.328 -0.506 12.194 177 HA3 GLY 25 HA3 GLY 25 8.631 -0.684 13.790 178 H THR 26 H THR 26 7.092 2.181 12.855 179 HA THR 26 HA THR 26 4.546 1.125 13.664 180 HB THR 26 HB THR 26 5.391 3.809 14.492 181 HG1 THR 26 HG1 THR 26 5.595 1.939 16.409 182 HG21 THR 26 HG21 THR 26 3.828 3.557 16.257 183 HG22 THR 26 HG22 THR 26 3.493 2.051 15.772 184 HG23 THR 26 HG23 THR 26 3.071 3.312 14.849 185 H ILE 27 H ILE 27 2.632 1.994 12.724 186 HA ILE 27 HA ILE 27 3.106 4.030 10.728 187 HB ILE 27 HB ILE 27 1.360 3.062 9.304 188 HG12 ILE 27 HG12 ILE 27 1.453 0.755 10.996 189 HG13 ILE 27 HG13 ILE 27 0.266 1.873 11.094 190 HG21 ILE 27 HG21 ILE 27 2.737 1.314 8.402 191 HG22 ILE 27 HG22 ILE 27 3.637 1.318 9.745 192 HG23 ILE 27 HG23 ILE 27 3.649 2.601 8.761 193 HD11 ILE 27 HD11 ILE 27 -0.484 -0.003 9.803 194 HD12 ILE 27 HD12 ILE 27 0.739 0.204 8.764 195 HD13 ILE 27 HD13 ILE 27 -0.437 1.311 8.862 196 H THR 28 H THR 28 1.012 5.360 10.227 197 HA THR 28 HA THR 28 -0.200 5.770 12.746 198 HB THR 28 HB THR 28 -1.040 7.870 11.913 199 HG1 THR 28 HG1 THR 28 -0.846 6.624 9.564 200 HG21 THR 28 HG21 THR 28 0.963 8.928 11.132 201 HG22 THR 28 HG22 THR 28 1.620 7.486 10.810 202 HG23 THR 28 HG23 THR 28 1.344 7.925 12.343 203 H THR 29 H THR 29 -2.495 5.812 13.202 204 HA THR 29 HA THR 29 -3.946 3.886 11.916 205 HB THR 29 HB THR 29 -5.931 4.989 13.071 206 HG1 THR 29 HG1 THR 29 -3.890 6.733 13.645 207 HG21 THR 29 HG21 THR 29 -5.204 4.381 15.267 208 HG22 THR 29 HG22 THR 29 -3.666 4.352 14.770 209 HG23 THR 29 HG23 THR 29 -4.712 3.245 14.226 210 H LYS 30 H LYS 30 -3.457 7.133 11.169 211 HA LYS 30 HA LYS 30 -5.706 7.666 9.673 212 HB2 LYS 30 HB2 LYS 30 -3.051 8.823 9.358 213 HB3 LYS 30 HB3 LYS 30 -4.416 9.521 8.795 214 HG2 LYS 30 HG2 LYS 30 -5.146 9.912 11.006 215 HG3 LYS 30 HG3 LYS 30 -3.810 9.175 11.588 216 HD2 LYS 30 HD2 LYS 30 -2.453 10.866 10.596 217 HD3 LYS 30 HD3 LYS 30 -3.797 11.607 10.037 218 HE2 LYS 30 HE2 LYS 30 -3.139 12.748 11.963 219 HE3 LYS 30 HE3 LYS 30 -4.498 11.923 12.337 220 HZ1 LYS 30 HZ1 LYS 30 -2.901 11.697 14.075 221 HZ2 LYS 30 HZ2 LYS 30 -1.836 11.070 13.032 222 HZ3 LYS 30 HZ3 LYS 30 -3.181 10.253 13.403 223 H GLU 31 H GLU 31 -2.919 5.914 8.931 224 HA GLU 31 HA GLU 31 -3.575 5.908 6.131 225 HB2 GLU 31 HB2 GLU 31 -1.031 5.413 7.440 226 HB3 GLU 31 HB3 GLU 31 -1.225 5.247 5.827 227 HG2 GLU 31 HG2 GLU 31 -1.474 7.499 5.518 228 HG3 GLU 31 HG3 GLU 31 -1.763 7.761 7.104 229 H LEU 32 H LEU 32 -4.042 4.055 8.692 230 HA LEU 32 HA LEU 32 -3.224 1.569 8.051 231 HB2 LEU 32 HB2 LEU 32 -4.279 1.955 10.112 232 HB3 LEU 32 HB3 LEU 32 -5.651 2.443 9.373 233 HG LEU 32 HG LEU 32 -6.114 0.177 8.797 234 HD11 LEU 32 HD11 LEU 32 -4.886 -1.614 9.765 235 HD12 LEU 32 HD12 LEU 32 -3.814 -0.562 10.364 236 HD13 LEU 32 HD13 LEU 32 -3.947 -0.758 8.765 237 HD21 LEU 32 HD21 LEU 32 -6.749 -0.513 11.027 238 HD22 LEU 32 HD22 LEU 32 -7.078 1.056 10.816 239 HD23 LEU 32 HD23 LEU 32 -5.766 0.610 11.651 240 H GLY 33 H GLY 33 -6.233 2.993 7.014 241 HA2 GLY 33 HA2 GLY 33 -7.114 0.754 5.628 242 HA3 GLY 33 HA3 GLY 33 -7.657 2.279 5.411 243 H THR 34 H THR 34 -4.999 3.299 4.715 244 HA THR 34 HA THR 34 -5.222 2.884 1.988 245 HB THR 34 HB THR 34 -2.918 4.118 3.309 246 HG1 THR 34 HG1 THR 34 -4.028 6.014 3.375 247 HG21 THR 34 HG21 THR 34 -2.729 5.440 1.324 248 HG22 THR 34 HG22 THR 34 -4.024 4.709 0.689 249 HG23 THR 34 HG23 THR 34 -2.655 3.879 0.910 250 H VAL 35 H VAL 35 -3.015 1.620 4.358 251 HA VAL 35 HA VAL 35 -1.259 0.512 2.624 252 HB VAL 35 HB VAL 35 -1.884 -0.704 5.235 253 HG11 VAL 35 HG11 VAL 35 0.394 -1.494 5.248 254 HG12 VAL 35 HG12 VAL 35 0.638 -0.831 3.793 255 HG13 VAL 35 HG13 VAL 35 -0.379 -2.078 3.953 256 HG21 VAL 35 HG21 VAL 35 -0.256 0.729 6.233 257 HG22 VAL 35 HG22 VAL 35 -1.444 1.610 5.579 258 HG23 VAL 35 HG23 VAL 35 -0.026 1.470 4.814 259 H MET 36 H MET 36 -3.967 -1.110 4.180 260 HA MET 36 HA MET 36 -3.492 -3.462 2.787 261 HB2 MET 36 HB2 MET 36 -5.482 -4.298 3.773 262 HB3 MET 36 HB3 MET 36 -4.613 -3.482 4.890 263 HG2 MET 36 HG2 MET 36 -6.021 -1.640 4.607 264 HG3 MET 36 HG3 MET 36 -6.909 -2.502 3.542 265 HE1 MET 36 HE1 MET 36 -6.747 -3.072 8.025 266 HE2 MET 36 HE2 MET 36 -6.329 -1.732 7.221 267 HE3 MET 36 HE3 MET 36 -5.403 -3.055 7.126 268 H ARG 37 H ARG 37 -5.334 -0.721 1.911 269 HA ARG 37 HA ARG 37 -6.821 -2.041 -0.034 270 HB2 ARG 37 HB2 ARG 37 -6.299 0.740 0.374 271 HB3 ARG 37 HB3 ARG 37 -7.063 0.274 -0.993 272 HG2 ARG 37 HG2 ARG 37 -8.745 -0.771 0.415 273 HG3 ARG 37 HG3 ARG 37 -8.035 -0.048 1.695 274 HD2 ARG 37 HD2 ARG 37 -9.379 1.279 -0.481 275 HD3 ARG 37 HD3 ARG 37 -9.821 1.303 1.092 276 HE ARG 37 HE ARG 37 -8.056 2.783 1.606 277 HH11 ARG 37 HH11 ARG 37 -6.936 4.578 0.973 278 HH12 ARG 37 HH12 ARG 37 -6.770 4.972 -0.706 279 HH21 ARG 37 HH21 ARG 37 -8.555 2.256 -1.847 280 HH22 ARG 37 HH22 ARG 37 -7.670 3.681 -2.276 281 H SER 38 H SER 38 -3.591 -1.097 0.027 282 HA SER 38 HA SER 38 -3.207 -0.885 -2.724 283 HB2 SER 38 HB2 SER 38 -1.541 -0.120 -1.130 284 HB3 SER 38 HB3 SER 38 -1.165 -1.679 -0.819 285 HG SER 38 HG SER 38 0.276 -1.184 -2.273 286 H LEU 39 H LEU 39 -3.542 -3.490 -0.570 287 HA LEU 39 HA LEU 39 -2.693 -5.451 -2.464 288 HB2 LEU 39 HB2 LEU 39 -3.565 -5.703 0.266 289 HB3 LEU 39 HB3 LEU 39 -3.293 -7.022 -0.658 290 HG LEU 39 HG LEU 39 -1.561 -6.789 0.803 291 HD11 LEU 39 HD11 LEU 39 0.337 -6.686 -0.707 292 HD12 LEU 39 HD12 LEU 39 -0.619 -6.044 -1.843 293 HD13 LEU 39 HD13 LEU 39 -0.860 -7.565 -1.348 294 HD21 LEU 39 HD21 LEU 39 -0.099 -4.891 0.914 295 HD22 LEU 39 HD22 LEU 39 -1.602 -4.495 1.357 296 HD23 LEU 39 HD23 LEU 39 -1.062 -4.097 -0.114 297 H GLY 40 H GLY 40 -5.306 -3.674 -2.128 298 HA2 GLY 40 HA2 GLY 40 -7.267 -3.973 -3.274 299 HA3 GLY 40 HA3 GLY 40 -6.999 -5.580 -3.394 300 H GLN 41 H GLN 41 -6.547 -5.100 -0.261 301 HA GLN 41 HA GLN 41 -9.116 -6.065 0.387 302 HB2 GLN 41 HB2 GLN 41 -7.208 -6.827 1.593 303 HB3 GLN 41 HB3 GLN 41 -6.970 -5.318 2.173 304 HG2 GLN 41 HG2 GLN 41 -7.943 -6.669 3.845 305 HG3 GLN 41 HG3 GLN 41 -8.984 -5.483 3.426 306 HE21 GLN 41 HE21 GLN 41 -10.789 -6.583 4.234 307 HE22 GLN 41 HE22 GLN 41 -11.435 -7.943 3.379 308 H ASN 42 H ASN 42 -10.911 -4.858 0.612 309 HA ASN 42 HA ASN 42 -10.539 -2.118 1.416 310 HB2 ASN 42 HB2 ASN 42 -12.729 -3.300 -0.080 311 HB3 ASN 42 HB3 ASN 42 -12.752 -1.742 0.412 312 HD21 ASN 42 HD21 ASN 42 -11.941 -3.819 -2.012 313 HD22 ASN 42 HD22 ASN 42 -11.011 -2.722 -2.979 314 HA PRO 43 HA PRO 43 -12.745 -3.796 4.890 315 HB2 PRO 43 HB2 PRO 43 -11.829 -2.291 6.873 316 HB3 PRO 43 HB3 PRO 43 -10.830 -3.434 6.268 317 HG2 PRO 43 HG2 PRO 43 -10.919 -0.660 5.588 318 HG3 PRO 43 HG3 PRO 43 -9.607 -1.543 5.996 319 HD2 PRO 43 HD2 PRO 43 -10.171 -1.128 3.475 320 HD3 PRO 43 HD3 PRO 43 -9.495 -2.541 3.936 321 H THR 44 H THR 44 -14.557 -3.273 6.074 322 HA THR 44 HA THR 44 -15.934 -0.996 5.135 323 HB THR 44 HB THR 44 -16.951 -2.534 7.347 324 HG1 THR 44 HG1 THR 44 -16.633 -4.332 6.358 325 HG21 THR 44 HG21 THR 44 -18.995 -2.341 6.162 326 HG22 THR 44 HG22 THR 44 -18.228 -1.654 4.915 327 HG23 THR 44 HG23 THR 44 -18.346 -0.869 6.324 328 H GLU 45 H GLU 45 -16.662 0.833 6.519 329 HA GLU 45 HA GLU 45 -14.663 1.682 8.209 330 HB2 GLU 45 HB2 GLU 45 -15.992 3.569 8.663 331 HB3 GLU 45 HB3 GLU 45 -16.193 3.181 7.090 332 HG2 GLU 45 HG2 GLU 45 -18.108 2.659 9.182 333 HG3 GLU 45 HG3 GLU 45 -18.269 3.790 8.017 334 H ALA 46 H ALA 46 -17.492 -0.111 8.904 335 HA ALA 46 HA ALA 46 -17.494 0.231 11.645 336 HB1 ALA 46 HB1 ALA 46 -19.383 -0.738 10.483 337 HB2 ALA 46 HB2 ALA 46 -18.928 -1.736 11.670 338 HB3 ALA 46 HB3 ALA 46 -18.510 -2.055 10.141 339 H GLU 47 H GLU 47 -15.872 -2.070 9.619 340 HA GLU 47 HA GLU 47 -14.843 -3.625 11.680 341 HB2 GLU 47 HB2 GLU 47 -13.841 -3.316 8.976 342 HB3 GLU 47 HB3 GLU 47 -13.345 -4.504 9.980 343 HG2 GLU 47 HG2 GLU 47 -15.458 -5.487 9.917 344 HG3 GLU 47 HG3 GLU 47 -16.031 -4.258 9.008 345 H LEU 48 H LEU 48 -13.795 -0.803 10.073 346 HA LEU 48 HA LEU 48 -11.165 -0.794 10.888 347 HB2 LEU 48 HB2 LEU 48 -12.258 0.634 9.172 348 HB3 LEU 48 HB3 LEU 48 -12.693 1.608 10.408 349 HG LEU 48 HG LEU 48 -10.292 1.879 10.854 350 HD11 LEU 48 HD11 LEU 48 -8.798 1.432 9.024 351 HD12 LEU 48 HD12 LEU 48 -10.009 0.756 8.193 352 HD13 LEU 48 HD13 LEU 48 -9.463 0.052 9.543 353 HD21 LEU 48 HD21 LEU 48 -10.081 3.599 9.175 354 HD22 LEU 48 HD22 LEU 48 -11.565 3.635 9.815 355 HD23 LEU 48 HD23 LEU 48 -11.326 2.963 8.364 356 H GLN 49 H GLN 49 -14.030 0.305 12.446 357 HA GLN 49 HA GLN 49 -12.892 1.823 14.413 358 HB2 GLN 49 HB2 GLN 49 -15.278 1.697 14.005 359 HB3 GLN 49 HB3 GLN 49 -15.296 0.228 14.720 360 HG2 GLN 49 HG2 GLN 49 -14.654 1.247 16.780 361 HG3 GLN 49 HG3 GLN 49 -14.701 2.710 16.055 362 HE21 GLN 49 HE21 GLN 49 -16.315 0.780 18.048 363 HE22 GLN 49 HE22 GLN 49 -17.927 1.354 17.782 364 H ASP 50 H ASP 50 -13.483 -1.597 14.348 365 HA ASP 50 HA ASP 50 -12.717 -2.105 16.948 366 HB2 ASP 50 HB2 ASP 50 -12.717 -3.894 14.664 367 HB3 ASP 50 HB3 ASP 50 -12.458 -4.432 16.184 368 H MET 51 H MET 51 -10.913 -1.978 13.993 369 HA MET 51 HA MET 51 -8.565 -3.045 14.973 370 HB2 MET 51 HB2 MET 51 -8.829 -1.138 12.804 371 HB3 MET 51 HB3 MET 51 -7.499 -2.053 13.052 372 HG2 MET 51 HG2 MET 51 -8.674 -3.956 12.569 373 HG3 MET 51 HG3 MET 51 -10.054 -3.097 12.422 374 HE1 MET 51 HE1 MET 51 -9.826 -3.740 8.695 375 HE2 MET 51 HE2 MET 51 -10.834 -3.528 9.940 376 HE3 MET 51 HE3 MET 51 -9.795 -4.768 9.944 377 H ILE 52 H ILE 52 -9.825 0.148 14.984 378 HA ILE 52 HA ILE 52 -7.450 1.318 15.879 379 HB ILE 52 HB ILE 52 -10.133 2.470 15.731 380 HG12 ILE 52 HG12 ILE 52 -7.898 3.148 14.033 381 HG13 ILE 52 HG13 ILE 52 -8.914 1.931 13.641 382 HG21 ILE 52 HG21 ILE 52 -9.154 4.665 16.101 383 HG22 ILE 52 HG22 ILE 52 -7.705 3.984 16.331 384 HG23 ILE 52 HG23 ILE 52 -8.896 3.729 17.394 385 HD11 ILE 52 HD11 ILE 52 -9.518 3.916 12.445 386 HD12 ILE 52 HD12 ILE 52 -9.711 4.714 13.838 387 HD13 ILE 52 HD13 ILE 52 -10.718 3.510 13.450 388 H ASN 53 H ASN 53 -10.401 0.307 17.492 389 HA ASN 53 HA ASN 53 -9.690 1.475 19.893 390 HB2 ASN 53 HB2 ASN 53 -11.642 0.721 20.696 391 HB3 ASN 53 HB3 ASN 53 -11.927 0.361 19.128 392 HD21 ASN 53 HD21 ASN 53 -10.989 -0.932 22.185 393 HD22 ASN 53 HD22 ASN 53 -11.394 -2.577 21.827 394 H GLU 54 H GLU 54 -8.678 -1.417 18.503 395 HA GLU 54 HA GLU 54 -7.833 -2.657 20.853 396 HB2 GLU 54 HB2 GLU 54 -8.273 -3.777 18.700 397 HB3 GLU 54 HB3 GLU 54 -6.836 -3.200 18.180 398 HG2 GLU 54 HG2 GLU 54 -5.741 -4.830 19.118 399 HG3 GLU 54 HG3 GLU 54 -6.559 -4.667 20.521 400 H VAL 55 H VAL 55 -6.365 -0.358 18.795 401 HA VAL 55 HA VAL 55 -3.914 -0.757 20.164 402 HB VAL 55 HB VAL 55 -2.817 0.423 18.241 403 HG11 VAL 55 HG11 VAL 55 -3.170 -1.295 16.590 404 HG12 VAL 55 HG12 VAL 55 -4.476 -1.805 17.398 405 HG13 VAL 55 HG13 VAL 55 -3.006 -1.959 18.056 406 HG21 VAL 55 HG21 VAL 55 -4.150 1.015 16.316 407 HG22 VAL 55 HG22 VAL 55 -4.647 1.854 17.606 408 HG23 VAL 55 HG23 VAL 55 -5.492 0.571 17.102 409 H ASP 56 H ASP 56 -6.286 1.588 19.896 410 HA ASP 56 HA ASP 56 -4.550 3.742 20.478 411 HB2 ASP 56 HB2 ASP 56 -6.702 3.848 19.157 412 HB3 ASP 56 HB3 ASP 56 -7.423 3.994 20.616 413 H ALA 57 H ALA 57 -4.298 1.864 22.434 414 HA ALA 57 HA ALA 57 -5.870 2.328 24.633 415 HB1 ALA 57 HB1 ALA 57 -4.471 0.337 24.397 416 HB2 ALA 57 HB2 ALA 57 -4.180 1.024 25.831 417 HB3 ALA 57 HB3 ALA 57 -3.147 1.243 24.606 418 H ASP 58 H ASP 58 -2.944 3.851 23.666 419 HA ASP 58 HA ASP 58 -2.946 5.459 26.040 420 HB2 ASP 58 HB2 ASP 58 -0.897 4.967 24.067 421 HB3 ASP 58 HB3 ASP 58 -0.729 6.222 25.100 422 H GLY 59 H GLY 59 -4.501 5.665 23.310 423 HA2 GLY 59 HA2 GLY 59 -5.411 7.432 22.224 424 HA3 GLY 59 HA3 GLY 59 -4.851 8.427 23.393 425 H ASN 60 H ASN 60 -2.816 6.431 21.465 426 HA ASN 60 HA ASN 60 -1.444 8.768 20.658 427 HB2 ASN 60 HB2 ASN 60 0.361 7.173 20.023 428 HB3 ASN 60 HB3 ASN 60 -0.065 7.058 21.595 429 HD21 ASN 60 HD21 ASN 60 0.798 4.955 21.745 430 HD22 ASN 60 HD22 ASN 60 -0.076 3.618 21.073 431 H GLY 61 H GLY 61 -3.568 6.683 19.162 432 HA2 GLY 61 HA2 GLY 61 -4.238 6.599 17.024 433 HA3 GLY 61 HA3 GLY 61 -3.497 8.031 16.766 434 H THR 62 H THR 62 -1.667 5.280 17.706 435 HA THR 62 HA THR 62 -0.609 5.089 15.036 436 HB THR 62 HB THR 62 1.586 4.516 16.135 437 HG1 THR 62 HG1 THR 62 0.776 5.796 18.370 438 HG21 THR 62 HG21 THR 62 2.169 6.801 16.573 439 HG22 THR 62 HG22 THR 62 0.604 7.204 16.644 440 HG23 THR 62 HG23 THR 62 1.259 6.749 15.238 441 H ILE 63 H ILE 63 0.640 2.960 14.620 442 HA ILE 63 HA ILE 63 -0.604 0.836 16.057 443 HB ILE 63 HB ILE 63 -0.363 0.774 13.130 444 HG12 ILE 63 HG12 ILE 63 -2.773 1.184 14.646 445 HG13 ILE 63 HG13 ILE 63 -2.030 2.319 13.736 446 HG21 ILE 63 HG21 ILE 63 -1.647 -1.277 13.214 447 HG22 ILE 63 HG22 ILE 63 -1.683 -1.197 14.829 448 HG23 ILE 63 HG23 ILE 63 -0.283 -1.456 14.062 449 HD11 ILE 63 HD11 ILE 63 -3.911 1.477 12.615 450 HD12 ILE 63 HD12 ILE 63 -3.306 -0.021 12.690 451 HD13 ILE 63 HD13 ILE 63 -2.571 1.104 11.789 452 H ASP 64 H ASP 64 0.952 -0.423 16.952 453 HA ASP 64 HA ASP 64 3.565 -0.394 15.924 454 HB2 ASP 64 HB2 ASP 64 2.397 -1.993 18.040 455 HB3 ASP 64 HB3 ASP 64 4.002 -1.956 17.740 456 H PHE 65 H PHE 65 4.762 -1.984 14.832 457 HA PHE 65 HA PHE 65 3.344 -3.493 13.124 458 HB2 PHE 65 HB2 PHE 65 5.676 -2.916 12.773 459 HB3 PHE 65 HB3 PHE 65 6.111 -3.989 13.925 460 HD1 PHE 65 HD1 PHE 65 6.945 -6.058 13.225 461 HD2 PHE 65 HD2 PHE 65 4.309 -3.990 10.763 462 HE1 PHE 65 HE1 PHE 65 7.214 -7.752 11.523 463 HE2 PHE 65 HE2 PHE 65 4.563 -5.672 9.054 464 HZ PHE 65 HZ PHE 65 6.017 -7.559 9.429 465 HA PRO 66 HA PRO 66 3.831 -7.426 15.259 466 HB2 PRO 66 HB2 PRO 66 3.984 -7.618 17.933 467 HB3 PRO 66 HB3 PRO 66 5.356 -7.543 17.050 468 HG2 PRO 66 HG2 PRO 66 4.028 -5.439 18.402 469 HG3 PRO 66 HG3 PRO 66 5.623 -5.788 18.395 470 HD2 PRO 66 HD2 PRO 66 4.687 -3.908 16.857 471 HD3 PRO 66 HD3 PRO 66 5.943 -4.825 16.359 472 H GLU 67 H GLU 67 2.059 -5.040 17.045 473 HA GLU 67 HA GLU 67 -0.119 -6.700 17.539 474 HB2 GLU 67 HB2 GLU 67 0.255 -3.874 17.552 475 HB3 GLU 67 HB3 GLU 67 -1.286 -4.416 17.564 476 HG2 GLU 67 HG2 GLU 67 -0.525 -3.989 19.767 477 HG3 GLU 67 HG3 GLU 67 -0.886 -5.570 19.576 478 H PHE 68 H PHE 68 0.661 -4.553 14.934 479 HA PHE 68 HA PHE 68 -1.588 -4.794 13.414 480 HB2 PHE 68 HB2 PHE 68 0.157 -3.271 12.850 481 HB3 PHE 68 HB3 PHE 68 1.158 -4.513 12.508 482 HD1 PHE 68 HD1 PHE 68 -1.886 -2.922 11.341 483 HD2 PHE 68 HD2 PHE 68 1.331 -5.358 10.322 484 HE1 PHE 68 HE1 PHE 68 -2.545 -2.815 9.022 485 HE2 PHE 68 HE2 PHE 68 0.689 -5.246 7.999 486 HZ PHE 68 HZ PHE 68 -1.245 -3.965 7.344 487 H LEU 69 H LEU 69 1.244 -6.829 13.434 488 HA LEU 69 HA LEU 69 0.335 -8.521 11.458 489 HB2 LEU 69 HB2 LEU 69 2.537 -8.431 13.150 490 HB3 LEU 69 HB3 LEU 69 2.022 -9.977 13.031 491 HG LEU 69 HG LEU 69 2.849 -8.388 10.784 492 HD11 LEU 69 HD11 LEU 69 4.848 -9.768 10.823 493 HD12 LEU 69 HD12 LEU 69 4.305 -10.508 12.154 494 HD13 LEU 69 HD13 LEU 69 4.719 -8.946 12.209 495 HD21 LEU 69 HD21 LEU 69 2.792 -10.429 9.522 496 HD22 LEU 69 HD22 LEU 69 1.320 -10.095 10.100 497 HD23 LEU 69 HD23 LEU 69 2.232 -11.221 10.816 498 H THR 70 H THR 70 0.153 -8.729 14.915 499 HA THR 70 HA THR 70 -0.803 -11.295 15.000 500 HB THR 70 HB THR 70 -1.217 -9.237 17.045 501 HG1 THR 70 HG1 THR 70 0.649 -10.600 17.921 502 HG21 THR 70 HG21 THR 70 -1.408 -11.037 18.611 503 HG22 THR 70 HG22 THR 70 -1.221 -12.116 17.422 504 HG23 THR 70 HG23 THR 70 -2.558 -11.208 17.487 505 H MET 71 H MET 71 -2.608 -8.269 15.024 506 HA MET 71 HA MET 71 -5.054 -9.525 15.268 507 HB2 MET 71 HB2 MET 71 -6.099 -7.510 14.702 508 HB3 MET 71 HB3 MET 71 -4.828 -7.189 15.677 509 HG2 MET 71 HG2 MET 71 -3.596 -6.411 13.930 510 HG3 MET 71 HG3 MET 71 -4.719 -6.909 12.855 511 HE1 MET 71 HE1 MET 71 -5.109 -3.310 15.603 512 HE2 MET 71 HE2 MET 71 -3.736 -4.123 15.349 513 HE3 MET 71 HE3 MET 71 -4.941 -4.812 16.178 514 H MET 72 H MET 72 -3.144 -8.737 12.488 515 HA MET 72 HA MET 72 -5.072 -9.319 10.589 516 HB2 MET 72 HB2 MET 72 -2.924 -8.127 10.235 517 HB3 MET 72 HB3 MET 72 -2.232 -9.603 10.127 518 HG2 MET 72 HG2 MET 72 -2.536 -8.857 8.035 519 HG3 MET 72 HG3 MET 72 -3.585 -10.082 8.290 520 HE1 MET 72 HE1 MET 72 -4.671 -5.654 8.020 521 HE2 MET 72 HE2 MET 72 -3.231 -6.268 7.619 522 HE3 MET 72 HE3 MET 72 -3.690 -6.230 9.169 523 H ALA 73 H ALA 73 -2.573 -11.260 12.013 524 HA ALA 73 HA ALA 73 -2.999 -13.498 10.477 525 HB1 ALA 73 HB1 ALA 73 -1.003 -13.216 11.810 526 HB2 ALA 73 HB2 ALA 73 -1.671 -14.650 12.147 527 HB3 ALA 73 HB3 ALA 73 -1.872 -13.405 13.161 528 H ARG 74 H ARG 74 -4.348 -12.645 13.591 529 HA ARG 74 HA ARG 74 -5.689 -15.031 13.914 530 HB2 ARG 74 HB2 ARG 74 -5.827 -12.515 15.214 531 HB3 ARG 74 HB3 ARG 74 -7.172 -13.427 15.381 532 HG2 ARG 74 HG2 ARG 74 -5.959 -13.963 17.214 533 HG3 ARG 74 HG3 ARG 74 -5.644 -15.198 16.194 534 HD2 ARG 74 HD2 ARG 74 -3.590 -14.139 15.578 535 HD3 ARG 74 HD3 ARG 74 -3.897 -12.949 16.654 536 HE ARG 74 HE ARG 74 -2.879 -15.524 17.223 537 HH11 ARG 74 HH11 ARG 74 -4.498 -12.746 18.670 538 HH12 ARG 74 HH12 ARG 74 -3.991 -13.181 20.267 539 HH21 ARG 74 HH21 ARG 74 -2.278 -16.006 19.285 540 HH22 ARG 74 HH22 ARG 74 -2.756 -14.995 20.607 541 H LYS 75 H LYS 75 -6.615 -12.164 12.269 542 HA LYS 75 HA LYS 75 -9.285 -12.832 11.989 543 HB2 LYS 75 HB2 LYS 75 -7.618 -10.852 10.940 544 HB3 LYS 75 HB3 LYS 75 -8.715 -11.324 9.827 545 HG2 LYS 75 HG2 LYS 75 -9.639 -9.489 10.889 546 HG3 LYS 75 HG3 LYS 75 -10.455 -10.786 11.455 547 HD2 LYS 75 HD2 LYS 75 -9.095 -10.745 13.430 548 HD3 LYS 75 HD3 LYS 75 -8.355 -9.401 12.870 549 HE2 LYS 75 HE2 LYS 75 -11.173 -9.527 13.484 550 HE3 LYS 75 HE3 LYS 75 -10.058 -8.890 14.492 551 HZ1 LYS 75 HZ1 LYS 75 -11.169 -7.164 13.310 552 HZ2 LYS 75 HZ2 LYS 75 -10.709 -7.814 11.902 553 HZ3 LYS 75 HZ3 LYS 75 -9.605 -7.183 12.901 554 H MET 76 H MET 76 -6.565 -14.113 10.512 555 HA MET 76 HA MET 76 -8.183 -15.209 8.444 556 HB2 MET 76 HB2 MET 76 -5.293 -14.745 8.363 557 HB3 MET 76 HB3 MET 76 -6.117 -15.365 7.096 558 HG2 MET 76 HG2 MET 76 -6.386 -12.735 8.143 559 HG3 MET 76 HG3 MET 76 -5.598 -13.128 6.768 560 HE1 MET 76 HE1 MET 76 -8.364 -14.056 4.268 561 HE2 MET 76 HE2 MET 76 -7.363 -15.019 5.095 562 HE3 MET 76 HE3 MET 76 -6.801 -13.667 4.410 563 H LYS 77 H LYS 77 -6.195 -16.210 10.998 564 HA LYS 77 HA LYS 77 -6.761 -18.886 10.368 565 HB2 LYS 77 HB2 LYS 77 -4.577 -18.187 9.233 566 HB3 LYS 77 HB3 LYS 77 -3.933 -18.302 10.730 567 HG2 LYS 77 HG2 LYS 77 -4.607 -20.632 10.744 568 HG3 LYS 77 HG3 LYS 77 -5.006 -20.465 9.169 569 HD2 LYS 77 HD2 LYS 77 -2.915 -21.341 9.092 570 HD3 LYS 77 HD3 LYS 77 -2.664 -19.747 8.836 571 HE2 LYS 77 HE2 LYS 77 -2.043 -19.455 11.101 572 HE3 LYS 77 HE3 LYS 77 -2.364 -21.027 11.410 573 HZ1 LYS 77 HZ1 LYS 77 -0.037 -20.708 11.136 574 HZ2 LYS 77 HZ2 LYS 77 -0.283 -20.108 9.654 575 HZ3 LYS 77 HZ3 LYS 77 -0.601 -21.664 9.960 576 H ASP 78 H ASP 78 -6.754 -20.394 11.986 577 HA ASP 78 HA ASP 78 -6.593 -19.443 14.608 578 HB2 ASP 78 HB2 ASP 78 -6.742 -22.184 13.664 579 HB3 ASP 78 HB3 ASP 78 -7.009 -21.750 15.215 580 H THR 79 H THR 79 -5.164 -20.315 16.374 581 HA THR 79 HA THR 79 -2.832 -21.594 15.638 582 HB THR 79 HB THR 79 -1.833 -19.628 14.829 583 HG1 THR 79 HG1 THR 79 -1.173 -19.949 17.440 584 HG21 THR 79 HG21 THR 79 -2.222 -17.446 15.747 585 HG22 THR 79 HG22 THR 79 -3.115 -18.083 16.936 586 HG23 THR 79 HG23 THR 79 -3.651 -18.124 15.411 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 1.658 -19.959 17.354 2 H2 ALA 1 H2 ALA 1 0.517 -20.114 16.219 3 H3 ALA 1 H3 ALA 1 0.873 -18.653 16.813 4 HA ALA 1 HA ALA 1 3.011 -18.743 15.821 5 HB1 ALA 1 HB1 ALA 1 3.334 -21.166 15.879 6 HB2 ALA 1 HB2 ALA 1 3.599 -20.629 14.377 7 HB3 ALA 1 HB3 ALA 1 2.197 -21.348 14.744 8 H ASP 2 H ASP 2 3.440 -18.378 13.415 9 HA ASP 2 HA ASP 2 1.332 -16.911 12.396 10 HB2 ASP 2 HB2 ASP 2 3.724 -17.875 11.091 11 HB3 ASP 2 HB3 ASP 2 2.657 -16.932 10.291 12 H GLN 3 H GLN 3 -0.055 -17.219 10.595 13 HA GLN 3 HA GLN 3 -0.303 -19.981 9.703 14 HB2 GLN 3 HB2 GLN 3 -2.455 -18.206 10.374 15 HB3 GLN 3 HB3 GLN 3 -2.686 -19.582 9.525 16 HG2 GLN 3 HG2 GLN 3 -1.604 -19.604 12.205 17 HG3 GLN 3 HG3 GLN 3 -3.202 -19.774 11.912 18 HE21 GLN 3 HE21 GLN 3 -4.065 -21.718 11.457 19 HE22 GLN 3 HE22 GLN 3 -3.110 -23.145 11.228 20 H LEU 4 H LEU 4 1.314 -17.989 8.570 21 HA LEU 4 HA LEU 4 -0.093 -17.386 6.094 22 HB2 LEU 4 HB2 LEU 4 1.920 -15.760 7.373 23 HB3 LEU 4 HB3 LEU 4 1.283 -15.429 5.906 24 HG LEU 4 HG LEU 4 -0.320 -15.424 8.284 25 HD11 LEU 4 HD11 LEU 4 -0.052 -13.023 8.316 26 HD12 LEU 4 HD12 LEU 4 0.990 -13.126 7.083 27 HD13 LEU 4 HD13 LEU 4 1.381 -13.743 8.525 28 HD21 LEU 4 HD21 LEU 4 -1.868 -14.138 6.965 29 HD22 LEU 4 HD22 LEU 4 -1.598 -15.568 6.260 30 HD23 LEU 4 HD23 LEU 4 -0.875 -14.236 5.693 31 H THR 5 H THR 5 1.024 -17.919 4.135 32 HA THR 5 HA THR 5 3.132 -19.721 4.447 33 HB THR 5 HB THR 5 3.289 -19.557 1.961 34 HG1 THR 5 HG1 THR 5 1.648 -17.468 2.498 35 HG21 THR 5 HG21 THR 5 1.103 -20.505 1.562 36 HG22 THR 5 HG22 THR 5 0.578 -19.932 2.979 37 HG23 THR 5 HG23 THR 5 1.676 -21.119 2.944 38 H GLU 6 H GLU 6 5.440 -19.458 3.858 39 HA GLU 6 HA GLU 6 6.364 -17.070 4.751 40 HB2 GLU 6 HB2 GLU 6 8.582 -17.936 4.331 41 HB3 GLU 6 HB3 GLU 6 7.647 -19.161 4.868 42 HG2 GLU 6 HG2 GLU 6 7.440 -19.965 2.663 43 HG3 GLU 6 HG3 GLU 6 8.385 -18.743 2.132 44 H GLU 7 H GLU 7 5.779 -17.942 1.538 45 HA GLU 7 HA GLU 7 7.235 -15.886 0.324 46 HB2 GLU 7 HB2 GLU 7 6.414 -17.844 -0.844 47 HB3 GLU 7 HB3 GLU 7 4.896 -17.258 -0.706 48 HG2 GLU 7 HG2 GLU 7 5.663 -16.861 -2.882 49 HG3 GLU 7 HG3 GLU 7 5.498 -15.427 -2.116 50 H GLN 8 H GLN 8 4.048 -16.010 1.654 51 HA GLN 8 HA GLN 8 3.154 -13.597 0.605 52 HB2 GLN 8 HB2 GLN 8 1.707 -15.283 1.621 53 HB3 GLN 8 HB3 GLN 8 2.296 -14.864 3.086 54 HG2 GLN 8 HG2 GLN 8 0.155 -13.904 2.727 55 HG3 GLN 8 HG3 GLN 8 1.286 -12.741 2.908 56 HE21 GLN 8 HE21 GLN 8 0.770 -11.026 1.716 57 HE22 GLN 8 HE22 GLN 8 0.268 -11.119 0.061 58 H ILE 9 H ILE 9 5.147 -14.332 3.268 59 HA ILE 9 HA ILE 9 4.802 -11.996 4.689 60 HB ILE 9 HB ILE 9 7.258 -13.596 4.709 61 HG12 ILE 9 HG12 ILE 9 5.435 -15.023 5.136 62 HG13 ILE 9 HG13 ILE 9 6.380 -14.892 6.461 63 HG21 ILE 9 HG21 ILE 9 7.609 -12.738 6.962 64 HG22 ILE 9 HG22 ILE 9 6.265 -11.848 6.835 65 HG23 ILE 9 HG23 ILE 9 7.549 -11.510 5.911 66 HD11 ILE 9 HD11 ILE 9 4.086 -14.893 7.091 67 HD12 ILE 9 HD12 ILE 9 3.811 -13.598 6.163 68 HD13 ILE 9 HD13 ILE 9 4.747 -13.468 7.475 69 H ALA 10 H ALA 10 6.833 -12.786 2.019 70 HA ALA 10 HA ALA 10 8.563 -10.611 2.139 71 HB1 ALA 10 HB1 ALA 10 9.011 -12.492 0.690 72 HB2 ALA 10 HB2 ALA 10 9.060 -11.131 -0.183 73 HB3 ALA 10 HB3 ALA 10 7.756 -12.085 -0.246 74 H GLU 11 H GLU 11 5.480 -10.986 0.526 75 HA GLU 11 HA GLU 11 5.409 -8.427 -0.575 76 HB2 GLU 11 HB2 GLU 11 4.042 -10.242 -1.348 77 HB3 GLU 11 HB3 GLU 11 3.190 -10.178 0.046 78 HG2 GLU 11 HG2 GLU 11 2.320 -8.070 -0.551 79 HG3 GLU 11 HG3 GLU 11 3.230 -8.054 -1.907 80 H PHE 12 H PHE 12 4.152 -9.746 2.383 81 HA PHE 12 HA PHE 12 2.770 -7.533 3.239 82 HB2 PHE 12 HB2 PHE 12 2.691 -9.783 4.233 83 HB3 PHE 12 HB3 PHE 12 4.088 -9.426 4.999 84 HD1 PHE 12 HD1 PHE 12 0.581 -8.693 4.888 85 HD2 PHE 12 HD2 PHE 12 4.120 -7.979 6.963 86 HE1 PHE 12 HE1 PHE 12 -0.686 -7.786 6.722 87 HE2 PHE 12 HE2 PHE 12 2.850 -7.063 8.798 88 HZ PHE 12 HZ PHE 12 0.444 -6.964 8.678 89 H LYS 13 H LYS 13 6.102 -8.409 3.670 90 HA LYS 13 HA LYS 13 6.818 -6.345 5.328 91 HB2 LYS 13 HB2 LYS 13 8.296 -8.185 5.008 92 HB3 LYS 13 HB3 LYS 13 8.507 -7.771 3.441 93 HG2 LYS 13 HG2 LYS 13 9.660 -5.818 4.081 94 HG3 LYS 13 HG3 LYS 13 9.387 -6.151 5.657 95 HD2 LYS 13 HD2 LYS 13 10.760 -8.060 5.523 96 HD3 LYS 13 HD3 LYS 13 10.977 -7.817 3.923 97 HE2 LYS 13 HE2 LYS 13 11.872 -5.949 5.945 98 HE3 LYS 13 HE3 LYS 13 12.862 -7.036 5.231 99 HZ1 LYS 13 HZ1 LYS 13 13.112 -4.905 4.204 100 HZ2 LYS 13 HZ2 LYS 13 11.537 -4.883 3.838 101 HZ3 LYS 13 HZ3 LYS 13 12.516 -5.958 3.131 102 H GLU 14 H GLU 14 6.886 -6.518 1.826 103 HA GLU 14 HA GLU 14 8.030 -4.022 1.505 104 HB2 GLU 14 HB2 GLU 14 6.493 -5.649 -0.337 105 HB3 GLU 14 HB3 GLU 14 7.017 -4.179 -0.820 106 HG2 GLU 14 HG2 GLU 14 8.927 -6.070 0.135 107 HG3 GLU 14 HG3 GLU 14 8.382 -6.202 -1.400 108 H ALA 15 H ALA 15 4.684 -4.931 1.795 109 HA ALA 15 HA ALA 15 3.695 -2.438 1.098 110 HB1 ALA 15 HB1 ALA 15 2.261 -4.394 1.123 111 HB2 ALA 15 HB2 ALA 15 1.587 -3.235 2.026 112 HB3 ALA 15 HB3 ALA 15 2.368 -4.461 2.735 113 H PHE 16 H PHE 16 4.522 -3.802 4.205 114 HA PHE 16 HA PHE 16 3.607 -1.582 5.705 115 HB2 PHE 16 HB2 PHE 16 3.969 -3.903 6.531 116 HB3 PHE 16 HB3 PHE 16 5.551 -3.506 6.639 117 HD1 PHE 16 HD1 PHE 16 6.384 -2.126 8.413 118 HD2 PHE 16 HD2 PHE 16 2.307 -2.892 8.091 119 HE1 PHE 16 HE1 PHE 16 6.050 -1.222 10.620 120 HE2 PHE 16 HE2 PHE 16 1.958 -1.988 10.307 121 HZ PHE 16 HZ PHE 16 3.838 -1.141 11.574 122 H SER 17 H SER 17 6.656 -2.553 4.393 123 HA SER 17 HA SER 17 8.239 -0.687 5.571 124 HB2 SER 17 HB2 SER 17 9.137 -2.545 4.227 125 HB3 SER 17 HB3 SER 17 8.631 -1.788 2.870 126 HG SER 17 HG SER 17 10.628 -0.994 4.586 127 H LEU 18 H LEU 18 6.209 -0.200 2.845 128 HA LEU 18 HA LEU 18 7.456 2.222 2.125 129 HB2 LEU 18 HB2 LEU 18 6.124 2.286 0.362 130 HB3 LEU 18 HB3 LEU 18 6.059 0.690 0.704 131 HG LEU 18 HG LEU 18 3.915 1.473 1.900 132 HD11 LEU 18 HD11 LEU 18 2.792 3.109 0.481 133 HD12 LEU 18 HD12 LEU 18 4.136 3.262 -0.406 134 HD13 LEU 18 HD13 LEU 18 4.119 3.771 1.128 135 HD21 LEU 18 HD21 LEU 18 2.722 0.621 -0.026 136 HD22 LEU 18 HD22 LEU 18 3.999 -0.319 0.291 137 HD23 LEU 18 HD23 LEU 18 4.065 0.753 -0.917 138 H PHE 19 H PHE 19 5.152 1.398 4.420 139 HA PHE 19 HA PHE 19 4.355 4.126 4.673 140 HB2 PHE 19 HB2 PHE 19 3.060 1.674 5.560 141 HB3 PHE 19 HB3 PHE 19 2.571 3.092 6.207 142 HD1 PHE 19 HD1 PHE 19 1.726 4.914 4.570 143 HD2 PHE 19 HD2 PHE 19 2.045 0.891 3.583 144 HE1 PHE 19 HE1 PHE 19 0.231 5.260 2.701 145 HE2 PHE 19 HE2 PHE 19 0.563 1.235 1.682 146 HZ PHE 19 HZ PHE 19 -0.324 3.428 1.245 147 H ASP 20 H ASP 20 6.144 1.788 6.377 148 HA ASP 20 HA ASP 20 6.018 3.260 8.797 149 HB2 ASP 20 HB2 ASP 20 7.192 1.516 9.852 150 HB3 ASP 20 HB3 ASP 20 6.071 0.835 8.879 151 H LYS 21 H LYS 21 7.083 4.697 6.763 152 HA LYS 21 HA LYS 21 9.840 4.858 6.846 153 HB2 LYS 21 HB2 LYS 21 8.209 5.833 5.175 154 HB3 LYS 21 HB3 LYS 21 8.088 7.098 6.202 155 HG2 LYS 21 HG2 LYS 21 10.405 7.545 5.872 156 HG3 LYS 21 HG3 LYS 21 10.460 6.331 4.780 157 HD2 LYS 21 HD2 LYS 21 8.904 7.470 3.440 158 HD3 LYS 21 HD3 LYS 21 8.854 8.684 4.532 159 HE2 LYS 21 HE2 LYS 21 11.179 9.110 4.155 160 HE3 LYS 21 HE3 LYS 21 11.219 7.906 3.054 161 HZ1 LYS 21 HZ1 LYS 21 10.968 10.001 1.965 162 HZ2 LYS 21 HZ2 LYS 21 9.616 10.285 2.806 163 HZ3 LYS 21 HZ3 LYS 21 9.654 9.092 1.714 164 H ASP 22 H ASP 22 7.988 5.410 9.339 165 HA ASP 22 HA ASP 22 8.997 7.804 10.361 166 HB2 ASP 22 HB2 ASP 22 7.495 7.478 11.940 167 HB3 ASP 22 HB3 ASP 22 7.008 6.221 11.018 168 H GLY 23 H GLY 23 10.254 4.667 10.294 169 HA2 GLY 23 HA2 GLY 23 12.617 4.621 10.373 170 HA3 GLY 23 HA3 GLY 23 12.602 5.699 11.600 171 H ASP 24 H ASP 24 10.479 4.005 13.036 172 HA ASP 24 HA ASP 24 12.284 1.871 13.778 173 HB2 ASP 24 HB2 ASP 24 11.808 2.092 16.080 174 HB3 ASP 24 HB3 ASP 24 12.366 3.516 15.508 175 H GLY 25 H GLY 25 9.662 2.256 12.208 176 HA2 GLY 25 HA2 GLY 25 8.600 0.309 11.466 177 HA3 GLY 25 HA3 GLY 25 8.811 -0.395 12.924 178 H THR 26 H THR 26 7.496 2.754 12.757 179 HA THR 26 HA THR 26 4.965 1.622 13.547 180 HB THR 26 HB THR 26 5.683 4.327 14.272 181 HG1 THR 26 HG1 THR 26 6.263 2.719 16.260 182 HG21 THR 26 HG21 THR 26 4.306 3.844 16.180 183 HG22 THR 26 HG22 THR 26 4.150 2.311 15.693 184 HG23 THR 26 HG23 THR 26 3.468 3.504 14.839 185 H ILE 27 H ILE 27 3.020 2.340 12.692 186 HA ILE 27 HA ILE 27 3.261 4.267 10.559 187 HB ILE 27 HB ILE 27 1.480 3.138 9.357 188 HG12 ILE 27 HG12 ILE 27 1.528 1.121 11.390 189 HG13 ILE 27 HG13 ILE 27 0.372 2.270 11.290 190 HG21 ILE 27 HG21 ILE 27 2.729 1.172 8.710 191 HG22 ILE 27 HG22 ILE 27 3.660 1.323 10.024 192 HG23 ILE 27 HG23 ILE 27 3.733 2.432 8.850 193 HD11 ILE 27 HD11 ILE 27 -0.435 0.214 10.330 194 HD12 ILE 27 HD12 ILE 27 0.793 0.209 9.278 195 HD13 ILE 27 HD13 ILE 27 -0.351 1.346 9.179 196 H THR 28 H THR 28 1.288 5.682 10.192 197 HA THR 28 HA THR 28 0.145 6.246 12.726 198 HB THR 28 HB THR 28 -0.827 8.217 11.718 199 HG1 THR 28 HG1 THR 28 0.161 7.800 9.257 200 HG21 THR 28 HG21 THR 28 1.123 9.324 10.907 201 HG22 THR 28 HG22 THR 28 1.876 7.903 10.734 202 HG23 THR 28 HG23 THR 28 1.513 8.452 12.211 203 H THR 29 H THR 29 -2.134 6.285 13.248 204 HA THR 29 HA THR 29 -3.535 4.277 12.001 205 HB THR 29 HB THR 29 -4.108 4.799 14.280 206 HG1 THR 29 HG1 THR 29 -6.503 5.435 13.336 207 HG21 THR 29 HG21 THR 29 -5.299 6.780 14.857 208 HG22 THR 29 HG22 THR 29 -5.243 7.287 13.322 209 HG23 THR 29 HG23 THR 29 -3.885 7.202 14.197 210 H LYS 30 H LYS 30 -3.221 7.519 11.053 211 HA LYS 30 HA LYS 30 -5.681 7.620 9.699 212 HB2 LYS 30 HB2 LYS 30 -3.388 9.371 9.378 213 HB3 LYS 30 HB3 LYS 30 -4.842 9.676 8.699 214 HG2 LYS 30 HG2 LYS 30 -5.747 9.706 10.969 215 HG3 LYS 30 HG3 LYS 30 -4.200 9.731 11.491 216 HD2 LYS 30 HD2 LYS 30 -3.870 11.761 10.241 217 HD3 LYS 30 HD3 LYS 30 -5.462 11.757 9.884 218 HE2 LYS 30 HE2 LYS 30 -5.922 11.839 12.267 219 HE3 LYS 30 HE3 LYS 30 -4.322 12.044 12.518 220 HZ1 LYS 30 HZ1 LYS 30 -5.432 14.134 12.581 221 HZ2 LYS 30 HZ2 LYS 30 -5.992 13.897 11.082 222 HZ3 LYS 30 HZ3 LYS 30 -4.407 14.099 11.331 223 H GLU 31 H GLU 31 -2.580 6.480 8.907 224 HA GLU 31 HA GLU 31 -3.293 6.224 6.148 225 HB2 GLU 31 HB2 GLU 31 -0.887 6.596 7.401 226 HB3 GLU 31 HB3 GLU 31 -0.795 5.220 6.526 227 HG2 GLU 31 HG2 GLU 31 -1.338 6.365 4.553 228 HG3 GLU 31 HG3 GLU 31 -1.663 7.732 5.385 229 H LEU 32 H LEU 32 -3.822 4.573 8.834 230 HA LEU 32 HA LEU 32 -3.103 1.935 8.354 231 HB2 LEU 32 HB2 LEU 32 -4.016 2.950 10.388 232 HB3 LEU 32 HB3 LEU 32 -5.492 2.822 9.699 233 HG LEU 32 HG LEU 32 -4.939 1.277 11.491 234 HD11 LEU 32 HD11 LEU 32 -6.209 -0.495 10.532 235 HD12 LEU 32 HD12 LEU 32 -6.021 0.166 9.068 236 HD13 LEU 32 HD13 LEU 32 -6.879 0.939 10.199 237 HD21 LEU 32 HD21 LEU 32 -3.794 -0.718 10.883 238 HD22 LEU 32 HD22 LEU 32 -2.809 0.561 10.789 239 HD23 LEU 32 HD23 LEU 32 -3.440 -0.075 9.443 240 H GLY 33 H GLY 33 -5.885 3.681 7.249 241 HA2 GLY 33 HA2 GLY 33 -7.119 1.470 6.051 242 HA3 GLY 33 HA3 GLY 33 -7.465 3.038 5.751 243 H THR 34 H THR 34 -4.531 3.456 5.104 244 HA THR 34 HA THR 34 -4.912 3.030 2.359 245 HB THR 34 HB THR 34 -2.447 4.123 3.492 246 HG1 THR 34 HG1 THR 34 -4.383 5.092 4.413 247 HG21 THR 34 HG21 THR 34 -2.428 5.474 1.511 248 HG22 THR 34 HG22 THR 34 -3.850 4.853 1.054 249 HG23 THR 34 HG23 THR 34 -2.529 3.921 1.071 250 H VAL 35 H VAL 35 -2.702 1.758 4.736 251 HA VAL 35 HA VAL 35 -1.202 0.347 2.907 252 HB VAL 35 HB VAL 35 -0.406 0.696 5.177 253 HG11 VAL 35 HG11 VAL 35 -1.089 -0.684 6.966 254 HG12 VAL 35 HG12 VAL 35 -2.236 -1.339 6.033 255 HG13 VAL 35 HG13 VAL 35 -2.317 0.225 6.438 256 HG21 VAL 35 HG21 VAL 35 0.747 -1.406 5.432 257 HG22 VAL 35 HG22 VAL 35 0.766 -0.946 3.882 258 HG23 VAL 35 HG23 VAL 35 -0.263 -2.092 4.373 259 H MET 36 H MET 36 -4.140 -0.563 4.588 260 HA MET 36 HA MET 36 -4.054 -3.155 3.528 261 HB2 MET 36 HB2 MET 36 -6.280 -3.425 4.386 262 HB3 MET 36 HB3 MET 36 -5.339 -2.701 5.508 263 HG2 MET 36 HG2 MET 36 -6.254 -0.677 5.036 264 HG3 MET 36 HG3 MET 36 -7.113 -1.318 3.803 265 HE1 MET 36 HE1 MET 36 -7.876 -2.186 8.182 266 HE2 MET 36 HE2 MET 36 -6.819 -1.084 7.648 267 HE3 MET 36 HE3 MET 36 -6.535 -2.658 7.411 268 H ARG 37 H ARG 37 -5.246 -0.188 2.279 269 HA ARG 37 HA ARG 37 -6.783 -1.369 0.270 270 HB2 ARG 37 HB2 ARG 37 -6.930 0.999 1.050 271 HB3 ARG 37 HB3 ARG 37 -5.670 1.290 0.053 272 HG2 ARG 37 HG2 ARG 37 -6.966 0.617 -1.807 273 HG3 ARG 37 HG3 ARG 37 -8.222 0.276 -0.821 274 HD2 ARG 37 HD2 ARG 37 -8.190 2.625 -0.170 275 HD3 ARG 37 HD3 ARG 37 -7.161 2.870 -1.414 276 HE ARG 37 HE ARG 37 -9.471 1.594 -2.341 277 HH11 ARG 37 HH11 ARG 37 -8.293 4.774 -1.415 278 HH12 ARG 37 HH12 ARG 37 -9.504 5.595 -2.342 279 HH21 ARG 37 HH21 ARG 37 -11.003 2.706 -3.498 280 HH22 ARG 37 HH22 ARG 37 -11.018 4.437 -3.507 281 H SER 38 H SER 38 -3.476 -0.367 0.530 282 HA SER 38 HA SER 38 -2.839 -0.704 -2.151 283 HB2 SER 38 HB2 SER 38 -0.583 -0.535 -1.533 284 HB3 SER 38 HB3 SER 38 -1.406 0.458 -0.532 285 HG SER 38 HG SER 38 -1.395 -1.439 0.914 286 H LEU 39 H LEU 39 -3.035 -2.892 0.477 287 HA LEU 39 HA LEU 39 -1.991 -5.094 -0.917 288 HB2 LEU 39 HB2 LEU 39 -3.335 -4.805 1.636 289 HB3 LEU 39 HB3 LEU 39 -2.948 -6.297 1.096 290 HG LEU 39 HG LEU 39 -0.908 -4.316 1.535 291 HD11 LEU 39 HD11 LEU 39 -0.533 -5.244 3.701 292 HD12 LEU 39 HD12 LEU 39 -1.825 -6.200 3.523 293 HD13 LEU 39 HD13 LEU 39 -2.012 -4.597 3.624 294 HD21 LEU 39 HD21 LEU 39 0.528 -6.283 1.631 295 HD22 LEU 39 HD22 LEU 39 -0.271 -6.274 0.225 296 HD23 LEU 39 HD23 LEU 39 -0.760 -7.239 1.427 297 H GLY 40 H GLY 40 -4.843 -3.571 -1.257 298 HA2 GLY 40 HA2 GLY 40 -6.551 -4.252 -2.602 299 HA3 GLY 40 HA3 GLY 40 -5.947 -5.768 -2.659 300 H GLN 41 H GLN 41 -6.662 -4.243 0.341 301 HA GLN 41 HA GLN 41 -8.980 -5.970 0.655 302 HB2 GLN 41 HB2 GLN 41 -6.997 -6.597 1.982 303 HB3 GLN 41 HB3 GLN 41 -7.222 -5.218 2.825 304 HG2 GLN 41 HG2 GLN 41 -9.286 -6.020 3.601 305 HG3 GLN 41 HG3 GLN 41 -9.080 -7.394 2.743 306 HE21 GLN 41 HE21 GLN 41 -8.795 -6.050 5.708 307 HE22 GLN 41 HE22 GLN 41 -7.676 -7.167 6.415 308 H ASN 42 H ASN 42 -10.901 -5.124 1.174 309 HA ASN 42 HA ASN 42 -10.882 -2.449 2.202 310 HB2 ASN 42 HB2 ASN 42 -12.680 -3.339 0.072 311 HB3 ASN 42 HB3 ASN 42 -12.742 -1.844 0.726 312 HD21 ASN 42 HD21 ASN 42 -11.379 -3.794 -1.599 313 HD22 ASN 42 HD22 ASN 42 -10.303 -2.622 -2.281 314 HA PRO 43 HA PRO 43 -13.906 -4.905 4.562 315 HB2 PRO 43 HB2 PRO 43 -13.067 -4.486 7.056 316 HB3 PRO 43 HB3 PRO 43 -12.207 -5.537 6.148 317 HG2 PRO 43 HG2 PRO 43 -11.695 -2.798 6.610 318 HG3 PRO 43 HG3 PRO 43 -10.660 -4.054 6.742 319 HD2 PRO 43 HD2 PRO 43 -10.682 -2.575 4.575 320 HD3 PRO 43 HD3 PRO 43 -10.328 -4.167 4.482 321 H THR 44 H THR 44 -15.406 -4.353 6.446 322 HA THR 44 HA THR 44 -16.714 -2.054 5.652 323 HB THR 44 HB THR 44 -17.580 -2.715 8.202 324 HG1 THR 44 HG1 THR 44 -17.816 -5.080 7.221 325 HG21 THR 44 HG21 THR 44 -19.517 -3.553 7.069 326 HG22 THR 44 HG22 THR 44 -18.716 -3.560 5.664 327 HG23 THR 44 HG23 THR 44 -19.082 -2.157 6.380 328 H GLU 45 H GLU 45 -17.101 -0.023 6.663 329 HA GLU 45 HA GLU 45 -14.855 1.132 7.841 330 HB2 GLU 45 HB2 GLU 45 -16.548 2.305 6.606 331 HB3 GLU 45 HB3 GLU 45 -17.542 2.150 7.892 332 HG2 GLU 45 HG2 GLU 45 -15.108 3.406 8.507 333 HG3 GLU 45 HG3 GLU 45 -16.031 4.255 7.462 334 H ALA 46 H ALA 46 -17.621 -0.425 9.164 335 HA ALA 46 HA ALA 46 -17.267 0.357 11.774 336 HB1 ALA 46 HB1 ALA 46 -19.329 -0.759 11.059 337 HB2 ALA 46 HB2 ALA 46 -18.728 -1.561 12.327 338 HB3 ALA 46 HB3 ALA 46 -18.515 -2.138 10.831 339 H GLU 47 H GLU 47 -15.952 -2.347 10.003 340 HA GLU 47 HA GLU 47 -14.629 -3.515 12.197 341 HB2 GLU 47 HB2 GLU 47 -15.112 -4.650 10.090 342 HB3 GLU 47 HB3 GLU 47 -13.851 -3.840 9.444 343 HG2 GLU 47 HG2 GLU 47 -12.452 -4.933 11.158 344 HG3 GLU 47 HG3 GLU 47 -13.730 -5.911 11.440 345 H LEU 48 H LEU 48 -13.720 -1.238 9.729 346 HA LEU 48 HA LEU 48 -11.064 -1.059 10.306 347 HB2 LEU 48 HB2 LEU 48 -12.064 -0.024 8.368 348 HB3 LEU 48 HB3 LEU 48 -12.828 1.050 9.332 349 HG LEU 48 HG LEU 48 -10.705 2.035 9.833 350 HD11 LEU 48 HD11 LEU 48 -8.797 1.498 8.494 351 HD12 LEU 48 HD12 LEU 48 -9.620 0.292 7.797 352 HD13 LEU 48 HD13 LEU 48 -9.248 0.215 9.369 353 HD21 LEU 48 HD21 LEU 48 -10.520 3.159 7.660 354 HD22 LEU 48 HD22 LEU 48 -12.080 2.986 8.050 355 HD23 LEU 48 HD23 LEU 48 -11.398 1.982 6.983 356 H GLN 49 H GLN 49 -13.677 0.846 11.631 357 HA GLN 49 HA GLN 49 -12.043 2.371 13.286 358 HB2 GLN 49 HB2 GLN 49 -14.327 2.968 12.688 359 HB3 GLN 49 HB3 GLN 49 -14.866 1.778 13.669 360 HG2 GLN 49 HG2 GLN 49 -15.143 3.790 14.812 361 HG3 GLN 49 HG3 GLN 49 -13.926 2.987 15.547 362 HE21 GLN 49 HE21 GLN 49 -14.552 5.414 13.151 363 HE22 GLN 49 HE22 GLN 49 -13.144 6.366 13.480 364 H ASP 50 H ASP 50 -13.699 -0.636 13.812 365 HA ASP 50 HA ASP 50 -13.249 -0.729 16.554 366 HB2 ASP 50 HB2 ASP 50 -14.917 -2.061 15.350 367 HB3 ASP 50 HB3 ASP 50 -13.700 -3.018 14.829 368 H MET 51 H MET 51 -11.412 -2.149 13.910 369 HA MET 51 HA MET 51 -9.670 -3.457 15.615 370 HB2 MET 51 HB2 MET 51 -8.317 -3.926 13.742 371 HB3 MET 51 HB3 MET 51 -9.871 -4.012 13.245 372 HG2 MET 51 HG2 MET 51 -9.725 -1.971 12.242 373 HG3 MET 51 HG3 MET 51 -8.234 -1.729 12.861 374 HE1 MET 51 HE1 MET 51 -9.303 -4.205 9.218 375 HE2 MET 51 HE2 MET 51 -10.129 -2.948 9.813 376 HE3 MET 51 HE3 MET 51 -10.127 -4.361 10.600 377 H ILE 52 H ILE 52 -9.811 -0.219 14.567 378 HA ILE 52 HA ILE 52 -7.177 0.423 15.277 379 HB ILE 52 HB ILE 52 -9.451 2.119 14.652 380 HG12 ILE 52 HG12 ILE 52 -6.969 1.961 13.204 381 HG13 ILE 52 HG13 ILE 52 -8.220 0.964 12.877 382 HG21 ILE 52 HG21 ILE 52 -8.025 4.110 14.828 383 HG22 ILE 52 HG22 ILE 52 -6.810 3.196 15.380 384 HG23 ILE 52 HG23 ILE 52 -8.141 3.401 16.276 385 HD11 ILE 52 HD11 ILE 52 -8.207 2.796 11.317 386 HD12 ILE 52 HD12 ILE 52 -8.312 3.852 12.537 387 HD13 ILE 52 HD13 ILE 52 -9.551 2.864 12.213 388 H ASN 53 H ASN 53 -10.295 0.783 16.875 389 HA ASN 53 HA ASN 53 -9.109 2.157 18.974 390 HB2 ASN 53 HB2 ASN 53 -11.246 2.264 20.006 391 HB3 ASN 53 HB3 ASN 53 -11.413 2.554 18.407 392 HD21 ASN 53 HD21 ASN 53 -13.316 1.909 17.817 393 HD22 ASN 53 HD22 ASN 53 -13.984 0.359 18.205 394 H GLU 54 H GLU 54 -9.279 -1.107 18.422 395 HA GLU 54 HA GLU 54 -9.231 -1.866 21.111 396 HB2 GLU 54 HB2 GLU 54 -9.879 -3.359 19.262 397 HB3 GLU 54 HB3 GLU 54 -8.293 -3.490 18.896 398 HG2 GLU 54 HG2 GLU 54 -7.877 -4.565 20.951 399 HG3 GLU 54 HG3 GLU 54 -9.439 -4.371 21.389 400 H VAL 55 H VAL 55 -6.783 -1.353 18.695 401 HA VAL 55 HA VAL 55 -4.756 -2.038 20.562 402 HB VAL 55 HB VAL 55 -3.191 -1.891 18.676 403 HG11 VAL 55 HG11 VAL 55 -4.089 -3.710 17.381 404 HG12 VAL 55 HG12 VAL 55 -5.547 -3.457 18.035 405 HG13 VAL 55 HG13 VAL 55 -4.326 -3.980 18.958 406 HG21 VAL 55 HG21 VAL 55 -3.984 -1.369 16.461 407 HG22 VAL 55 HG22 VAL 55 -4.195 -0.095 17.434 408 HG23 VAL 55 HG23 VAL 55 -5.452 -1.039 17.056 409 H ASP 56 H ASP 56 -5.985 0.851 19.162 410 HA ASP 56 HA ASP 56 -3.795 2.425 20.148 411 HB2 ASP 56 HB2 ASP 56 -4.957 2.971 18.055 412 HB3 ASP 56 HB3 ASP 56 -6.217 3.471 18.966 413 H ALA 57 H ALA 57 -4.597 1.172 22.232 414 HA ALA 57 HA ALA 57 -6.752 2.192 23.582 415 HB1 ALA 57 HB1 ALA 57 -5.674 0.071 24.197 416 HB2 ALA 57 HB2 ALA 57 -5.811 0.992 25.519 417 HB3 ALA 57 HB3 ALA 57 -4.392 0.883 24.752 418 H ASP 58 H ASP 58 -3.486 3.277 23.560 419 HA ASP 58 HA ASP 58 -3.941 5.160 25.639 420 HB2 ASP 58 HB2 ASP 58 -1.592 4.463 24.136 421 HB3 ASP 58 HB3 ASP 58 -1.574 5.834 25.022 422 H GLY 59 H GLY 59 -4.640 5.142 22.462 423 HA2 GLY 59 HA2 GLY 59 -5.331 6.771 21.075 424 HA3 GLY 59 HA3 GLY 59 -5.404 7.791 22.349 425 H ASN 60 H ASN 60 -2.440 6.334 21.349 426 HA ASN 60 HA ASN 60 -1.359 8.927 21.039 427 HB2 ASN 60 HB2 ASN 60 0.776 7.911 20.951 428 HB3 ASN 60 HB3 ASN 60 -0.075 7.294 22.201 429 HD21 ASN 60 HD21 ASN 60 1.646 5.636 22.025 430 HD22 ASN 60 HD22 ASN 60 1.355 4.321 20.938 431 H GLY 61 H GLY 61 -2.807 6.830 18.980 432 HA2 GLY 61 HA2 GLY 61 -3.312 7.247 16.825 433 HA3 GLY 61 HA3 GLY 61 -2.325 8.548 16.813 434 H THR 62 H THR 62 -0.752 5.798 17.795 435 HA THR 62 HA THR 62 0.335 5.372 15.152 436 HB THR 62 HB THR 62 2.409 4.701 16.655 437 HG1 THR 62 HG1 THR 62 1.614 5.164 18.604 438 HG21 THR 62 HG21 THR 62 3.351 6.859 16.232 439 HG22 THR 62 HG22 THR 62 1.880 7.459 15.924 440 HG23 THR 62 HG23 THR 62 2.542 6.380 14.916 441 H ILE 63 H ILE 63 0.984 3.246 14.585 442 HA ILE 63 HA ILE 63 -0.006 1.244 16.416 443 HB ILE 63 HB ILE 63 -0.603 1.305 13.560 444 HG12 ILE 63 HG12 ILE 63 -2.447 1.277 15.809 445 HG13 ILE 63 HG13 ILE 63 -2.029 2.649 15.028 446 HG21 ILE 63 HG21 ILE 63 -1.743 -0.827 13.831 447 HG22 ILE 63 HG22 ILE 63 -1.268 -0.893 15.376 448 HG23 ILE 63 HG23 ILE 63 -0.176 -1.005 14.189 449 HD11 ILE 63 HD11 ILE 63 -4.181 1.925 14.312 450 HD12 ILE 63 HD12 ILE 63 -3.566 0.506 13.840 451 HD13 ILE 63 HD13 ILE 63 -3.151 1.865 13.067 452 H ASP 64 H ASP 64 1.468 -0.227 16.908 453 HA ASP 64 HA ASP 64 3.914 -0.253 15.552 454 HB2 ASP 64 HB2 ASP 64 2.955 -1.913 17.749 455 HB3 ASP 64 HB3 ASP 64 4.519 -1.878 17.281 456 H PHE 65 H PHE 65 5.042 -2.139 14.632 457 HA PHE 65 HA PHE 65 3.558 -3.308 12.764 458 HB2 PHE 65 HB2 PHE 65 5.943 -3.326 12.549 459 HB3 PHE 65 HB3 PHE 65 6.087 -4.321 13.836 460 HD1 PHE 65 HD1 PHE 65 6.206 -6.656 13.538 461 HD2 PHE 65 HD2 PHE 65 4.828 -4.243 10.451 462 HE1 PHE 65 HE1 PHE 65 6.205 -8.568 12.056 463 HE2 PHE 65 HE2 PHE 65 4.834 -6.130 8.951 464 HZ PHE 65 HZ PHE 65 5.494 -8.307 9.759 465 HA PRO 66 HA PRO 66 2.977 -7.333 14.720 466 HB2 PRO 66 HB2 PRO 66 2.969 -7.676 17.403 467 HB3 PRO 66 HB3 PRO 66 4.362 -7.881 16.575 468 HG2 PRO 66 HG2 PRO 66 3.480 -5.564 17.969 469 HG3 PRO 66 HG3 PRO 66 4.950 -6.272 18.028 470 HD2 PRO 66 HD2 PRO 66 4.594 -4.182 16.514 471 HD3 PRO 66 HD3 PRO 66 5.587 -5.375 16.010 472 H GLU 67 H GLU 67 1.706 -4.573 16.307 473 HA GLU 67 HA GLU 67 -0.703 -5.712 17.069 474 HB2 GLU 67 HB2 GLU 67 -0.264 -2.965 16.281 475 HB3 GLU 67 HB3 GLU 67 -1.551 -3.482 17.143 476 HG2 GLU 67 HG2 GLU 67 1.172 -3.452 18.104 477 HG3 GLU 67 HG3 GLU 67 -0.000 -2.418 18.579 478 H PHE 68 H PHE 68 0.110 -3.913 14.157 479 HA PHE 68 HA PHE 68 -2.268 -4.242 12.849 480 HB2 PHE 68 HB2 PHE 68 -0.619 -2.728 12.006 481 HB3 PHE 68 HB3 PHE 68 0.387 -3.971 11.672 482 HD1 PHE 68 HD1 PHE 68 -2.975 -2.858 10.730 483 HD2 PHE 68 HD2 PHE 68 0.556 -4.690 9.464 484 HE1 PHE 68 HE1 PHE 68 -3.852 -3.001 8.474 485 HE2 PHE 68 HE2 PHE 68 -0.317 -4.815 7.216 486 HZ PHE 68 HZ PHE 68 -2.508 -3.966 6.732 487 H LEU 69 H LEU 69 0.465 -6.373 12.905 488 HA LEU 69 HA LEU 69 -0.526 -8.175 11.021 489 HB2 LEU 69 HB2 LEU 69 1.785 -8.042 11.716 490 HB3 LEU 69 HB3 LEU 69 1.362 -8.708 13.146 491 HG LEU 69 HG LEU 69 0.884 -10.747 12.050 492 HD11 LEU 69 HD11 LEU 69 1.451 -11.120 9.773 493 HD12 LEU 69 HD12 LEU 69 1.795 -9.551 9.592 494 HD13 LEU 69 HD13 LEU 69 0.274 -10.017 9.887 495 HD21 LEU 69 HD21 LEU 69 3.235 -11.278 11.561 496 HD22 LEU 69 HD22 LEU 69 3.153 -10.356 12.886 497 HD23 LEU 69 HD23 LEU 69 3.564 -9.698 11.468 498 H THR 70 H THR 70 -0.894 -8.050 14.494 499 HA THR 70 HA THR 70 -2.227 -10.425 14.808 500 HB THR 70 HB THR 70 -2.612 -8.002 16.410 501 HG1 THR 70 HG1 THR 70 -1.230 -9.478 17.837 502 HG21 THR 70 HG21 THR 70 -3.426 -9.456 18.161 503 HG22 THR 70 HG22 THR 70 -3.247 -10.742 17.195 504 HG23 THR 70 HG23 THR 70 -4.378 -9.634 16.866 505 H MET 71 H MET 71 -3.502 -7.235 14.131 506 HA MET 71 HA MET 71 -6.158 -7.961 14.126 507 HB2 MET 71 HB2 MET 71 -4.851 -5.748 12.752 508 HB3 MET 71 HB3 MET 71 -6.475 -5.848 12.885 509 HG2 MET 71 HG2 MET 71 -6.480 -5.052 14.855 510 HG3 MET 71 HG3 MET 71 -5.262 -6.030 15.331 511 HE1 MET 71 HE1 MET 71 -4.635 -1.933 13.466 512 HE2 MET 71 HE2 MET 71 -6.080 -2.487 13.936 513 HE3 MET 71 HE3 MET 71 -5.344 -3.136 12.650 514 H MET 72 H MET 72 -3.810 -8.084 11.615 515 HA MET 72 HA MET 72 -5.628 -8.610 9.546 516 HB2 MET 72 HB2 MET 72 -3.337 -7.818 9.273 517 HB3 MET 72 HB3 MET 72 -2.849 -9.353 9.546 518 HG2 MET 72 HG2 MET 72 -2.895 -8.867 7.269 519 HG3 MET 72 HG3 MET 72 -3.898 -10.095 7.658 520 HE1 MET 72 HE1 MET 72 -5.074 -5.956 6.246 521 HE2 MET 72 HE2 MET 72 -3.633 -6.660 6.044 522 HE3 MET 72 HE3 MET 72 -4.096 -6.175 7.515 523 H ALA 73 H ALA 73 -4.169 -10.613 11.915 524 HA ALA 73 HA ALA 73 -4.958 -13.014 10.629 525 HB1 ALA 73 HB1 ALA 73 -3.027 -13.049 12.063 526 HB2 ALA 73 HB2 ALA 73 -4.126 -14.084 12.644 527 HB3 ALA 73 HB3 ALA 73 -3.942 -12.630 13.330 528 H ARG 74 H ARG 74 -6.078 -11.038 13.274 529 HA ARG 74 HA ARG 74 -8.019 -12.739 14.150 530 HB2 ARG 74 HB2 ARG 74 -7.498 -9.921 14.512 531 HB3 ARG 74 HB3 ARG 74 -8.982 -10.404 14.992 532 HG2 ARG 74 HG2 ARG 74 -6.550 -11.486 16.085 533 HG3 ARG 74 HG3 ARG 74 -7.402 -10.291 16.801 534 HD2 ARG 74 HD2 ARG 74 -9.314 -11.888 16.766 535 HD3 ARG 74 HD3 ARG 74 -8.186 -13.036 16.485 536 HE ARG 74 HE ARG 74 -7.401 -11.563 18.702 537 HH11 ARG 74 HH11 ARG 74 -9.763 -14.026 17.808 538 HH12 ARG 74 HH12 ARG 74 -9.909 -14.604 19.434 539 HH21 ARG 74 HH21 ARG 74 -7.641 -12.372 20.761 540 HH22 ARG 74 HH22 ARG 74 -8.729 -13.683 21.072 541 H LYS 75 H LYS 75 -8.366 -10.582 11.513 542 HA LYS 75 HA LYS 75 -11.157 -10.620 11.699 543 HB2 LYS 75 HB2 LYS 75 -11.171 -9.020 10.140 544 HB3 LYS 75 HB3 LYS 75 -9.583 -8.943 10.511 545 HG2 LYS 75 HG2 LYS 75 -10.621 -10.330 8.211 546 HG3 LYS 75 HG3 LYS 75 -9.962 -8.836 8.160 547 HD2 LYS 75 HD2 LYS 75 -7.887 -9.739 8.866 548 HD3 LYS 75 HD3 LYS 75 -8.550 -11.231 8.881 549 HE2 LYS 75 HE2 LYS 75 -8.999 -10.926 6.479 550 HE3 LYS 75 HE3 LYS 75 -8.040 -9.605 6.551 551 HZ1 LYS 75 HZ1 LYS 75 -6.795 -11.481 5.825 552 HZ2 LYS 75 HZ2 LYS 75 -7.180 -12.275 7.180 553 HZ3 LYS 75 HZ3 LYS 75 -6.230 -10.968 7.251 554 H MET 76 H MET 76 -9.351 -13.149 10.839 555 HA MET 76 HA MET 76 -11.049 -13.991 8.689 556 HB2 MET 76 HB2 MET 76 -9.614 -15.758 8.330 557 HB3 MET 76 HB3 MET 76 -8.644 -14.503 8.723 558 HG2 MET 76 HG2 MET 76 -8.450 -15.325 10.890 559 HG3 MET 76 HG3 MET 76 -9.432 -16.573 10.509 560 HE1 MET 76 HE1 MET 76 -7.368 -18.927 8.333 561 HE2 MET 76 HE2 MET 76 -8.659 -18.015 7.991 562 HE3 MET 76 HE3 MET 76 -8.605 -18.853 9.373 563 H LYS 77 H LYS 77 -11.954 -16.294 8.721 564 HA LYS 77 HA LYS 77 -13.295 -16.792 11.239 565 HB2 LYS 77 HB2 LYS 77 -14.413 -16.943 9.065 566 HB3 LYS 77 HB3 LYS 77 -13.597 -18.343 8.853 567 HG2 LYS 77 HG2 LYS 77 -14.995 -18.258 11.276 568 HG3 LYS 77 HG3 LYS 77 -15.977 -18.173 9.974 569 HD2 LYS 77 HD2 LYS 77 -14.069 -20.297 10.353 570 HD3 LYS 77 HD3 LYS 77 -15.641 -20.429 10.780 571 HE2 LYS 77 HE2 LYS 77 -16.213 -20.024 8.431 572 HE3 LYS 77 HE3 LYS 77 -14.623 -20.170 8.087 573 HZ1 LYS 77 HZ1 LYS 77 -15.721 -22.263 7.780 574 HZ2 LYS 77 HZ2 LYS 77 -16.214 -22.237 9.319 575 HZ3 LYS 77 HZ3 LYS 77 -14.640 -22.382 8.978 576 H ASP 78 H ASP 78 -11.611 -17.424 12.629 577 HA ASP 78 HA ASP 78 -9.765 -19.280 11.739 578 HB2 ASP 78 HB2 ASP 78 -9.810 -17.618 13.812 579 HB3 ASP 78 HB3 ASP 78 -9.990 -19.053 14.569 580 H THR 79 H THR 79 -9.169 -21.277 13.092 581 HA THR 79 HA THR 79 -11.550 -22.919 13.332 582 HB THR 79 HB THR 79 -10.078 -24.796 12.603 583 HG1 THR 79 HG1 THR 79 -8.123 -23.743 12.967 584 HG21 THR 79 HG21 THR 79 -10.269 -24.270 10.246 585 HG22 THR 79 HG22 THR 79 -10.509 -22.711 10.599 586 HG23 THR 79 HG23 THR 79 -11.630 -23.809 10.986 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 -3.700 -18.855 -2.953 2 H2 ALA 1 H2 ALA 1 -2.895 -18.880 -1.551 3 H3 ALA 1 H3 ALA 1 -2.693 -17.647 -2.577 4 HA ALA 1 HA ALA 1 -4.891 -16.957 -2.236 5 HB1 ALA 1 HB1 ALA 1 -5.917 -19.115 -1.750 6 HB2 ALA 1 HB2 ALA 1 -6.319 -18.058 -0.594 7 HB3 ALA 1 HB3 ALA 1 -5.163 -19.156 -0.320 8 H ASP 2 H ASP 2 -5.389 -15.350 -0.710 9 HA ASP 2 HA ASP 2 -3.071 -14.666 0.827 10 HB2 ASP 2 HB2 ASP 2 -5.411 -13.022 0.518 11 HB3 ASP 2 HB3 ASP 2 -3.874 -12.517 0.741 12 H GLN 3 H GLN 3 -3.854 -16.740 2.013 13 HA GLN 3 HA GLN 3 -5.740 -16.103 4.065 14 HB2 GLN 3 HB2 GLN 3 -5.619 -18.231 2.670 15 HB3 GLN 3 HB3 GLN 3 -4.499 -18.686 3.767 16 HG2 GLN 3 HG2 GLN 3 -6.086 -18.660 5.472 17 HG3 GLN 3 HG3 GLN 3 -7.211 -18.037 4.465 18 HE21 GLN 3 HE21 GLN 3 -7.866 -20.225 5.887 19 HE22 GLN 3 HE22 GLN 3 -7.950 -21.597 4.833 20 H LEU 4 H LEU 4 -3.372 -14.724 4.253 21 HA LEU 4 HA LEU 4 -1.672 -14.316 5.588 22 HB2 LEU 4 HB2 LEU 4 -3.545 -15.232 7.594 23 HB3 LEU 4 HB3 LEU 4 -2.168 -14.457 8.008 24 HG LEU 4 HG LEU 4 -3.339 -12.804 6.268 25 HD11 LEU 4 HD11 LEU 4 -5.566 -12.479 7.072 26 HD12 LEU 4 HD12 LEU 4 -5.415 -13.773 8.030 27 HD13 LEU 4 HD13 LEU 4 -5.414 -13.953 6.424 28 HD21 LEU 4 HD21 LEU 4 -3.605 -11.366 8.189 29 HD22 LEU 4 HD22 LEU 4 -2.162 -12.095 8.240 30 HD23 LEU 4 HD23 LEU 4 -3.372 -12.632 9.169 31 H THR 5 H THR 5 -1.082 -16.582 4.352 32 HA THR 5 HA THR 5 -0.026 -18.466 6.177 33 HB THR 5 HB THR 5 1.007 -19.387 4.093 34 HG1 THR 5 HG1 THR 5 0.290 -17.007 3.245 35 HG21 THR 5 HG21 THR 5 -1.086 -20.129 3.169 36 HG22 THR 5 HG22 THR 5 -1.871 -18.958 3.960 37 HG23 THR 5 HG23 THR 5 -1.195 -20.176 4.782 38 H GLU 6 H GLU 6 2.452 -19.019 6.031 39 HA GLU 6 HA GLU 6 3.900 -16.883 6.846 40 HB2 GLU 6 HB2 GLU 6 5.050 -19.185 5.498 41 HB3 GLU 6 HB3 GLU 6 5.845 -18.244 6.568 42 HG2 GLU 6 HG2 GLU 6 3.704 -20.046 7.212 43 HG3 GLU 6 HG3 GLU 6 5.278 -20.271 7.586 44 H GLU 7 H GLU 7 3.479 -18.055 3.658 45 HA GLU 7 HA GLU 7 5.399 -16.572 2.375 46 HB2 GLU 7 HB2 GLU 7 2.849 -17.489 1.305 47 HB3 GLU 7 HB3 GLU 7 4.125 -17.079 0.373 48 HG2 GLU 7 HG2 GLU 7 5.327 -18.937 1.141 49 HG3 GLU 7 HG3 GLU 7 4.121 -19.322 2.172 50 H GLN 8 H GLN 8 2.243 -15.720 3.368 51 HA GLN 8 HA GLN 8 2.085 -13.407 1.807 52 HB2 GLN 8 HB2 GLN 8 0.467 -14.310 4.037 53 HB3 GLN 8 HB3 GLN 8 0.106 -12.939 3.228 54 HG2 GLN 8 HG2 GLN 8 0.196 -15.489 1.920 55 HG3 GLN 8 HG3 GLN 8 -1.181 -14.895 2.565 56 HE21 GLN 8 HE21 GLN 8 0.173 -15.367 -0.240 57 HE22 GLN 8 HE22 GLN 8 -0.399 -13.983 -1.112 58 H ILE 9 H ILE 9 3.334 -14.095 4.902 59 HA ILE 9 HA ILE 9 3.193 -11.545 5.954 60 HB ILE 9 HB ILE 9 5.159 -13.588 6.660 61 HG12 ILE 9 HG12 ILE 9 2.660 -13.042 8.003 62 HG13 ILE 9 HG13 ILE 9 2.854 -14.272 6.946 63 HG21 ILE 9 HG21 ILE 9 5.445 -12.397 8.760 64 HG22 ILE 9 HG22 ILE 9 4.422 -11.250 8.256 65 HG23 ILE 9 HG23 ILE 9 5.856 -11.431 7.529 66 HD11 ILE 9 HD11 ILE 9 2.969 -15.100 9.192 67 HD12 ILE 9 HD12 ILE 9 4.204 -14.106 9.511 68 HD13 ILE 9 HD13 ILE 9 4.396 -15.323 8.464 69 H ALA 10 H ALA 10 5.475 -13.083 3.873 70 HA ALA 10 HA ALA 10 7.434 -11.143 3.962 71 HB1 ALA 10 HB1 ALA 10 7.848 -13.316 2.979 72 HB2 ALA 10 HB2 ALA 10 8.263 -12.171 1.915 73 HB3 ALA 10 HB3 ALA 10 6.861 -12.960 1.749 74 H GLU 11 H GLU 11 4.716 -11.518 1.823 75 HA GLU 11 HA GLU 11 5.226 -9.283 0.252 76 HB2 GLU 11 HB2 GLU 11 3.694 -11.114 -0.313 77 HB3 GLU 11 HB3 GLU 11 2.626 -10.474 0.744 78 HG2 GLU 11 HG2 GLU 11 1.890 -9.766 -1.275 79 HG3 GLU 11 HG3 GLU 11 2.665 -8.466 -0.663 80 H PHE 12 H PHE 12 3.311 -9.782 3.063 81 HA PHE 12 HA PHE 12 2.086 -7.349 3.239 82 HB2 PHE 12 HB2 PHE 12 1.594 -9.307 4.611 83 HB3 PHE 12 HB3 PHE 12 2.947 -8.998 5.471 84 HD1 PHE 12 HD1 PHE 12 -0.417 -8.046 4.929 85 HD2 PHE 12 HD2 PHE 12 3.033 -7.159 7.070 86 HE1 PHE 12 HE1 PHE 12 -1.713 -6.680 6.435 87 HE2 PHE 12 HE2 PHE 12 1.765 -5.754 8.561 88 HZ PHE 12 HZ PHE 12 -0.616 -5.514 8.245 89 H LYS 13 H LYS 13 5.202 -8.325 4.379 90 HA LYS 13 HA LYS 13 5.786 -6.038 5.765 91 HB2 LYS 13 HB2 LYS 13 7.115 -8.069 5.878 92 HB3 LYS 13 HB3 LYS 13 7.735 -7.709 4.411 93 HG2 LYS 13 HG2 LYS 13 8.569 -5.636 5.445 94 HG3 LYS 13 HG3 LYS 13 8.223 -6.336 6.879 95 HD2 LYS 13 HD2 LYS 13 9.765 -8.032 6.478 96 HD3 LYS 13 HD3 LYS 13 10.034 -7.476 4.966 97 HE2 LYS 13 HE2 LYS 13 10.697 -6.031 7.384 98 HE3 LYS 13 HE3 LYS 13 11.791 -6.770 6.422 99 HZ1 LYS 13 HZ1 LYS 13 11.760 -4.428 5.974 100 HZ2 LYS 13 HZ2 LYS 13 10.185 -4.506 5.616 101 HZ3 LYS 13 HZ3 LYS 13 11.268 -5.238 4.664 102 H GLU 14 H GLU 14 6.122 -6.736 2.383 103 HA GLU 14 HA GLU 14 7.710 -4.563 1.735 104 HB2 GLU 14 HB2 GLU 14 7.086 -6.504 0.298 105 HB3 GLU 14 HB3 GLU 14 5.800 -5.595 -0.135 106 HG2 GLU 14 HG2 GLU 14 8.471 -4.603 -0.497 107 HG3 GLU 14 HG3 GLU 14 7.775 -5.544 -1.637 108 H ALA 15 H ALA 15 4.222 -4.921 1.606 109 HA ALA 15 HA ALA 15 3.733 -2.336 0.827 110 HB1 ALA 15 HB1 ALA 15 2.036 -4.039 0.709 111 HB2 ALA 15 HB2 ALA 15 1.447 -2.750 1.488 112 HB3 ALA 15 HB3 ALA 15 1.926 -4.051 2.322 113 H PHE 16 H PHE 16 4.078 -3.666 4.010 114 HA PHE 16 HA PHE 16 3.238 -1.423 5.395 115 HB2 PHE 16 HB2 PHE 16 3.623 -3.689 6.308 116 HB3 PHE 16 HB3 PHE 16 5.199 -3.275 6.420 117 HD1 PHE 16 HD1 PHE 16 5.923 -1.523 8.053 118 HD2 PHE 16 HD2 PHE 16 2.009 -2.942 7.920 119 HE1 PHE 16 HE1 PHE 16 5.518 -0.601 10.247 120 HE2 PHE 16 HE2 PHE 16 1.593 -2.022 10.114 121 HZ PHE 16 HZ PHE 16 3.357 -0.868 11.290 122 H SER 17 H SER 17 6.327 -2.352 4.166 123 HA SER 17 HA SER 17 7.761 -0.352 5.378 124 HB2 SER 17 HB2 SER 17 9.610 -0.983 4.020 125 HB3 SER 17 HB3 SER 17 8.817 -2.340 4.462 126 HG SER 17 HG SER 17 7.719 -1.874 2.319 127 H LEU 18 H LEU 18 5.671 -0.085 2.824 128 HA LEU 18 HA LEU 18 6.899 2.144 1.658 129 HB2 LEU 18 HB2 LEU 18 4.150 1.274 1.364 130 HB3 LEU 18 HB3 LEU 18 4.872 2.360 0.380 131 HG LEU 18 HG LEU 18 5.588 -0.416 0.506 132 HD11 LEU 18 HD11 LEU 18 4.474 -0.606 -1.640 133 HD12 LEU 18 HD12 LEU 18 4.024 0.943 -1.538 134 HD13 LEU 18 HD13 LEU 18 3.420 -0.144 -0.505 135 HD21 LEU 18 HD21 LEU 18 6.902 -0.032 -1.455 136 HD22 LEU 18 HD22 LEU 18 7.447 0.864 -0.225 137 HD23 LEU 18 HD23 LEU 18 6.551 1.544 -1.385 138 H PHE 19 H PHE 19 4.921 1.696 4.359 139 HA PHE 19 HA PHE 19 4.253 4.463 4.361 140 HB2 PHE 19 HB2 PHE 19 2.795 2.250 5.574 141 HB3 PHE 19 HB3 PHE 19 2.351 3.795 5.861 142 HD1 PHE 19 HD1 PHE 19 1.171 5.099 4.180 143 HD2 PHE 19 HD2 PHE 19 2.385 1.205 3.396 144 HE1 PHE 19 HE1 PHE 19 -0.220 5.072 2.208 145 HE2 PHE 19 HE2 PHE 19 1.025 1.166 1.406 146 HZ PHE 19 HZ PHE 19 -0.298 3.095 0.816 147 H ASP 20 H ASP 20 5.929 2.276 6.281 148 HA ASP 20 HA ASP 20 5.925 3.882 8.615 149 HB2 ASP 20 HB2 ASP 20 7.523 2.397 9.516 150 HB3 ASP 20 HB3 ASP 20 6.287 1.557 8.857 151 H LYS 21 H LYS 21 6.351 5.841 7.257 152 HA LYS 21 HA LYS 21 8.770 6.146 5.968 153 HB2 LYS 21 HB2 LYS 21 6.810 7.460 5.461 154 HB3 LYS 21 HB3 LYS 21 6.958 8.220 6.899 155 HG2 LYS 21 HG2 LYS 21 7.702 9.611 5.126 156 HG3 LYS 21 HG3 LYS 21 8.926 9.287 6.157 157 HD2 LYS 21 HD2 LYS 21 9.608 7.514 4.611 158 HD3 LYS 21 HD3 LYS 21 8.538 8.139 3.547 159 HE2 LYS 21 HE2 LYS 21 9.730 10.081 3.353 160 HE3 LYS 21 HE3 LYS 21 10.642 9.730 4.661 161 HZ1 LYS 21 HZ1 LYS 21 11.862 9.265 2.667 162 HZ2 LYS 21 HZ2 LYS 21 10.703 8.243 2.191 163 HZ3 LYS 21 HZ3 LYS 21 11.605 7.895 3.486 164 H ASP 22 H ASP 22 7.998 6.432 9.176 165 HA ASP 22 HA ASP 22 10.077 8.083 9.963 166 HB2 ASP 22 HB2 ASP 22 9.565 6.870 12.168 167 HB3 ASP 22 HB3 ASP 22 8.398 7.821 11.535 168 H GLY 23 H GLY 23 9.956 4.803 9.135 169 HA2 GLY 23 HA2 GLY 23 11.710 3.399 8.847 170 HA3 GLY 23 HA3 GLY 23 12.740 4.511 9.454 171 H ASP 24 H ASP 24 10.300 4.076 11.626 172 HA ASP 24 HA ASP 24 12.027 2.502 13.267 173 HB2 ASP 24 HB2 ASP 24 9.761 4.167 13.923 174 HB3 ASP 24 HB3 ASP 24 10.366 3.148 15.047 175 H GLY 25 H GLY 25 9.505 1.925 11.262 176 HA2 GLY 25 HA2 GLY 25 8.649 -0.172 10.893 177 HA3 GLY 25 HA3 GLY 25 9.191 -0.688 12.343 178 H THR 26 H THR 26 7.281 2.119 12.200 179 HA THR 26 HA THR 26 4.926 0.656 12.997 180 HB THR 26 HB THR 26 5.943 1.508 15.031 181 HG1 THR 26 HG1 THR 26 4.139 2.190 15.936 182 HG21 THR 26 HG21 THR 26 5.982 3.874 15.440 183 HG22 THR 26 HG22 THR 26 5.437 4.157 13.943 184 HG23 THR 26 HG23 THR 26 6.919 3.550 14.162 185 H ILE 27 H ILE 27 2.883 1.998 12.752 186 HA ILE 27 HA ILE 27 3.324 4.180 10.962 187 HB ILE 27 HB ILE 27 1.475 3.504 9.498 188 HG12 ILE 27 HG12 ILE 27 1.391 1.015 10.935 189 HG13 ILE 27 HG13 ILE 27 0.330 2.224 11.221 190 HG21 ILE 27 HG21 ILE 27 2.591 1.718 8.362 191 HG22 ILE 27 HG22 ILE 27 3.541 1.480 9.648 192 HG23 ILE 27 HG23 ILE 27 3.662 2.850 8.797 193 HD11 ILE 27 HD11 ILE 27 -0.647 0.601 9.794 194 HD12 ILE 27 HD12 ILE 27 0.542 0.806 8.718 195 HD13 ILE 27 HD13 ILE 27 -0.509 2.003 9.001 196 H THR 28 H THR 28 1.396 5.710 10.781 197 HA THR 28 HA THR 28 0.263 5.943 13.345 198 HB THR 28 HB THR 28 -0.749 8.024 12.498 199 HG1 THR 28 HG1 THR 28 -1.230 7.824 10.483 200 HG21 THR 28 HG21 THR 28 1.298 9.199 12.058 201 HG22 THR 28 HG22 THR 28 2.062 7.800 11.784 202 HG23 THR 28 HG23 THR 28 1.548 8.164 13.275 203 H THR 29 H THR 29 -2.005 5.917 13.916 204 HA THR 29 HA THR 29 -3.431 3.987 12.680 205 HB THR 29 HB THR 29 -5.419 4.982 13.977 206 HG1 THR 29 HG1 THR 29 -4.489 6.639 15.483 207 HG21 THR 29 HG21 THR 29 -4.519 4.499 16.139 208 HG22 THR 29 HG22 THR 29 -3.015 4.556 15.546 209 HG23 THR 29 HG23 THR 29 -4.013 3.365 15.104 210 H LYS 30 H LYS 30 -3.280 7.257 11.855 211 HA LYS 30 HA LYS 30 -5.711 7.418 10.545 212 HB2 LYS 30 HB2 LYS 30 -3.337 9.069 10.220 213 HB3 LYS 30 HB3 LYS 30 -4.797 9.500 9.626 214 HG2 LYS 30 HG2 LYS 30 -5.646 9.596 11.853 215 HG3 LYS 30 HG3 LYS 30 -4.156 9.238 12.417 216 HD2 LYS 30 HD2 LYS 30 -3.331 11.252 11.465 217 HD3 LYS 30 HD3 LYS 30 -4.838 11.615 10.954 218 HE2 LYS 30 HE2 LYS 30 -5.586 11.667 13.221 219 HE3 LYS 30 HE3 LYS 30 -4.069 11.330 13.722 220 HZ1 LYS 30 HZ1 LYS 30 -4.496 13.650 13.916 221 HZ2 LYS 30 HZ2 LYS 30 -4.824 13.732 12.335 222 HZ3 LYS 30 HZ3 LYS 30 -3.323 13.398 12.831 223 H GLU 31 H GLU 31 -2.732 6.218 9.469 224 HA GLU 31 HA GLU 31 -3.579 6.371 6.730 225 HB2 GLU 31 HB2 GLU 31 -1.228 6.890 7.708 226 HB3 GLU 31 HB3 GLU 31 -1.004 5.312 7.349 227 HG2 GLU 31 HG2 GLU 31 -0.217 6.663 5.588 228 HG3 GLU 31 HG3 GLU 31 -1.474 5.755 5.077 229 H LEU 32 H LEU 32 -4.117 4.350 9.064 230 HA LEU 32 HA LEU 32 -3.363 1.855 8.258 231 HB2 LEU 32 HB2 LEU 32 -4.528 2.627 10.318 232 HB3 LEU 32 HB3 LEU 32 -5.915 2.453 9.472 233 HG LEU 32 HG LEU 32 -4.250 0.285 10.305 234 HD11 LEU 32 HD11 LEU 32 -6.067 -0.122 11.896 235 HD12 LEU 32 HD12 LEU 32 -6.833 1.188 11.339 236 HD13 LEU 32 HD13 LEU 32 -5.443 1.349 12.149 237 HD21 LEU 32 HD21 LEU 32 -5.981 -1.168 9.674 238 HD22 LEU 32 HD22 LEU 32 -5.411 -0.363 8.394 239 HD23 LEU 32 HD23 LEU 32 -6.814 0.077 9.066 240 H GLY 33 H GLY 33 -6.230 3.571 7.316 241 HA2 GLY 33 HA2 GLY 33 -7.323 1.531 5.791 242 HA3 GLY 33 HA3 GLY 33 -7.717 3.113 5.689 243 H THR 34 H THR 34 -4.808 3.643 5.065 244 HA THR 34 HA THR 34 -5.142 3.448 2.271 245 HB THR 34 HB THR 34 -2.836 4.612 3.628 246 HG1 THR 34 HG1 THR 34 -3.931 6.541 3.687 247 HG21 THR 34 HG21 THR 34 -2.640 5.979 1.673 248 HG22 THR 34 HG22 THR 34 -3.950 5.281 1.031 249 HG23 THR 34 HG23 THR 34 -2.590 4.428 1.223 250 H VAL 35 H VAL 35 -3.032 2.090 4.671 251 HA VAL 35 HA VAL 35 -1.268 0.925 2.953 252 HB VAL 35 HB VAL 35 -1.990 -0.254 5.544 253 HG11 VAL 35 HG11 VAL 35 0.243 -1.158 5.582 254 HG12 VAL 35 HG12 VAL 35 0.537 -0.513 4.129 255 HG13 VAL 35 HG13 VAL 35 -0.546 -1.705 4.280 256 HG21 VAL 35 HG21 VAL 35 -0.307 1.113 6.553 257 HG22 VAL 35 HG22 VAL 35 -1.449 2.042 5.883 258 HG23 VAL 35 HG23 VAL 35 -0.031 1.835 5.132 259 H MET 36 H MET 36 -4.129 -0.453 4.411 260 HA MET 36 HA MET 36 -3.832 -2.884 3.197 261 HB2 MET 36 HB2 MET 36 -5.946 -1.649 4.627 262 HB3 MET 36 HB3 MET 36 -6.426 -2.877 3.662 263 HG2 MET 36 HG2 MET 36 -4.745 -4.213 4.742 264 HG3 MET 36 HG3 MET 36 -4.593 -2.999 5.825 265 HE1 MET 36 HE1 MET 36 -7.735 -3.036 7.876 266 HE2 MET 36 HE2 MET 36 -7.173 -1.974 6.795 267 HE3 MET 36 HE3 MET 36 -6.166 -2.647 7.867 268 H ARG 37 H ARG 37 -5.591 -0.096 2.035 269 HA ARG 37 HA ARG 37 -6.792 -1.534 -0.016 270 HB2 ARG 37 HB2 ARG 37 -7.605 0.450 -0.874 271 HB3 ARG 37 HB3 ARG 37 -7.584 0.640 0.747 272 HG2 ARG 37 HG2 ARG 37 -5.622 1.946 0.577 273 HG3 ARG 37 HG3 ARG 37 -5.623 1.744 -1.045 274 HD2 ARG 37 HD2 ARG 37 -6.531 3.828 -0.641 275 HD3 ARG 37 HD3 ARG 37 -7.773 2.866 -1.089 276 HE ARG 37 HE ARG 37 -7.561 2.796 1.673 277 HH11 ARG 37 HH11 ARG 37 -8.955 3.901 2.970 278 HH12 ARG 37 HH12 ARG 37 -9.899 5.210 2.341 279 HH21 ARG 37 HH21 ARG 37 -8.657 4.974 -0.865 280 HH22 ARG 37 HH22 ARG 37 -9.734 5.810 0.203 281 H SER 38 H SER 38 -3.687 -0.193 0.262 282 HA SER 38 HA SER 38 -3.124 -0.168 -2.493 283 HB2 SER 38 HB2 SER 38 -1.845 1.149 -0.874 284 HB3 SER 38 HB3 SER 38 -1.127 -0.236 -0.392 285 HG SER 38 HG SER 38 -1.071 0.371 -3.042 286 H LEU 39 H LEU 39 -2.824 -2.400 0.084 287 HA LEU 39 HA LEU 39 -1.415 -4.375 -1.362 288 HB2 LEU 39 HB2 LEU 39 -1.334 -4.098 1.045 289 HB3 LEU 39 HB3 LEU 39 -2.869 -4.651 1.117 290 HG LEU 39 HG LEU 39 -2.161 -6.805 0.574 291 HD11 LEU 39 HD11 LEU 39 0.125 -7.397 0.291 292 HD12 LEU 39 HD12 LEU 39 0.544 -5.837 0.358 293 HD13 LEU 39 HD13 LEU 39 -0.345 -6.383 -0.877 294 HD21 LEU 39 HD21 LEU 39 -0.858 -7.242 2.591 295 HD22 LEU 39 HD22 LEU 39 -2.039 -6.187 2.919 296 HD23 LEU 39 HD23 LEU 39 -0.523 -5.664 2.709 297 H GLY 40 H GLY 40 -4.468 -3.323 -1.651 298 HA2 GLY 40 HA2 GLY 40 -5.999 -4.229 -3.106 299 HA3 GLY 40 HA3 GLY 40 -5.245 -5.677 -3.060 300 H GLN 41 H GLN 41 -5.548 -4.863 0.026 301 HA GLN 41 HA GLN 41 -7.702 -6.619 0.484 302 HB2 GLN 41 HB2 GLN 41 -5.885 -6.454 2.019 303 HB3 GLN 41 HB3 GLN 41 -6.334 -4.926 2.376 304 HG2 GLN 41 HG2 GLN 41 -6.998 -6.457 4.079 305 HG3 GLN 41 HG3 GLN 41 -8.288 -5.703 3.418 306 HE21 GLN 41 HE21 GLN 41 -6.593 -8.663 3.702 307 HE22 GLN 41 HE22 GLN 41 -7.844 -9.674 3.058 308 H ASN 42 H ASN 42 -9.815 -6.151 1.219 309 HA ASN 42 HA ASN 42 -10.581 -3.385 0.884 310 HB2 ASN 42 HB2 ASN 42 -12.035 -5.763 0.126 311 HB3 ASN 42 HB3 ASN 42 -12.795 -4.322 0.237 312 HD21 ASN 42 HD21 ASN 42 -10.563 -6.201 -1.532 313 HD22 ASN 42 HD22 ASN 42 -10.512 -5.180 -2.930 314 HA PRO 43 HA PRO 43 -11.711 -4.626 5.069 315 HB2 PRO 43 HB2 PRO 43 -10.765 -2.580 6.464 316 HB3 PRO 43 HB3 PRO 43 -9.710 -3.727 5.976 317 HG2 PRO 43 HG2 PRO 43 -10.288 -1.239 4.694 318 HG3 PRO 43 HG3 PRO 43 -8.819 -1.845 5.073 319 HD2 PRO 43 HD2 PRO 43 -9.743 -2.141 2.670 320 HD3 PRO 43 HD3 PRO 43 -8.862 -3.337 3.346 321 H THR 44 H THR 44 -13.384 -3.947 6.501 322 HA THR 44 HA THR 44 -15.056 -2.186 5.105 323 HB THR 44 HB THR 44 -16.740 -2.618 6.928 324 HG1 THR 44 HG1 THR 44 -15.422 -4.725 7.861 325 HG21 THR 44 HG21 THR 44 -17.201 -4.815 6.335 326 HG22 THR 44 HG22 THR 44 -15.735 -4.966 5.670 327 HG23 THR 44 HG23 THR 44 -16.821 -3.965 5.013 328 H GLU 45 H GLU 45 -16.246 -0.388 6.191 329 HA GLU 45 HA GLU 45 -14.656 1.339 7.650 330 HB2 GLU 45 HB2 GLU 45 -16.653 1.883 6.347 331 HB3 GLU 45 HB3 GLU 45 -17.546 1.284 7.577 332 HG2 GLU 45 HG2 GLU 45 -16.842 3.010 8.970 333 HG3 GLU 45 HG3 GLU 45 -15.856 3.582 7.800 334 H ALA 46 H ALA 46 -16.756 -1.236 8.568 335 HA ALA 46 HA ALA 46 -16.938 -0.501 11.261 336 HB1 ALA 46 HB1 ALA 46 -18.590 -1.970 10.273 337 HB2 ALA 46 HB2 ALA 46 -17.948 -2.694 11.569 338 HB3 ALA 46 HB3 ALA 46 -17.468 -3.120 10.085 339 H GLU 47 H GLU 47 -14.978 -2.754 9.534 340 HA GLU 47 HA GLU 47 -13.603 -3.822 11.698 341 HB2 GLU 47 HB2 GLU 47 -13.735 -4.779 9.466 342 HB3 GLU 47 HB3 GLU 47 -12.725 -3.608 8.943 343 HG2 GLU 47 HG2 GLU 47 -10.986 -4.524 10.179 344 HG3 GLU 47 HG3 GLU 47 -11.992 -5.661 10.783 345 H LEU 48 H LEU 48 -13.007 -1.064 9.721 346 HA LEU 48 HA LEU 48 -10.470 -0.525 10.638 347 HB2 LEU 48 HB2 LEU 48 -12.241 0.718 8.994 348 HB3 LEU 48 HB3 LEU 48 -11.783 1.843 10.085 349 HG LEU 48 HG LEU 48 -9.497 1.461 9.423 350 HD11 LEU 48 HD11 LEU 48 -9.047 0.290 7.386 351 HD12 LEU 48 HD12 LEU 48 -10.603 -0.139 7.281 352 HD13 LEU 48 HD13 LEU 48 -9.683 -0.718 8.479 353 HD21 LEU 48 HD21 LEU 48 -9.703 2.726 7.360 354 HD22 LEU 48 HD22 LEU 48 -10.721 3.315 8.469 355 HD23 LEU 48 HD23 LEU 48 -11.275 2.354 7.292 356 H GLN 49 H GLN 49 -13.567 0.693 11.717 357 HA GLN 49 HA GLN 49 -12.565 2.289 13.734 358 HB2 GLN 49 HB2 GLN 49 -14.829 2.431 12.897 359 HB3 GLN 49 HB3 GLN 49 -15.178 1.035 13.668 360 HG2 GLN 49 HG2 GLN 49 -16.022 2.807 14.928 361 HG3 GLN 49 HG3 GLN 49 -14.791 2.128 15.758 362 HE21 GLN 49 HE21 GLN 49 -13.434 3.468 16.726 363 HE22 GLN 49 HE22 GLN 49 -13.089 5.070 16.162 364 H ASP 50 H ASP 50 -13.654 -0.981 13.745 365 HA ASP 50 HA ASP 50 -13.514 -1.498 16.413 366 HB2 ASP 50 HB2 ASP 50 -14.470 -2.983 14.721 367 HB3 ASP 50 HB3 ASP 50 -12.955 -3.387 14.262 368 H MET 51 H MET 51 -10.979 -2.181 14.060 369 HA MET 51 HA MET 51 -9.298 -3.048 16.079 370 HB2 MET 51 HB2 MET 51 -7.649 -3.383 14.461 371 HB3 MET 51 HB3 MET 51 -9.079 -3.754 13.764 372 HG2 MET 51 HG2 MET 51 -9.091 -1.797 12.603 373 HG3 MET 51 HG3 MET 51 -7.768 -1.268 13.400 374 HE1 MET 51 HE1 MET 51 -7.809 -4.485 10.220 375 HE2 MET 51 HE2 MET 51 -9.024 -3.462 10.523 376 HE3 MET 51 HE3 MET 51 -8.655 -4.618 11.592 377 H ILE 52 H ILE 52 -9.720 0.097 14.736 378 HA ILE 52 HA ILE 52 -7.343 1.142 15.692 379 HB ILE 52 HB ILE 52 -9.808 2.524 15.037 380 HG12 ILE 52 HG12 ILE 52 -7.237 2.752 13.742 381 HG13 ILE 52 HG13 ILE 52 -8.325 1.622 13.288 382 HG21 ILE 52 HG21 ILE 52 -8.683 4.663 15.325 383 HG22 ILE 52 HG22 ILE 52 -7.373 3.905 15.895 384 HG23 ILE 52 HG23 ILE 52 -8.748 3.893 16.745 385 HD11 ILE 52 HD11 ILE 52 -8.419 3.493 11.790 386 HD12 ILE 52 HD12 ILE 52 -8.750 4.483 13.025 387 HD13 ILE 52 HD13 ILE 52 -9.827 3.364 12.576 388 H ASN 53 H ASN 53 -10.512 0.831 17.147 389 HA ASN 53 HA ASN 53 -9.817 2.233 19.409 390 HB2 ASN 53 HB2 ASN 53 -12.013 0.455 18.841 391 HB3 ASN 53 HB3 ASN 53 -11.837 0.975 20.378 392 HD21 ASN 53 HD21 ASN 53 -11.086 3.553 20.127 393 HD22 ASN 53 HD22 ASN 53 -12.363 4.447 19.374 394 H GLU 54 H GLU 54 -9.206 -1.008 18.626 395 HA GLU 54 HA GLU 54 -8.840 -1.961 21.203 396 HB2 GLU 54 HB2 GLU 54 -9.046 -3.439 19.343 397 HB3 GLU 54 HB3 GLU 54 -7.640 -2.883 18.726 398 HG2 GLU 54 HG2 GLU 54 -7.107 -4.929 19.581 399 HG3 GLU 54 HG3 GLU 54 -6.545 -3.873 20.694 400 H VAL 55 H VAL 55 -6.603 -0.442 18.997 401 HA VAL 55 HA VAL 55 -4.609 -0.690 20.996 402 HB VAL 55 HB VAL 55 -2.978 -0.032 19.188 403 HG11 VAL 55 HG11 VAL 55 -3.044 -2.187 18.096 404 HG12 VAL 55 HG12 VAL 55 -4.534 -2.434 18.673 405 HG13 VAL 55 HG13 VAL 55 -3.275 -2.365 19.686 406 HG21 VAL 55 HG21 VAL 55 -3.752 -0.065 16.912 407 HG22 VAL 55 HG22 VAL 55 -4.481 1.126 17.727 408 HG23 VAL 55 HG23 VAL 55 -5.274 -0.252 17.425 409 H ASP 56 H ASP 56 -6.366 1.785 19.477 410 HA ASP 56 HA ASP 56 -4.651 3.855 20.428 411 HB2 ASP 56 HB2 ASP 56 -6.070 3.942 18.359 412 HB3 ASP 56 HB3 ASP 56 -7.277 4.364 19.375 413 H ALA 57 H ALA 57 -6.089 1.906 22.165 414 HA ALA 57 HA ALA 57 -7.968 3.267 23.648 415 HB1 ALA 57 HB1 ALA 57 -7.756 0.850 23.734 416 HB2 ALA 57 HB2 ALA 57 -7.690 1.436 25.240 417 HB3 ALA 57 HB3 ALA 57 -6.330 0.994 24.483 418 H ASP 58 H ASP 58 -4.561 3.360 23.724 419 HA ASP 58 HA ASP 58 -4.554 4.755 26.216 420 HB2 ASP 58 HB2 ASP 58 -2.277 4.447 26.340 421 HB3 ASP 58 HB3 ASP 58 -2.825 3.065 25.664 422 H GLY 59 H GLY 59 -4.895 5.470 23.060 423 HA2 GLY 59 HA2 GLY 59 -5.170 7.519 22.150 424 HA3 GLY 59 HA3 GLY 59 -4.603 8.235 23.505 425 H ASN 60 H ASN 60 -2.502 5.938 22.073 426 HA ASN 60 HA ASN 60 -0.777 8.071 21.528 427 HB2 ASN 60 HB2 ASN 60 0.981 6.481 21.272 428 HB3 ASN 60 HB3 ASN 60 0.077 6.026 22.552 429 HD21 ASN 60 HD21 ASN 60 1.385 4.027 22.036 430 HD22 ASN 60 HD22 ASN 60 0.631 2.900 20.958 431 H GLY 61 H GLY 61 -2.888 6.444 19.547 432 HA2 GLY 61 HA2 GLY 61 -3.245 6.676 17.346 433 HA3 GLY 61 HA3 GLY 61 -2.273 7.988 17.355 434 H THR 62 H THR 62 -0.996 4.933 18.203 435 HA THR 62 HA THR 62 0.525 4.866 15.741 436 HB THR 62 HB THR 62 1.621 4.303 18.404 437 HG1 THR 62 HG1 THR 62 1.731 6.358 18.688 438 HG21 THR 62 HG21 THR 62 3.758 4.481 17.424 439 HG22 THR 62 HG22 THR 62 3.094 4.771 15.979 440 HG23 THR 62 HG23 THR 62 2.923 3.319 16.670 441 H ILE 63 H ILE 63 1.295 2.794 14.958 442 HA ILE 63 HA ILE 63 0.091 0.588 16.283 443 HB ILE 63 HB ILE 63 -0.172 0.888 13.373 444 HG12 ILE 63 HG12 ILE 63 -2.328 1.012 15.262 445 HG13 ILE 63 HG13 ILE 63 -1.659 2.325 14.557 446 HG21 ILE 63 HG21 ILE 63 -1.500 -1.174 13.451 447 HG22 ILE 63 HG22 ILE 63 -1.248 -1.279 15.045 448 HG23 ILE 63 HG23 ILE 63 -0.015 -1.474 14.016 449 HD11 ILE 63 HD11 ILE 63 -3.692 1.747 13.448 450 HD12 ILE 63 HD12 ILE 63 -3.113 0.272 13.125 451 HD13 ILE 63 HD13 ILE 63 -2.451 1.572 12.426 452 H ASP 64 H ASP 64 1.864 -0.611 16.867 453 HA ASP 64 HA ASP 64 4.170 -0.659 15.301 454 HB2 ASP 64 HB2 ASP 64 3.402 -2.337 17.523 455 HB3 ASP 64 HB3 ASP 64 4.884 -2.418 16.842 456 H PHE 65 H PHE 65 5.080 -2.306 13.977 457 HA PHE 65 HA PHE 65 3.383 -3.517 12.335 458 HB2 PHE 65 HB2 PHE 65 5.732 -3.319 11.848 459 HB3 PHE 65 HB3 PHE 65 6.080 -4.428 12.995 460 HD1 PHE 65 HD1 PHE 65 6.124 -6.768 12.486 461 HD2 PHE 65 HD2 PHE 65 4.623 -4.044 9.729 462 HE1 PHE 65 HE1 PHE 65 6.075 -8.505 10.806 463 HE2 PHE 65 HE2 PHE 65 4.588 -5.756 8.035 464 HZ PHE 65 HZ PHE 65 5.303 -7.998 8.571 465 HA PRO 66 HA PRO 66 3.301 -7.614 14.192 466 HB2 PRO 66 HB2 PRO 66 3.761 -8.090 16.790 467 HB3 PRO 66 HB3 PRO 66 5.025 -8.101 15.755 468 HG2 PRO 66 HG2 PRO 66 4.128 -5.934 17.382 469 HG3 PRO 66 HG3 PRO 66 5.647 -6.521 17.251 470 HD2 PRO 66 HD2 PRO 66 4.979 -4.441 15.866 471 HD3 PRO 66 HD3 PRO 66 5.964 -5.558 15.195 472 H GLU 67 H GLU 67 2.194 -5.004 16.088 473 HA GLU 67 HA GLU 67 -0.019 -6.417 17.048 474 HB2 GLU 67 HB2 GLU 67 0.482 -3.582 16.996 475 HB3 GLU 67 HB3 GLU 67 -0.872 -4.202 17.664 476 HG2 GLU 67 HG2 GLU 67 1.819 -4.612 18.586 477 HG3 GLU 67 HG3 GLU 67 0.633 -3.825 19.387 478 H PHE 68 H PHE 68 0.602 -4.575 14.210 479 HA PHE 68 HA PHE 68 -1.990 -4.274 13.321 480 HB2 PHE 68 HB2 PHE 68 0.069 -3.356 12.296 481 HB3 PHE 68 HB3 PHE 68 0.180 -4.779 11.502 482 HD1 PHE 68 HD1 PHE 68 -0.911 -1.574 11.163 483 HD2 PHE 68 HD2 PHE 68 -2.072 -5.448 10.185 484 HE1 PHE 68 HE1 PHE 68 -2.344 -0.706 9.422 485 HE2 PHE 68 HE2 PHE 68 -3.501 -4.581 8.444 486 HZ PHE 68 HZ PHE 68 -3.634 -2.211 8.062 487 H LEU 69 H LEU 69 0.287 -6.871 12.879 488 HA LEU 69 HA LEU 69 -1.401 -8.523 11.429 489 HB2 LEU 69 HB2 LEU 69 0.941 -9.161 12.996 490 HB3 LEU 69 HB3 LEU 69 0.199 -10.279 12.066 491 HG LEU 69 HG LEU 69 1.393 -7.909 10.957 492 HD11 LEU 69 HD11 LEU 69 3.276 -9.289 10.353 493 HD12 LEU 69 HD12 LEU 69 2.617 -10.535 11.145 494 HD13 LEU 69 HD13 LEU 69 3.125 -9.236 11.962 495 HD21 LEU 69 HD21 LEU 69 1.253 -9.081 8.864 496 HD22 LEU 69 HD22 LEU 69 -0.222 -8.921 9.507 497 HD23 LEU 69 HD23 LEU 69 0.555 -10.336 9.607 498 H THR 70 H THR 70 -0.751 -8.265 14.822 499 HA THR 70 HA THR 70 -2.178 -10.460 15.630 500 HB THR 70 HB THR 70 -1.688 -8.033 17.191 501 HG1 THR 70 HG1 THR 70 -0.235 -10.389 17.244 502 HG21 THR 70 HG21 THR 70 -1.965 -9.388 19.146 503 HG22 THR 70 HG22 THR 70 -2.297 -10.678 18.230 504 HG23 THR 70 HG23 THR 70 -3.335 -9.438 18.288 505 H MET 71 H MET 71 -3.277 -7.163 15.181 506 HA MET 71 HA MET 71 -5.841 -7.626 16.086 507 HB2 MET 71 HB2 MET 71 -4.874 -5.611 14.261 508 HB3 MET 71 HB3 MET 71 -6.423 -5.615 14.778 509 HG2 MET 71 HG2 MET 71 -5.650 -5.409 16.984 510 HG3 MET 71 HG3 MET 71 -4.123 -5.311 16.414 511 HE1 MET 71 HE1 MET 71 -3.971 -1.931 14.641 512 HE2 MET 71 HE2 MET 71 -4.053 -3.421 14.016 513 HE3 MET 71 HE3 MET 71 -3.078 -3.123 15.270 514 H MET 72 H MET 72 -4.409 -8.091 12.977 515 HA MET 72 HA MET 72 -6.805 -8.548 11.642 516 HB2 MET 72 HB2 MET 72 -4.649 -8.018 10.589 517 HB3 MET 72 HB3 MET 72 -4.280 -9.601 10.750 518 HG2 MET 72 HG2 MET 72 -5.924 -10.225 9.342 519 HG3 MET 72 HG3 MET 72 -6.591 -8.735 9.360 520 HE1 MET 72 HE1 MET 72 -4.410 -6.601 7.093 521 HE2 MET 72 HE2 MET 72 -4.531 -6.621 8.705 522 HE3 MET 72 HE3 MET 72 -5.862 -6.719 7.793 523 H ALA 73 H ALA 73 -4.875 -10.564 13.612 524 HA ALA 73 HA ALA 73 -6.279 -12.915 12.889 525 HB1 ALA 73 HB1 ALA 73 -4.028 -13.125 13.724 526 HB2 ALA 73 HB2 ALA 73 -5.022 -13.956 14.692 527 HB3 ALA 73 HB3 ALA 73 -4.481 -12.501 15.145 528 H ARG 74 H ARG 74 -6.361 -10.573 15.408 529 HA ARG 74 HA ARG 74 -8.029 -11.817 17.139 530 HB2 ARG 74 HB2 ARG 74 -6.699 -9.723 17.497 531 HB3 ARG 74 HB3 ARG 74 -7.898 -8.915 16.738 532 HG2 ARG 74 HG2 ARG 74 -9.361 -9.642 18.528 533 HG3 ARG 74 HG3 ARG 74 -8.019 -10.140 19.314 534 HD2 ARG 74 HD2 ARG 74 -8.549 -7.404 18.535 535 HD3 ARG 74 HD3 ARG 74 -8.622 -7.964 20.067 536 HE ARG 74 HE ARG 74 -6.284 -7.225 18.635 537 HH11 ARG 74 HH11 ARG 74 -7.453 -9.002 21.447 538 HH12 ARG 74 HH12 ARG 74 -5.924 -8.895 22.254 539 HH21 ARG 74 HH21 ARG 74 -4.372 -7.120 19.737 540 HH22 ARG 74 HH22 ARG 74 -4.210 -7.846 21.300 541 H LYS 75 H LYS 75 -9.024 -9.848 14.479 542 HA LYS 75 HA LYS 75 -11.647 -9.723 15.437 543 HB2 LYS 75 HB2 LYS 75 -12.059 -8.209 13.805 544 HB3 LYS 75 HB3 LYS 75 -10.431 -8.105 13.892 545 HG2 LYS 75 HG2 LYS 75 -11.894 -9.456 11.819 546 HG3 LYS 75 HG3 LYS 75 -11.101 -8.037 11.654 547 HD2 LYS 75 HD2 LYS 75 -9.082 -9.296 12.234 548 HD3 LYS 75 HD3 LYS 75 -9.974 -10.633 11.945 549 HE2 LYS 75 HE2 LYS 75 -9.344 -8.582 10.019 550 HE3 LYS 75 HE3 LYS 75 -8.800 -10.121 9.985 551 HZ1 LYS 75 HZ1 LYS 75 -10.531 -9.832 8.415 552 HZ2 LYS 75 HZ2 LYS 75 -11.535 -9.355 9.590 553 HZ3 LYS 75 HZ3 LYS 75 -10.997 -10.879 9.556 554 H MET 76 H MET 76 -10.523 -12.420 14.672 555 HA MET 76 HA MET 76 -12.344 -13.500 12.870 556 HB2 MET 76 HB2 MET 76 -10.422 -14.705 13.498 557 HB3 MET 76 HB3 MET 76 -10.976 -14.831 15.028 558 HG2 MET 76 HG2 MET 76 -11.239 -16.823 13.927 559 HG3 MET 76 HG3 MET 76 -12.687 -16.193 14.346 560 HE1 MET 76 HE1 MET 76 -13.948 -17.805 11.129 561 HE2 MET 76 HE2 MET 76 -14.312 -17.467 12.669 562 HE3 MET 76 HE3 MET 76 -13.069 -18.444 12.327 563 H LYS 77 H LYS 77 -14.514 -14.088 13.084 564 HA LYS 77 HA LYS 77 -15.714 -13.259 15.510 565 HB2 LYS 77 HB2 LYS 77 -16.632 -12.725 13.283 566 HB3 LYS 77 HB3 LYS 77 -17.068 -14.293 13.154 567 HG2 LYS 77 HG2 LYS 77 -18.532 -13.983 15.052 568 HG3 LYS 77 HG3 LYS 77 -18.170 -12.391 15.022 569 HD2 LYS 77 HD2 LYS 77 -19.416 -13.748 12.818 570 HD3 LYS 77 HD3 LYS 77 -20.262 -12.926 13.947 571 HE2 LYS 77 HE2 LYS 77 -19.071 -10.925 13.310 572 HE3 LYS 77 HE3 LYS 77 -18.368 -11.771 12.102 573 HZ1 LYS 77 HZ1 LYS 77 -20.233 -10.563 11.276 574 HZ2 LYS 77 HZ2 LYS 77 -21.200 -11.313 12.333 575 HZ3 LYS 77 HZ3 LYS 77 -20.505 -12.151 11.137 576 H ASP 78 H ASP 78 -16.875 -14.346 17.011 577 HA ASP 78 HA ASP 78 -16.416 -17.004 17.419 578 HB2 ASP 78 HB2 ASP 78 -18.537 -15.304 18.438 579 HB3 ASP 78 HB3 ASP 78 -18.312 -16.817 19.012 580 H THR 79 H THR 79 -17.842 -18.877 17.423 581 HA THR 79 HA THR 79 -19.605 -18.704 15.202 582 HB THR 79 HB THR 79 -19.149 -21.185 14.942 583 HG1 THR 79 HG1 THR 79 -17.856 -22.194 16.302 584 HG21 THR 79 HG21 THR 79 -16.866 -20.971 14.197 585 HG22 THR 79 HG22 THR 79 -16.712 -19.584 15.014 586 HG23 THR 79 HG23 THR 79 -17.683 -19.658 13.722 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -5.618 -25.271 11.746 2 H2 ALA 1 H2 ALA 1 -4.965 -25.167 10.271 3 H3 ALA 1 H3 ALA 1 -5.361 -23.822 11.075 4 HA ALA 1 HA ALA 1 -3.701 -24.246 12.669 5 HB1 ALA 1 HB1 ALA 1 -3.670 -26.676 12.576 6 HB2 ALA 1 HB2 ALA 1 -2.162 -26.112 12.422 7 HB3 ALA 1 HB3 ALA 1 -2.975 -26.616 11.118 8 H ASP 2 H ASP 2 -2.322 -22.625 12.400 9 HA ASP 2 HA ASP 2 -1.505 -22.158 9.683 10 HB2 ASP 2 HB2 ASP 2 -2.250 -20.150 11.674 11 HB3 ASP 2 HB3 ASP 2 -1.998 -19.828 10.094 12 H GLN 3 H GLN 3 0.294 -21.005 9.109 13 HA GLN 3 HA GLN 3 2.217 -20.349 11.080 14 HB2 GLN 3 HB2 GLN 3 2.522 -22.738 10.875 15 HB3 GLN 3 HB3 GLN 3 2.859 -22.526 9.292 16 HG2 GLN 3 HG2 GLN 3 4.817 -21.385 9.821 17 HG3 GLN 3 HG3 GLN 3 4.461 -21.457 11.413 18 HE21 GLN 3 HE21 GLN 3 4.727 -23.344 12.605 19 HE22 GLN 3 HE22 GLN 3 5.595 -24.692 11.949 20 H LEU 4 H LEU 4 3.162 -18.481 10.262 21 HA LEU 4 HA LEU 4 2.804 -17.848 7.558 22 HB2 LEU 4 HB2 LEU 4 4.428 -16.563 9.564 23 HB3 LEU 4 HB3 LEU 4 4.240 -15.943 8.064 24 HG LEU 4 HG LEU 4 2.060 -16.214 9.919 25 HD11 LEU 4 HD11 LEU 4 2.313 -13.840 10.318 26 HD12 LEU 4 HD12 LEU 4 3.624 -13.819 9.372 27 HD13 LEU 4 HD13 LEU 4 3.654 -14.618 10.777 28 HD21 LEU 4 HD21 LEU 4 0.887 -14.741 8.443 29 HD22 LEU 4 HD22 LEU 4 1.324 -16.085 7.657 30 HD23 LEU 4 HD23 LEU 4 2.160 -14.717 7.446 31 H THR 5 H THR 5 4.223 -18.089 5.795 32 HA THR 5 HA THR 5 6.625 -19.517 6.366 33 HB THR 5 HB THR 5 6.844 -19.863 3.993 34 HG1 THR 5 HG1 THR 5 4.543 -18.616 3.377 35 HG21 THR 5 HG21 THR 5 4.810 -21.074 3.582 36 HG22 THR 5 HG22 THR 5 4.082 -20.301 4.801 37 HG23 THR 5 HG23 THR 5 5.272 -21.352 5.106 38 H GLU 6 H GLU 6 8.753 -18.740 5.423 39 HA GLU 6 HA GLU 6 9.173 -16.080 5.997 40 HB2 GLU 6 HB2 GLU 6 11.366 -16.412 5.065 41 HB3 GLU 6 HB3 GLU 6 10.950 -17.631 6.071 42 HG2 GLU 6 HG2 GLU 6 10.343 -18.900 4.059 43 HG3 GLU 6 HG3 GLU 6 11.110 -17.739 3.206 44 H GLU 7 H GLU 7 8.281 -17.585 3.084 45 HA GLU 7 HA GLU 7 8.826 -15.514 1.320 46 HB2 GLU 7 HB2 GLU 7 8.310 -17.833 0.746 47 HB3 GLU 7 HB3 GLU 7 6.743 -17.512 1.079 48 HG2 GLU 7 HG2 GLU 7 6.587 -16.104 -0.753 49 HG3 GLU 7 HG3 GLU 7 8.190 -16.236 -1.038 50 H GLN 8 H GLN 8 5.970 -16.284 3.145 51 HA GLN 8 HA GLN 8 4.423 -14.206 2.099 52 HB2 GLN 8 HB2 GLN 8 4.090 -15.770 4.513 53 HB3 GLN 8 HB3 GLN 8 2.951 -14.724 3.991 54 HG2 GLN 8 HG2 GLN 8 2.451 -16.030 2.167 55 HG3 GLN 8 HG3 GLN 8 3.799 -16.932 2.359 56 HE21 GLN 8 HE21 GLN 8 0.951 -17.672 2.150 57 HE22 GLN 8 HE22 GLN 8 0.655 -18.642 3.554 58 H ILE 9 H ILE 9 6.470 -14.508 4.859 59 HA ILE 9 HA ILE 9 5.767 -12.135 6.083 60 HB ILE 9 HB ILE 9 8.244 -13.658 6.323 61 HG12 ILE 9 HG12 ILE 9 6.152 -13.449 8.305 62 HG13 ILE 9 HG13 ILE 9 6.098 -14.599 7.147 63 HG21 ILE 9 HG21 ILE 9 8.794 -12.382 8.314 64 HG22 ILE 9 HG22 ILE 9 7.508 -11.433 8.069 65 HG23 ILE 9 HG23 ILE 9 8.749 -11.396 7.033 66 HD11 ILE 9 HD11 ILE 9 6.949 -15.529 9.183 67 HD12 ILE 9 HD12 ILE 9 8.151 -14.446 9.192 68 HD13 ILE 9 HD13 ILE 9 8.098 -15.585 8.045 69 H ALA 10 H ALA 10 7.951 -12.790 3.488 70 HA ALA 10 HA ALA 10 9.269 -10.380 3.500 71 HB1 ALA 10 HB1 ALA 10 10.022 -12.219 2.126 72 HB2 ALA 10 HB2 ALA 10 9.876 -10.898 1.206 73 HB3 ALA 10 HB3 ALA 10 8.734 -12.041 1.165 74 H GLU 11 H GLU 11 6.384 -11.306 1.758 75 HA GLU 11 HA GLU 11 5.919 -8.853 0.547 76 HB2 GLU 11 HB2 GLU 11 4.849 -10.900 -0.141 77 HB3 GLU 11 HB3 GLU 11 3.976 -10.896 1.239 78 HG2 GLU 11 HG2 GLU 11 2.874 -8.917 0.499 79 HG3 GLU 11 HG3 GLU 11 3.701 -9.011 -0.907 80 H PHE 12 H PHE 12 4.774 -10.224 3.500 81 HA PHE 12 HA PHE 12 3.040 -8.272 4.278 82 HB2 PHE 12 HB2 PHE 12 3.406 -10.454 5.356 83 HB3 PHE 12 HB3 PHE 12 4.723 -9.812 6.077 84 HD1 PHE 12 HD1 PHE 12 1.202 -10.033 6.163 85 HD2 PHE 12 HD2 PHE 12 4.483 -8.150 7.886 86 HE1 PHE 12 HE1 PHE 12 -0.179 -9.326 7.998 87 HE2 PHE 12 HE2 PHE 12 3.102 -7.403 9.712 88 HZ PHE 12 HZ PHE 12 0.762 -7.992 9.772 89 H LYS 13 H LYS 13 6.456 -8.460 4.822 90 HA LYS 13 HA LYS 13 6.558 -6.141 6.359 91 HB2 LYS 13 HB2 LYS 13 8.253 -7.892 6.413 92 HB3 LYS 13 HB3 LYS 13 8.776 -7.369 4.956 93 HG2 LYS 13 HG2 LYS 13 9.310 -5.240 5.998 94 HG3 LYS 13 HG3 LYS 13 8.959 -5.918 7.443 95 HD2 LYS 13 HD2 LYS 13 11.036 -6.878 5.709 96 HD3 LYS 13 HD3 LYS 13 11.308 -5.884 6.977 97 HE2 LYS 13 HE2 LYS 13 10.431 -7.592 8.438 98 HE3 LYS 13 HE3 LYS 13 10.321 -8.589 7.149 99 HZ1 LYS 13 HZ1 LYS 13 12.331 -9.005 8.336 100 HZ2 LYS 13 HZ2 LYS 13 12.782 -7.466 8.132 101 HZ3 LYS 13 HZ3 LYS 13 12.675 -8.453 6.856 102 H GLU 14 H GLU 14 6.935 -6.727 2.977 103 HA GLU 14 HA GLU 14 8.118 -4.346 2.307 104 HB2 GLU 14 HB2 GLU 14 7.880 -6.178 0.763 105 HB3 GLU 14 HB3 GLU 14 6.291 -5.827 0.620 106 HG2 GLU 14 HG2 GLU 14 6.793 -3.787 -0.414 107 HG3 GLU 14 HG3 GLU 14 8.391 -4.032 -0.180 108 H ALA 15 H ALA 15 4.731 -5.146 2.544 109 HA ALA 15 HA ALA 15 3.755 -2.741 1.701 110 HB1 ALA 15 HB1 ALA 15 2.344 -4.689 2.012 111 HB2 ALA 15 HB2 ALA 15 1.679 -3.423 2.766 112 HB3 ALA 15 HB3 ALA 15 2.484 -4.538 3.617 113 H PHE 16 H PHE 16 4.781 -3.643 4.888 114 HA PHE 16 HA PHE 16 3.874 -1.283 6.106 115 HB2 PHE 16 HB2 PHE 16 4.313 -3.357 7.314 116 HB3 PHE 16 HB3 PHE 16 5.911 -3.098 7.101 117 HD1 PHE 16 HD1 PHE 16 7.088 -1.342 8.396 118 HD2 PHE 16 HD2 PHE 16 3.053 -2.161 8.999 119 HE1 PHE 16 HE1 PHE 16 7.153 -0.115 10.478 120 HE2 PHE 16 HE2 PHE 16 3.116 -0.966 11.096 121 HZ PHE 16 HZ PHE 16 5.168 0.053 11.839 122 H SER 17 H SER 17 6.966 -2.356 4.958 123 HA SER 17 HA SER 17 8.364 -0.158 5.832 124 HB2 SER 17 HB2 SER 17 9.431 -2.294 5.209 125 HB3 SER 17 HB3 SER 17 9.152 -1.941 3.639 126 HG SER 17 HG SER 17 10.598 -0.339 3.680 127 H LEU 18 H LEU 18 6.478 -0.496 3.056 128 HA LEU 18 HA LEU 18 7.744 1.540 1.621 129 HB2 LEU 18 HB2 LEU 18 5.245 0.162 1.278 130 HB3 LEU 18 HB3 LEU 18 5.554 1.460 0.337 131 HG LEU 18 HG LEU 18 7.250 -0.860 0.356 132 HD11 LEU 18 HD11 LEU 18 6.147 -1.530 -1.689 133 HD12 LEU 18 HD12 LEU 18 5.118 -0.292 -1.536 134 HD13 LEU 18 HD13 LEU 18 5.087 -1.505 -0.468 135 HD21 LEU 18 HD21 LEU 18 8.128 0.016 -1.703 136 HD22 LEU 18 HD22 LEU 18 8.345 1.085 -0.509 137 HD23 LEU 18 HD23 LEU 18 7.152 1.299 -1.580 138 H PHE 19 H PHE 19 5.392 1.522 4.058 139 HA PHE 19 HA PHE 19 4.714 4.257 3.507 140 HB2 PHE 19 HB2 PHE 19 3.326 2.254 5.030 141 HB3 PHE 19 HB3 PHE 19 2.923 3.827 5.207 142 HD1 PHE 19 HD1 PHE 19 1.509 4.926 3.639 143 HD2 PHE 19 HD2 PHE 19 3.018 1.151 2.767 144 HE1 PHE 19 HE1 PHE 19 0.022 4.780 1.743 145 HE2 PHE 19 HE2 PHE 19 1.550 0.994 0.856 146 HZ PHE 19 HZ PHE 19 0.034 2.806 0.350 147 H ASP 20 H ASP 20 6.053 2.298 6.038 148 HA ASP 20 HA ASP 20 6.455 4.473 7.784 149 HB2 ASP 20 HB2 ASP 20 6.391 2.338 8.728 150 HB3 ASP 20 HB3 ASP 20 7.690 1.877 7.851 151 H LYS 21 H LYS 21 7.294 5.856 5.988 152 HA LYS 21 HA LYS 21 9.923 5.281 5.112 153 HB2 LYS 21 HB2 LYS 21 8.189 6.351 3.716 154 HB3 LYS 21 HB3 LYS 21 8.439 7.710 4.586 155 HG2 LYS 21 HG2 LYS 21 10.706 7.705 3.852 156 HG3 LYS 21 HG3 LYS 21 10.358 6.429 2.895 157 HD2 LYS 21 HD2 LYS 21 8.854 7.742 1.656 158 HD3 LYS 21 HD3 LYS 21 9.134 9.016 2.638 159 HE2 LYS 21 HE2 LYS 21 11.121 7.787 0.938 160 HE3 LYS 21 HE3 LYS 21 10.424 9.237 0.654 161 HZ1 LYS 21 HZ1 LYS 21 12.567 9.545 1.662 162 HZ2 LYS 21 HZ2 LYS 21 12.104 8.660 2.934 163 HZ3 LYS 21 HZ3 LYS 21 11.414 10.096 2.652 164 H ASP 22 H ASP 22 8.494 6.974 7.624 165 HA ASP 22 HA ASP 22 10.592 8.818 8.034 166 HB2 ASP 22 HB2 ASP 22 8.344 8.098 9.687 167 HB3 ASP 22 HB3 ASP 22 9.429 9.221 10.163 168 H GLY 23 H GLY 23 9.957 5.605 8.937 169 HA2 GLY 23 HA2 GLY 23 11.540 4.141 9.659 170 HA3 GLY 23 HA3 GLY 23 12.596 5.358 9.923 171 H ASP 24 H ASP 24 9.591 5.716 11.392 172 HA ASP 24 HA ASP 24 10.769 5.554 13.940 173 HB2 ASP 24 HB2 ASP 24 8.115 6.227 13.055 174 HB3 ASP 24 HB3 ASP 24 8.370 5.991 14.651 175 H GLY 25 H GLY 25 9.277 3.338 11.942 176 HA2 GLY 25 HA2 GLY 25 9.057 1.092 12.393 177 HA3 GLY 25 HA3 GLY 25 9.287 1.351 13.989 178 H THR 26 H THR 26 7.057 3.331 12.455 179 HA THR 26 HA THR 26 4.830 1.759 13.268 180 HB THR 26 HB THR 26 5.477 3.232 15.192 181 HG1 THR 26 HG1 THR 26 3.558 2.921 15.774 182 HG21 THR 26 HG21 THR 26 4.880 5.549 15.069 183 HG22 THR 26 HG22 THR 26 4.451 5.374 13.519 184 HG23 THR 26 HG23 THR 26 6.004 5.238 13.949 185 H ILE 27 H ILE 27 2.691 2.636 12.577 186 HA ILE 27 HA ILE 27 2.956 4.561 10.472 187 HB ILE 27 HB ILE 27 1.394 3.364 9.028 188 HG12 ILE 27 HG12 ILE 27 1.632 1.119 10.797 189 HG13 ILE 27 HG13 ILE 27 0.347 2.127 10.825 190 HG21 ILE 27 HG21 ILE 27 2.946 1.685 8.251 191 HG22 ILE 27 HG22 ILE 27 3.787 1.815 9.626 192 HG23 ILE 27 HG23 ILE 27 3.742 3.052 8.585 193 HD11 ILE 27 HD11 ILE 27 -0.180 0.168 9.559 194 HD12 ILE 27 HD12 ILE 27 1.057 0.465 8.560 195 HD13 ILE 27 HD13 ILE 27 -0.215 1.462 8.589 196 H THR 28 H THR 28 0.820 5.686 9.939 197 HA THR 28 HA THR 28 -0.483 6.188 12.371 198 HB THR 28 HB THR 28 -1.925 7.680 10.817 199 HG1 THR 28 HG1 THR 28 -0.447 8.236 9.017 200 HG21 THR 28 HG21 THR 28 -0.260 9.398 10.918 201 HG22 THR 28 HG22 THR 28 0.880 8.297 11.238 202 HG23 THR 28 HG23 THR 28 -0.273 8.607 12.329 203 H THR 29 H THR 29 -2.658 5.839 12.984 204 HA THR 29 HA THR 29 -3.607 3.438 12.242 205 HB THR 29 HB THR 29 -5.683 4.086 13.500 206 HG1 THR 29 HG1 THR 29 -4.808 6.545 14.084 207 HG21 THR 29 HG21 THR 29 -4.638 4.693 15.577 208 HG22 THR 29 HG22 THR 29 -3.283 5.101 14.795 209 HG23 THR 29 HG23 THR 29 -3.741 3.552 14.865 210 H LYS 30 H LYS 30 -4.626 6.485 10.949 211 HA LYS 30 HA LYS 30 -6.710 5.316 9.487 212 HB2 LYS 30 HB2 LYS 30 -5.572 7.972 9.386 213 HB3 LYS 30 HB3 LYS 30 -6.784 7.554 8.375 214 HG2 LYS 30 HG2 LYS 30 -7.055 7.530 11.246 215 HG3 LYS 30 HG3 LYS 30 -7.546 8.778 10.314 216 HD2 LYS 30 HD2 LYS 30 -9.090 7.291 9.202 217 HD3 LYS 30 HD3 LYS 30 -8.644 6.101 10.229 218 HE2 LYS 30 HE2 LYS 30 -9.475 7.387 12.059 219 HE3 LYS 30 HE3 LYS 30 -9.947 8.552 11.017 220 HZ1 LYS 30 HZ1 LYS 30 -11.800 7.187 11.610 221 HZ2 LYS 30 HZ2 LYS 30 -11.026 5.877 11.062 222 HZ3 LYS 30 HZ3 LYS 30 -11.493 7.032 10.030 223 H GLU 31 H GLU 31 -3.419 5.746 8.859 224 HA GLU 31 HA GLU 31 -3.651 5.647 6.064 225 HB2 GLU 31 HB2 GLU 31 -1.737 6.587 7.182 226 HB3 GLU 31 HB3 GLU 31 -1.280 5.074 7.593 227 HG2 GLU 31 HG2 GLU 31 -0.735 4.543 5.459 228 HG3 GLU 31 HG3 GLU 31 -1.578 5.801 4.847 229 H LEU 32 H LEU 32 -3.621 3.307 8.521 230 HA LEU 32 HA LEU 32 -2.742 1.107 7.187 231 HB2 LEU 32 HB2 LEU 32 -3.725 1.458 9.543 232 HB3 LEU 32 HB3 LEU 32 -5.009 0.724 8.850 233 HG LEU 32 HG LEU 32 -2.528 -0.401 9.615 234 HD11 LEU 32 HD11 LEU 32 -4.043 -2.129 10.499 235 HD12 LEU 32 HD12 LEU 32 -5.292 -1.355 9.823 236 HD13 LEU 32 HD13 LEU 32 -4.484 -0.672 11.046 237 HD21 LEU 32 HD21 LEU 32 -2.822 -2.397 8.369 238 HD22 LEU 32 HD22 LEU 32 -2.553 -1.136 7.394 239 HD23 LEU 32 HD23 LEU 32 -4.052 -1.718 7.567 240 H GLY 33 H GLY 33 -5.858 2.638 6.995 241 HA2 GLY 33 HA2 GLY 33 -7.169 0.742 5.486 242 HA3 GLY 33 HA3 GLY 33 -7.516 2.338 5.495 243 H THR 34 H THR 34 -5.018 3.256 4.499 244 HA THR 34 HA THR 34 -5.431 2.952 1.772 245 HB THR 34 HB THR 34 -3.026 4.065 3.041 246 HG1 THR 34 HG1 THR 34 -4.144 5.668 3.666 247 HG21 THR 34 HG21 THR 34 -2.765 5.359 1.050 248 HG22 THR 34 HG22 THR 34 -4.092 4.685 0.415 249 HG23 THR 34 HG23 THR 34 -2.765 3.791 0.652 250 H VAL 35 H VAL 35 -3.061 1.710 3.994 251 HA VAL 35 HA VAL 35 -1.515 0.429 2.146 252 HB VAL 35 HB VAL 35 -1.801 -0.391 4.957 253 HG11 VAL 35 HG11 VAL 35 0.400 -1.352 4.777 254 HG12 VAL 35 HG12 VAL 35 0.459 -0.941 3.214 255 HG13 VAL 35 HG13 VAL 35 -0.594 -2.060 3.716 256 HG21 VAL 35 HG21 VAL 35 0.057 1.039 5.455 257 HG22 VAL 35 HG22 VAL 35 -1.161 1.910 4.842 258 HG23 VAL 35 HG23 VAL 35 0.105 1.525 3.913 259 H MET 36 H MET 36 -4.098 -0.873 4.138 260 HA MET 36 HA MET 36 -3.836 -3.425 3.153 261 HB2 MET 36 HB2 MET 36 -5.835 -3.976 4.267 262 HB3 MET 36 HB3 MET 36 -4.990 -2.946 5.211 263 HG2 MET 36 HG2 MET 36 -6.346 -1.205 4.569 264 HG3 MET 36 HG3 MET 36 -7.163 -2.192 3.556 265 HE1 MET 36 HE1 MET 36 -7.442 -2.327 8.081 266 HE2 MET 36 HE2 MET 36 -6.734 -1.135 7.251 267 HE3 MET 36 HE3 MET 36 -6.051 -2.599 7.305 268 H ARG 37 H ARG 37 -5.422 -0.750 1.779 269 HA ARG 37 HA ARG 37 -7.153 -2.113 0.123 270 HB2 ARG 37 HB2 ARG 37 -7.218 0.281 0.371 271 HB3 ARG 37 HB3 ARG 37 -5.863 0.390 -0.534 272 HG2 ARG 37 HG2 ARG 37 -7.195 -0.748 -2.302 273 HG3 ARG 37 HG3 ARG 37 -8.495 -0.314 -1.413 274 HD2 ARG 37 HD2 ARG 37 -8.255 1.857 -1.898 275 HD3 ARG 37 HD3 ARG 37 -6.652 1.716 -2.174 276 HE ARG 37 HE ARG 37 -7.925 0.210 -4.097 277 HH11 ARG 37 HH11 ARG 37 -7.609 3.623 -3.303 278 HH12 ARG 37 HH12 ARG 37 -7.846 4.112 -4.947 279 HH21 ARG 37 HH21 ARG 37 -8.203 0.907 -6.169 280 HH22 ARG 37 HH22 ARG 37 -8.178 2.598 -6.544 281 H SER 38 H SER 38 -3.799 -1.300 -0.201 282 HA SER 38 HA SER 38 -3.649 -2.342 -2.820 283 HB2 SER 38 HB2 SER 38 -2.174 -0.521 -1.885 284 HB3 SER 38 HB3 SER 38 -1.272 -1.747 -1.293 285 HG SER 38 HG SER 38 -0.995 -0.760 -3.561 286 H LEU 39 H LEU 39 -3.216 -3.489 0.337 287 HA LEU 39 HA LEU 39 -1.736 -5.777 -0.318 288 HB2 LEU 39 HB2 LEU 39 -1.862 -4.748 1.895 289 HB3 LEU 39 HB3 LEU 39 -3.361 -5.381 2.039 290 HG LEU 39 HG LEU 39 -2.391 -7.570 2.045 291 HD11 LEU 39 HD11 LEU 39 -0.037 -7.840 2.345 292 HD12 LEU 39 HD12 LEU 39 0.178 -6.250 2.141 293 HD13 LEU 39 HD13 LEU 39 -0.344 -7.161 0.910 294 HD21 LEU 39 HD21 LEU 39 -1.536 -7.389 4.322 295 HD22 LEU 39 HD22 LEU 39 -2.858 -6.471 4.161 296 HD23 LEU 39 HD23 LEU 39 -1.392 -5.789 4.137 297 H GLY 40 H GLY 40 -5.081 -5.024 -0.346 298 HA2 GLY 40 HA2 GLY 40 -5.977 -6.727 -2.019 299 HA3 GLY 40 HA3 GLY 40 -5.723 -7.777 -0.795 300 H GLN 41 H GLN 41 -6.910 -5.351 0.945 301 HA GLN 41 HA GLN 41 -9.611 -5.998 0.240 302 HB2 GLN 41 HB2 GLN 41 -8.833 -7.393 2.141 303 HB3 GLN 41 HB3 GLN 41 -8.813 -6.026 3.035 304 HG2 GLN 41 HG2 GLN 41 -11.147 -5.817 2.847 305 HG3 GLN 41 HG3 GLN 41 -11.210 -7.087 1.823 306 HE21 GLN 41 HE21 GLN 41 -12.495 -8.515 2.834 307 HE22 GLN 41 HE22 GLN 41 -12.148 -9.134 4.413 308 H ASN 42 H ASN 42 -11.288 -4.597 0.606 309 HA ASN 42 HA ASN 42 -10.468 -2.001 1.510 310 HB2 ASN 42 HB2 ASN 42 -11.967 -1.040 -0.149 311 HB3 ASN 42 HB3 ASN 42 -10.861 -2.001 -0.872 312 HD21 ASN 42 HD21 ASN 42 -13.814 -1.116 -1.261 313 HD22 ASN 42 HD22 ASN 42 -14.558 -2.585 -1.797 314 HA PRO 43 HA PRO 43 -14.070 -3.115 3.979 315 HB2 PRO 43 HB2 PRO 43 -13.141 -2.773 6.451 316 HB3 PRO 43 HB3 PRO 43 -12.794 -4.173 5.684 317 HG2 PRO 43 HG2 PRO 43 -11.184 -1.848 5.885 318 HG3 PRO 43 HG3 PRO 43 -10.758 -3.395 6.191 319 HD2 PRO 43 HD2 PRO 43 -10.181 -2.334 3.884 320 HD3 PRO 43 HD3 PRO 43 -10.597 -3.911 3.964 321 H THR 44 H THR 44 -15.539 -1.875 5.252 322 HA THR 44 HA THR 44 -15.323 0.824 4.507 323 HB THR 44 HB THR 44 -17.440 0.105 6.296 324 HG1 THR 44 HG1 THR 44 -18.347 -1.000 4.273 325 HG21 THR 44 HG21 THR 44 -18.814 1.152 4.638 326 HG22 THR 44 HG22 THR 44 -17.556 1.241 3.627 327 HG23 THR 44 HG23 THR 44 -17.574 2.133 4.975 328 H GLU 45 H GLU 45 -15.545 2.700 5.966 329 HA GLU 45 HA GLU 45 -13.759 2.578 8.038 330 HB2 GLU 45 HB2 GLU 45 -14.489 4.595 6.819 331 HB3 GLU 45 HB3 GLU 45 -15.802 4.617 7.790 332 HG2 GLU 45 HG2 GLU 45 -14.499 5.062 9.653 333 HG3 GLU 45 HG3 GLU 45 -13.123 4.821 8.806 334 H ALA 46 H ALA 46 -17.036 1.788 8.049 335 HA ALA 46 HA ALA 46 -17.601 2.138 10.710 336 HB1 ALA 46 HB1 ALA 46 -19.325 1.615 9.085 337 HB2 ALA 46 HB2 ALA 46 -19.432 0.576 10.320 338 HB3 ALA 46 HB3 ALA 46 -18.738 0.116 8.933 339 H GLU 47 H GLU 47 -16.118 -0.576 9.096 340 HA GLU 47 HA GLU 47 -15.973 -2.134 11.464 341 HB2 GLU 47 HB2 GLU 47 -16.101 -3.098 9.241 342 HB3 GLU 47 HB3 GLU 47 -14.561 -2.611 8.994 343 HG2 GLU 47 HG2 GLU 47 -13.730 -4.147 10.458 344 HG3 GLU 47 HG3 GLU 47 -15.194 -4.412 11.131 345 H LEU 48 H LEU 48 -13.993 0.125 9.848 346 HA LEU 48 HA LEU 48 -11.618 -0.429 11.096 347 HB2 LEU 48 HB2 LEU 48 -12.603 1.732 9.633 348 HB3 LEU 48 HB3 LEU 48 -11.548 2.228 10.777 349 HG LEU 48 HG LEU 48 -9.941 0.694 9.745 350 HD11 LEU 48 HD11 LEU 48 -10.288 0.122 7.456 351 HD12 LEU 48 HD12 LEU 48 -11.788 0.722 7.529 352 HD13 LEU 48 HD13 LEU 48 -11.399 -0.591 8.390 353 HD21 LEU 48 HD21 LEU 48 -9.347 2.359 8.066 354 HD22 LEU 48 HD22 LEU 48 -9.786 3.096 9.436 355 HD23 LEU 48 HD23 LEU 48 -10.821 3.009 8.196 356 H GLN 49 H GLN 49 -14.417 1.225 12.198 357 HA GLN 49 HA GLN 49 -13.359 2.671 14.243 358 HB2 GLN 49 HB2 GLN 49 -15.667 2.830 13.591 359 HB3 GLN 49 HB3 GLN 49 -15.952 1.376 14.278 360 HG2 GLN 49 HG2 GLN 49 -15.621 2.240 16.403 361 HG3 GLN 49 HG3 GLN 49 -15.086 3.658 15.795 362 HE21 GLN 49 HE21 GLN 49 -16.592 4.721 17.190 363 HE22 GLN 49 HE22 GLN 49 -18.249 4.829 16.695 364 H ASP 50 H ASP 50 -14.444 -0.652 14.309 365 HA ASP 50 HA ASP 50 -13.821 -0.980 17.004 366 HB2 ASP 50 HB2 ASP 50 -14.336 -2.965 14.960 367 HB3 ASP 50 HB3 ASP 50 -14.139 -3.375 16.529 368 H MET 51 H MET 51 -12.096 -1.656 14.076 369 HA MET 51 HA MET 51 -10.062 -3.067 15.298 370 HB2 MET 51 HB2 MET 51 -10.026 -1.688 12.751 371 HB3 MET 51 HB3 MET 51 -8.821 -2.687 13.218 372 HG2 MET 51 HG2 MET 51 -10.476 -4.412 13.392 373 HG3 MET 51 HG3 MET 51 -11.513 -3.387 12.657 374 HE1 MET 51 HE1 MET 51 -10.261 -3.109 9.059 375 HE2 MET 51 HE2 MET 51 -10.179 -2.050 10.277 376 HE3 MET 51 HE3 MET 51 -11.536 -2.894 10.029 377 H ILE 52 H ILE 52 -10.407 0.325 14.730 378 HA ILE 52 HA ILE 52 -7.776 0.900 15.548 379 HB ILE 52 HB ILE 52 -9.989 2.736 15.103 380 HG12 ILE 52 HG12 ILE 52 -7.591 2.432 13.517 381 HG13 ILE 52 HG13 ILE 52 -8.965 1.620 13.171 382 HG21 ILE 52 HG21 ILE 52 -8.419 4.574 15.294 383 HG22 ILE 52 HG22 ILE 52 -7.246 3.539 15.703 384 HG23 ILE 52 HG23 ILE 52 -8.496 3.780 16.700 385 HD11 ILE 52 HD11 ILE 52 -8.762 3.530 11.737 386 HD12 ILE 52 HD12 ILE 52 -8.702 4.508 13.024 387 HD13 ILE 52 HD13 ILE 52 -10.063 3.704 12.682 388 H ASN 53 H ASN 53 -10.900 0.849 17.080 389 HA ASN 53 HA ASN 53 -10.255 2.069 19.407 390 HB2 ASN 53 HB2 ASN 53 -12.165 -0.019 18.856 391 HB3 ASN 53 HB3 ASN 53 -11.978 0.455 20.408 392 HD21 ASN 53 HD21 ASN 53 -14.380 0.569 19.047 393 HD22 ASN 53 HD22 ASN 53 -14.814 2.239 18.893 394 H GLU 54 H GLU 54 -9.764 -1.250 18.516 395 HA GLU 54 HA GLU 54 -8.949 -2.114 20.990 396 HB2 GLU 54 HB2 GLU 54 -9.540 -3.404 18.857 397 HB3 GLU 54 HB3 GLU 54 -7.922 -3.410 18.635 398 HG2 GLU 54 HG2 GLU 54 -8.350 -5.423 19.627 399 HG3 GLU 54 HG3 GLU 54 -7.773 -4.499 20.844 400 H VAL 55 H VAL 55 -7.000 -0.804 18.400 401 HA VAL 55 HA VAL 55 -4.617 -1.360 19.818 402 HB VAL 55 HB VAL 55 -4.716 -1.326 17.331 403 HG11 VAL 55 HG11 VAL 55 -4.403 0.748 16.194 404 HG12 VAL 55 HG12 VAL 55 -4.567 1.543 17.591 405 HG13 VAL 55 HG13 VAL 55 -5.821 0.734 16.971 406 HG21 VAL 55 HG21 VAL 55 -2.444 -0.556 17.048 407 HG22 VAL 55 HG22 VAL 55 -2.564 -1.465 18.380 408 HG23 VAL 55 HG23 VAL 55 -2.501 0.146 18.504 409 H ASP 56 H ASP 56 -6.796 1.191 19.745 410 HA ASP 56 HA ASP 56 -5.071 3.207 20.574 411 HB2 ASP 56 HB2 ASP 56 -7.854 2.989 20.278 412 HB3 ASP 56 HB3 ASP 56 -7.447 3.989 21.504 413 H ALA 57 H ALA 57 -5.909 0.498 22.127 414 HA ALA 57 HA ALA 57 -6.256 1.280 24.726 415 HB1 ALA 57 HB1 ALA 57 -6.596 -1.015 23.995 416 HB2 ALA 57 HB2 ALA 57 -5.603 -1.013 25.272 417 HB3 ALA 57 HB3 ALA 57 -5.002 -1.190 23.780 418 H ASP 58 H ASP 58 -3.390 1.064 22.855 419 HA ASP 58 HA ASP 58 -1.581 1.204 24.976 420 HB2 ASP 58 HB2 ASP 58 -1.250 1.772 22.160 421 HB3 ASP 58 HB3 ASP 58 0.010 1.873 23.193 422 H GLY 59 H GLY 59 -3.497 3.495 23.434 423 HA2 GLY 59 HA2 GLY 59 -3.884 5.610 24.112 424 HA3 GLY 59 HA3 GLY 59 -2.713 5.492 25.244 425 H ASN 60 H ASN 60 -1.201 4.740 22.468 426 HA ASN 60 HA ASN 60 -0.245 7.415 22.282 427 HB2 ASN 60 HB2 ASN 60 0.934 4.957 21.299 428 HB3 ASN 60 HB3 ASN 60 1.607 6.407 20.967 429 HD21 ASN 60 HD21 ASN 60 1.305 7.739 23.354 430 HD22 ASN 60 HD22 ASN 60 2.296 6.960 24.542 431 H GLY 61 H GLY 61 -2.265 5.439 20.497 432 HA2 GLY 61 HA2 GLY 61 -3.452 6.027 18.669 433 HA3 GLY 61 HA3 GLY 61 -2.769 7.512 18.693 434 H THR 62 H THR 62 -0.856 4.711 18.397 435 HA THR 62 HA THR 62 -0.419 5.219 15.589 436 HB THR 62 HB THR 62 1.988 4.699 16.009 437 HG1 THR 62 HG1 THR 62 2.709 4.808 18.113 438 HG21 THR 62 HG21 THR 62 2.546 6.874 16.862 439 HG22 THR 62 HG22 THR 62 1.032 7.073 17.392 440 HG23 THR 62 HG23 THR 62 1.334 7.034 15.804 441 H ILE 63 H ILE 63 0.720 3.226 14.515 442 HA ILE 63 HA ILE 63 -0.050 0.833 15.938 443 HB ILE 63 HB ILE 63 -0.208 1.107 13.048 444 HG12 ILE 63 HG12 ILE 63 -2.350 0.690 14.925 445 HG13 ILE 63 HG13 ILE 63 -2.014 2.131 14.233 446 HG21 ILE 63 HG21 ILE 63 -0.995 -1.189 13.030 447 HG22 ILE 63 HG22 ILE 63 -0.768 -1.288 14.628 448 HG23 ILE 63 HG23 ILE 63 0.502 -1.139 13.639 449 HD11 ILE 63 HD11 ILE 63 -3.865 1.112 13.140 450 HD12 ILE 63 HD12 ILE 63 -2.964 -0.184 12.788 451 HD13 ILE 63 HD13 ILE 63 -2.631 1.243 12.103 452 H ASP 64 H ASP 64 1.871 0.182 16.769 453 HA ASP 64 HA ASP 64 4.268 0.578 15.328 454 HB2 ASP 64 HB2 ASP 64 3.857 -0.786 17.836 455 HB3 ASP 64 HB3 ASP 64 5.321 -0.378 17.241 456 H PHE 65 H PHE 65 5.844 -1.210 14.868 457 HA PHE 65 HA PHE 65 4.606 -2.923 13.252 458 HB2 PHE 65 HB2 PHE 65 6.776 -3.982 12.898 459 HB3 PHE 65 HB3 PHE 65 6.953 -2.363 13.020 460 HD1 PHE 65 HD1 PHE 65 7.729 -5.485 14.530 461 HD2 PHE 65 HD2 PHE 65 8.020 -1.358 15.007 462 HE1 PHE 65 HE1 PHE 65 9.329 -5.807 16.311 463 HE2 PHE 65 HE2 PHE 65 9.617 -1.669 16.786 464 HZ PHE 65 HZ PHE 65 10.263 -3.895 17.454 465 HA PRO 66 HA PRO 66 4.669 -6.579 15.813 466 HB2 PRO 66 HB2 PRO 66 4.462 -6.538 18.471 467 HB3 PRO 66 HB3 PRO 66 5.944 -6.502 17.788 468 HG2 PRO 66 HG2 PRO 66 4.434 -4.368 18.828 469 HG3 PRO 66 HG3 PRO 66 6.035 -4.654 18.978 470 HD2 PRO 66 HD2 PRO 66 5.075 -2.915 17.225 471 HD3 PRO 66 HD3 PRO 66 6.507 -3.667 17.002 472 H GLU 67 H GLU 67 2.746 -3.959 16.950 473 HA GLU 67 HA GLU 67 0.463 -5.510 17.380 474 HB2 GLU 67 HB2 GLU 67 0.802 -2.684 16.988 475 HB3 GLU 67 HB3 GLU 67 -0.700 -3.311 17.107 476 HG2 GLU 67 HG2 GLU 67 0.015 -2.465 19.197 477 HG3 GLU 67 HG3 GLU 67 -0.220 -4.078 19.288 478 H PHE 68 H PHE 68 1.766 -3.807 14.671 479 HA PHE 68 HA PHE 68 -0.291 -4.087 12.891 480 HB2 PHE 68 HB2 PHE 68 1.697 -2.799 12.463 481 HB3 PHE 68 HB3 PHE 68 2.535 -4.186 12.261 482 HD1 PHE 68 HD1 PHE 68 0.068 -2.057 10.755 483 HD2 PHE 68 HD2 PHE 68 2.467 -5.404 10.190 484 HE1 PHE 68 HE1 PHE 68 -0.422 -2.005 8.391 485 HE2 PHE 68 HE2 PHE 68 1.970 -5.375 7.828 486 HZ PHE 68 HZ PHE 68 0.529 -3.667 6.923 487 H LEU 69 H LEU 69 2.299 -6.286 13.628 488 HA LEU 69 HA LEU 69 1.555 -8.250 11.838 489 HB2 LEU 69 HB2 LEU 69 3.368 -8.039 13.980 490 HB3 LEU 69 HB3 LEU 69 2.814 -9.566 13.804 491 HG LEU 69 HG LEU 69 4.088 -8.186 11.641 492 HD11 LEU 69 HD11 LEU 69 6.139 -9.303 12.249 493 HD12 LEU 69 HD12 LEU 69 5.424 -9.894 13.573 494 HD13 LEU 69 HD13 LEU 69 5.679 -8.304 13.434 495 HD21 LEU 69 HD21 LEU 69 4.428 -10.401 10.756 496 HD22 LEU 69 HD22 LEU 69 2.850 -10.134 10.988 497 HD23 LEU 69 HD23 LEU 69 3.682 -11.033 12.044 498 H THR 70 H THR 70 0.818 -7.825 15.193 499 HA THR 70 HA THR 70 -0.471 -10.244 15.461 500 HB THR 70 HB THR 70 -0.777 -7.891 17.204 501 HG1 THR 70 HG1 THR 70 1.395 -8.615 16.863 502 HG21 THR 70 HG21 THR 70 -1.314 -9.432 18.960 503 HG22 THR 70 HG22 THR 70 -1.162 -10.677 17.939 504 HG23 THR 70 HG23 THR 70 -2.379 -9.628 17.760 505 H MET 71 H MET 71 -1.795 -7.063 14.903 506 HA MET 71 HA MET 71 -4.406 -7.912 15.151 507 HB2 MET 71 HB2 MET 71 -3.344 -5.554 13.861 508 HB3 MET 71 HB3 MET 71 -4.956 -5.794 13.971 509 HG2 MET 71 HG2 MET 71 -4.654 -5.901 16.346 510 HG3 MET 71 HG3 MET 71 -3.131 -5.366 16.095 511 HE1 MET 71 HE1 MET 71 -3.527 -1.845 14.711 512 HE2 MET 71 HE2 MET 71 -3.146 -3.221 13.951 513 HE3 MET 71 HE3 MET 71 -2.492 -2.885 15.392 514 H MET 72 H MET 72 -2.341 -7.710 12.362 515 HA MET 72 HA MET 72 -4.361 -8.150 10.514 516 HB2 MET 72 HB2 MET 72 -1.970 -7.499 10.105 517 HB3 MET 72 HB3 MET 72 -1.729 -9.107 9.967 518 HG2 MET 72 HG2 MET 72 -2.017 -8.403 7.873 519 HG3 MET 72 HG3 MET 72 -3.422 -9.128 8.285 520 HE1 MET 72 HE1 MET 72 -2.721 -4.697 7.645 521 HE2 MET 72 HE2 MET 72 -1.765 -5.891 7.122 522 HE3 MET 72 HE3 MET 72 -1.846 -5.553 8.701 523 H ALA 73 H ALA 73 -2.368 -10.280 12.369 524 HA ALA 73 HA ALA 73 -3.137 -12.633 11.175 525 HB1 ALA 73 HB1 ALA 73 -1.212 -12.500 12.656 526 HB2 ALA 73 HB2 ALA 73 -2.174 -13.704 13.145 527 HB3 ALA 73 HB3 ALA 73 -2.196 -12.286 13.922 528 H ARG 74 H ARG 74 -4.758 -10.729 13.502 529 HA ARG 74 HA ARG 74 -6.440 -12.688 14.458 530 HB2 ARG 74 HB2 ARG 74 -6.714 -9.802 14.445 531 HB3 ARG 74 HB3 ARG 74 -7.872 -10.723 15.136 532 HG2 ARG 74 HG2 ARG 74 -5.152 -10.790 16.045 533 HG3 ARG 74 HG3 ARG 74 -6.247 -9.755 16.676 534 HD2 ARG 74 HD2 ARG 74 -6.468 -12.638 16.790 535 HD3 ARG 74 HD3 ARG 74 -6.075 -11.688 18.058 536 HE ARG 74 HE ARG 74 -8.678 -12.149 17.024 537 HH11 ARG 74 HH11 ARG 74 -10.420 -11.321 18.094 538 HH12 ARG 74 HH12 ARG 74 -10.211 -10.153 19.356 539 HH21 ARG 74 HH21 ARG 74 -6.782 -10.028 19.110 540 HH22 ARG 74 HH22 ARG 74 -8.193 -9.436 19.921 541 H LYS 75 H LYS 75 -6.488 -11.253 11.463 542 HA LYS 75 HA LYS 75 -9.248 -11.310 11.002 543 HB2 LYS 75 HB2 LYS 75 -7.534 -10.128 9.654 544 HB3 LYS 75 HB3 LYS 75 -7.309 -11.556 8.896 545 HG2 LYS 75 HG2 LYS 75 -8.721 -10.304 7.547 546 HG3 LYS 75 HG3 LYS 75 -9.642 -11.475 8.218 547 HD2 LYS 75 HD2 LYS 75 -10.482 -9.925 9.810 548 HD3 LYS 75 HD3 LYS 75 -9.525 -8.753 9.192 549 HE2 LYS 75 HE2 LYS 75 -10.741 -8.828 7.154 550 HE3 LYS 75 HE3 LYS 75 -11.690 -10.012 7.759 551 HZ1 LYS 75 HZ1 LYS 75 -12.799 -7.908 7.930 552 HZ2 LYS 75 HZ2 LYS 75 -11.575 -7.324 8.810 553 HZ3 LYS 75 HZ3 LYS 75 -12.514 -8.495 9.409 554 H MET 76 H MET 76 -6.727 -13.599 10.798 555 HA MET 76 HA MET 76 -8.352 -15.667 9.657 556 HB2 MET 76 HB2 MET 76 -6.052 -15.547 9.064 557 HB3 MET 76 HB3 MET 76 -5.637 -15.783 10.626 558 HG2 MET 76 HG2 MET 76 -5.331 -17.704 9.373 559 HG3 MET 76 HG3 MET 76 -6.409 -17.925 10.579 560 HE1 MET 76 HE1 MET 76 -7.396 -17.734 6.132 561 HE2 MET 76 HE2 MET 76 -5.902 -17.879 6.732 562 HE3 MET 76 HE3 MET 76 -6.711 -16.490 6.907 563 H LYS 77 H LYS 77 -8.997 -17.594 10.828 564 HA LYS 77 HA LYS 77 -8.798 -17.354 13.712 565 HB2 LYS 77 HB2 LYS 77 -10.970 -16.641 12.870 566 HB3 LYS 77 HB3 LYS 77 -11.191 -18.161 12.316 567 HG2 LYS 77 HG2 LYS 77 -11.199 -18.975 14.540 568 HG3 LYS 77 HG3 LYS 77 -10.965 -17.458 15.099 569 HD2 LYS 77 HD2 LYS 77 -13.228 -17.775 15.305 570 HD3 LYS 77 HD3 LYS 77 -13.082 -16.882 13.946 571 HE2 LYS 77 HE2 LYS 77 -13.071 -19.077 12.762 572 HE3 LYS 77 HE3 LYS 77 -13.701 -19.668 14.148 573 HZ1 LYS 77 HZ1 LYS 77 -15.428 -19.165 12.614 574 HZ2 LYS 77 HZ2 LYS 77 -14.934 -17.628 12.542 575 HZ3 LYS 77 HZ3 LYS 77 -15.560 -18.213 13.913 576 H ASP 78 H ASP 78 -8.209 -19.212 14.803 577 HA ASP 78 HA ASP 78 -7.511 -21.409 13.211 578 HB2 ASP 78 HB2 ASP 78 -6.766 -22.469 15.144 579 HB3 ASP 78 HB3 ASP 78 -6.297 -20.905 15.199 580 H THR 79 H THR 79 -8.444 -23.547 13.202 581 HA THR 79 HA THR 79 -10.280 -24.759 12.814 582 HB THR 79 HB THR 79 -11.670 -25.295 14.782 583 HG1 THR 79 HG1 THR 79 -10.275 -23.940 16.542 584 HG21 THR 79 HG21 THR 79 -9.848 -26.172 16.112 585 HG22 THR 79 HG22 THR 79 -8.807 -25.187 15.362 586 HG23 THR 79 HG23 THR 79 -9.495 -26.405 14.552 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -6.235 -21.848 9.597 2 H2 ALA 1 H2 ALA 1 -6.881 -22.165 8.149 3 H3 ALA 1 H3 ALA 1 -6.347 -20.676 8.488 4 HA ALA 1 HA ALA 1 -4.140 -21.454 8.574 5 HB1 ALA 1 HB1 ALA 1 -4.578 -23.736 9.329 6 HB2 ALA 1 HB2 ALA 1 -3.626 -23.779 8.023 7 HB3 ALA 1 HB3 ALA 1 -5.205 -24.098 7.883 8 H ASP 2 H ASP 2 -2.887 -22.449 6.478 9 HA ASP 2 HA ASP 2 -2.537 -22.086 4.310 10 HB2 ASP 2 HB2 ASP 2 -5.331 -22.843 4.036 11 HB3 ASP 2 HB3 ASP 2 -4.250 -22.927 2.814 12 H GLN 3 H GLN 3 -2.952 -19.758 5.600 13 HA GLN 3 HA GLN 3 -3.843 -17.990 3.471 14 HB2 GLN 3 HB2 GLN 3 -5.658 -18.274 5.033 15 HB3 GLN 3 HB3 GLN 3 -4.687 -17.661 6.195 16 HG2 GLN 3 HG2 GLN 3 -6.146 -15.995 5.488 17 HG3 GLN 3 HG3 GLN 3 -4.636 -15.590 5.018 18 HE21 GLN 3 HE21 GLN 3 -7.784 -16.297 4.019 19 HE22 GLN 3 HE22 GLN 3 -7.532 -16.071 2.321 20 H LEU 4 H LEU 4 -2.588 -16.000 3.522 21 HA LEU 4 HA LEU 4 -0.658 -14.940 3.839 22 HB2 LEU 4 HB2 LEU 4 -1.392 -15.424 6.517 23 HB3 LEU 4 HB3 LEU 4 0.136 -14.897 6.284 24 HG LEU 4 HG LEU 4 -0.851 -13.011 5.081 25 HD11 LEU 4 HD11 LEU 4 -3.098 -12.403 5.584 26 HD12 LEU 4 HD12 LEU 4 -3.315 -13.818 6.337 27 HD13 LEU 4 HD13 LEU 4 -3.054 -13.781 4.742 28 HD21 LEU 4 HD21 LEU 4 -1.269 -11.808 7.164 29 HD22 LEU 4 HD22 LEU 4 0.039 -12.745 7.318 30 HD23 LEU 4 HD23 LEU 4 -1.373 -13.218 7.947 31 H THR 5 H THR 5 0.020 -16.898 2.511 32 HA THR 5 HA THR 5 1.687 -18.764 3.733 33 HB THR 5 HB THR 5 2.351 -19.347 1.429 34 HG1 THR 5 HG1 THR 5 1.415 -18.238 -0.247 35 HG21 THR 5 HG21 THR 5 0.170 -20.079 0.722 36 HG22 THR 5 HG22 THR 5 -0.529 -19.061 1.766 37 HG23 THR 5 HG23 THR 5 0.304 -20.334 2.313 38 H GLU 6 H GLU 6 4.096 -18.996 3.229 39 HA GLU 6 HA GLU 6 5.353 -16.758 4.097 40 HB2 GLU 6 HB2 GLU 6 6.550 -18.978 2.647 41 HB3 GLU 6 HB3 GLU 6 7.427 -17.920 3.530 42 HG2 GLU 6 HG2 GLU 6 6.330 -18.692 5.501 43 HG3 GLU 6 HG3 GLU 6 5.518 -19.787 4.601 44 H GLU 7 H GLU 7 4.873 -17.717 0.819 45 HA GLU 7 HA GLU 7 6.615 -15.840 -0.256 46 HB2 GLU 7 HB2 GLU 7 5.523 -16.326 -2.365 47 HB3 GLU 7 HB3 GLU 7 6.004 -17.673 -1.576 48 HG2 GLU 7 HG2 GLU 7 3.754 -18.019 -0.851 49 HG3 GLU 7 HG3 GLU 7 3.295 -16.714 -1.720 50 H GLN 8 H GLN 8 3.368 -15.582 0.785 51 HA GLN 8 HA GLN 8 2.865 -13.155 -0.547 52 HB2 GLN 8 HB2 GLN 8 1.418 -14.452 1.599 53 HB3 GLN 8 HB3 GLN 8 0.871 -13.091 0.880 54 HG2 GLN 8 HG2 GLN 8 0.547 -14.208 -1.136 55 HG3 GLN 8 HG3 GLN 8 1.296 -15.543 -0.569 56 HE21 GLN 8 HE21 GLN 8 -1.336 -15.273 -1.753 57 HE22 GLN 8 HE22 GLN 8 -2.437 -15.886 -0.565 58 H ILE 9 H ILE 9 4.351 -14.003 2.382 59 HA ILE 9 HA ILE 9 3.981 -11.645 3.749 60 HB ILE 9 HB ILE 9 6.292 -13.405 4.055 61 HG12 ILE 9 HG12 ILE 9 4.385 -14.696 4.365 62 HG13 ILE 9 HG13 ILE 9 5.122 -14.502 5.809 63 HG21 ILE 9 HG21 ILE 9 6.503 -12.528 6.314 64 HG22 ILE 9 HG22 ILE 9 5.269 -11.520 6.038 65 HG23 ILE 9 HG23 ILE 9 6.662 -11.330 5.239 66 HD11 ILE 9 HD11 ILE 9 2.747 -14.337 6.077 67 HD12 ILE 9 HD12 ILE 9 2.696 -13.111 5.024 68 HD13 ILE 9 HD13 ILE 9 3.427 -12.919 6.453 69 H ALA 10 H ALA 10 6.199 -12.543 1.282 70 HA ALA 10 HA ALA 10 8.012 -10.495 1.589 71 HB1 ALA 10 HB1 ALA 10 8.465 -12.387 0.149 72 HB2 ALA 10 HB2 ALA 10 8.703 -11.021 -0.684 73 HB3 ALA 10 HB3 ALA 10 7.343 -11.872 -0.896 74 H GLU 11 H GLU 11 5.150 -10.659 -0.390 75 HA GLU 11 HA GLU 11 5.366 -8.108 -1.484 76 HB2 GLU 11 HB2 GLU 11 3.941 -9.825 -2.390 77 HB3 GLU 11 HB3 GLU 11 2.962 -9.680 -1.091 78 HG2 GLU 11 HG2 GLU 11 2.232 -7.620 -1.770 79 HG3 GLU 11 HG3 GLU 11 3.392 -7.520 -2.916 80 H PHE 12 H PHE 12 3.698 -9.352 1.268 81 HA PHE 12 HA PHE 12 2.395 -7.108 2.051 82 HB2 PHE 12 HB2 PHE 12 2.029 -9.223 3.101 83 HB3 PHE 12 HB3 PHE 12 3.532 -9.184 3.740 84 HD1 PHE 12 HD1 PHE 12 0.238 -7.868 4.020 85 HD2 PHE 12 HD2 PHE 12 4.021 -7.920 5.733 86 HE1 PHE 12 HE1 PHE 12 -0.642 -6.772 5.984 87 HE2 PHE 12 HE2 PHE 12 3.165 -6.825 7.696 88 HZ PHE 12 HZ PHE 12 0.838 -6.233 7.821 89 H LYS 13 H LYS 13 5.620 -8.110 2.864 90 HA LYS 13 HA LYS 13 6.137 -6.043 4.611 91 HB2 LYS 13 HB2 LYS 13 7.469 -8.073 4.449 92 HB3 LYS 13 HB3 LYS 13 8.115 -7.497 3.063 93 HG2 LYS 13 HG2 LYS 13 9.088 -5.703 4.283 94 HG3 LYS 13 HG3 LYS 13 8.476 -6.326 5.663 95 HD2 LYS 13 HD2 LYS 13 9.797 -8.264 5.374 96 HD3 LYS 13 HD3 LYS 13 10.410 -7.640 3.994 97 HE2 LYS 13 HE2 LYS 13 11.335 -5.826 5.248 98 HE3 LYS 13 HE3 LYS 13 10.760 -6.497 6.620 99 HZ1 LYS 13 HZ1 LYS 13 13.056 -7.017 6.358 100 HZ2 LYS 13 HZ2 LYS 13 12.747 -7.709 4.929 101 HZ3 LYS 13 HZ3 LYS 13 12.177 -8.373 6.289 102 H GLU 14 H GLU 14 6.592 -6.254 1.183 103 HA GLU 14 HA GLU 14 8.098 -3.952 0.923 104 HB2 GLU 14 HB2 GLU 14 7.791 -5.613 -0.824 105 HB3 GLU 14 HB3 GLU 14 6.323 -4.958 -1.114 106 HG2 GLU 14 HG2 GLU 14 7.272 -2.985 -1.869 107 HG3 GLU 14 HG3 GLU 14 8.755 -3.444 -1.361 108 H ALA 15 H ALA 15 4.634 -4.423 0.860 109 HA ALA 15 HA ALA 15 4.053 -1.755 0.396 110 HB1 ALA 15 HB1 ALA 15 2.404 -3.460 0.028 111 HB2 ALA 15 HB2 ALA 15 1.790 -2.328 1.005 112 HB3 ALA 15 HB3 ALA 15 2.314 -3.728 1.620 113 H PHE 16 H PHE 16 4.507 -3.544 3.327 114 HA PHE 16 HA PHE 16 3.539 -1.642 5.077 115 HB2 PHE 16 HB2 PHE 16 4.126 -3.975 5.614 116 HB3 PHE 16 HB3 PHE 16 5.672 -3.467 5.749 117 HD1 PHE 16 HD1 PHE 16 6.300 -1.872 7.589 118 HD2 PHE 16 HD2 PHE 16 2.559 -3.691 7.391 119 HE1 PHE 16 HE1 PHE 16 5.901 -1.290 9.892 120 HE2 PHE 16 HE2 PHE 16 2.164 -3.142 9.707 121 HZ PHE 16 HZ PHE 16 3.836 -1.940 10.962 122 H SER 17 H SER 17 6.601 -2.026 3.595 123 HA SER 17 HA SER 17 8.007 -0.176 5.036 124 HB2 SER 17 HB2 SER 17 9.000 -1.824 3.475 125 HB3 SER 17 HB3 SER 17 8.583 -0.828 2.251 126 HG SER 17 HG SER 17 10.614 -0.318 2.640 127 H LEU 18 H LEU 18 5.533 0.455 2.955 128 HA LEU 18 HA LEU 18 6.486 2.996 2.161 129 HB2 LEU 18 HB2 LEU 18 3.828 1.891 1.827 130 HB3 LEU 18 HB3 LEU 18 4.363 3.235 1.068 131 HG LEU 18 HG LEU 18 5.405 0.610 0.537 132 HD11 LEU 18 HD11 LEU 18 4.074 0.688 -1.490 133 HD12 LEU 18 HD12 LEU 18 3.451 2.105 -1.023 134 HD13 LEU 18 HD13 LEU 18 3.108 0.760 -0.194 135 HD21 LEU 18 HD21 LEU 18 6.429 1.585 -1.387 136 HD22 LEU 18 HD22 LEU 18 6.977 2.294 -0.042 137 HD23 LEU 18 HD23 LEU 18 5.869 3.039 -0.955 138 H PHE 19 H PHE 19 4.876 1.713 4.798 139 HA PHE 19 HA PHE 19 3.835 4.276 5.492 140 HB2 PHE 19 HB2 PHE 19 2.752 1.679 6.279 141 HB3 PHE 19 HB3 PHE 19 2.064 3.092 6.722 142 HD1 PHE 19 HD1 PHE 19 1.014 4.556 4.970 143 HD2 PHE 19 HD2 PHE 19 2.228 0.657 4.195 144 HE1 PHE 19 HE1 PHE 19 -0.291 4.560 2.945 145 HE2 PHE 19 HE2 PHE 19 0.929 0.643 2.163 146 HZ PHE 19 HZ PHE 19 -0.351 2.594 1.542 147 H ASP 20 H ASP 20 6.183 2.313 6.536 148 HA ASP 20 HA ASP 20 6.027 2.976 9.314 149 HB2 ASP 20 HB2 ASP 20 8.051 1.856 9.604 150 HB3 ASP 20 HB3 ASP 20 7.002 0.924 8.766 151 H LYS 21 H LYS 21 5.641 5.185 8.438 152 HA LYS 21 HA LYS 21 7.586 6.649 7.162 153 HB2 LYS 21 HB2 LYS 21 5.099 6.975 7.321 154 HB3 LYS 21 HB3 LYS 21 5.373 7.641 8.788 155 HG2 LYS 21 HG2 LYS 21 6.459 9.442 7.793 156 HG3 LYS 21 HG3 LYS 21 6.270 8.765 6.319 157 HD2 LYS 21 HD2 LYS 21 3.890 8.807 6.656 158 HD3 LYS 21 HD3 LYS 21 4.134 9.602 8.061 159 HE2 LYS 21 HE2 LYS 21 5.031 11.431 6.894 160 HE3 LYS 21 HE3 LYS 21 4.859 10.632 5.480 161 HZ1 LYS 21 HZ1 LYS 21 3.019 12.107 5.813 162 HZ2 LYS 21 HZ2 LYS 21 2.672 11.365 7.208 163 HZ3 LYS 21 HZ3 LYS 21 2.502 10.574 5.808 164 H ASP 22 H ASP 22 7.108 6.119 10.443 165 HA ASP 22 HA ASP 22 8.613 8.373 11.198 166 HB2 ASP 22 HB2 ASP 22 7.497 6.227 12.750 167 HB3 ASP 22 HB3 ASP 22 8.392 7.401 13.449 168 H GLY 23 H GLY 23 9.424 5.388 10.068 169 HA2 GLY 23 HA2 GLY 23 11.539 4.770 9.525 170 HA3 GLY 23 HA3 GLY 23 12.163 5.966 10.446 171 H ASP 24 H ASP 24 10.137 4.294 12.349 172 HA ASP 24 HA ASP 24 12.312 2.785 13.433 173 HB2 ASP 24 HB2 ASP 24 11.156 2.880 15.540 174 HB3 ASP 24 HB3 ASP 24 11.282 4.390 14.930 175 H GLY 25 H GLY 25 9.729 2.235 11.580 176 HA2 GLY 25 HA2 GLY 25 9.154 0.093 10.874 177 HA3 GLY 25 HA3 GLY 25 9.672 -0.549 12.285 178 H THR 26 H THR 26 7.955 2.010 13.151 179 HA THR 26 HA THR 26 5.575 0.477 13.654 180 HB THR 26 HB THR 26 6.167 3.101 14.786 181 HG1 THR 26 HG1 THR 26 7.904 2.057 15.459 182 HG21 THR 26 HG21 THR 26 4.812 2.403 16.608 183 HG22 THR 26 HG22 THR 26 4.598 0.955 15.921 184 HG23 THR 26 HG23 THR 26 3.955 2.276 15.243 185 H ILE 27 H ILE 27 3.438 1.294 13.081 186 HA ILE 27 HA ILE 27 3.565 3.449 11.176 187 HB ILE 27 HB ILE 27 1.724 2.494 9.937 188 HG12 ILE 27 HG12 ILE 27 1.783 0.179 11.629 189 HG13 ILE 27 HG13 ILE 27 0.744 1.408 11.912 190 HG21 ILE 27 HG21 ILE 27 2.853 0.585 9.024 191 HG22 ILE 27 HG22 ILE 27 3.854 0.562 10.294 192 HG23 ILE 27 HG23 ILE 27 3.905 1.793 9.249 193 HD11 ILE 27 HD11 ILE 27 -0.347 -0.322 10.711 194 HD12 ILE 27 HD12 ILE 27 0.743 -0.203 9.521 195 HD13 ILE 27 HD13 ILE 27 -0.286 1.013 9.802 196 H THR 28 H THR 28 1.405 4.686 10.934 197 HA THR 28 HA THR 28 0.396 5.026 13.572 198 HB THR 28 HB THR 28 -0.535 7.166 12.771 199 HG1 THR 28 HG1 THR 28 0.009 6.051 10.420 200 HG21 THR 28 HG21 THR 28 1.548 8.298 12.371 201 HG22 THR 28 HG22 THR 28 2.274 6.885 12.065 202 HG23 THR 28 HG23 THR 28 1.764 7.224 13.561 203 H THR 29 H THR 29 -1.848 5.011 14.120 204 HA THR 29 HA THR 29 -3.425 3.249 12.770 205 HB THR 29 HB THR 29 -5.302 4.302 14.119 206 HG1 THR 29 HG1 THR 29 -4.345 6.371 14.097 207 HG21 THR 29 HG21 THR 29 -4.461 3.587 16.233 208 HG22 THR 29 HG22 THR 29 -2.954 3.569 15.648 209 HG23 THR 29 HG23 THR 29 -4.042 2.499 15.112 210 H LYS 30 H LYS 30 -2.894 6.540 12.339 211 HA LYS 30 HA LYS 30 -5.150 7.267 10.978 212 HB2 LYS 30 HB2 LYS 30 -2.475 8.374 10.705 213 HB3 LYS 30 HB3 LYS 30 -3.830 9.166 10.249 214 HG2 LYS 30 HG2 LYS 30 -4.527 9.258 12.531 215 HG3 LYS 30 HG3 LYS 30 -3.151 8.499 12.974 216 HD2 LYS 30 HD2 LYS 30 -2.772 10.720 13.386 217 HD3 LYS 30 HD3 LYS 30 -1.938 10.389 12.021 218 HE2 LYS 30 HE2 LYS 30 -3.678 11.345 10.716 219 HE3 LYS 30 HE3 LYS 30 -4.535 11.653 12.071 220 HZ1 LYS 30 HZ1 LYS 30 -3.412 13.612 11.354 221 HZ2 LYS 30 HZ2 LYS 30 -1.992 12.846 11.451 222 HZ3 LYS 30 HZ3 LYS 30 -2.840 13.151 12.793 223 H GLU 31 H GLU 31 -2.451 5.536 9.873 224 HA GLU 31 HA GLU 31 -3.489 5.667 7.183 225 HB2 GLU 31 HB2 GLU 31 -0.706 5.315 7.890 226 HB3 GLU 31 HB3 GLU 31 -1.266 5.335 6.355 227 HG2 GLU 31 HG2 GLU 31 -2.078 7.635 6.884 228 HG3 GLU 31 HG3 GLU 31 -1.071 7.560 8.168 229 H LEU 32 H LEU 32 -3.726 3.814 9.635 230 HA LEU 32 HA LEU 32 -2.797 1.318 8.965 231 HB2 LEU 32 HB2 LEU 32 -3.703 1.829 11.084 232 HB3 LEU 32 HB3 LEU 32 -5.177 2.059 10.419 233 HG LEU 32 HG LEU 32 -4.860 0.135 11.862 234 HD11 LEU 32 HD11 LEU 32 -6.397 -1.236 10.613 235 HD12 LEU 32 HD12 LEU 32 -6.118 -0.338 9.298 236 HD13 LEU 32 HD13 LEU 32 -6.854 0.315 10.582 237 HD21 LEU 32 HD21 LEU 32 -4.047 -1.872 10.866 238 HD22 LEU 32 HD22 LEU 32 -2.875 -0.767 11.000 239 HD23 LEU 32 HD23 LEU 32 -3.579 -1.029 9.568 240 H GLY 33 H GLY 33 -5.814 2.806 8.095 241 HA2 GLY 33 HA2 GLY 33 -6.857 0.614 6.759 242 HA3 GLY 33 HA3 GLY 33 -7.337 2.163 6.566 243 H THR 34 H THR 34 -4.473 2.796 5.781 244 HA THR 34 HA THR 34 -4.943 2.418 3.045 245 HB THR 34 HB THR 34 -2.466 3.590 4.044 246 HG1 THR 34 HG1 THR 34 -4.446 5.373 3.856 247 HG21 THR 34 HG21 THR 34 -2.724 5.105 2.205 248 HG22 THR 34 HG22 THR 34 -4.156 4.448 1.842 249 HG23 THR 34 HG23 THR 34 -2.799 3.591 1.640 250 H VAL 35 H VAL 35 -2.957 0.945 5.393 251 HA VAL 35 HA VAL 35 -1.011 0.002 3.748 252 HB VAL 35 HB VAL 35 -1.895 -1.385 6.181 253 HG11 VAL 35 HG11 VAL 35 0.361 -2.228 6.358 254 HG12 VAL 35 HG12 VAL 35 0.753 -1.483 4.977 255 HG13 VAL 35 HG13 VAL 35 -0.296 -2.712 4.961 256 HG21 VAL 35 HG21 VAL 35 -0.334 -0.045 7.409 257 HG22 VAL 35 HG22 VAL 35 -1.442 0.899 6.705 258 HG23 VAL 35 HG23 VAL 35 0.036 0.768 6.061 259 H MET 36 H MET 36 -3.808 -1.825 4.875 260 HA MET 36 HA MET 36 -3.175 -3.950 3.179 261 HB2 MET 36 HB2 MET 36 -5.119 -5.013 3.875 262 HB3 MET 36 HB3 MET 36 -4.436 -4.302 5.177 263 HG2 MET 36 HG2 MET 36 -6.592 -3.147 3.748 264 HG3 MET 36 HG3 MET 36 -6.824 -4.178 4.993 265 HE1 MET 36 HE1 MET 36 -5.666 -2.315 8.105 266 HE2 MET 36 HE2 MET 36 -4.944 -3.512 7.292 267 HE3 MET 36 HE3 MET 36 -6.535 -3.571 7.574 268 H ARG 37 H ARG 37 -4.902 -1.073 2.749 269 HA ARG 37 HA ARG 37 -6.427 -1.842 0.559 270 HB2 ARG 37 HB2 ARG 37 -6.787 0.188 1.835 271 HB3 ARG 37 HB3 ARG 37 -5.497 0.840 1.074 272 HG2 ARG 37 HG2 ARG 37 -6.624 0.715 -0.982 273 HG3 ARG 37 HG3 ARG 37 -7.903 0.006 -0.255 274 HD2 ARG 37 HD2 ARG 37 -8.260 1.988 1.018 275 HD3 ARG 37 HD3 ARG 37 -7.001 2.695 0.255 276 HE ARG 37 HE ARG 37 -8.800 1.820 -1.664 277 HH11 ARG 37 HH11 ARG 37 -8.536 4.366 0.753 278 HH12 ARG 37 HH12 ARG 37 -9.597 5.421 -0.120 279 HH21 ARG 37 HH21 ARG 37 -10.136 3.221 -2.722 280 HH22 ARG 37 HH22 ARG 37 -10.488 4.781 -2.058 281 H SER 38 H SER 38 -3.186 -0.650 0.814 282 HA SER 38 HA SER 38 -2.705 -0.348 -1.885 283 HB2 SER 38 HB2 SER 38 -1.077 -0.436 0.402 284 HB3 SER 38 HB3 SER 38 -0.308 -1.049 -0.901 285 HG SER 38 HG SER 38 -1.607 1.333 -1.157 286 H LEU 39 H LEU 39 -2.755 -3.109 0.123 287 HA LEU 39 HA LEU 39 -1.686 -4.844 -1.849 288 HB2 LEU 39 HB2 LEU 39 -2.797 -5.409 0.769 289 HB3 LEU 39 HB3 LEU 39 -2.131 -6.569 -0.168 290 HG LEU 39 HG LEU 39 -0.592 -4.329 0.775 291 HD11 LEU 39 HD11 LEU 39 0.226 -5.743 2.532 292 HD12 LEU 39 HD12 LEU 39 -0.801 -6.906 2.079 293 HD13 LEU 39 HD13 LEU 39 -1.367 -5.523 2.696 294 HD21 LEU 39 HD21 LEU 39 1.294 -5.722 0.255 295 HD22 LEU 39 HD22 LEU 39 0.390 -5.504 -1.068 296 HD23 LEU 39 HD23 LEU 39 0.299 -6.894 -0.245 297 H GLY 40 H GLY 40 -4.484 -3.399 -1.783 298 HA2 GLY 40 HA2 GLY 40 -6.238 -3.870 -3.156 299 HA3 GLY 40 HA3 GLY 40 -5.714 -5.404 -3.361 300 H GLN 41 H GLN 41 -5.788 -5.120 -0.154 301 HA GLN 41 HA GLN 41 -8.221 -6.529 0.037 302 HB2 GLN 41 HB2 GLN 41 -6.301 -6.892 1.511 303 HB3 GLN 41 HB3 GLN 41 -6.738 -5.523 2.287 304 HG2 GLN 41 HG2 GLN 41 -8.870 -6.585 2.771 305 HG3 GLN 41 HG3 GLN 41 -8.244 -7.974 2.182 306 HE21 GLN 41 HE21 GLN 41 -6.890 -9.251 3.392 307 HE22 GLN 41 HE22 GLN 41 -6.522 -8.869 5.040 308 H ASN 42 H ASN 42 -10.268 -5.727 0.491 309 HA ASN 42 HA ASN 42 -10.372 -2.955 1.295 310 HB2 ASN 42 HB2 ASN 42 -12.128 -4.324 -0.553 311 HB3 ASN 42 HB3 ASN 42 -12.520 -2.866 0.070 312 HD21 ASN 42 HD21 ASN 42 -10.736 -4.529 -2.243 313 HD22 ASN 42 HD22 ASN 42 -10.035 -3.148 -3.018 314 HA PRO 43 HA PRO 43 -12.612 -5.349 4.391 315 HB2 PRO 43 HB2 PRO 43 -11.615 -4.294 6.615 316 HB3 PRO 43 HB3 PRO 43 -10.750 -5.445 5.846 317 HG2 PRO 43 HG2 PRO 43 -10.452 -2.619 5.652 318 HG3 PRO 43 HG3 PRO 43 -9.286 -3.733 5.901 319 HD2 PRO 43 HD2 PRO 43 -9.691 -2.796 3.517 320 HD3 PRO 43 HD3 PRO 43 -9.253 -4.357 3.712 321 H THR 44 H THR 44 -14.411 -4.850 5.662 322 HA THR 44 HA THR 44 -15.688 -2.576 4.804 323 HB THR 44 HB THR 44 -16.811 -3.550 7.193 324 HG1 THR 44 HG1 THR 44 -16.021 -5.479 7.074 325 HG21 THR 44 HG21 THR 44 -18.655 -4.119 5.781 326 HG22 THR 44 HG22 THR 44 -17.744 -3.881 4.466 327 HG23 THR 44 HG23 THR 44 -18.155 -2.628 5.404 328 H GLU 45 H GLU 45 -16.132 -0.574 5.666 329 HA GLU 45 HA GLU 45 -14.232 0.539 7.291 330 HB2 GLU 45 HB2 GLU 45 -15.753 1.682 5.730 331 HB3 GLU 45 HB3 GLU 45 -16.924 1.546 6.860 332 HG2 GLU 45 HG2 GLU 45 -15.834 3.036 8.245 333 HG3 GLU 45 HG3 GLU 45 -14.541 3.078 7.247 334 H ALA 46 H ALA 46 -17.318 -0.726 8.216 335 HA ALA 46 HA ALA 46 -17.263 0.219 10.804 336 HB1 ALA 46 HB1 ALA 46 -19.286 -0.694 9.809 337 HB2 ALA 46 HB2 ALA 46 -19.014 -1.430 11.223 338 HB3 ALA 46 HB3 ALA 46 -18.638 -2.175 9.838 339 H GLU 47 H GLU 47 -15.987 -2.700 9.450 340 HA GLU 47 HA GLU 47 -15.345 -3.932 11.837 341 HB2 GLU 47 HB2 GLU 47 -13.986 -4.309 9.307 342 HB3 GLU 47 HB3 GLU 47 -13.957 -5.376 10.543 343 HG2 GLU 47 HG2 GLU 47 -16.351 -4.764 9.081 344 HG3 GLU 47 HG3 GLU 47 -15.383 -6.023 8.704 345 H LEU 48 H LEU 48 -13.736 -1.610 9.888 346 HA LEU 48 HA LEU 48 -11.272 -1.805 11.176 347 HB2 LEU 48 HB2 LEU 48 -12.341 0.265 9.477 348 HB3 LEU 48 HB3 LEU 48 -10.822 0.358 10.071 349 HG LEU 48 HG LEU 48 -11.667 -1.686 8.236 350 HD11 LEU 48 HD11 LEU 48 -10.479 -0.400 6.560 351 HD12 LEU 48 HD12 LEU 48 -10.175 0.748 7.657 352 HD13 LEU 48 HD13 LEU 48 -11.692 0.482 7.165 353 HD21 LEU 48 HD21 LEU 48 -9.333 -2.149 7.987 354 HD22 LEU 48 HD22 LEU 48 -9.776 -2.360 9.528 355 HD23 LEU 48 HD23 LEU 48 -8.984 -1.020 9.091 356 H GLN 49 H GLN 49 -13.985 0.350 11.437 357 HA GLN 49 HA GLN 49 -12.954 2.201 13.122 358 HB2 GLN 49 HB2 GLN 49 -15.131 2.413 12.136 359 HB3 GLN 49 HB3 GLN 49 -15.686 1.199 13.077 360 HG2 GLN 49 HG2 GLN 49 -15.287 2.658 14.997 361 HG3 GLN 49 HG3 GLN 49 -15.041 3.868 13.928 362 HE21 GLN 49 HE21 GLN 49 -17.374 1.504 14.936 363 HE22 GLN 49 HE22 GLN 49 -18.773 2.436 14.516 364 H ASP 50 H ASP 50 -14.645 -0.693 14.030 365 HA ASP 50 HA ASP 50 -14.615 -0.243 16.704 366 HB2 ASP 50 HB2 ASP 50 -14.762 -2.744 15.242 367 HB3 ASP 50 HB3 ASP 50 -14.920 -2.734 16.867 368 H MET 51 H MET 51 -12.154 -1.805 14.792 369 HA MET 51 HA MET 51 -10.764 -2.451 17.150 370 HB2 MET 51 HB2 MET 51 -9.215 -3.635 15.819 371 HB3 MET 51 HB3 MET 51 -10.716 -3.969 15.270 372 HG2 MET 51 HG2 MET 51 -10.402 -2.482 13.520 373 HG3 MET 51 HG3 MET 51 -8.898 -2.158 14.068 374 HE1 MET 51 HE1 MET 51 -7.530 -4.239 11.235 375 HE2 MET 51 HE2 MET 51 -7.238 -2.998 12.230 376 HE3 MET 51 HE3 MET 51 -8.516 -2.957 11.240 377 H ILE 52 H ILE 52 -10.565 0.115 14.932 378 HA ILE 52 HA ILE 52 -7.946 0.811 15.558 379 HB ILE 52 HB ILE 52 -10.028 2.386 14.258 380 HG12 ILE 52 HG12 ILE 52 -7.556 1.490 13.068 381 HG13 ILE 52 HG13 ILE 52 -8.890 0.546 13.064 382 HG21 ILE 52 HG21 ILE 52 -8.401 4.124 13.748 383 HG22 ILE 52 HG22 ILE 52 -7.291 3.351 14.634 384 HG23 ILE 52 HG23 ILE 52 -8.585 4.007 15.350 385 HD11 ILE 52 HD11 ILE 52 -8.685 1.681 10.954 386 HD12 ILE 52 HD12 ILE 52 -8.712 3.112 11.706 387 HD13 ILE 52 HD13 ILE 52 -10.031 2.177 11.702 388 H ASN 53 H ASN 53 -11.040 1.912 16.749 389 HA ASN 53 HA ASN 53 -9.829 3.834 18.389 390 HB2 ASN 53 HB2 ASN 53 -12.574 2.964 18.182 391 HB3 ASN 53 HB3 ASN 53 -12.152 4.059 19.318 392 HD21 ASN 53 HD21 ASN 53 -10.450 5.727 18.132 393 HD22 ASN 53 HD22 ASN 53 -11.229 6.521 16.805 394 H GLU 54 H GLU 54 -10.054 0.616 18.777 395 HA GLU 54 HA GLU 54 -10.155 0.691 21.629 396 HB2 GLU 54 HB2 GLU 54 -11.117 -1.147 20.396 397 HB3 GLU 54 HB3 GLU 54 -9.612 -1.581 19.931 398 HG2 GLU 54 HG2 GLU 54 -10.170 -3.016 21.639 399 HG3 GLU 54 HG3 GLU 54 -9.104 -1.962 22.286 400 H VAL 55 H VAL 55 -7.813 0.375 19.084 401 HA VAL 55 HA VAL 55 -5.776 -0.204 20.943 402 HB VAL 55 HB VAL 55 -5.820 -1.273 18.672 403 HG11 VAL 55 HG11 VAL 55 -4.910 -0.099 16.806 404 HG12 VAL 55 HG12 VAL 55 -4.812 1.249 17.694 405 HG13 VAL 55 HG13 VAL 55 -6.258 0.626 17.325 406 HG21 VAL 55 HG21 VAL 55 -3.435 -1.357 18.371 407 HG22 VAL 55 HG22 VAL 55 -3.803 -1.501 19.939 408 HG23 VAL 55 HG23 VAL 55 -3.263 -0.091 19.362 409 H ASP 56 H ASP 56 -6.806 2.640 19.381 410 HA ASP 56 HA ASP 56 -4.354 3.955 19.918 411 HB2 ASP 56 HB2 ASP 56 -5.207 5.836 18.791 412 HB3 ASP 56 HB3 ASP 56 -5.625 4.515 17.927 413 H ALA 57 H ALA 57 -6.113 2.951 22.045 414 HA ALA 57 HA ALA 57 -7.211 4.982 23.439 415 HB1 ALA 57 HB1 ALA 57 -7.553 2.583 23.951 416 HB2 ALA 57 HB2 ALA 57 -7.210 3.374 25.319 417 HB3 ALA 57 HB3 ALA 57 -6.062 2.513 24.572 418 H ASP 58 H ASP 58 -3.891 4.314 23.269 419 HA ASP 58 HA ASP 58 -3.311 5.699 25.654 420 HB2 ASP 58 HB2 ASP 58 -1.107 5.096 25.366 421 HB3 ASP 58 HB3 ASP 58 -1.926 3.856 24.690 422 H GLY 59 H GLY 59 -4.032 6.679 22.625 423 HA2 GLY 59 HA2 GLY 59 -4.214 8.858 21.986 424 HA3 GLY 59 HA3 GLY 59 -3.232 9.339 23.199 425 H ASN 60 H ASN 60 -1.382 7.078 21.878 426 HA ASN 60 HA ASN 60 -0.030 9.027 20.304 427 HB2 ASN 60 HB2 ASN 60 0.779 6.395 21.180 428 HB3 ASN 60 HB3 ASN 60 1.684 7.201 20.085 429 HD21 ASN 60 HD21 ASN 60 1.708 6.373 23.097 430 HD22 ASN 60 HD22 ASN 60 2.475 7.753 23.810 431 H GLY 61 H GLY 61 -1.969 6.250 19.858 432 HA2 GLY 61 HA2 GLY 61 -2.876 5.504 17.934 433 HA3 GLY 61 HA3 GLY 61 -2.327 6.842 17.174 434 H THR 62 H THR 62 -0.207 4.522 18.635 435 HA THR 62 HA THR 62 0.890 4.060 16.038 436 HB THR 62 HB THR 62 2.787 3.093 17.515 437 HG1 THR 62 HG1 THR 62 1.673 4.709 19.427 438 HG21 THR 62 HG21 THR 62 3.691 5.294 17.889 439 HG22 THR 62 HG22 THR 62 2.232 5.950 17.652 440 HG23 THR 62 HG23 THR 62 3.019 5.261 16.419 441 H ILE 63 H ILE 63 1.498 2.017 15.180 442 HA ILE 63 HA ILE 63 0.473 -0.277 16.578 443 HB ILE 63 HB ILE 63 -0.049 0.256 13.751 444 HG12 ILE 63 HG12 ILE 63 -1.983 -0.240 15.840 445 HG13 ILE 63 HG13 ILE 63 -1.594 1.257 15.313 446 HG21 ILE 63 HG21 ILE 63 -1.107 -1.919 13.571 447 HG22 ILE 63 HG22 ILE 63 -0.666 -2.264 15.088 448 HG23 ILE 63 HG23 ILE 63 0.458 -2.099 13.937 449 HD11 ILE 63 HD11 ILE 63 -3.656 0.557 14.334 450 HD12 ILE 63 HD12 ILE 63 -2.930 -0.739 13.695 451 HD13 ILE 63 HD13 ILE 63 -2.545 0.743 13.174 452 H ASP 64 H ASP 64 2.038 -1.842 16.802 453 HA ASP 64 HA ASP 64 4.467 -1.512 15.477 454 HB2 ASP 64 HB2 ASP 64 3.565 -3.012 17.623 455 HB3 ASP 64 HB3 ASP 64 4.357 -4.039 16.630 456 H PHE 65 H PHE 65 5.611 -2.932 13.969 457 HA PHE 65 HA PHE 65 4.062 -4.073 12.078 458 HB2 PHE 65 HB2 PHE 65 6.331 -3.665 11.578 459 HB3 PHE 65 HB3 PHE 65 6.818 -4.737 12.710 460 HD1 PHE 65 HD1 PHE 65 7.023 -7.092 12.203 461 HD2 PHE 65 HD2 PHE 65 5.398 -4.478 9.408 462 HE1 PHE 65 HE1 PHE 65 7.104 -8.837 10.534 463 HE2 PHE 65 HE2 PHE 65 5.506 -6.197 7.722 464 HZ PHE 65 HZ PHE 65 6.343 -8.387 8.284 465 HA PRO 66 HA PRO 66 4.344 -8.271 13.705 466 HB2 PRO 66 HB2 PRO 66 4.996 -8.915 16.204 467 HB3 PRO 66 HB3 PRO 66 6.196 -8.698 15.117 468 HG2 PRO 66 HG2 PRO 66 5.210 -6.836 17.028 469 HG3 PRO 66 HG3 PRO 66 6.766 -7.206 16.696 470 HD2 PRO 66 HD2 PRO 66 5.650 -5.081 15.662 471 HD3 PRO 66 HD3 PRO 66 6.802 -5.898 14.843 472 H GLU 67 H GLU 67 3.128 -5.865 15.764 473 HA GLU 67 HA GLU 67 1.024 -7.469 16.708 474 HB2 GLU 67 HB2 GLU 67 0.685 -5.861 18.102 475 HB3 GLU 67 HB3 GLU 67 1.944 -5.079 17.415 476 HG2 GLU 67 HG2 GLU 67 0.511 -3.889 16.042 477 HG3 GLU 67 HG3 GLU 67 -0.770 -4.745 16.584 478 H PHE 68 H PHE 68 1.542 -5.427 13.965 479 HA PHE 68 HA PHE 68 -1.035 -5.194 13.050 480 HB2 PHE 68 HB2 PHE 68 0.913 -4.104 12.071 481 HB3 PHE 68 HB3 PHE 68 1.283 -5.522 11.348 482 HD1 PHE 68 HD1 PHE 68 -0.206 -2.505 10.825 483 HD2 PHE 68 HD2 PHE 68 -0.685 -6.506 9.807 484 HE1 PHE 68 HE1 PHE 68 -1.510 -1.858 8.901 485 HE2 PHE 68 HE2 PHE 68 -2.035 -5.870 7.911 486 HZ PHE 68 HZ PHE 68 -2.445 -3.540 7.453 487 H LEU 69 H LEU 69 1.316 -7.718 12.524 488 HA LEU 69 HA LEU 69 -0.251 -9.280 10.884 489 HB2 LEU 69 HB2 LEU 69 2.058 -9.815 12.454 490 HB3 LEU 69 HB3 LEU 69 1.242 -11.113 11.890 491 HG LEU 69 HG LEU 69 3.102 -10.699 10.573 492 HD11 LEU 69 HD11 LEU 69 2.051 -10.622 8.389 493 HD12 LEU 69 HD12 LEU 69 0.681 -10.106 9.076 494 HD13 LEU 69 HD13 LEU 69 1.226 -11.597 9.382 495 HD21 LEU 69 HD21 LEU 69 3.366 -8.731 9.250 496 HD22 LEU 69 HD22 LEU 69 3.420 -8.384 10.828 497 HD23 LEU 69 HD23 LEU 69 2.080 -8.076 9.977 498 H THR 70 H THR 70 0.130 -9.208 14.327 499 HA THR 70 HA THR 70 -1.477 -11.377 14.891 500 HB THR 70 HB THR 70 -0.957 -9.105 16.667 501 HG1 THR 70 HG1 THR 70 0.996 -9.847 16.104 502 HG21 THR 70 HG21 THR 70 -1.308 -10.639 18.472 503 HG22 THR 70 HG22 THR 70 -1.615 -11.831 17.424 504 HG23 THR 70 HG23 THR 70 -2.647 -10.595 17.565 505 H MET 71 H MET 71 -2.223 -8.006 14.607 506 HA MET 71 HA MET 71 -4.880 -8.129 15.362 507 HB2 MET 71 HB2 MET 71 -3.474 -6.110 15.131 508 HB3 MET 71 HB3 MET 71 -3.733 -6.205 13.521 509 HG2 MET 71 HG2 MET 71 -6.016 -5.961 13.916 510 HG3 MET 71 HG3 MET 71 -5.692 -5.765 15.504 511 HE1 MET 71 HE1 MET 71 -3.805 -2.366 15.729 512 HE2 MET 71 HE2 MET 71 -3.203 -3.864 15.799 513 HE3 MET 71 HE3 MET 71 -4.552 -3.497 16.610 514 H MET 72 H MET 72 -3.339 -8.444 12.274 515 HA MET 72 HA MET 72 -5.671 -8.648 10.780 516 HB2 MET 72 HB2 MET 72 -3.523 -8.213 9.800 517 HB3 MET 72 HB3 MET 72 -3.084 -9.754 10.119 518 HG2 MET 72 HG2 MET 72 -3.605 -9.544 7.906 519 HG3 MET 72 HG3 MET 72 -4.657 -10.548 8.649 520 HE1 MET 72 HE1 MET 72 -5.610 -6.356 7.129 521 HE2 MET 72 HE2 MET 72 -4.273 -7.185 6.757 522 HE3 MET 72 HE3 MET 72 -4.481 -6.619 8.258 523 H ALA 73 H ALA 73 -3.677 -11.022 12.364 524 HA ALA 73 HA ALA 73 -5.064 -13.249 11.494 525 HB1 ALA 73 HB1 ALA 73 -2.884 -13.446 12.518 526 HB2 ALA 73 HB2 ALA 73 -3.920 -14.419 13.291 527 HB3 ALA 73 HB3 ALA 73 -3.502 -13.000 13.944 528 H ARG 74 H ARG 74 -5.612 -11.093 14.120 529 HA ARG 74 HA ARG 74 -7.606 -12.550 15.399 530 HB2 ARG 74 HB2 ARG 74 -6.309 -10.580 16.246 531 HB3 ARG 74 HB3 ARG 74 -7.402 -9.660 15.455 532 HG2 ARG 74 HG2 ARG 74 -9.108 -10.501 16.833 533 HG3 ARG 74 HG3 ARG 74 -8.013 -11.421 17.625 534 HD2 ARG 74 HD2 ARG 74 -8.396 -9.499 18.926 535 HD3 ARG 74 HD3 ARG 74 -6.887 -9.379 18.309 536 HE ARG 74 HE ARG 74 -8.544 -8.093 16.545 537 HH11 ARG 74 HH11 ARG 74 -8.764 -5.893 16.507 538 HH12 ARG 74 HH12 ARG 74 -8.377 -4.941 17.902 539 HH21 ARG 74 HH21 ARG 74 -7.440 -7.607 19.858 540 HH22 ARG 74 HH22 ARG 74 -7.642 -5.890 19.761 541 H LYS 75 H LYS 75 -7.621 -10.875 12.528 542 HA LYS 75 HA LYS 75 -10.440 -10.420 12.543 543 HB2 LYS 75 HB2 LYS 75 -8.719 -8.829 11.649 544 HB3 LYS 75 HB3 LYS 75 -8.794 -9.752 10.302 545 HG2 LYS 75 HG2 LYS 75 -11.073 -9.246 10.042 546 HG3 LYS 75 HG3 LYS 75 -11.072 -8.411 11.446 547 HD2 LYS 75 HD2 LYS 75 -9.633 -6.849 10.561 548 HD3 LYS 75 HD3 LYS 75 -9.498 -7.715 9.182 549 HE2 LYS 75 HE2 LYS 75 -11.951 -6.478 10.086 550 HE3 LYS 75 HE3 LYS 75 -11.017 -5.883 8.886 551 HZ1 LYS 75 HZ1 LYS 75 -12.858 -7.087 7.966 552 HZ2 LYS 75 HZ2 LYS 75 -12.400 -8.416 8.763 553 HZ3 LYS 75 HZ3 LYS 75 -11.475 -7.827 7.575 554 H MET 76 H MET 76 -9.364 -13.136 12.459 555 HA MET 76 HA MET 76 -9.744 -14.079 9.884 556 HB2 MET 76 HB2 MET 76 -9.329 -16.240 10.778 557 HB3 MET 76 HB3 MET 76 -8.369 -15.194 11.586 558 HG2 MET 76 HG2 MET 76 -10.804 -16.302 12.572 559 HG3 MET 76 HG3 MET 76 -9.313 -16.826 12.979 560 HE1 MET 76 HE1 MET 76 -10.653 -15.293 16.302 561 HE2 MET 76 HE2 MET 76 -10.074 -16.646 15.633 562 HE3 MET 76 HE3 MET 76 -11.525 -16.085 15.194 563 H LYS 77 H LYS 77 -12.087 -12.716 10.828 564 HA LYS 77 HA LYS 77 -14.102 -14.710 11.056 565 HB2 LYS 77 HB2 LYS 77 -14.163 -12.548 12.217 566 HB3 LYS 77 HB3 LYS 77 -14.531 -11.871 10.777 567 HG2 LYS 77 HG2 LYS 77 -16.539 -13.199 10.731 568 HG3 LYS 77 HG3 LYS 77 -16.189 -13.708 12.243 569 HD2 LYS 77 HD2 LYS 77 -16.404 -11.541 13.082 570 HD3 LYS 77 HD3 LYS 77 -16.563 -10.932 11.575 571 HE2 LYS 77 HE2 LYS 77 -18.689 -11.061 12.600 572 HE3 LYS 77 HE3 LYS 77 -18.632 -12.093 11.336 573 HZ1 LYS 77 HZ1 LYS 77 -19.630 -13.150 13.209 574 HZ2 LYS 77 HZ2 LYS 77 -18.300 -12.873 14.087 575 HZ3 LYS 77 HZ3 LYS 77 -18.244 -13.895 12.836 576 H ASP 78 H ASP 78 -12.997 -15.411 8.838 577 HA ASP 78 HA ASP 78 -14.881 -14.722 6.788 578 HB2 ASP 78 HB2 ASP 78 -12.849 -13.253 6.630 579 HB3 ASP 78 HB3 ASP 78 -12.131 -14.586 6.019 580 H THR 79 H THR 79 -15.193 -16.483 5.314 581 HA THR 79 HA THR 79 -14.035 -18.865 6.317 582 HB THR 79 HB THR 79 -15.774 -19.987 4.880 583 HG1 THR 79 HG1 THR 79 -16.581 -18.827 3.390 584 HG21 THR 79 HG21 THR 79 -17.638 -19.333 6.251 585 HG22 THR 79 HG22 THR 79 -16.838 -18.015 6.740 586 HG23 THR 79 HG23 THR 79 -16.335 -19.483 7.195 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -2.419 -25.012 5.927 2 H2 ALA 1 H2 ALA 1 -1.604 -23.909 5.072 3 H3 ALA 1 H3 ALA 1 -3.217 -23.973 4.980 4 HA ALA 1 HA ALA 1 -3.404 -23.295 7.206 5 HB1 ALA 1 HB1 ALA 1 -1.326 -24.225 8.078 6 HB2 ALA 1 HB2 ALA 1 -1.426 -22.664 8.489 7 HB3 ALA 1 HB3 ALA 1 -0.480 -23.117 7.258 8 H ASP 2 H ASP 2 -3.436 -21.024 7.877 9 HA ASP 2 HA ASP 2 -3.234 -19.395 5.506 10 HB2 ASP 2 HB2 ASP 2 -4.595 -18.775 7.982 11 HB3 ASP 2 HB3 ASP 2 -4.803 -17.993 6.563 12 H GLN 3 H GLN 3 -1.276 -20.154 7.836 13 HA GLN 3 HA GLN 3 -0.220 -17.708 8.647 14 HB2 GLN 3 HB2 GLN 3 0.295 -19.783 9.741 15 HB3 GLN 3 HB3 GLN 3 1.159 -20.239 8.432 16 HG2 GLN 3 HG2 GLN 3 2.575 -18.268 8.899 17 HG3 GLN 3 HG3 GLN 3 1.856 -18.246 10.365 18 HE21 GLN 3 HE21 GLN 3 4.641 -18.798 9.357 19 HE22 GLN 3 HE22 GLN 3 5.068 -20.281 10.143 20 H LEU 4 H LEU 4 1.081 -16.258 7.517 21 HA LEU 4 HA LEU 4 1.569 -16.686 4.839 22 HB2 LEU 4 HB2 LEU 4 2.681 -14.748 6.646 23 HB3 LEU 4 HB3 LEU 4 3.104 -14.757 5.069 24 HG LEU 4 HG LEU 4 0.793 -14.267 4.555 25 HD11 LEU 4 HD11 LEU 4 -0.602 -13.291 6.234 26 HD12 LEU 4 HD12 LEU 4 0.487 -13.674 7.366 27 HD13 LEU 4 HD13 LEU 4 -0.303 -14.843 6.575 28 HD21 LEU 4 HD21 LEU 4 1.100 -11.888 5.067 29 HD22 LEU 4 HD22 LEU 4 2.489 -12.521 4.534 30 HD23 LEU 4 HD23 LEU 4 2.268 -12.277 6.117 31 H THR 5 H THR 5 3.351 -17.494 3.703 32 HA THR 5 HA THR 5 5.385 -18.770 5.242 33 HB THR 5 HB THR 5 6.209 -19.463 3.004 34 HG1 THR 5 HG1 THR 5 4.585 -17.591 2.275 35 HG21 THR 5 HG21 THR 5 4.422 -21.024 2.626 36 HG22 THR 5 HG22 THR 5 3.436 -20.147 3.561 37 HG23 THR 5 HG23 THR 5 4.692 -20.928 4.217 38 H GLU 6 H GLU 6 7.755 -18.294 4.758 39 HA GLU 6 HA GLU 6 8.307 -15.686 5.067 40 HB2 GLU 6 HB2 GLU 6 10.131 -17.545 3.764 41 HB3 GLU 6 HB3 GLU 6 10.598 -16.239 4.626 42 HG2 GLU 6 HG2 GLU 6 9.439 -18.635 5.711 43 HG3 GLU 6 HG3 GLU 6 10.986 -18.146 5.906 44 H GLU 7 H GLU 7 8.115 -17.321 2.049 45 HA GLU 7 HA GLU 7 9.144 -15.351 0.439 46 HB2 GLU 7 HB2 GLU 7 8.497 -17.700 -0.142 47 HB3 GLU 7 HB3 GLU 7 6.990 -17.114 -0.377 48 HG2 GLU 7 HG2 GLU 7 7.835 -17.205 -2.464 49 HG3 GLU 7 HG3 GLU 7 8.018 -15.633 -2.061 50 H GLN 8 H GLN 8 5.991 -15.725 1.724 51 HA GLN 8 HA GLN 8 4.902 -13.617 0.165 52 HB2 GLN 8 HB2 GLN 8 3.651 -15.105 2.308 53 HB3 GLN 8 HB3 GLN 8 2.850 -14.135 1.266 54 HG2 GLN 8 HG2 GLN 8 4.214 -16.538 0.424 55 HG3 GLN 8 HG3 GLN 8 2.616 -16.501 0.757 56 HE21 GLN 8 HE21 GLN 8 5.043 -15.720 -1.508 57 HE22 GLN 8 HE22 GLN 8 3.978 -15.263 -2.795 58 H ILE 9 H ILE 9 6.201 -14.032 3.298 59 HA ILE 9 HA ILE 9 5.251 -11.672 4.433 60 HB ILE 9 HB ILE 9 7.633 -13.182 5.159 61 HG12 ILE 9 HG12 ILE 9 5.106 -13.075 6.554 62 HG13 ILE 9 HG13 ILE 9 5.458 -14.251 5.478 63 HG21 ILE 9 HG21 ILE 9 7.695 -11.928 7.230 64 HG22 ILE 9 HG22 ILE 9 6.467 -11.009 6.721 65 HG23 ILE 9 HG23 ILE 9 7.903 -10.922 5.982 66 HD11 ILE 9 HD11 ILE 9 5.775 -15.064 7.708 67 HD12 ILE 9 HD12 ILE 9 6.846 -13.888 8.001 68 HD13 ILE 9 HD13 ILE 9 7.195 -15.053 6.934 69 H ALA 10 H ALA 10 7.913 -12.467 2.377 70 HA ALA 10 HA ALA 10 9.262 -10.082 2.480 71 HB1 ALA 10 HB1 ALA 10 10.194 -12.027 1.391 72 HB2 ALA 10 HB2 ALA 10 10.267 -10.769 0.378 73 HB3 ALA 10 HB3 ALA 10 9.114 -11.888 0.196 74 H GLU 11 H GLU 11 6.576 -11.019 0.470 75 HA GLU 11 HA GLU 11 6.443 -8.644 -0.994 76 HB2 GLU 11 HB2 GLU 11 5.368 -10.680 -1.695 77 HB3 GLU 11 HB3 GLU 11 4.306 -10.527 -0.464 78 HG2 GLU 11 HG2 GLU 11 3.397 -8.600 -1.472 79 HG3 GLU 11 HG3 GLU 11 4.474 -8.723 -2.694 80 H PHE 12 H PHE 12 4.822 -9.740 1.869 81 HA PHE 12 HA PHE 12 3.133 -7.639 2.279 82 HB2 PHE 12 HB2 PHE 12 3.177 -9.725 3.560 83 HB3 PHE 12 HB3 PHE 12 4.469 -9.147 4.375 84 HD1 PHE 12 HD1 PHE 12 0.938 -8.846 3.964 85 HD2 PHE 12 HD2 PHE 12 4.208 -7.514 6.158 86 HE1 PHE 12 HE1 PHE 12 -0.550 -7.873 5.578 87 HE2 PHE 12 HE2 PHE 12 2.720 -6.524 7.782 88 HZ PHE 12 HZ PHE 12 0.332 -6.723 7.503 89 H LYS 13 H LYS 13 6.456 -7.912 3.054 90 HA LYS 13 HA LYS 13 6.723 -5.747 4.673 91 HB2 LYS 13 HB2 LYS 13 8.458 -7.411 4.257 92 HB3 LYS 13 HB3 LYS 13 8.722 -6.728 2.797 93 HG2 LYS 13 HG2 LYS 13 9.440 -4.732 3.924 94 HG3 LYS 13 HG3 LYS 13 9.309 -5.533 5.341 95 HD2 LYS 13 HD2 LYS 13 10.953 -7.068 4.640 96 HD3 LYS 13 HD3 LYS 13 11.066 -6.304 3.201 97 HE2 LYS 13 HE2 LYS 13 11.803 -4.325 4.352 98 HE3 LYS 13 HE3 LYS 13 11.778 -5.162 5.754 99 HZ1 LYS 13 HZ1 LYS 13 13.982 -5.081 4.890 100 HZ2 LYS 13 HZ2 LYS 13 13.482 -5.783 3.521 101 HZ3 LYS 13 HZ3 LYS 13 13.458 -6.610 4.910 102 H GLU 14 H GLU 14 6.607 -5.791 1.209 103 HA GLU 14 HA GLU 14 7.711 -3.314 0.816 104 HB2 GLU 14 HB2 GLU 14 7.287 -4.854 -0.993 105 HB3 GLU 14 HB3 GLU 14 5.696 -4.503 -0.892 106 HG2 GLU 14 HG2 GLU 14 6.138 -2.267 -1.556 107 HG3 GLU 14 HG3 GLU 14 7.735 -2.599 -1.634 108 H ALA 15 H ALA 15 4.356 -4.198 1.252 109 HA ALA 15 HA ALA 15 3.353 -1.673 0.890 110 HB1 ALA 15 HB1 ALA 15 1.923 -3.602 0.903 111 HB2 ALA 15 HB2 ALA 15 1.341 -2.499 1.931 112 HB3 ALA 15 HB3 ALA 15 2.158 -3.775 2.493 113 H PHE 16 H PHE 16 4.525 -3.214 3.772 114 HA PHE 16 HA PHE 16 3.664 -1.183 5.471 115 HB2 PHE 16 HB2 PHE 16 4.247 -3.431 6.209 116 HB3 PHE 16 HB3 PHE 16 5.818 -3.008 6.065 117 HD1 PHE 16 HD1 PHE 16 6.940 -1.791 7.804 118 HD2 PHE 16 HD2 PHE 16 2.815 -2.330 7.940 119 HE1 PHE 16 HE1 PHE 16 6.899 -0.896 10.043 120 HE2 PHE 16 HE2 PHE 16 2.765 -1.434 10.179 121 HZ PHE 16 HZ PHE 16 4.809 -0.698 11.226 122 H SER 17 H SER 17 6.663 -1.816 3.860 123 HA SER 17 HA SER 17 8.126 0.184 5.027 124 HB2 SER 17 HB2 SER 17 9.137 -1.627 3.722 125 HB3 SER 17 HB3 SER 17 8.554 -0.946 2.356 126 HG SER 17 HG SER 17 10.833 -0.556 3.262 127 H LEU 18 H LEU 18 5.775 0.471 2.627 128 HA LEU 18 HA LEU 18 6.692 2.862 1.530 129 HB2 LEU 18 HB2 LEU 18 4.082 1.642 1.518 130 HB3 LEU 18 HB3 LEU 18 4.327 3.079 0.780 131 HG LEU 18 HG LEU 18 5.744 0.705 0.007 132 HD11 LEU 18 HD11 LEU 18 4.177 0.489 -1.817 133 HD12 LEU 18 HD12 LEU 18 3.319 1.724 -1.222 134 HD13 LEU 18 HD13 LEU 18 3.410 0.333 -0.402 135 HD21 LEU 18 HD21 LEU 18 6.237 1.911 -2.015 136 HD22 LEU 18 HD22 LEU 18 6.806 2.717 -0.734 137 HD23 LEU 18 HD23 LEU 18 5.436 3.196 -1.447 138 H PHE 19 H PHE 19 4.987 2.097 4.361 139 HA PHE 19 HA PHE 19 4.383 4.868 4.872 140 HB2 PHE 19 HB2 PHE 19 3.405 2.500 6.205 141 HB3 PHE 19 HB3 PHE 19 3.011 4.011 6.688 142 HD1 PHE 19 HD1 PHE 19 1.198 5.185 5.681 143 HD2 PHE 19 HD2 PHE 19 2.648 1.705 3.930 144 HE1 PHE 19 HE1 PHE 19 -0.645 5.207 4.118 145 HE2 PHE 19 HE2 PHE 19 0.837 1.727 2.347 146 HZ PHE 19 HZ PHE 19 -0.815 3.478 2.434 147 H ASP 20 H ASP 20 5.986 2.150 6.310 148 HA ASP 20 HA ASP 20 7.239 3.643 8.378 149 HB2 ASP 20 HB2 ASP 20 6.765 1.341 8.689 150 HB3 ASP 20 HB3 ASP 20 7.781 0.962 7.467 151 H LYS 21 H LYS 21 7.952 5.291 6.770 152 HA LYS 21 HA LYS 21 9.908 4.546 4.929 153 HB2 LYS 21 HB2 LYS 21 8.383 6.429 4.608 154 HB3 LYS 21 HB3 LYS 21 9.156 7.225 5.807 155 HG2 LYS 21 HG2 LYS 21 11.144 7.183 4.419 156 HG3 LYS 21 HG3 LYS 21 10.204 6.627 3.205 157 HD2 LYS 21 HD2 LYS 21 8.953 8.577 3.212 158 HD3 LYS 21 HD3 LYS 21 9.736 9.117 4.540 159 HE2 LYS 21 HE2 LYS 21 11.788 9.095 3.250 160 HE3 LYS 21 HE3 LYS 21 10.894 8.751 1.927 161 HZ1 LYS 21 HZ1 LYS 21 11.329 11.074 2.039 162 HZ2 LYS 21 HZ2 LYS 21 10.625 11.145 3.493 163 HZ3 LYS 21 HZ3 LYS 21 9.740 10.806 2.182 164 H ASP 22 H ASP 22 10.046 5.879 8.081 165 HA ASP 22 HA ASP 22 12.796 6.480 7.754 166 HB2 ASP 22 HB2 ASP 22 12.706 7.491 9.936 167 HB3 ASP 22 HB3 ASP 22 11.568 8.102 8.938 168 H GLY 23 H GLY 23 10.997 3.922 8.918 169 HA2 GLY 23 HA2 GLY 23 11.921 1.870 9.310 170 HA3 GLY 23 HA3 GLY 23 13.412 2.524 9.445 171 H ASP 24 H ASP 24 11.040 3.987 11.359 172 HA ASP 24 HA ASP 24 12.288 3.029 13.721 173 HB2 ASP 24 HB2 ASP 24 11.184 5.292 13.313 174 HB3 ASP 24 HB3 ASP 24 9.881 4.527 13.932 175 H GLY 25 H GLY 25 9.860 1.999 11.706 176 HA2 GLY 25 HA2 GLY 25 8.756 0.012 11.881 177 HA3 GLY 25 HA3 GLY 25 9.233 -0.159 13.433 178 H THR 26 H THR 26 7.655 2.709 12.450 179 HA THR 26 HA THR 26 5.275 1.778 13.708 180 HB THR 26 HB THR 26 5.822 4.570 14.184 181 HG1 THR 26 HG1 THR 26 7.884 3.443 14.333 182 HG21 THR 26 HG21 THR 26 5.087 4.075 16.392 183 HG22 THR 26 HG22 THR 26 5.093 2.493 16.059 184 HG23 THR 26 HG23 THR 26 4.020 3.466 15.341 185 H ILE 27 H ILE 27 3.246 2.516 13.015 186 HA ILE 27 HA ILE 27 3.315 4.476 10.912 187 HB ILE 27 HB ILE 27 1.605 3.283 9.646 188 HG12 ILE 27 HG12 ILE 27 1.957 1.065 11.428 189 HG13 ILE 27 HG13 ILE 27 0.712 2.113 11.575 190 HG21 ILE 27 HG21 ILE 27 3.040 1.547 8.774 191 HG22 ILE 27 HG22 ILE 27 4.001 1.681 10.068 192 HG23 ILE 27 HG23 ILE 27 3.899 2.897 9.006 193 HD11 ILE 27 HD11 ILE 27 -0.009 0.144 10.417 194 HD12 ILE 27 HD12 ILE 27 1.118 0.380 9.281 195 HD13 ILE 27 HD13 ILE 27 -0.115 1.417 9.427 196 H THR 28 H THR 28 1.104 5.567 10.552 197 HA THR 28 HA THR 28 0.037 6.092 13.127 198 HB THR 28 HB THR 28 -1.271 7.832 11.749 199 HG1 THR 28 HG1 THR 28 -1.027 7.077 9.745 200 HG21 THR 28 HG21 THR 28 0.625 9.307 11.694 201 HG22 THR 28 HG22 THR 28 1.628 8.048 11.853 202 HG23 THR 28 HG23 THR 28 0.665 8.473 13.080 203 H THR 29 H THR 29 -2.129 5.893 13.830 204 HA THR 29 HA THR 29 -3.376 3.699 12.824 205 HB THR 29 HB THR 29 -5.317 4.435 14.313 206 HG1 THR 29 HG1 THR 29 -4.266 6.319 15.619 207 HG21 THR 29 HG21 THR 29 -4.104 4.220 16.358 208 HG22 THR 29 HG22 THR 29 -2.712 4.494 15.583 209 HG23 THR 29 HG23 THR 29 -3.538 3.133 15.303 210 H LYS 30 H LYS 30 -3.887 6.964 11.962 211 HA LYS 30 HA LYS 30 -6.376 6.565 10.780 212 HB2 LYS 30 HB2 LYS 30 -4.442 8.670 10.320 213 HB3 LYS 30 HB3 LYS 30 -5.957 8.724 9.711 214 HG2 LYS 30 HG2 LYS 30 -6.807 8.711 11.945 215 HG3 LYS 30 HG3 LYS 30 -5.272 8.787 12.498 216 HD2 LYS 30 HD2 LYS 30 -4.989 10.869 11.407 217 HD3 LYS 30 HD3 LYS 30 -6.530 10.795 10.872 218 HE2 LYS 30 HE2 LYS 30 -7.292 10.803 13.143 219 HE3 LYS 30 HE3 LYS 30 -5.745 10.954 13.643 220 HZ1 LYS 30 HZ1 LYS 30 -6.807 13.070 13.627 221 HZ2 LYS 30 HZ2 LYS 30 -7.135 12.905 12.053 222 HZ3 LYS 30 HZ3 LYS 30 -5.603 13.054 12.548 223 H GLU 31 H GLU 31 -3.245 5.952 9.734 224 HA GLU 31 HA GLU 31 -4.063 5.731 7.005 225 HB2 GLU 31 HB2 GLU 31 -1.501 5.951 8.270 226 HB3 GLU 31 HB3 GLU 31 -1.555 5.310 6.768 227 HG2 GLU 31 HG2 GLU 31 -1.062 7.618 6.633 228 HG3 GLU 31 HG3 GLU 31 -2.512 7.323 5.941 229 H LEU 32 H LEU 32 -4.304 3.806 9.476 230 HA LEU 32 HA LEU 32 -3.138 1.407 8.822 231 HB2 LEU 32 HB2 LEU 32 -4.414 2.017 10.823 232 HB3 LEU 32 HB3 LEU 32 -5.763 1.694 9.962 233 HG LEU 32 HG LEU 32 -3.897 -0.290 10.830 234 HD11 LEU 32 HD11 LEU 32 -5.714 -0.838 12.423 235 HD12 LEU 32 HD12 LEU 32 -6.591 0.379 11.820 236 HD13 LEU 32 HD13 LEU 32 -5.243 0.691 12.656 237 HD21 LEU 32 HD21 LEU 32 -5.454 -1.927 10.210 238 HD22 LEU 32 HD22 LEU 32 -4.955 -1.087 8.922 239 HD23 LEU 32 HD23 LEU 32 -6.408 -0.790 9.569 240 H GLY 33 H GLY 33 -6.284 2.589 7.866 241 HA2 GLY 33 HA2 GLY 33 -6.907 0.438 6.224 242 HA3 GLY 33 HA3 GLY 33 -7.631 1.902 6.193 243 H THR 34 H THR 34 -4.911 3.102 5.666 244 HA THR 34 HA THR 34 -5.115 3.065 2.873 245 HB THR 34 HB THR 34 -2.912 4.285 4.310 246 HG1 THR 34 HG1 THR 34 -4.346 6.169 4.284 247 HG21 THR 34 HG21 THR 34 -2.949 5.871 2.511 248 HG22 THR 34 HG22 THR 34 -4.220 5.121 1.851 249 HG23 THR 34 HG23 THR 34 -2.778 4.390 1.885 250 H VAL 35 H VAL 35 -3.035 1.563 5.217 251 HA VAL 35 HA VAL 35 -1.310 0.521 3.316 252 HB VAL 35 HB VAL 35 -1.663 -0.771 5.907 253 HG11 VAL 35 HG11 VAL 35 0.689 -1.306 5.697 254 HG12 VAL 35 HG12 VAL 35 0.743 -0.526 4.282 255 HG13 VAL 35 HG13 VAL 35 -0.119 -1.886 4.422 256 HG21 VAL 35 HG21 VAL 35 -0.122 0.748 6.905 257 HG22 VAL 35 HG22 VAL 35 -1.442 1.536 6.405 258 HG23 VAL 35 HG23 VAL 35 -0.078 1.612 5.540 259 H MET 36 H MET 36 -4.074 -0.772 5.038 260 HA MET 36 HA MET 36 -3.877 -3.295 4.026 261 HB2 MET 36 HB2 MET 36 -6.280 -1.988 5.003 262 HB3 MET 36 HB3 MET 36 -6.197 -3.601 4.760 263 HG2 MET 36 HG2 MET 36 -4.310 -3.491 6.326 264 HG3 MET 36 HG3 MET 36 -4.948 -2.048 6.748 265 HE1 MET 36 HE1 MET 36 -8.514 -3.062 8.051 266 HE2 MET 36 HE2 MET 36 -8.123 -2.595 6.553 267 HE3 MET 36 HE3 MET 36 -7.528 -1.799 7.829 268 H ARG 37 H ARG 37 -5.539 -0.594 2.614 269 HA ARG 37 HA ARG 37 -6.877 -2.137 0.725 270 HB2 ARG 37 HB2 ARG 37 -7.470 -0.169 -0.363 271 HB3 ARG 37 HB3 ARG 37 -7.477 0.161 1.237 272 HG2 ARG 37 HG2 ARG 37 -5.310 1.161 0.986 273 HG3 ARG 37 HG3 ARG 37 -5.434 0.935 -0.627 274 HD2 ARG 37 HD2 ARG 37 -6.028 3.128 -0.238 275 HD3 ARG 37 HD3 ARG 37 -7.420 2.339 -0.565 276 HE ARG 37 HE ARG 37 -7.241 2.199 2.118 277 HH11 ARG 37 HH11 ARG 37 -8.136 3.632 3.532 278 HH12 ARG 37 HH12 ARG 37 -8.505 5.251 3.040 279 HH21 ARG 37 HH21 ARG 37 -7.347 4.862 -0.184 280 HH22 ARG 37 HH22 ARG 37 -8.065 5.939 0.966 281 H SER 38 H SER 38 -3.667 -1.079 0.915 282 HA SER 38 HA SER 38 -3.099 -1.327 -1.827 283 HB2 SER 38 HB2 SER 38 -1.768 0.091 -0.320 284 HB3 SER 38 HB3 SER 38 -1.115 -1.272 0.300 285 HG SER 38 HG SER 38 -0.951 -1.183 -2.353 286 H LEU 39 H LEU 39 -3.311 -3.423 0.777 287 HA LEU 39 HA LEU 39 -1.746 -5.479 -0.399 288 HB2 LEU 39 HB2 LEU 39 -3.238 -5.339 2.073 289 HB3 LEU 39 HB3 LEU 39 -2.533 -6.737 1.609 290 HG LEU 39 HG LEU 39 -0.971 -4.364 2.019 291 HD11 LEU 39 HD11 LEU 39 -0.499 -5.133 4.251 292 HD12 LEU 39 HD12 LEU 39 -1.555 -6.343 4.059 293 HD13 LEU 39 HD13 LEU 39 -2.077 -4.813 4.096 294 HD21 LEU 39 HD21 LEU 39 0.855 -5.921 2.268 295 HD22 LEU 39 HD22 LEU 39 0.148 -6.130 0.829 296 HD23 LEU 39 HD23 LEU 39 -0.161 -7.158 2.038 297 H GLY 40 H GLY 40 -4.586 -4.392 -1.244 298 HA2 GLY 40 HA2 GLY 40 -6.054 -5.422 -2.647 299 HA3 GLY 40 HA3 GLY 40 -5.334 -6.865 -2.389 300 H GLN 41 H GLN 41 -6.700 -4.835 0.060 301 HA GLN 41 HA GLN 41 -8.697 -6.870 0.559 302 HB2 GLN 41 HB2 GLN 41 -7.023 -6.455 2.316 303 HB3 GLN 41 HB3 GLN 41 -7.723 -4.995 2.529 304 HG2 GLN 41 HG2 GLN 41 -9.778 -6.163 3.115 305 HG3 GLN 41 HG3 GLN 41 -8.923 -7.554 3.099 306 HE21 GLN 41 HE21 GLN 41 -8.633 -8.286 5.106 307 HE22 GLN 41 HE22 GLN 41 -8.159 -7.274 6.429 308 H ASN 42 H ASN 42 -10.867 -6.240 1.069 309 HA ASN 42 HA ASN 42 -11.468 -3.493 0.409 310 HB2 ASN 42 HB2 ASN 42 -13.165 -5.820 0.013 311 HB3 ASN 42 HB3 ASN 42 -13.668 -4.294 -0.286 312 HD21 ASN 42 HD21 ASN 42 -12.718 -6.974 -1.706 313 HD22 ASN 42 HD22 ASN 42 -12.034 -6.320 -3.156 314 HA PRO 43 HA PRO 43 -12.897 -4.388 4.608 315 HB2 PRO 43 HB2 PRO 43 -11.659 -2.565 6.093 316 HB3 PRO 43 HB3 PRO 43 -10.792 -3.860 5.605 317 HG2 PRO 43 HG2 PRO 43 -10.907 -1.280 4.385 318 HG3 PRO 43 HG3 PRO 43 -9.574 -2.138 4.776 319 HD2 PRO 43 HD2 PRO 43 -10.504 -2.192 2.336 320 HD3 PRO 43 HD3 PRO 43 -9.790 -3.515 2.972 321 H THR 44 H THR 44 -14.423 -3.538 5.980 322 HA THR 44 HA THR 44 -15.923 -1.478 4.780 323 HB THR 44 HB THR 44 -16.715 -2.522 7.350 324 HG1 THR 44 HG1 THR 44 -16.902 -4.125 5.104 325 HG21 THR 44 HG21 THR 44 -18.861 -2.633 6.323 326 HG22 THR 44 HG22 THR 44 -18.213 -2.254 4.891 327 HG23 THR 44 HG23 THR 44 -18.244 -1.158 6.079 328 H GLU 45 H GLU 45 -16.598 0.514 5.883 329 HA GLU 45 HA GLU 45 -14.503 1.738 7.153 330 HB2 GLU 45 HB2 GLU 45 -17.290 2.566 7.126 331 HB3 GLU 45 HB3 GLU 45 -16.067 3.565 7.543 332 HG2 GLU 45 HG2 GLU 45 -16.516 4.188 5.412 333 HG3 GLU 45 HG3 GLU 45 -15.229 3.199 5.231 334 H ALA 46 H ALA 46 -17.212 0.087 8.428 335 HA ALA 46 HA ALA 46 -17.042 1.047 11.014 336 HB1 ALA 46 HB1 ALA 46 -19.032 -0.091 10.191 337 HB2 ALA 46 HB2 ALA 46 -18.549 -0.796 11.564 338 HB3 ALA 46 HB3 ALA 46 -18.217 -1.487 10.139 339 H GLU 47 H GLU 47 -15.567 -1.688 9.504 340 HA GLU 47 HA GLU 47 -14.667 -2.943 11.771 341 HB2 GLU 47 HB2 GLU 47 -13.510 -2.970 9.111 342 HB3 GLU 47 HB3 GLU 47 -13.060 -4.024 10.275 343 HG2 GLU 47 HG2 GLU 47 -15.182 -5.011 10.259 344 HG3 GLU 47 HG3 GLU 47 -15.725 -3.895 9.198 345 H LEU 48 H LEU 48 -13.275 -0.381 9.941 346 HA LEU 48 HA LEU 48 -10.809 -0.371 11.164 347 HB2 LEU 48 HB2 LEU 48 -12.257 1.531 9.634 348 HB3 LEU 48 HB3 LEU 48 -11.013 2.131 10.506 349 HG LEU 48 HG LEU 48 -9.534 0.685 9.297 350 HD11 LEU 48 HD11 LEU 48 -10.232 -0.369 7.285 351 HD12 LEU 48 HD12 LEU 48 -11.766 0.038 7.595 352 HD13 LEU 48 HD13 LEU 48 -10.996 -1.012 8.556 353 HD21 LEU 48 HD21 LEU 48 -9.597 2.057 7.270 354 HD22 LEU 48 HD22 LEU 48 -9.846 2.987 8.568 355 HD23 LEU 48 HD23 LEU 48 -11.096 2.532 7.649 356 H GLN 49 H GLN 49 -13.774 1.269 11.955 357 HA GLN 49 HA GLN 49 -12.720 2.773 14.042 358 HB2 GLN 49 HB2 GLN 49 -14.789 3.387 13.072 359 HB3 GLN 49 HB3 GLN 49 -15.462 1.978 13.551 360 HG2 GLN 49 HG2 GLN 49 -16.234 3.723 14.928 361 HG3 GLN 49 HG3 GLN 49 -15.328 2.698 15.819 362 HE21 GLN 49 HE21 GLN 49 -13.690 3.436 17.022 363 HE22 GLN 49 HE22 GLN 49 -13.082 5.054 16.898 364 H ASP 50 H ASP 50 -14.355 -0.280 13.940 365 HA ASP 50 HA ASP 50 -14.548 -0.652 16.640 366 HB2 ASP 50 HB2 ASP 50 -14.474 -2.625 14.515 367 HB3 ASP 50 HB3 ASP 50 -14.838 -3.037 16.053 368 H MET 51 H MET 51 -11.970 -1.666 14.482 369 HA MET 51 HA MET 51 -10.605 -2.958 16.532 370 HB2 MET 51 HB2 MET 51 -8.802 -3.250 15.045 371 HB3 MET 51 HB3 MET 51 -10.197 -3.515 14.237 372 HG2 MET 51 HG2 MET 51 -10.048 -1.396 13.291 373 HG3 MET 51 HG3 MET 51 -8.647 -1.140 14.092 374 HE1 MET 51 HE1 MET 51 -9.223 -3.916 10.536 375 HE2 MET 51 HE2 MET 51 -10.269 -2.773 11.000 376 HE3 MET 51 HE3 MET 51 -10.065 -4.098 11.905 377 H ILE 52 H ILE 52 -10.474 0.274 15.353 378 HA ILE 52 HA ILE 52 -8.150 1.057 16.649 379 HB ILE 52 HB ILE 52 -10.342 2.528 15.458 380 HG12 ILE 52 HG12 ILE 52 -7.502 2.811 15.008 381 HG13 ILE 52 HG13 ILE 52 -8.398 1.703 14.209 382 HG21 ILE 52 HG21 ILE 52 -9.503 4.681 16.094 383 HG22 ILE 52 HG22 ILE 52 -8.409 3.984 17.059 384 HG23 ILE 52 HG23 ILE 52 -9.984 3.868 17.406 385 HD11 ILE 52 HD11 ILE 52 -8.041 3.621 12.817 386 HD12 ILE 52 HD12 ILE 52 -8.731 4.573 13.926 387 HD13 ILE 52 HD13 ILE 52 -9.619 3.477 13.136 388 H ASN 53 H ASN 53 -11.420 0.875 17.708 389 HA ASN 53 HA ASN 53 -11.094 2.331 19.979 390 HB2 ASN 53 HB2 ASN 53 -13.039 0.401 19.156 391 HB3 ASN 53 HB3 ASN 53 -13.045 0.761 20.749 392 HD21 ASN 53 HD21 ASN 53 -12.719 3.305 21.047 393 HD22 ASN 53 HD22 ASN 53 -13.932 4.201 20.195 394 H GLU 54 H GLU 54 -10.170 -0.918 19.435 395 HA GLU 54 HA GLU 54 -9.578 -1.176 22.208 396 HB2 GLU 54 HB2 GLU 54 -10.752 -3.016 21.090 397 HB3 GLU 54 HB3 GLU 54 -9.380 -3.321 20.259 398 HG2 GLU 54 HG2 GLU 54 -8.283 -4.022 22.169 399 HG3 GLU 54 HG3 GLU 54 -9.481 -3.467 23.130 400 H VAL 55 H VAL 55 -7.868 -1.344 19.172 401 HA VAL 55 HA VAL 55 -5.548 -2.158 20.439 402 HB VAL 55 HB VAL 55 -6.112 -2.613 18.016 403 HG11 VAL 55 HG11 VAL 55 -5.389 -1.044 16.364 404 HG12 VAL 55 HG12 VAL 55 -5.003 0.011 17.526 405 HG13 VAL 55 HG13 VAL 55 -6.549 -0.396 17.285 406 HG21 VAL 55 HG21 VAL 55 -3.820 -2.778 17.295 407 HG22 VAL 55 HG22 VAL 55 -3.963 -3.298 18.819 408 HG23 VAL 55 HG23 VAL 55 -3.364 -1.826 18.521 409 H ASP 56 H ASP 56 -6.532 1.012 19.576 410 HA ASP 56 HA ASP 56 -4.114 1.956 20.846 411 HB2 ASP 56 HB2 ASP 56 -3.996 3.872 19.483 412 HB3 ASP 56 HB3 ASP 56 -3.868 2.511 18.589 413 H ALA 57 H ALA 57 -6.309 1.244 22.190 414 HA ALA 57 HA ALA 57 -8.107 3.190 22.721 415 HB1 ALA 57 HB1 ALA 57 -8.283 0.898 23.570 416 HB2 ALA 57 HB2 ALA 57 -8.538 1.936 24.783 417 HB3 ALA 57 HB3 ALA 57 -7.103 1.205 24.633 418 H ASP 58 H ASP 58 -4.890 3.043 23.871 419 HA ASP 58 HA ASP 58 -5.186 4.907 25.912 420 HB2 ASP 58 HB2 ASP 58 -2.902 3.812 24.566 421 HB3 ASP 58 HB3 ASP 58 -2.648 5.133 25.492 422 H GLY 59 H GLY 59 -5.264 5.309 22.631 423 HA2 GLY 59 HA2 GLY 59 -5.612 7.246 21.508 424 HA3 GLY 59 HA3 GLY 59 -5.364 8.114 22.868 425 H ASN 60 H ASN 60 -2.912 5.943 21.971 426 HA ASN 60 HA ASN 60 -1.110 8.055 21.679 427 HB2 ASN 60 HB2 ASN 60 0.578 6.377 21.403 428 HB3 ASN 60 HB3 ASN 60 -0.429 5.916 22.604 429 HD21 ASN 60 HD21 ASN 60 1.314 4.257 21.053 430 HD22 ASN 60 HD22 ASN 60 0.292 3.103 20.265 431 H GLY 61 H GLY 61 -2.989 6.347 19.447 432 HA2 GLY 61 HA2 GLY 61 -3.319 6.811 17.281 433 HA3 GLY 61 HA3 GLY 61 -2.367 8.131 17.419 434 H THR 62 H THR 62 -0.725 5.330 18.194 435 HA THR 62 HA THR 62 0.352 5.162 15.543 436 HB THR 62 HB THR 62 2.605 4.800 16.589 437 HG1 THR 62 HG1 THR 62 2.175 4.234 18.601 438 HG21 THR 62 HG21 THR 62 3.019 7.118 17.065 439 HG22 THR 62 HG22 THR 62 1.430 7.394 17.186 440 HG23 THR 62 HG23 THR 62 2.080 7.023 15.752 441 H ILE 63 H ILE 63 1.232 3.136 14.851 442 HA ILE 63 HA ILE 63 0.436 0.929 16.512 443 HB ILE 63 HB ILE 63 0.284 0.980 13.588 444 HG12 ILE 63 HG12 ILE 63 -2.026 0.759 15.269 445 HG13 ILE 63 HG13 ILE 63 -1.464 2.218 14.797 446 HG21 ILE 63 HG21 ILE 63 -0.752 -1.215 13.714 447 HG22 ILE 63 HG22 ILE 63 -0.551 -1.219 15.318 448 HG23 ILE 63 HG23 ILE 63 0.738 -1.273 14.342 449 HD11 ILE 63 HD11 ILE 63 -3.238 1.522 13.363 450 HD12 ILE 63 HD12 ILE 63 -2.421 0.179 12.982 451 HD13 ILE 63 HD13 ILE 63 -1.865 1.624 12.514 452 H ASP 64 H ASP 64 2.112 -0.459 17.016 453 HA ASP 64 HA ASP 64 4.612 -0.063 15.784 454 HB2 ASP 64 HB2 ASP 64 3.792 -2.011 17.753 455 HB3 ASP 64 HB3 ASP 64 5.336 -1.893 17.234 456 H PHE 65 H PHE 65 5.821 -1.613 14.479 457 HA PHE 65 HA PHE 65 4.302 -2.737 12.618 458 HB2 PHE 65 HB2 PHE 65 6.332 -3.706 11.698 459 HB3 PHE 65 HB3 PHE 65 6.692 -2.249 12.342 460 HD1 PHE 65 HD1 PHE 65 7.260 -5.743 12.589 461 HD2 PHE 65 HD2 PHE 65 8.007 -2.083 14.427 462 HE1 PHE 65 HE1 PHE 65 8.955 -6.782 13.958 463 HE2 PHE 65 HE2 PHE 65 9.707 -3.107 15.793 464 HZ PHE 65 HZ PHE 65 10.173 -5.464 15.573 465 HA PRO 66 HA PRO 66 4.386 -6.987 13.990 466 HB2 PRO 66 HB2 PRO 66 4.330 -7.695 16.559 467 HB3 PRO 66 HB3 PRO 66 5.782 -7.478 15.844 468 HG2 PRO 66 HG2 PRO 66 4.326 -5.621 17.433 469 HG3 PRO 66 HG3 PRO 66 5.900 -6.036 17.567 470 HD2 PRO 66 HD2 PRO 66 5.230 -3.874 16.294 471 HD3 PRO 66 HD3 PRO 66 6.508 -4.755 15.789 472 H GLU 67 H GLU 67 2.732 -4.635 15.802 473 HA GLU 67 HA GLU 67 0.470 -6.193 16.265 474 HB2 GLU 67 HB2 GLU 67 0.622 -3.307 16.235 475 HB3 GLU 67 HB3 GLU 67 -0.581 -4.167 16.928 476 HG2 GLU 67 HG2 GLU 67 2.138 -3.992 17.840 477 HG3 GLU 67 HG3 GLU 67 0.811 -3.480 18.641 478 H PHE 68 H PHE 68 1.381 -4.023 13.714 479 HA PHE 68 HA PHE 68 -1.038 -4.078 12.406 480 HB2 PHE 68 HB2 PHE 68 0.593 -2.499 11.764 481 HB3 PHE 68 HB3 PHE 68 1.568 -3.691 11.221 482 HD1 PHE 68 HD1 PHE 68 -1.625 -2.109 10.564 483 HD2 PHE 68 HD2 PHE 68 1.464 -4.398 8.969 484 HE1 PHE 68 HE1 PHE 68 -2.650 -1.965 8.384 485 HE2 PHE 68 HE2 PHE 68 0.450 -4.257 6.785 486 HZ PHE 68 HZ PHE 68 -1.627 -3.066 6.497 487 H LEU 69 H LEU 69 1.711 -6.194 12.251 488 HA LEU 69 HA LEU 69 0.822 -7.777 10.162 489 HB2 LEU 69 HB2 LEU 69 2.988 -7.784 11.707 490 HB3 LEU 69 HB3 LEU 69 2.298 -9.230 12.021 491 HG LEU 69 HG LEU 69 3.039 -8.361 9.386 492 HD11 LEU 69 HD11 LEU 69 4.899 -9.906 9.583 493 HD12 LEU 69 HD12 LEU 69 4.468 -10.220 11.109 494 HD13 LEU 69 HD13 LEU 69 5.011 -8.750 10.709 495 HD21 LEU 69 HD21 LEU 69 2.673 -10.628 8.690 496 HD22 LEU 69 HD22 LEU 69 1.305 -9.991 9.269 497 HD23 LEU 69 HD23 LEU 69 2.172 -11.008 10.180 498 H THR 70 H THR 70 0.364 -7.979 13.602 499 HA THR 70 HA THR 70 -1.061 -10.313 13.650 500 HB THR 70 HB THR 70 -1.300 -8.100 15.560 501 HG1 THR 70 HG1 THR 70 0.197 -10.274 16.168 502 HG21 THR 70 HG21 THR 70 -2.021 -9.732 17.156 503 HG22 THR 70 HG22 THR 70 -1.923 -10.897 16.039 504 HG23 THR 70 HG23 THR 70 -3.051 -9.745 15.910 505 H MET 71 H MET 71 -2.218 -7.042 13.190 506 HA MET 71 HA MET 71 -4.885 -7.570 13.275 507 HB2 MET 71 HB2 MET 71 -3.515 -5.617 11.627 508 HB3 MET 71 HB3 MET 71 -5.142 -5.625 11.771 509 HG2 MET 71 HG2 MET 71 -5.040 -5.038 13.930 510 HG3 MET 71 HG3 MET 71 -3.429 -5.297 13.987 511 HE1 MET 71 HE1 MET 71 -3.402 -1.485 14.315 512 HE2 MET 71 HE2 MET 71 -2.798 -2.867 14.897 513 HE3 MET 71 HE3 MET 71 -4.376 -2.549 15.043 514 H MET 72 H MET 72 -2.756 -7.660 10.500 515 HA MET 72 HA MET 72 -4.785 -8.486 8.767 516 HB2 MET 72 HB2 MET 72 -2.842 -7.298 7.992 517 HB3 MET 72 HB3 MET 72 -1.942 -8.630 8.274 518 HG2 MET 72 HG2 MET 72 -2.439 -8.366 6.004 519 HG3 MET 72 HG3 MET 72 -2.973 -9.785 6.612 520 HE1 MET 72 HE1 MET 72 -5.581 -6.282 5.355 521 HE2 MET 72 HE2 MET 72 -4.008 -6.433 5.008 522 HE3 MET 72 HE3 MET 72 -4.478 -6.153 6.531 523 H ALA 73 H ALA 73 -2.813 -10.204 10.916 524 HA ALA 73 HA ALA 73 -3.166 -12.673 9.607 525 HB1 ALA 73 HB1 ALA 73 -1.292 -12.390 11.096 526 HB2 ALA 73 HB2 ALA 73 -2.184 -13.637 11.610 527 HB3 ALA 73 HB3 ALA 73 -2.297 -12.203 12.349 528 H ARG 74 H ARG 74 -4.676 -11.032 12.261 529 HA ARG 74 HA ARG 74 -6.151 -13.035 13.239 530 HB2 ARG 74 HB2 ARG 74 -5.846 -10.720 14.178 531 HB3 ARG 74 HB3 ARG 74 -7.078 -10.252 13.215 532 HG2 ARG 74 HG2 ARG 74 -8.544 -11.666 14.403 533 HG3 ARG 74 HG3 ARG 74 -7.311 -12.136 15.365 534 HD2 ARG 74 HD2 ARG 74 -7.142 -9.935 16.231 535 HD3 ARG 74 HD3 ARG 74 -8.366 -9.458 15.260 536 HE ARG 74 HE ARG 74 -9.266 -11.596 16.770 537 HH11 ARG 74 HH11 ARG 74 -10.598 -11.332 18.496 538 HH12 ARG 74 HH12 ARG 74 -10.716 -9.803 19.303 539 HH21 ARG 74 HH21 ARG 74 -8.460 -8.194 17.257 540 HH22 ARG 74 HH22 ARG 74 -9.525 -8.054 18.615 541 H LYS 75 H LYS 75 -7.144 -11.219 10.496 542 HA LYS 75 HA LYS 75 -9.791 -11.984 10.685 543 HB2 LYS 75 HB2 LYS 75 -10.160 -10.845 8.803 544 HB3 LYS 75 HB3 LYS 75 -8.676 -10.258 9.155 545 HG2 LYS 75 HG2 LYS 75 -9.146 -12.335 7.208 546 HG3 LYS 75 HG3 LYS 75 -8.912 -10.765 6.827 547 HD2 LYS 75 HD2 LYS 75 -6.746 -10.889 7.770 548 HD3 LYS 75 HD3 LYS 75 -6.985 -12.477 8.064 549 HE2 LYS 75 HE2 LYS 75 -7.266 -12.792 5.673 550 HE3 LYS 75 HE3 LYS 75 -6.792 -11.242 5.470 551 HZ1 LYS 75 HZ1 LYS 75 -4.939 -12.707 5.194 552 HZ2 LYS 75 HZ2 LYS 75 -5.170 -13.293 6.683 553 HZ3 LYS 75 HZ3 LYS 75 -4.701 -11.758 6.483 554 H MET 76 H MET 76 -7.315 -14.000 10.170 555 HA MET 76 HA MET 76 -9.114 -16.011 9.209 556 HB2 MET 76 HB2 MET 76 -6.506 -15.472 8.117 557 HB3 MET 76 HB3 MET 76 -7.132 -16.974 7.988 558 HG2 MET 76 HG2 MET 76 -8.921 -16.158 6.797 559 HG3 MET 76 HG3 MET 76 -8.369 -14.632 6.977 560 HE1 MET 76 HE1 MET 76 -7.917 -15.423 3.141 561 HE2 MET 76 HE2 MET 76 -8.675 -14.438 4.176 562 HE3 MET 76 HE3 MET 76 -9.097 -15.997 4.087 563 H LYS 77 H LYS 77 -8.967 -18.003 10.144 564 HA LYS 77 HA LYS 77 -8.398 -19.485 11.633 565 HB2 LYS 77 HB2 LYS 77 -6.360 -19.496 10.215 566 HB3 LYS 77 HB3 LYS 77 -5.616 -18.675 11.415 567 HG2 LYS 77 HG2 LYS 77 -5.039 -21.011 11.406 568 HG3 LYS 77 HG3 LYS 77 -5.709 -20.547 12.822 569 HD2 LYS 77 HD2 LYS 77 -7.815 -21.445 12.024 570 HD3 LYS 77 HD3 LYS 77 -7.003 -22.064 10.748 571 HE2 LYS 77 HE2 LYS 77 -5.789 -23.473 12.106 572 HE3 LYS 77 HE3 LYS 77 -6.307 -22.712 13.456 573 HZ1 LYS 77 HZ1 LYS 77 -7.517 -24.739 13.143 574 HZ2 LYS 77 HZ2 LYS 77 -8.007 -24.228 11.689 575 HZ3 LYS 77 HZ3 LYS 77 -8.520 -23.476 13.026 576 H ASP 78 H ASP 78 -9.132 -16.984 12.721 577 HA ASP 78 HA ASP 78 -8.082 -17.233 15.437 578 HB2 ASP 78 HB2 ASP 78 -8.297 -15.027 14.417 579 HB3 ASP 78 HB3 ASP 78 -9.912 -15.220 14.573 580 H THR 79 H THR 79 -10.148 -17.127 17.074 581 HA THR 79 HA THR 79 -12.325 -18.583 15.888 582 HB THR 79 HB THR 79 -12.607 -19.796 18.051 583 HG1 THR 79 HG1 THR 79 -10.026 -18.932 18.507 584 HG21 THR 79 HG21 THR 79 -10.904 -21.422 17.575 585 HG22 THR 79 HG22 THR 79 -10.128 -20.359 16.637 586 HG23 THR 79 HG23 THR 79 -11.563 -20.944 16.179 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 5.166 -23.897 15.837 2 H2 ALA 1 H2 ALA 1 3.770 -23.427 15.169 3 H3 ALA 1 H3 ALA 1 4.705 -22.349 15.929 4 HA ALA 1 HA ALA 1 6.350 -22.574 14.295 5 HB1 ALA 1 HB1 ALA 1 5.939 -24.888 13.637 6 HB2 ALA 1 HB2 ALA 1 5.963 -23.955 12.317 7 HB3 ALA 1 HB3 ALA 1 4.552 -24.447 12.934 8 H ASP 2 H ASP 2 6.269 -21.517 12.091 9 HA ASP 2 HA ASP 2 4.453 -19.405 12.213 10 HB2 ASP 2 HB2 ASP 2 6.078 -20.200 9.956 11 HB3 ASP 2 HB3 ASP 2 5.493 -18.698 10.213 12 H GLN 3 H GLN 3 2.746 -18.791 10.782 13 HA GLN 3 HA GLN 3 1.512 -21.082 9.498 14 HB2 GLN 3 HB2 GLN 3 0.442 -20.111 11.553 15 HB3 GLN 3 HB3 GLN 3 -0.066 -18.930 10.547 16 HG2 GLN 3 HG2 GLN 3 -1.383 -20.407 9.354 17 HG3 GLN 3 HG3 GLN 3 -0.717 -21.694 10.105 18 HE21 GLN 3 HE21 GLN 3 -3.298 -19.665 10.030 19 HE22 GLN 3 HE22 GLN 3 -3.971 -20.035 11.582 20 H LEU 4 H LEU 4 3.287 -18.783 8.664 21 HA LEU 4 HA LEU 4 1.797 -18.060 6.286 22 HB2 LEU 4 HB2 LEU 4 3.528 -16.292 7.757 23 HB3 LEU 4 HB3 LEU 4 2.898 -15.932 6.293 24 HG LEU 4 HG LEU 4 1.312 -16.253 8.665 25 HD11 LEU 4 HD11 LEU 4 1.127 -13.830 8.661 26 HD12 LEU 4 HD12 LEU 4 2.141 -13.759 7.403 27 HD13 LEU 4 HD13 LEU 4 2.673 -14.267 8.843 28 HD21 LEU 4 HD21 LEU 4 -0.479 -15.282 7.399 29 HD22 LEU 4 HD22 LEU 4 0.017 -16.657 6.708 30 HD23 LEU 4 HD23 LEU 4 0.470 -15.233 6.090 31 H THR 5 H THR 5 3.098 -18.065 4.338 32 HA THR 5 HA THR 5 5.450 -19.619 4.540 33 HB THR 5 HB THR 5 5.190 -18.572 1.999 34 HG1 THR 5 HG1 THR 5 3.191 -17.793 2.541 35 HG21 THR 5 HG21 THR 5 4.506 -20.775 1.392 36 HG22 THR 5 HG22 THR 5 4.218 -21.134 2.943 37 HG23 THR 5 HG23 THR 5 5.734 -20.888 2.438 38 H GLU 6 H GLU 6 7.630 -18.998 4.213 39 HA GLU 6 HA GLU 6 8.124 -16.378 4.944 40 HB2 GLU 6 HB2 GLU 6 10.444 -16.937 4.805 41 HB3 GLU 6 HB3 GLU 6 9.626 -18.155 5.522 42 HG2 GLU 6 HG2 GLU 6 9.663 -19.328 3.417 43 HG3 GLU 6 HG3 GLU 6 10.635 -18.153 2.832 44 H GLU 7 H GLU 7 8.006 -17.805 1.852 45 HA GLU 7 HA GLU 7 9.355 -15.804 0.491 46 HB2 GLU 7 HB2 GLU 7 8.415 -16.738 -1.482 47 HB3 GLU 7 HB3 GLU 7 8.925 -17.932 -0.492 48 HG2 GLU 7 HG2 GLU 7 6.577 -18.097 0.239 49 HG3 GLU 7 HG3 GLU 7 6.223 -17.200 -1.079 50 H GLN 8 H GLN 8 6.162 -15.977 1.669 51 HA GLN 8 HA GLN 8 5.326 -13.702 0.177 52 HB2 GLN 8 HB2 GLN 8 3.925 -15.428 2.012 53 HB3 GLN 8 HB3 GLN 8 3.207 -14.087 1.416 54 HG2 GLN 8 HG2 GLN 8 3.209 -14.927 -0.729 55 HG3 GLN 8 HG3 GLN 8 4.251 -16.121 -0.331 56 HE21 GLN 8 HE21 GLN 8 1.083 -14.960 0.535 57 HE22 GLN 8 HE22 GLN 8 0.364 -16.529 0.683 58 H ILE 9 H ILE 9 6.764 -14.250 3.165 59 HA ILE 9 HA ILE 9 5.825 -11.969 4.480 60 HB ILE 9 HB ILE 9 8.299 -13.406 4.966 61 HG12 ILE 9 HG12 ILE 9 5.857 -13.396 6.515 62 HG13 ILE 9 HG13 ILE 9 6.228 -14.572 5.445 63 HG21 ILE 9 HG21 ILE 9 8.499 -12.178 7.049 64 HG22 ILE 9 HG22 ILE 9 7.206 -11.290 6.658 65 HG23 ILE 9 HG23 ILE 9 8.573 -11.148 5.805 66 HD11 ILE 9 HD11 ILE 9 6.684 -15.325 7.675 67 HD12 ILE 9 HD12 ILE 9 7.700 -14.088 7.901 68 HD13 ILE 9 HD13 ILE 9 8.067 -15.253 6.840 69 H ALA 10 H ALA 10 8.292 -12.613 2.151 70 HA ALA 10 HA ALA 10 9.567 -10.173 2.203 71 HB1 ALA 10 HB1 ALA 10 10.492 -12.057 1.011 72 HB2 ALA 10 HB2 ALA 10 10.418 -10.789 0.012 73 HB3 ALA 10 HB3 ALA 10 9.308 -11.960 -0.085 74 H GLU 11 H GLU 11 6.722 -11.205 0.535 75 HA GLU 11 HA GLU 11 6.342 -8.849 -0.944 76 HB2 GLU 11 HB2 GLU 11 5.359 -10.976 -1.530 77 HB3 GLU 11 HB3 GLU 11 4.377 -10.852 -0.232 78 HG2 GLU 11 HG2 GLU 11 3.247 -9.063 -1.208 79 HG3 GLU 11 HG3 GLU 11 4.286 -9.061 -2.470 80 H PHE 12 H PHE 12 5.074 -10.028 2.062 81 HA PHE 12 HA PHE 12 3.329 -7.986 2.644 82 HB2 PHE 12 HB2 PHE 12 3.611 -10.118 3.861 83 HB3 PHE 12 HB3 PHE 12 4.887 -9.434 4.618 84 HD1 PHE 12 HD1 PHE 12 1.333 -9.507 4.424 85 HD2 PHE 12 HD2 PHE 12 4.562 -7.758 6.383 86 HE1 PHE 12 HE1 PHE 12 -0.156 -8.697 6.135 87 HE2 PHE 12 HE2 PHE 12 3.073 -6.910 8.088 88 HZ PHE 12 HZ PHE 12 0.708 -7.393 7.971 89 H LYS 13 H LYS 13 6.704 -8.263 3.206 90 HA LYS 13 HA LYS 13 7.080 -6.019 4.713 91 HB2 LYS 13 HB2 LYS 13 8.777 -7.708 4.377 92 HB3 LYS 13 HB3 LYS 13 8.943 -7.225 2.825 93 HG2 LYS 13 HG2 LYS 13 9.765 -5.108 3.661 94 HG3 LYS 13 HG3 LYS 13 9.777 -5.769 5.154 95 HD2 LYS 13 HD2 LYS 13 11.340 -7.369 4.471 96 HD3 LYS 13 HD3 LYS 13 11.271 -6.818 2.936 97 HE2 LYS 13 HE2 LYS 13 12.130 -4.702 3.713 98 HE3 LYS 13 HE3 LYS 13 12.315 -5.361 5.196 99 HZ1 LYS 13 HZ1 LYS 13 14.373 -5.412 4.017 100 HZ2 LYS 13 HZ2 LYS 13 13.684 -6.269 2.831 101 HZ3 LYS 13 HZ3 LYS 13 13.867 -6.922 4.298 102 H GLU 14 H GLU 14 6.844 -6.299 1.267 103 HA GLU 14 HA GLU 14 7.951 -3.855 0.658 104 HB2 GLU 14 HB2 GLU 14 7.438 -5.613 -0.954 105 HB3 GLU 14 HB3 GLU 14 5.879 -5.129 -0.904 106 HG2 GLU 14 HG2 GLU 14 7.855 -3.217 -1.674 107 HG3 GLU 14 HG3 GLU 14 7.386 -4.325 -2.779 108 H ALA 15 H ALA 15 4.589 -4.656 1.182 109 HA ALA 15 HA ALA 15 3.690 -2.079 0.763 110 HB1 ALA 15 HB1 ALA 15 2.184 -3.965 0.707 111 HB2 ALA 15 HB2 ALA 15 1.609 -2.857 1.736 112 HB3 ALA 15 HB3 ALA 15 2.368 -4.167 2.301 113 H PHE 16 H PHE 16 4.732 -3.701 3.634 114 HA PHE 16 HA PHE 16 3.891 -1.726 5.401 115 HB2 PHE 16 HB2 PHE 16 4.596 -4.076 5.915 116 HB3 PHE 16 HB3 PHE 16 6.103 -3.454 6.018 117 HD1 PHE 16 HD1 PHE 16 6.755 -2.041 7.904 118 HD2 PHE 16 HD2 PHE 16 2.908 -3.595 7.616 119 HE1 PHE 16 HE1 PHE 16 6.321 -1.387 10.189 120 HE2 PHE 16 HE2 PHE 16 2.475 -2.971 9.908 121 HZ PHE 16 HZ PHE 16 4.186 -1.869 11.199 122 H SER 17 H SER 17 6.810 -2.229 3.653 123 HA SER 17 HA SER 17 8.353 -0.355 4.895 124 HB2 SER 17 HB2 SER 17 9.261 -2.035 3.359 125 HB3 SER 17 HB3 SER 17 8.639 -1.193 2.105 126 HG SER 17 HG SER 17 10.956 -0.925 3.007 127 H LEU 18 H LEU 18 5.840 0.178 2.748 128 HA LEU 18 HA LEU 18 6.759 2.653 1.821 129 HB2 LEU 18 HB2 LEU 18 4.085 1.538 1.751 130 HB3 LEU 18 HB3 LEU 18 4.497 2.902 0.953 131 HG LEU 18 HG LEU 18 5.662 0.350 0.336 132 HD11 LEU 18 HD11 LEU 18 4.135 0.234 -1.531 133 HD12 LEU 18 HD12 LEU 18 3.411 1.587 -1.020 134 HD13 LEU 18 HD13 LEU 18 3.313 0.235 -0.139 135 HD21 LEU 18 HD21 LEU 18 6.358 1.387 -1.714 136 HD22 LEU 18 HD22 LEU 18 6.980 2.179 -0.449 137 HD23 LEU 18 HD23 LEU 18 5.702 2.786 -1.233 138 H PHE 19 H PHE 19 5.067 1.612 4.579 139 HA PHE 19 HA PHE 19 4.445 4.326 5.224 140 HB2 PHE 19 HB2 PHE 19 3.039 1.923 6.098 141 HB3 PHE 19 HB3 PHE 19 2.618 3.411 6.622 142 HD1 PHE 19 HD1 PHE 19 1.351 4.934 5.214 143 HD2 PHE 19 HD2 PHE 19 2.518 1.197 3.810 144 HE1 PHE 19 HE1 PHE 19 -0.109 5.200 3.309 145 HE2 PHE 19 HE2 PHE 19 1.068 1.447 1.901 146 HZ PHE 19 HZ PHE 19 -0.238 3.458 1.637 147 H ASP 20 H ASP 20 6.244 1.750 6.382 148 HA ASP 20 HA ASP 20 6.413 2.707 9.058 149 HB2 ASP 20 HB2 ASP 20 7.813 0.911 9.484 150 HB3 ASP 20 HB3 ASP 20 6.677 0.350 8.453 151 H LYS 21 H LYS 21 7.322 3.995 6.475 152 HA LYS 21 HA LYS 21 10.013 4.486 6.728 153 HB2 LYS 21 HB2 LYS 21 8.343 4.707 4.769 154 HB3 LYS 21 HB3 LYS 21 8.320 6.271 5.240 155 HG2 LYS 21 HG2 LYS 21 10.805 6.155 4.972 156 HG3 LYS 21 HG3 LYS 21 10.500 4.826 4.073 157 HD2 LYS 21 HD2 LYS 21 10.730 6.696 2.662 158 HD3 LYS 21 HD3 LYS 21 9.199 6.135 2.582 159 HE2 LYS 21 HE2 LYS 21 9.409 8.587 2.751 160 HE3 LYS 21 HE3 LYS 21 8.385 7.904 3.825 161 HZ1 LYS 21 HZ1 LYS 21 9.747 9.518 4.909 162 HZ2 LYS 21 HZ2 LYS 21 11.078 8.727 4.446 163 HZ3 LYS 21 HZ3 LYS 21 10.064 8.050 5.508 164 H ASP 22 H ASP 22 8.086 5.449 8.941 165 HA ASP 22 HA ASP 22 8.533 8.179 9.104 166 HB2 ASP 22 HB2 ASP 22 7.621 8.085 11.263 167 HB3 ASP 22 HB3 ASP 22 6.797 7.006 10.355 168 H GLY 23 H GLY 23 10.454 5.516 9.841 169 HA2 GLY 23 HA2 GLY 23 12.816 6.010 9.866 170 HA3 GLY 23 HA3 GLY 23 12.520 7.240 10.899 171 H ASP 24 H ASP 24 10.540 5.519 12.338 172 HA ASP 24 HA ASP 24 12.479 4.111 13.928 173 HB2 ASP 24 HB2 ASP 24 9.914 5.214 14.616 174 HB3 ASP 24 HB3 ASP 24 10.589 4.090 15.591 175 H GLY 25 H GLY 25 9.845 3.635 11.868 176 HA2 GLY 25 HA2 GLY 25 9.577 1.503 10.898 177 HA3 GLY 25 HA3 GLY 25 10.034 0.789 12.293 178 H THR 26 H THR 26 7.777 3.351 12.344 179 HA THR 26 HA THR 26 5.746 1.452 13.063 180 HB THR 26 HB THR 26 5.491 4.173 14.039 181 HG1 THR 26 HG1 THR 26 7.363 2.425 15.066 182 HG21 THR 26 HG21 THR 26 4.647 3.111 16.001 183 HG22 THR 26 HG22 THR 26 5.041 1.659 15.406 184 HG23 THR 26 HG23 THR 26 3.862 2.522 14.714 185 H ILE 27 H ILE 27 3.522 1.772 12.422 186 HA ILE 27 HA ILE 27 3.298 3.714 10.308 187 HB ILE 27 HB ILE 27 1.575 2.401 9.279 188 HG12 ILE 27 HG12 ILE 27 1.833 0.481 11.393 189 HG13 ILE 27 HG13 ILE 27 0.610 1.559 11.301 190 HG21 ILE 27 HG21 ILE 27 2.899 0.480 8.646 191 HG22 ILE 27 HG22 ILE 27 3.893 0.748 9.893 192 HG23 ILE 27 HG23 ILE 27 3.830 1.803 8.669 193 HD11 ILE 27 HD11 ILE 27 -0.119 -0.575 10.475 194 HD12 ILE 27 HD12 ILE 27 1.055 -0.562 9.364 195 HD13 ILE 27 HD13 ILE 27 -0.156 0.506 9.273 196 H THR 28 H THR 28 1.215 4.913 10.079 197 HA THR 28 HA THR 28 0.289 5.470 12.701 198 HB THR 28 HB THR 28 -0.705 7.514 11.759 199 HG1 THR 28 HG1 THR 28 -1.291 7.411 9.810 200 HG21 THR 28 HG21 THR 28 1.330 8.602 11.080 201 HG22 THR 28 HG22 THR 28 2.042 7.168 10.858 202 HG23 THR 28 HG23 THR 28 1.651 7.654 12.349 203 H THR 29 H THR 29 -1.893 5.499 13.388 204 HA THR 29 HA THR 29 -3.439 3.511 12.379 205 HB THR 29 HB THR 29 -5.287 4.689 13.726 206 HG1 THR 29 HG1 THR 29 -3.163 6.360 14.330 207 HG21 THR 29 HG21 THR 29 -4.271 4.229 15.837 208 HG22 THR 29 HG22 THR 29 -2.812 4.162 15.143 209 HG23 THR 29 HG23 THR 29 -3.915 3.025 14.818 210 H LYS 30 H LYS 30 -3.294 6.779 11.454 211 HA LYS 30 HA LYS 30 -5.781 6.838 10.201 212 HB2 LYS 30 HB2 LYS 30 -3.538 8.670 9.963 213 HB3 LYS 30 HB3 LYS 30 -5.013 9.008 9.350 214 HG2 LYS 30 HG2 LYS 30 -5.889 8.832 11.609 215 HG3 LYS 30 HG3 LYS 30 -4.345 8.751 12.134 216 HD2 LYS 30 HD2 LYS 30 -3.934 10.908 11.271 217 HD3 LYS 30 HD3 LYS 30 -5.475 10.989 10.735 218 HE2 LYS 30 HE2 LYS 30 -6.256 10.810 12.990 219 HE3 LYS 30 HE3 LYS 30 -4.709 10.774 13.513 220 HZ1 LYS 30 HZ1 LYS 30 -5.609 12.943 13.779 221 HZ2 LYS 30 HZ2 LYS 30 -5.927 13.019 12.195 222 HZ3 LYS 30 HZ3 LYS 30 -4.394 12.983 12.712 223 H GLU 31 H GLU 31 -2.931 5.523 9.156 224 HA GLU 31 HA GLU 31 -3.918 5.544 6.444 225 HB2 GLU 31 HB2 GLU 31 -1.162 5.405 7.298 226 HB3 GLU 31 HB3 GLU 31 -1.606 5.171 5.744 227 HG2 GLU 31 HG2 GLU 31 -2.569 7.410 5.799 228 HG3 GLU 31 HG3 GLU 31 -1.822 7.615 7.238 229 H LEU 32 H LEU 32 -4.152 3.708 8.903 230 HA LEU 32 HA LEU 32 -3.115 1.251 8.365 231 HB2 LEU 32 HB2 LEU 32 -4.431 2.017 10.307 232 HB3 LEU 32 HB3 LEU 32 -5.767 1.699 9.422 233 HG LEU 32 HG LEU 32 -4.004 -0.277 10.496 234 HD11 LEU 32 HD11 LEU 32 -5.951 -0.726 11.961 235 HD12 LEU 32 HD12 LEU 32 -6.760 0.466 11.228 236 HD13 LEU 32 HD13 LEU 32 -5.479 0.808 12.153 237 HD21 LEU 32 HD21 LEU 32 -5.523 -1.933 9.858 238 HD22 LEU 32 HD22 LEU 32 -4.904 -1.179 8.569 239 HD23 LEU 32 HD23 LEU 32 -6.403 -0.832 9.068 240 H GLY 33 H GLY 33 -6.206 2.454 7.273 241 HA2 GLY 33 HA2 GLY 33 -6.892 0.188 5.832 242 HA3 GLY 33 HA3 GLY 33 -7.550 1.671 5.640 243 H THR 34 H THR 34 -4.868 2.800 4.993 244 HA THR 34 HA THR 34 -5.067 2.514 2.247 245 HB THR 34 HB THR 34 -2.723 3.622 3.598 246 HG1 THR 34 HG1 THR 34 -4.194 4.789 4.555 247 HG21 THR 34 HG21 THR 34 -2.570 5.056 1.690 248 HG22 THR 34 HG22 THR 34 -3.905 4.392 1.061 249 HG23 THR 34 HG23 THR 34 -2.548 3.520 1.182 250 H VAL 35 H VAL 35 -2.902 1.174 4.614 251 HA VAL 35 HA VAL 35 -1.192 -0.058 2.849 252 HB VAL 35 HB VAL 35 -1.715 -1.189 5.499 253 HG11 VAL 35 HG11 VAL 35 0.608 -1.819 5.453 254 HG12 VAL 35 HG12 VAL 35 0.771 -1.138 3.996 255 HG13 VAL 35 HG13 VAL 35 -0.154 -2.451 4.174 256 HG21 VAL 35 HG21 VAL 35 -0.178 0.355 6.473 257 HG22 VAL 35 HG22 VAL 35 -1.440 1.149 5.849 258 HG23 VAL 35 HG23 VAL 35 -0.032 1.119 5.055 259 H MET 36 H MET 36 -3.994 -1.196 4.545 260 HA MET 36 HA MET 36 -3.956 -3.746 3.538 261 HB2 MET 36 HB2 MET 36 -5.611 -2.261 5.173 262 HB3 MET 36 HB3 MET 36 -6.553 -3.101 4.137 263 HG2 MET 36 HG2 MET 36 -6.260 -4.897 5.173 264 HG3 MET 36 HG3 MET 36 -4.638 -4.707 5.156 265 HE1 MET 36 HE1 MET 36 -7.382 -3.103 8.354 266 HE2 MET 36 HE2 MET 36 -7.862 -4.072 7.152 267 HE3 MET 36 HE3 MET 36 -7.393 -2.557 6.832 268 H ARG 37 H ARG 37 -5.317 -0.894 2.176 269 HA ARG 37 HA ARG 37 -6.912 -2.193 0.338 270 HB2 ARG 37 HB2 ARG 37 -7.103 0.170 0.811 271 HB3 ARG 37 HB3 ARG 37 -5.758 0.421 -0.081 272 HG2 ARG 37 HG2 ARG 37 -6.825 -0.215 -2.019 273 HG3 ARG 37 HG3 ARG 37 -8.108 -0.795 -1.192 274 HD2 ARG 37 HD2 ARG 37 -8.722 1.413 -0.598 275 HD3 ARG 37 HD3 ARG 37 -7.440 1.991 -1.429 276 HE ARG 37 HE ARG 37 -8.854 0.441 -3.196 277 HH11 ARG 37 HH11 ARG 37 -9.387 3.457 -1.466 278 HH12 ARG 37 HH12 ARG 37 -10.479 4.052 -2.671 279 HH21 ARG 37 HH21 ARG 37 -10.247 1.267 -4.692 280 HH22 ARG 37 HH22 ARG 37 -10.959 2.831 -4.469 281 H SER 38 H SER 38 -3.562 -1.354 0.219 282 HA SER 38 HA SER 38 -3.141 -1.985 -2.448 283 HB2 SER 38 HB2 SER 38 -1.490 -0.854 -1.031 284 HB3 SER 38 HB3 SER 38 -1.121 -2.312 -0.397 285 HG SER 38 HG SER 38 -0.979 -1.792 -3.093 286 H LEU 39 H LEU 39 -3.201 -3.849 0.438 287 HA LEU 39 HA LEU 39 -2.498 -6.281 -0.761 288 HB2 LEU 39 HB2 LEU 39 -2.972 -5.363 1.821 289 HB3 LEU 39 HB3 LEU 39 -3.712 -6.805 1.623 290 HG LEU 39 HG LEU 39 -1.607 -7.783 1.085 291 HD11 LEU 39 HD11 LEU 39 0.433 -6.585 1.470 292 HD12 LEU 39 HD12 LEU 39 -0.409 -5.236 1.759 293 HD13 LEU 39 HD13 LEU 39 -0.411 -5.888 0.279 294 HD21 LEU 39 HD21 LEU 39 -0.743 -7.749 3.355 295 HD22 LEU 39 HD22 LEU 39 -2.356 -7.872 3.379 296 HD23 LEU 39 HD23 LEU 39 -1.649 -6.448 3.675 297 H GLY 40 H GLY 40 -5.167 -4.640 -1.249 298 HA2 GLY 40 HA2 GLY 40 -6.960 -5.418 -2.422 299 HA3 GLY 40 HA3 GLY 40 -6.587 -6.963 -2.045 300 H GLN 41 H GLN 41 -6.678 -5.258 0.764 301 HA GLN 41 HA GLN 41 -9.352 -6.192 1.276 302 HB2 GLN 41 HB2 GLN 41 -7.426 -6.873 2.709 303 HB3 GLN 41 HB3 GLN 41 -7.528 -5.374 3.348 304 HG2 GLN 41 HG2 GLN 41 -9.884 -5.965 3.841 305 HG3 GLN 41 HG3 GLN 41 -9.407 -7.508 3.595 306 HE21 GLN 41 HE21 GLN 41 -7.140 -7.926 4.792 307 HE22 GLN 41 HE22 GLN 41 -7.225 -7.515 6.472 308 H ASN 42 H ASN 42 -11.047 -4.776 1.592 309 HA ASN 42 HA ASN 42 -10.344 -2.049 2.250 310 HB2 ASN 42 HB2 ASN 42 -10.735 -2.348 -0.175 311 HB3 ASN 42 HB3 ASN 42 -12.300 -2.624 0.199 312 HD21 ASN 42 HD21 ASN 42 -13.337 -0.950 -0.714 313 HD22 ASN 42 HD22 ASN 42 -12.983 0.698 -0.313 314 HA PRO 43 HA PRO 43 -13.722 -3.481 4.855 315 HB2 PRO 43 HB2 PRO 43 -12.769 -2.777 7.250 316 HB3 PRO 43 HB3 PRO 43 -12.140 -4.107 6.541 317 HG2 PRO 43 HG2 PRO 43 -11.115 -1.457 6.487 318 HG3 PRO 43 HG3 PRO 43 -10.319 -2.828 6.875 319 HD2 PRO 43 HD2 PRO 43 -10.120 -1.863 4.471 320 HD3 PRO 43 HD3 PRO 43 -10.146 -3.481 4.691 321 H THR 44 H THR 44 -15.234 -2.502 6.414 322 HA THR 44 HA THR 44 -15.956 -0.034 5.419 323 HB THR 44 HB THR 44 -17.185 -0.665 7.922 324 HG1 THR 44 HG1 THR 44 -18.171 -2.584 6.722 325 HG21 THR 44 HG21 THR 44 -19.210 -0.606 6.653 326 HG22 THR 44 HG22 THR 44 -18.368 -0.585 5.273 327 HG23 THR 44 HG23 THR 44 -18.324 0.690 6.267 328 H GLU 45 H GLU 45 -16.349 1.982 6.633 329 HA GLU 45 HA GLU 45 -14.105 2.860 7.959 330 HB2 GLU 45 HB2 GLU 45 -15.825 4.202 6.801 331 HB3 GLU 45 HB3 GLU 45 -16.746 4.044 8.139 332 HG2 GLU 45 HG2 GLU 45 -15.211 5.305 9.374 333 HG3 GLU 45 HG3 GLU 45 -14.230 5.417 8.074 334 H ALA 46 H ALA 46 -16.974 1.437 9.193 335 HA ALA 46 HA ALA 46 -16.582 2.144 11.837 336 HB1 ALA 46 HB1 ALA 46 -18.719 1.305 11.062 337 HB2 ALA 46 HB2 ALA 46 -18.237 0.427 12.331 338 HB3 ALA 46 HB3 ALA 46 -18.070 -0.159 10.833 339 H GLU 47 H GLU 47 -15.752 -0.809 10.137 340 HA GLU 47 HA GLU 47 -14.708 -2.110 12.282 341 HB2 GLU 47 HB2 GLU 47 -13.341 -2.669 9.852 342 HB3 GLU 47 HB3 GLU 47 -14.048 -3.729 10.875 343 HG2 GLU 47 HG2 GLU 47 -15.470 -2.184 8.930 344 HG3 GLU 47 HG3 GLU 47 -15.037 -3.745 8.727 345 H LEU 48 H LEU 48 -13.252 0.140 10.105 346 HA LEU 48 HA LEU 48 -10.638 -0.215 10.876 347 HB2 LEU 48 HB2 LEU 48 -11.975 2.026 9.671 348 HB3 LEU 48 HB3 LEU 48 -10.389 2.143 10.040 349 HG LEU 48 HG LEU 48 -11.411 0.150 8.243 350 HD11 LEU 48 HD11 LEU 48 -10.636 1.550 6.434 351 HD12 LEU 48 HD12 LEU 48 -10.245 2.703 7.497 352 HD13 LEU 48 HD13 LEU 48 -11.796 2.307 7.267 353 HD21 LEU 48 HD21 LEU 48 -9.110 -0.107 7.559 354 HD22 LEU 48 HD22 LEU 48 -9.255 -0.411 9.140 355 HD23 LEU 48 HD23 LEU 48 -8.662 1.008 8.642 356 H GLN 49 H GLN 49 -13.091 1.907 12.144 357 HA GLN 49 HA GLN 49 -11.383 3.145 13.966 358 HB2 GLN 49 HB2 GLN 49 -14.266 2.973 13.930 359 HB3 GLN 49 HB3 GLN 49 -13.473 3.865 15.045 360 HG2 GLN 49 HG2 GLN 49 -12.702 5.327 13.431 361 HG3 GLN 49 HG3 GLN 49 -13.240 4.361 12.229 362 HE21 GLN 49 HE21 GLN 49 -15.371 4.342 11.593 363 HE22 GLN 49 HE22 GLN 49 -16.481 5.542 12.164 364 H ASP 50 H ASP 50 -13.559 0.443 14.183 365 HA ASP 50 HA ASP 50 -13.270 0.104 16.898 366 HB2 ASP 50 HB2 ASP 50 -14.209 -1.721 14.865 367 HB3 ASP 50 HB3 ASP 50 -14.211 -2.162 16.438 368 H MET 51 H MET 51 -11.388 -1.298 14.308 369 HA MET 51 HA MET 51 -10.000 -2.990 16.041 370 HB2 MET 51 HB2 MET 51 -8.512 -3.452 14.288 371 HB3 MET 51 HB3 MET 51 -10.039 -3.439 13.710 372 HG2 MET 51 HG2 MET 51 -9.683 -1.296 12.866 373 HG3 MET 51 HG3 MET 51 -8.145 -1.349 13.410 374 HE1 MET 51 HE1 MET 51 -9.803 -3.788 9.928 375 HE2 MET 51 HE2 MET 51 -10.573 -2.552 10.631 376 HE3 MET 51 HE3 MET 51 -10.373 -3.941 11.433 377 H ILE 52 H ILE 52 -9.547 0.295 15.135 378 HA ILE 52 HA ILE 52 -6.983 0.625 16.225 379 HB ILE 52 HB ILE 52 -9.051 2.585 15.648 380 HG12 ILE 52 HG12 ILE 52 -6.479 2.339 14.365 381 HG13 ILE 52 HG13 ILE 52 -7.767 1.485 13.836 382 HG21 ILE 52 HG21 ILE 52 -7.497 4.363 16.100 383 HG22 ILE 52 HG22 ILE 52 -6.410 3.290 16.630 384 HG23 ILE 52 HG23 ILE 52 -7.782 3.524 17.453 385 HD11 ILE 52 HD11 ILE 52 -7.474 3.448 12.478 386 HD12 ILE 52 HD12 ILE 52 -7.608 4.390 13.785 387 HD13 ILE 52 HD13 ILE 52 -8.884 3.545 13.261 388 H ASN 53 H ASN 53 -10.226 0.942 17.426 389 HA ASN 53 HA ASN 53 -9.534 1.813 19.936 390 HB2 ASN 53 HB2 ASN 53 -11.968 0.507 19.033 391 HB3 ASN 53 HB3 ASN 53 -11.838 1.079 20.557 392 HD21 ASN 53 HD21 ASN 53 -13.638 1.756 18.328 393 HD22 ASN 53 HD22 ASN 53 -13.488 3.474 18.167 394 H GLU 54 H GLU 54 -9.312 -1.289 18.617 395 HA GLU 54 HA GLU 54 -9.480 -2.605 21.094 396 HB2 GLU 54 HB2 GLU 54 -10.048 -3.766 19.051 397 HB3 GLU 54 HB3 GLU 54 -8.478 -3.714 18.605 398 HG2 GLU 54 HG2 GLU 54 -7.890 -5.160 20.361 399 HG3 GLU 54 HG3 GLU 54 -9.420 -5.137 20.930 400 H VAL 55 H VAL 55 -6.872 -1.576 19.017 401 HA VAL 55 HA VAL 55 -5.046 -2.706 20.841 402 HB VAL 55 HB VAL 55 -3.279 -2.171 19.156 403 HG11 VAL 55 HG11 VAL 55 -4.015 -3.813 17.548 404 HG12 VAL 55 HG12 VAL 55 -5.522 -3.700 18.126 405 HG13 VAL 55 HG13 VAL 55 -4.346 -4.318 19.049 406 HG21 VAL 55 HG21 VAL 55 -3.931 -1.357 16.992 407 HG22 VAL 55 HG22 VAL 55 -4.267 -0.250 18.122 408 HG23 VAL 55 HG23 VAL 55 -5.451 -1.168 17.512 409 H ASP 56 H ASP 56 -5.848 0.499 19.856 410 HA ASP 56 HA ASP 56 -4.262 1.388 22.061 411 HB2 ASP 56 HB2 ASP 56 -3.318 3.222 20.997 412 HB3 ASP 56 HB3 ASP 56 -2.969 1.890 20.120 413 H ALA 57 H ALA 57 -6.592 0.909 22.674 414 HA ALA 57 HA ALA 57 -8.591 2.602 22.221 415 HB1 ALA 57 HB1 ALA 57 -8.750 0.602 23.671 416 HB2 ALA 57 HB2 ALA 57 -9.482 1.847 24.400 417 HB3 ALA 57 HB3 ALA 57 -7.991 1.410 24.848 418 H ASP 58 H ASP 58 -5.932 3.359 24.242 419 HA ASP 58 HA ASP 58 -7.150 5.584 25.421 420 HB2 ASP 58 HB2 ASP 58 -4.422 4.638 25.413 421 HB3 ASP 58 HB3 ASP 58 -4.758 6.080 26.099 422 H GLY 59 H GLY 59 -6.119 5.188 22.368 423 HA2 GLY 59 HA2 GLY 59 -6.098 6.762 20.731 424 HA3 GLY 59 HA3 GLY 59 -6.218 7.959 21.835 425 H ASN 60 H ASN 60 -3.775 5.537 21.056 426 HA ASN 60 HA ASN 60 -1.763 7.524 21.477 427 HB2 ASN 60 HB2 ASN 60 -0.912 5.663 22.378 428 HB3 ASN 60 HB3 ASN 60 -1.766 4.691 21.382 429 HD21 ASN 60 HD21 ASN 60 1.194 6.143 21.998 430 HD22 ASN 60 HD22 ASN 60 2.038 5.507 20.627 431 H GLY 61 H GLY 61 -3.226 5.936 18.815 432 HA2 GLY 61 HA2 GLY 61 -3.300 6.846 16.749 433 HA3 GLY 61 HA3 GLY 61 -2.128 7.914 17.138 434 H THR 62 H THR 62 -0.726 5.062 17.754 435 HA THR 62 HA THR 62 0.150 4.733 15.030 436 HB THR 62 HB THR 62 2.360 4.025 16.349 437 HG1 THR 62 HG1 THR 62 1.430 4.731 18.297 438 HG21 THR 62 HG21 THR 62 3.284 6.142 15.682 439 HG22 THR 62 HG22 THR 62 1.797 6.746 15.485 440 HG23 THR 62 HG23 THR 62 2.341 5.596 14.488 441 H ILE 63 H ILE 63 1.158 2.544 14.552 442 HA ILE 63 HA ILE 63 0.025 0.560 16.294 443 HB ILE 63 HB ILE 63 -0.015 0.351 13.377 444 HG12 ILE 63 HG12 ILE 63 -2.341 0.634 15.055 445 HG13 ILE 63 HG13 ILE 63 -1.640 1.905 14.304 446 HG21 ILE 63 HG21 ILE 63 -1.285 -1.701 13.671 447 HG22 ILE 63 HG22 ILE 63 -1.144 -1.564 15.276 448 HG23 ILE 63 HG23 ILE 63 0.164 -1.854 14.371 449 HD11 ILE 63 HD11 ILE 63 -3.521 1.168 13.081 450 HD12 ILE 63 HD12 ILE 63 -2.875 -0.308 12.945 451 HD13 ILE 63 HD13 ILE 63 -2.182 0.950 12.202 452 H ASP 64 H ASP 64 1.457 -0.888 17.061 453 HA ASP 64 HA ASP 64 4.058 -0.882 16.077 454 HB2 ASP 64 HB2 ASP 64 2.715 -2.357 18.144 455 HB3 ASP 64 HB3 ASP 64 4.182 -2.901 17.677 456 H PHE 65 H PHE 65 5.317 -2.593 15.164 457 HA PHE 65 HA PHE 65 4.140 -3.800 13.072 458 HB2 PHE 65 HB2 PHE 65 6.564 -3.468 13.421 459 HB3 PHE 65 HB3 PHE 65 6.560 -4.794 14.374 460 HD1 PHE 65 HD1 PHE 65 6.159 -7.062 13.337 461 HD2 PHE 65 HD2 PHE 65 6.775 -3.630 11.076 462 HE1 PHE 65 HE1 PHE 65 6.638 -8.427 11.402 463 HE2 PHE 65 HE2 PHE 65 7.216 -4.976 9.128 464 HZ PHE 65 HZ PHE 65 7.141 -7.382 9.284 465 HA PRO 66 HA PRO 66 3.740 -7.919 14.988 466 HB2 PRO 66 HB2 PRO 66 3.371 -7.458 17.848 467 HB3 PRO 66 HB3 PRO 66 4.254 -8.662 17.187 468 HG2 PRO 66 HG2 PRO 66 5.464 -6.768 18.292 469 HG3 PRO 66 HG3 PRO 66 6.039 -7.325 16.869 470 HD2 PRO 66 HD2 PRO 66 4.388 -5.016 17.286 471 HD3 PRO 66 HD3 PRO 66 5.775 -5.097 16.426 472 H GLU 67 H GLU 67 2.093 -5.365 16.529 473 HA GLU 67 HA GLU 67 -0.277 -6.732 16.938 474 HB2 GLU 67 HB2 GLU 67 0.027 -3.872 16.610 475 HB3 GLU 67 HB3 GLU 67 -1.256 -4.593 17.318 476 HG2 GLU 67 HG2 GLU 67 1.419 -4.526 18.390 477 HG3 GLU 67 HG3 GLU 67 0.141 -3.703 18.985 478 H PHE 68 H PHE 68 0.874 -4.844 14.276 479 HA PHE 68 HA PHE 68 -1.444 -4.815 12.796 480 HB2 PHE 68 HB2 PHE 68 0.505 -3.484 12.289 481 HB3 PHE 68 HB3 PHE 68 1.254 -4.829 11.742 482 HD1 PHE 68 HD1 PHE 68 -1.662 -2.769 11.070 483 HD2 PHE 68 HD2 PHE 68 1.135 -5.395 9.462 484 HE1 PHE 68 HE1 PHE 68 -2.537 -2.335 8.863 485 HE2 PHE 68 HE2 PHE 68 0.282 -4.957 7.244 486 HZ PHE 68 HZ PHE 68 -1.552 -3.415 6.943 487 H LEU 69 H LEU 69 1.134 -7.151 12.850 488 HA LEU 69 HA LEU 69 0.069 -8.798 10.900 489 HB2 LEU 69 HB2 LEU 69 2.068 -9.116 12.910 490 HB3 LEU 69 HB3 LEU 69 1.501 -10.498 12.249 491 HG LEU 69 HG LEU 69 2.715 -8.440 10.664 492 HD11 LEU 69 HD11 LEU 69 4.735 -9.768 10.718 493 HD12 LEU 69 HD12 LEU 69 4.032 -10.793 11.752 494 HD13 LEU 69 HD13 LEU 69 4.357 -9.277 12.211 495 HD21 LEU 69 HD21 LEU 69 2.940 -10.171 9.005 496 HD22 LEU 69 HD22 LEU 69 1.383 -9.978 9.392 497 HD23 LEU 69 HD23 LEU 69 2.217 -11.223 9.998 498 H THR 70 H THR 70 -0.253 -8.788 14.346 499 HA THR 70 HA THR 70 -1.603 -11.174 14.537 500 HB THR 70 HB THR 70 -1.700 -8.958 16.458 501 HG1 THR 70 HG1 THR 70 -0.019 -11.148 16.573 502 HG21 THR 70 HG21 THR 70 -2.203 -10.603 18.124 503 HG22 THR 70 HG22 THR 70 -2.183 -11.769 17.005 504 HG23 THR 70 HG23 THR 70 -3.353 -10.652 16.987 505 H MET 71 H MET 71 -2.856 -7.919 14.315 506 HA MET 71 HA MET 71 -5.490 -8.581 14.634 507 HB2 MET 71 HB2 MET 71 -4.282 -6.372 13.228 508 HB3 MET 71 HB3 MET 71 -5.909 -6.502 13.284 509 HG2 MET 71 HG2 MET 71 -5.784 -6.422 15.634 510 HG3 MET 71 HG3 MET 71 -4.177 -6.160 15.506 511 HE1 MET 71 HE1 MET 71 -3.807 -2.640 14.112 512 HE2 MET 71 HE2 MET 71 -3.510 -4.082 13.444 513 HE3 MET 71 HE3 MET 71 -3.077 -3.796 14.976 514 H MET 72 H MET 72 -3.561 -8.468 11.734 515 HA MET 72 HA MET 72 -5.667 -8.910 10.012 516 HB2 MET 72 HB2 MET 72 -3.363 -8.132 9.453 517 HB3 MET 72 HB3 MET 72 -2.978 -9.717 9.356 518 HG2 MET 72 HG2 MET 72 -4.473 -10.029 7.652 519 HG3 MET 72 HG3 MET 72 -5.022 -8.499 7.806 520 HE1 MET 72 HE1 MET 72 -2.217 -6.276 6.408 521 HE2 MET 72 HE2 MET 72 -2.591 -6.590 7.949 522 HE3 MET 72 HE3 MET 72 -3.764 -6.293 6.877 523 H ALA 73 H ALA 73 -3.921 -11.121 11.913 524 HA ALA 73 HA ALA 73 -4.518 -13.387 10.459 525 HB1 ALA 73 HB1 ALA 73 -2.789 -13.375 12.170 526 HB2 ALA 73 HB2 ALA 73 -3.804 -14.604 12.445 527 HB3 ALA 73 HB3 ALA 73 -3.922 -13.248 13.318 528 H ARG 74 H ARG 74 -6.447 -11.635 12.695 529 HA ARG 74 HA ARG 74 -8.230 -13.620 13.361 530 HB2 ARG 74 HB2 ARG 74 -8.531 -10.762 13.301 531 HB3 ARG 74 HB3 ARG 74 -9.860 -11.665 13.592 532 HG2 ARG 74 HG2 ARG 74 -9.268 -11.276 15.667 533 HG3 ARG 74 HG3 ARG 74 -8.380 -12.623 15.417 534 HD2 ARG 74 HD2 ARG 74 -6.494 -11.228 14.888 535 HD3 ARG 74 HD3 ARG 74 -7.392 -9.920 15.279 536 HE ARG 74 HE ARG 74 -7.229 -10.391 17.519 537 HH11 ARG 74 HH11 ARG 74 -5.705 -12.918 15.590 538 HH12 ARG 74 HH12 ARG 74 -4.983 -13.657 16.980 539 HH21 ARG 74 HH21 ARG 74 -6.309 -11.408 19.237 540 HH22 ARG 74 HH22 ARG 74 -5.321 -12.812 19.012 541 H LYS 75 H LYS 75 -7.949 -11.646 10.615 542 HA LYS 75 HA LYS 75 -10.446 -11.967 9.526 543 HB2 LYS 75 HB2 LYS 75 -8.461 -10.477 8.874 544 HB3 LYS 75 HB3 LYS 75 -8.167 -11.668 7.797 545 HG2 LYS 75 HG2 LYS 75 -10.783 -10.652 7.729 546 HG3 LYS 75 HG3 LYS 75 -9.627 -9.602 7.249 547 HD2 LYS 75 HD2 LYS 75 -9.028 -10.897 5.488 548 HD3 LYS 75 HD3 LYS 75 -9.737 -12.226 6.118 549 HE2 LYS 75 HE2 LYS 75 -11.878 -11.097 5.806 550 HE3 LYS 75 HE3 LYS 75 -11.075 -9.970 4.941 551 HZ1 LYS 75 HZ1 LYS 75 -12.006 -11.599 3.493 552 HZ2 LYS 75 HZ2 LYS 75 -11.188 -12.763 4.263 553 HZ3 LYS 75 HZ3 LYS 75 -10.392 -11.646 3.405 554 H MET 76 H MET 76 -7.976 -14.261 9.683 555 HA MET 76 HA MET 76 -9.038 -15.841 7.586 556 HB2 MET 76 HB2 MET 76 -6.933 -16.316 9.464 557 HB3 MET 76 HB3 MET 76 -7.506 -17.565 8.581 558 HG2 MET 76 HG2 MET 76 -5.711 -16.858 7.484 559 HG3 MET 76 HG3 MET 76 -6.997 -16.327 6.629 560 HE1 MET 76 HE1 MET 76 -5.994 -12.876 5.898 561 HE2 MET 76 HE2 MET 76 -7.268 -13.871 5.837 562 HE3 MET 76 HE3 MET 76 -5.840 -14.347 5.243 563 H LYS 77 H LYS 77 -8.725 -16.194 11.025 564 HA LYS 77 HA LYS 77 -11.255 -16.747 11.728 565 HB2 LYS 77 HB2 LYS 77 -11.216 -18.803 10.536 566 HB3 LYS 77 HB3 LYS 77 -9.908 -19.285 11.386 567 HG2 LYS 77 HG2 LYS 77 -11.249 -19.324 13.376 568 HG3 LYS 77 HG3 LYS 77 -12.555 -18.919 12.482 569 HD2 LYS 77 HD2 LYS 77 -11.063 -21.335 12.072 570 HD3 LYS 77 HD3 LYS 77 -12.424 -21.267 12.972 571 HE2 LYS 77 HE2 LYS 77 -13.644 -20.560 11.031 572 HE3 LYS 77 HE3 LYS 77 -12.283 -20.713 10.142 573 HZ1 LYS 77 HZ1 LYS 77 -13.632 -22.645 9.906 574 HZ2 LYS 77 HZ2 LYS 77 -13.586 -22.885 11.504 575 HZ3 LYS 77 HZ3 LYS 77 -12.237 -23.036 10.624 576 H ASP 78 H ASP 78 -11.274 -16.543 13.991 577 HA ASP 78 HA ASP 78 -9.184 -17.709 15.564 578 HB2 ASP 78 HB2 ASP 78 -8.345 -15.488 14.987 579 HB3 ASP 78 HB3 ASP 78 -9.553 -14.891 15.911 580 H THR 79 H THR 79 -9.912 -16.694 18.030 581 HA THR 79 HA THR 79 -12.642 -17.370 18.335 582 HB THR 79 HB THR 79 -12.221 -16.760 20.713 583 HG1 THR 79 HG1 THR 79 -9.598 -16.777 20.499 584 HG21 THR 79 HG21 THR 79 -10.806 -18.668 21.128 585 HG22 THR 79 HG22 THR 79 -10.357 -18.693 19.575 586 HG23 THR 79 HG23 THR 79 -11.876 -19.066 19.983 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -2.028 -16.244 17.298 2 H2 ALA 1 H2 ALA 1 -2.331 -16.381 15.715 3 H3 ALA 1 H3 ALA 1 -0.971 -15.665 16.220 4 HA ALA 1 HA ALA 1 -0.177 -17.693 17.068 5 HB1 ALA 1 HB1 ALA 1 -2.312 -18.739 17.625 6 HB2 ALA 1 HB2 ALA 1 -1.424 -19.766 16.748 7 HB3 ALA 1 HB3 ALA 1 -2.627 -18.940 16.053 8 H ASP 2 H ASP 2 0.693 -19.591 15.694 9 HA ASP 2 HA ASP 2 1.695 -18.447 13.394 10 HB2 ASP 2 HB2 ASP 2 1.785 -21.240 14.226 11 HB3 ASP 2 HB3 ASP 2 2.719 -20.653 13.022 12 H GLN 3 H GLN 3 0.231 -17.875 11.780 13 HA GLN 3 HA GLN 3 -0.790 -20.094 10.336 14 HB2 GLN 3 HB2 GLN 3 -2.502 -18.978 11.958 15 HB3 GLN 3 HB3 GLN 3 -2.761 -18.057 10.634 16 HG2 GLN 3 HG2 GLN 3 -3.222 -20.085 9.398 17 HG3 GLN 3 HG3 GLN 3 -3.136 -20.907 10.808 18 HE21 GLN 3 HE21 GLN 3 -4.524 -19.666 12.616 19 HE22 GLN 3 HE22 GLN 3 -6.161 -19.425 12.106 20 H LEU 4 H LEU 4 1.245 -18.105 9.873 21 HA LEU 4 HA LEU 4 0.235 -16.991 7.394 22 HB2 LEU 4 HB2 LEU 4 2.203 -15.786 9.119 23 HB3 LEU 4 HB3 LEU 4 1.824 -15.205 7.641 24 HG LEU 4 HG LEU 4 0.011 -15.226 9.870 25 HD11 LEU 4 HD11 LEU 4 0.395 -12.826 9.954 26 HD12 LEU 4 HD12 LEU 4 1.482 -12.964 8.766 27 HD13 LEU 4 HD13 LEU 4 1.782 -13.616 10.215 28 HD21 LEU 4 HD21 LEU 4 -1.410 -13.833 8.533 29 HD22 LEU 4 HD22 LEU 4 -1.194 -15.266 7.815 30 HD23 LEU 4 HD23 LEU 4 -0.381 -13.970 7.292 31 H THR 5 H THR 5 1.790 -16.936 5.597 32 HA THR 5 HA THR 5 3.856 -18.908 5.959 33 HB THR 5 HB THR 5 3.800 -19.186 3.517 34 HG1 THR 5 HG1 THR 5 1.688 -18.159 2.738 35 HG21 THR 5 HG21 THR 5 1.673 -20.294 3.398 36 HG22 THR 5 HG22 THR 5 1.177 -19.520 4.729 37 HG23 THR 5 HG23 THR 5 2.348 -20.630 4.829 38 H GLU 6 H GLU 6 5.980 -18.517 4.945 39 HA GLU 6 HA GLU 6 6.909 -15.969 5.398 40 HB2 GLU 6 HB2 GLU 6 8.110 -18.066 3.799 41 HB3 GLU 6 HB3 GLU 6 8.933 -16.752 4.315 42 HG2 GLU 6 HG2 GLU 6 8.742 -17.444 6.541 43 HG3 GLU 6 HG3 GLU 6 7.765 -18.681 6.110 44 H GLU 7 H GLU 7 5.693 -17.407 2.557 45 HA GLU 7 HA GLU 7 6.468 -15.568 0.684 46 HB2 GLU 7 HB2 GLU 7 5.258 -17.750 0.395 47 HB3 GLU 7 HB3 GLU 7 3.889 -16.889 0.621 48 HG2 GLU 7 HG2 GLU 7 4.024 -17.064 -1.624 49 HG3 GLU 7 HG3 GLU 7 4.610 -15.567 -1.336 50 H GLN 8 H GLN 8 3.680 -15.573 2.751 51 HA GLN 8 HA GLN 8 2.663 -13.195 1.632 52 HB2 GLN 8 HB2 GLN 8 1.778 -14.699 3.939 53 HB3 GLN 8 HB3 GLN 8 0.958 -13.410 3.362 54 HG2 GLN 8 HG2 GLN 8 1.425 -15.642 1.629 55 HG3 GLN 8 HG3 GLN 8 0.192 -15.715 2.697 56 HE21 GLN 8 HE21 GLN 8 1.453 -13.901 0.016 57 HE22 GLN 8 HE22 GLN 8 -0.078 -13.301 -0.527 58 H ILE 9 H ILE 9 4.652 -13.981 4.294 59 HA ILE 9 HA ILE 9 4.393 -11.577 5.660 60 HB ILE 9 HB ILE 9 6.595 -13.467 5.714 61 HG12 ILE 9 HG12 ILE 9 4.664 -12.933 7.798 62 HG13 ILE 9 HG13 ILE 9 4.403 -14.083 6.668 63 HG21 ILE 9 HG21 ILE 9 7.475 -12.312 7.654 64 HG22 ILE 9 HG22 ILE 9 6.347 -11.165 7.492 65 HG23 ILE 9 HG23 ILE 9 7.504 -11.324 6.374 66 HD11 ILE 9 HD11 ILE 9 5.199 -15.089 8.691 67 HD12 ILE 9 HD12 ILE 9 6.538 -14.186 8.631 68 HD13 ILE 9 HD13 ILE 9 6.282 -15.325 7.513 69 H ALA 10 H ALA 10 6.339 -12.559 2.953 70 HA ALA 10 HA ALA 10 7.914 -10.295 2.814 71 HB1 ALA 10 HB1 ALA 10 8.426 -12.259 1.509 72 HB2 ALA 10 HB2 ALA 10 8.363 -10.977 0.526 73 HB3 ALA 10 HB3 ALA 10 7.117 -12.007 0.593 74 H GLU 11 H GLU 11 4.853 -11.017 1.319 75 HA GLU 11 HA GLU 11 4.523 -8.640 -0.062 76 HB2 GLU 11 HB2 GLU 11 3.199 -10.626 -0.433 77 HB3 GLU 11 HB3 GLU 11 2.454 -10.378 0.999 78 HG2 GLU 11 HG2 GLU 11 1.481 -8.406 0.139 79 HG3 GLU 11 HG3 GLU 11 2.203 -8.684 -1.298 80 H PHE 12 H PHE 12 3.566 -9.572 3.114 81 HA PHE 12 HA PHE 12 2.186 -7.303 3.846 82 HB2 PHE 12 HB2 PHE 12 2.237 -9.433 5.057 83 HB3 PHE 12 HB3 PHE 12 3.733 -9.046 5.587 84 HD1 PHE 12 HD1 PHE 12 0.261 -8.442 6.019 85 HD2 PHE 12 HD2 PHE 12 4.051 -7.352 7.343 86 HE1 PHE 12 HE1 PHE 12 -0.720 -7.425 7.968 87 HE2 PHE 12 HE2 PHE 12 3.074 -6.312 9.291 88 HZ PHE 12 HZ PHE 12 0.685 -6.375 9.617 89 H LYS 13 H LYS 13 5.550 -8.083 4.176 90 HA LYS 13 HA LYS 13 6.218 -5.792 5.554 91 HB2 LYS 13 HB2 LYS 13 7.641 -7.751 5.458 92 HB3 LYS 13 HB3 LYS 13 8.008 -7.378 3.911 93 HG2 LYS 13 HG2 LYS 13 9.034 -5.363 4.667 94 HG3 LYS 13 HG3 LYS 13 8.718 -5.801 6.208 95 HD2 LYS 13 HD2 LYS 13 10.128 -7.670 5.971 96 HD3 LYS 13 HD3 LYS 13 10.437 -7.244 4.425 97 HE2 LYS 13 HE2 LYS 13 11.379 -5.181 5.208 98 HE3 LYS 13 HE3 LYS 13 11.129 -5.671 6.746 99 HZ1 LYS 13 HZ1 LYS 13 13.378 -6.053 6.123 100 HZ2 LYS 13 HZ2 LYS 13 12.890 -6.978 4.891 101 HZ3 LYS 13 HZ3 LYS 13 12.642 -7.463 6.413 102 H GLU 14 H GLU 14 6.179 -6.450 2.145 103 HA GLU 14 HA GLU 14 7.514 -4.188 1.327 104 HB2 GLU 14 HB2 GLU 14 7.015 -5.950 -0.178 105 HB3 GLU 14 HB3 GLU 14 5.427 -5.577 -0.102 106 HG2 GLU 14 HG2 GLU 14 6.250 -4.757 -2.124 107 HG3 GLU 14 HG3 GLU 14 5.915 -3.474 -1.172 108 H ALA 15 H ALA 15 4.077 -4.684 1.832 109 HA ALA 15 HA ALA 15 3.364 -2.112 1.152 110 HB1 ALA 15 HB1 ALA 15 1.726 -3.866 1.300 111 HB2 ALA 15 HB2 ALA 15 1.242 -2.609 2.195 112 HB3 ALA 15 HB3 ALA 15 1.899 -3.904 2.908 113 H PHE 16 H PHE 16 4.270 -3.468 4.219 114 HA PHE 16 HA PHE 16 3.604 -1.261 5.752 115 HB2 PHE 16 HB2 PHE 16 4.132 -3.514 6.591 116 HB3 PHE 16 HB3 PHE 16 5.710 -3.116 6.438 117 HD1 PHE 16 HD1 PHE 16 6.833 -1.817 8.123 118 HD2 PHE 16 HD2 PHE 16 2.707 -2.340 8.274 119 HE1 PHE 16 HE1 PHE 16 6.800 -0.884 10.351 120 HE2 PHE 16 HE2 PHE 16 2.661 -1.408 10.501 121 HZ PHE 16 HZ PHE 16 4.712 -0.660 11.536 122 H SER 17 H SER 17 6.478 -2.084 4.035 123 HA SER 17 HA SER 17 8.087 -0.114 5.064 124 HB2 SER 17 HB2 SER 17 8.338 -1.437 2.462 125 HB3 SER 17 HB3 SER 17 9.568 -0.632 3.174 126 HG SER 17 HG SER 17 9.903 -2.181 4.542 127 H LEU 18 H LEU 18 5.632 0.168 2.786 128 HA LEU 18 HA LEU 18 6.588 2.405 1.454 129 HB2 LEU 18 HB2 LEU 18 3.827 1.626 1.826 130 HB3 LEU 18 HB3 LEU 18 4.314 2.737 0.732 131 HG LEU 18 HG LEU 18 4.964 -0.054 0.562 132 HD11 LEU 18 HD11 LEU 18 3.302 -0.133 -1.202 133 HD12 LEU 18 HD12 LEU 18 2.938 1.418 -0.924 134 HD13 LEU 18 HD13 LEU 18 2.606 0.297 0.193 135 HD21 LEU 18 HD21 LEU 18 5.715 0.415 -1.657 136 HD22 LEU 18 HD22 LEU 18 6.582 1.257 -0.582 137 HD23 LEU 18 HD23 LEU 18 5.416 1.988 -1.431 138 H PHE 19 H PHE 19 5.060 1.925 4.440 139 HA PHE 19 HA PHE 19 4.615 4.749 4.790 140 HB2 PHE 19 HB2 PHE 19 3.496 2.591 6.366 141 HB3 PHE 19 HB3 PHE 19 3.033 4.155 6.459 142 HD1 PHE 19 HD1 PHE 19 1.781 5.191 4.535 143 HD2 PHE 19 HD2 PHE 19 2.533 1.110 4.769 144 HE1 PHE 19 HE1 PHE 19 0.118 4.792 2.830 145 HE2 PHE 19 HE2 PHE 19 0.910 0.702 3.035 146 HZ PHE 19 HZ PHE 19 -0.309 2.540 2.068 147 H ASP 20 H ASP 20 6.017 2.043 6.446 148 HA ASP 20 HA ASP 20 7.258 3.644 8.442 149 HB2 ASP 20 HB2 ASP 20 6.633 1.374 8.880 150 HB3 ASP 20 HB3 ASP 20 7.740 0.871 7.787 151 H LYS 21 H LYS 21 7.975 4.914 6.290 152 HA LYS 21 HA LYS 21 10.267 3.817 5.108 153 HB2 LYS 21 HB2 LYS 21 8.789 5.219 3.846 154 HB3 LYS 21 HB3 LYS 21 9.161 6.483 4.810 155 HG2 LYS 21 HG2 LYS 21 10.279 6.727 2.759 156 HG3 LYS 21 HG3 LYS 21 11.381 6.481 3.939 157 HD2 LYS 21 HD2 LYS 21 11.125 4.035 3.153 158 HD3 LYS 21 HD3 LYS 21 10.732 4.776 1.752 159 HE2 LYS 21 HE2 LYS 21 13.015 4.408 1.639 160 HE3 LYS 21 HE3 LYS 21 12.847 6.005 1.939 161 HZ1 LYS 21 HZ1 LYS 21 14.536 5.084 3.345 162 HZ2 LYS 21 HZ2 LYS 21 13.472 4.030 3.953 163 HZ3 LYS 21 HZ3 LYS 21 13.304 5.611 4.250 164 H ASP 22 H ASP 22 9.767 5.942 7.727 165 HA ASP 22 HA ASP 22 12.442 6.834 7.695 166 HB2 ASP 22 HB2 ASP 22 11.868 7.881 9.864 167 HB3 ASP 22 HB3 ASP 22 11.041 8.420 8.563 168 H GLY 23 H GLY 23 10.796 4.213 9.049 169 HA2 GLY 23 HA2 GLY 23 11.885 2.351 9.829 170 HA3 GLY 23 HA3 GLY 23 13.263 3.200 10.047 171 H ASP 24 H ASP 24 10.487 4.595 11.384 172 HA ASP 24 HA ASP 24 11.472 4.286 13.990 173 HB2 ASP 24 HB2 ASP 24 9.359 5.717 12.853 174 HB3 ASP 24 HB3 ASP 24 8.981 5.151 14.337 175 H GLY 25 H GLY 25 9.445 2.453 12.005 176 HA2 GLY 25 HA2 GLY 25 8.872 0.278 12.446 177 HA3 GLY 25 HA3 GLY 25 9.200 0.472 14.034 178 H THR 26 H THR 26 7.176 2.804 12.742 179 HA THR 26 HA THR 26 4.819 1.413 13.550 180 HB THR 26 HB THR 26 5.603 2.706 15.527 181 HG1 THR 26 HG1 THR 26 3.657 3.354 16.157 182 HG21 THR 26 HG21 THR 26 5.362 5.088 15.508 183 HG22 THR 26 HG22 THR 26 4.929 5.050 13.951 184 HG23 THR 26 HG23 THR 26 6.439 4.664 14.380 185 H ILE 27 H ILE 27 2.760 2.476 12.932 186 HA ILE 27 HA ILE 27 3.173 4.381 10.835 187 HB ILE 27 HB ILE 27 1.435 3.348 9.452 188 HG12 ILE 27 HG12 ILE 27 1.437 1.154 11.301 189 HG13 ILE 27 HG13 ILE 27 0.278 2.303 11.294 190 HG21 ILE 27 HG21 ILE 27 2.747 1.467 8.694 191 HG22 ILE 27 HG22 ILE 27 3.625 1.522 10.052 192 HG23 ILE 27 HG23 ILE 27 3.718 2.729 8.979 193 HD11 ILE 27 HD11 ILE 27 -0.499 0.353 10.141 194 HD12 ILE 27 HD12 ILE 27 0.743 0.451 9.109 195 HD13 ILE 27 HD13 ILE 27 -0.406 1.589 9.103 196 H THR 28 H THR 28 1.180 5.740 10.326 197 HA THR 28 HA THR 28 0.013 6.376 12.812 198 HB THR 28 HB THR 28 -0.924 8.349 11.701 199 HG1 THR 28 HG1 THR 28 -1.456 7.722 9.748 200 HG21 THR 28 HG21 THR 28 1.144 9.408 11.084 201 HG22 THR 28 HG22 THR 28 1.871 7.966 10.987 202 HG23 THR 28 HG23 THR 28 1.390 8.535 12.423 203 H THR 29 H THR 29 -2.258 6.501 13.315 204 HA THR 29 HA THR 29 -3.640 4.364 12.421 205 HB THR 29 HB THR 29 -5.635 5.539 13.522 206 HG1 THR 29 HG1 THR 29 -5.321 7.617 13.289 207 HG21 THR 29 HG21 THR 29 -4.707 5.484 15.715 208 HG22 THR 29 HG22 THR 29 -3.211 5.471 15.102 209 HG23 THR 29 HG23 THR 29 -4.180 4.192 14.897 210 H LYS 30 H LYS 30 -3.695 7.531 11.095 211 HA LYS 30 HA LYS 30 -6.054 7.186 9.685 212 HB2 LYS 30 HB2 LYS 30 -5.529 9.186 8.542 213 HB3 LYS 30 HB3 LYS 30 -5.057 9.365 10.096 214 HG2 LYS 30 HG2 LYS 30 -2.827 9.024 9.505 215 HG3 LYS 30 HG3 LYS 30 -3.255 8.690 7.965 216 HD2 LYS 30 HD2 LYS 30 -4.111 10.963 7.829 217 HD3 LYS 30 HD3 LYS 30 -3.369 11.244 9.256 218 HE2 LYS 30 HE2 LYS 30 -1.288 10.657 8.307 219 HE3 LYS 30 HE3 LYS 30 -2.018 10.322 6.886 220 HZ1 LYS 30 HZ1 LYS 30 -0.955 12.407 6.784 221 HZ2 LYS 30 HZ2 LYS 30 -1.830 12.931 8.039 222 HZ3 LYS 30 HZ3 LYS 30 -2.553 12.598 6.631 223 H GLU 31 H GLU 31 -2.975 5.999 9.112 224 HA GLU 31 HA GLU 31 -3.484 5.629 6.327 225 HB2 GLU 31 HB2 GLU 31 -1.172 6.014 7.778 226 HB3 GLU 31 HB3 GLU 31 -1.020 4.606 6.964 227 HG2 GLU 31 HG2 GLU 31 -0.120 6.131 5.554 228 HG3 GLU 31 HG3 GLU 31 -1.620 5.898 4.952 229 H LEU 32 H LEU 32 -4.213 4.013 8.973 230 HA LEU 32 HA LEU 32 -3.331 1.453 8.623 231 HB2 LEU 32 HB2 LEU 32 -4.716 2.511 10.434 232 HB3 LEU 32 HB3 LEU 32 -5.989 1.983 9.559 233 HG LEU 32 HG LEU 32 -4.109 0.259 10.854 234 HD11 LEU 32 HD11 LEU 32 -5.990 -0.106 12.414 235 HD12 LEU 32 HD12 LEU 32 -6.875 0.954 11.574 236 HD13 LEU 32 HD13 LEU 32 -5.590 1.460 12.413 237 HD21 LEU 32 HD21 LEU 32 -5.549 -1.531 10.449 238 HD22 LEU 32 HD22 LEU 32 -5.004 -0.898 9.065 239 HD23 LEU 32 HD23 LEU 32 -6.506 -0.572 9.566 240 H GLY 33 H GLY 33 -6.299 2.827 7.378 241 HA2 GLY 33 HA2 GLY 33 -7.081 0.547 5.993 242 HA3 GLY 33 HA3 GLY 33 -7.637 2.059 5.724 243 H THR 34 H THR 34 -4.926 3.051 5.171 244 HA THR 34 HA THR 34 -4.959 2.662 2.436 245 HB THR 34 HB THR 34 -2.675 3.767 3.892 246 HG1 THR 34 HG1 THR 34 -4.692 4.665 4.587 247 HG21 THR 34 HG21 THR 34 -2.390 5.156 1.966 248 HG22 THR 34 HG22 THR 34 -3.699 4.504 1.277 249 HG23 THR 34 HG23 THR 34 -2.369 3.611 1.493 250 H VAL 35 H VAL 35 -3.124 1.175 4.979 251 HA VAL 35 HA VAL 35 -1.281 -0.024 3.355 252 HB VAL 35 HB VAL 35 -2.126 -1.250 5.860 253 HG11 VAL 35 HG11 VAL 35 0.145 -2.096 5.949 254 HG12 VAL 35 HG12 VAL 35 0.475 -1.368 4.543 255 HG13 VAL 35 HG13 VAL 35 -0.569 -2.602 4.589 256 HG21 VAL 35 HG21 VAL 35 -0.526 0.095 7.007 257 HG22 VAL 35 HG22 VAL 35 -1.654 1.031 6.325 258 HG23 VAL 35 HG23 VAL 35 -0.198 0.887 5.637 259 H MET 36 H MET 36 -4.335 -1.287 4.583 260 HA MET 36 HA MET 36 -4.174 -3.713 3.303 261 HB2 MET 36 HB2 MET 36 -6.467 -2.240 4.210 262 HB3 MET 36 HB3 MET 36 -6.687 -3.654 3.421 263 HG2 MET 36 HG2 MET 36 -6.717 -4.427 5.409 264 HG3 MET 36 HG3 MET 36 -5.106 -4.494 5.149 265 HE1 MET 36 HE1 MET 36 -7.323 -1.667 7.850 266 HE2 MET 36 HE2 MET 36 -7.861 -3.093 7.310 267 HE3 MET 36 HE3 MET 36 -7.728 -1.841 6.295 268 H ARG 37 H ARG 37 -5.330 -0.646 2.217 269 HA ARG 37 HA ARG 37 -6.455 -1.515 -0.143 270 HB2 ARG 37 HB2 ARG 37 -6.846 0.677 0.814 271 HB3 ARG 37 HB3 ARG 37 -5.351 1.122 0.329 272 HG2 ARG 37 HG2 ARG 37 -5.960 1.021 -1.888 273 HG3 ARG 37 HG3 ARG 37 -7.383 0.310 -1.518 274 HD2 ARG 37 HD2 ARG 37 -8.116 2.317 -0.484 275 HD3 ARG 37 HD3 ARG 37 -6.696 3.028 -0.866 276 HE ARG 37 HE ARG 37 -7.342 3.301 -3.044 277 HH11 ARG 37 HH11 ARG 37 -9.677 1.276 -1.347 278 HH12 ARG 37 HH12 ARG 37 -10.805 1.337 -2.660 279 HH21 ARG 37 HH21 ARG 37 -8.822 3.305 -4.679 280 HH22 ARG 37 HH22 ARG 37 -10.328 2.466 -4.512 281 H SER 38 H SER 38 -3.180 -0.982 0.648 282 HA SER 38 HA SER 38 -2.172 -0.694 -1.893 283 HB2 SER 38 HB2 SER 38 -0.828 -0.376 0.124 284 HB3 SER 38 HB3 SER 38 -0.755 -1.999 0.290 285 HG SER 38 HG SER 38 0.020 -1.564 -2.091 286 H LEU 39 H LEU 39 -3.121 -3.498 -0.145 287 HA LEU 39 HA LEU 39 -2.185 -5.249 -2.196 288 HB2 LEU 39 HB2 LEU 39 -3.483 -5.888 0.300 289 HB3 LEU 39 HB3 LEU 39 -2.949 -7.026 -0.744 290 HG LEU 39 HG LEU 39 -1.375 -7.152 0.744 291 HD11 LEU 39 HD11 LEU 39 0.635 -6.007 0.081 292 HD12 LEU 39 HD12 LEU 39 -0.244 -5.024 -0.855 293 HD13 LEU 39 HD13 LEU 39 -0.146 -6.600 -1.205 294 HD21 LEU 39 HD21 LEU 39 -0.564 -5.330 2.119 295 HD22 LEU 39 HD22 LEU 39 -2.168 -5.484 2.255 296 HD23 LEU 39 HD23 LEU 39 -1.544 -4.313 1.329 297 H GLY 40 H GLY 40 -4.680 -3.341 -1.999 298 HA2 GLY 40 HA2 GLY 40 -6.552 -3.340 -3.286 299 HA3 GLY 40 HA3 GLY 40 -6.289 -4.890 -3.730 300 H GLN 41 H GLN 41 -6.154 -4.941 -0.509 301 HA GLN 41 HA GLN 41 -8.633 -6.210 -0.249 302 HB2 GLN 41 HB2 GLN 41 -6.738 -6.805 1.084 303 HB3 GLN 41 HB3 GLN 41 -6.814 -5.353 1.829 304 HG2 GLN 41 HG2 GLN 41 -7.685 -7.091 3.197 305 HG3 GLN 41 HG3 GLN 41 -8.815 -5.956 2.880 306 HE21 GLN 41 HE21 GLN 41 -7.644 -9.018 1.698 307 HE22 GLN 41 HE22 GLN 41 -9.197 -9.622 1.225 308 H ASN 42 H ASN 42 -10.607 -5.549 0.444 309 HA ASN 42 HA ASN 42 -10.785 -2.801 1.229 310 HB2 ASN 42 HB2 ASN 42 -12.825 -2.579 -0.071 311 HB3 ASN 42 HB3 ASN 42 -11.569 -2.997 -1.029 312 HD21 ASN 42 HD21 ASN 42 -14.667 -3.467 -0.706 313 HD22 ASN 42 HD22 ASN 42 -14.817 -5.099 -1.268 314 HA PRO 43 HA PRO 43 -13.029 -5.039 4.376 315 HB2 PRO 43 HB2 PRO 43 -12.019 -3.934 6.561 316 HB3 PRO 43 HB3 PRO 43 -11.137 -5.083 5.807 317 HG2 PRO 43 HG2 PRO 43 -10.906 -2.260 5.554 318 HG3 PRO 43 HG3 PRO 43 -9.714 -3.342 5.826 319 HD2 PRO 43 HD2 PRO 43 -10.157 -2.472 3.406 320 HD3 PRO 43 HD3 PRO 43 -9.662 -4.010 3.641 321 H THR 44 H THR 44 -14.633 -4.367 5.980 322 HA THR 44 HA THR 44 -16.013 -2.176 4.979 323 HB THR 44 HB THR 44 -17.112 -2.831 7.416 324 HG1 THR 44 HG1 THR 44 -15.534 -4.516 7.405 325 HG21 THR 44 HG21 THR 44 -18.778 -3.969 6.134 326 HG22 THR 44 HG22 THR 44 -17.801 -3.987 4.845 327 HG23 THR 44 HG23 THR 44 -18.405 -2.586 5.381 328 H GLU 45 H GLU 45 -16.667 -0.202 6.059 329 HA GLU 45 HA GLU 45 -14.618 1.081 7.396 330 HB2 GLU 45 HB2 GLU 45 -16.505 2.083 6.154 331 HB3 GLU 45 HB3 GLU 45 -17.402 1.856 7.501 332 HG2 GLU 45 HG2 GLU 45 -16.112 3.387 8.674 333 HG3 GLU 45 HG3 GLU 45 -15.084 3.537 7.413 334 H ALA 46 H ALA 46 -17.333 -0.670 8.592 335 HA ALA 46 HA ALA 46 -17.081 0.079 11.241 336 HB1 ALA 46 HB1 ALA 46 -19.075 -1.033 10.421 337 HB2 ALA 46 HB2 ALA 46 -18.511 -1.844 11.701 338 HB3 ALA 46 HB3 ALA 46 -18.235 -2.398 10.207 339 H GLU 47 H GLU 47 -15.609 -2.458 9.426 340 HA GLU 47 HA GLU 47 -14.392 -3.757 11.597 341 HB2 GLU 47 HB2 GLU 47 -14.823 -4.759 9.434 342 HB3 GLU 47 HB3 GLU 47 -13.606 -3.856 8.823 343 HG2 GLU 47 HG2 GLU 47 -12.032 -5.155 9.690 344 HG3 GLU 47 HG3 GLU 47 -12.953 -5.586 10.967 345 H LEU 48 H LEU 48 -13.433 -1.258 9.440 346 HA LEU 48 HA LEU 48 -10.811 -1.041 10.245 347 HB2 LEU 48 HB2 LEU 48 -11.676 0.065 8.319 348 HB3 LEU 48 HB3 LEU 48 -12.534 1.066 9.283 349 HG LEU 48 HG LEU 48 -10.495 2.032 10.050 350 HD11 LEU 48 HD11 LEU 48 -8.432 1.580 8.944 351 HD12 LEU 48 HD12 LEU 48 -9.140 0.401 8.094 352 HD13 LEU 48 HD13 LEU 48 -8.973 0.255 9.697 353 HD21 LEU 48 HD21 LEU 48 -10.037 3.259 7.999 354 HD22 LEU 48 HD22 LEU 48 -11.633 3.073 8.186 355 HD23 LEU 48 HD23 LEU 48 -10.825 2.127 7.153 356 H GLN 49 H GLN 49 -13.711 0.444 11.449 357 HA GLN 49 HA GLN 49 -12.500 2.044 13.338 358 HB2 GLN 49 HB2 GLN 49 -14.821 2.258 12.621 359 HB3 GLN 49 HB3 GLN 49 -15.181 0.956 13.539 360 HG2 GLN 49 HG2 GLN 49 -14.455 2.229 15.471 361 HG3 GLN 49 HG3 GLN 49 -14.353 3.535 14.497 362 HE21 GLN 49 HE21 GLN 49 -16.017 2.848 16.869 363 HE22 GLN 49 HE22 GLN 49 -17.634 3.202 16.355 364 H ASP 50 H ASP 50 -13.692 -1.189 13.521 365 HA ASP 50 HA ASP 50 -13.530 -1.624 16.210 366 HB2 ASP 50 HB2 ASP 50 -14.361 -3.108 14.308 367 HB3 ASP 50 HB3 ASP 50 -12.855 -3.738 14.363 368 H MET 51 H MET 51 -10.988 -2.050 13.838 369 HA MET 51 HA MET 51 -9.222 -2.911 15.826 370 HB2 MET 51 HB2 MET 51 -7.648 -3.264 14.151 371 HB3 MET 51 HB3 MET 51 -9.093 -3.620 13.480 372 HG2 MET 51 HG2 MET 51 -8.630 -1.057 12.996 373 HG3 MET 51 HG3 MET 51 -7.230 -1.843 12.694 374 HE1 MET 51 HE1 MET 51 -8.279 -4.283 9.891 375 HE2 MET 51 HE2 MET 51 -8.156 -4.580 11.476 376 HE3 MET 51 HE3 MET 51 -7.017 -3.711 10.726 377 H ILE 52 H ILE 52 -9.948 0.190 14.698 378 HA ILE 52 HA ILE 52 -7.534 1.395 15.430 379 HB ILE 52 HB ILE 52 -10.151 2.588 14.977 380 HG12 ILE 52 HG12 ILE 52 -7.758 3.002 13.416 381 HG13 ILE 52 HG13 ILE 52 -8.766 1.757 13.100 382 HG21 ILE 52 HG21 ILE 52 -9.161 4.806 15.108 383 HG22 ILE 52 HG22 ILE 52 -7.751 4.156 15.558 384 HG23 ILE 52 HG23 ILE 52 -9.031 4.068 16.542 385 HD11 ILE 52 HD11 ILE 52 -9.205 3.566 11.590 386 HD12 ILE 52 HD12 ILE 52 -9.503 4.552 12.836 387 HD13 ILE 52 HD13 ILE 52 -10.502 3.319 12.524 388 H ASN 53 H ASN 53 -10.411 0.582 17.110 389 HA ASN 53 HA ASN 53 -10.148 2.129 19.302 390 HB2 ASN 53 HB2 ASN 53 -11.566 -0.217 18.697 391 HB3 ASN 53 HB3 ASN 53 -11.188 -0.176 20.285 392 HD21 ASN 53 HD21 ASN 53 -12.620 0.644 21.614 393 HD22 ASN 53 HD22 ASN 53 -13.799 1.827 21.155 394 H GLU 54 H GLU 54 -8.282 -0.591 18.542 395 HA GLU 54 HA GLU 54 -7.425 -1.366 21.017 396 HB2 GLU 54 HB2 GLU 54 -6.963 -2.507 18.894 397 HB3 GLU 54 HB3 GLU 54 -5.837 -1.368 18.573 398 HG2 GLU 54 HG2 GLU 54 -4.629 -3.170 19.259 399 HG3 GLU 54 HG3 GLU 54 -4.651 -2.187 20.564 400 H VAL 55 H VAL 55 -6.084 1.102 18.957 401 HA VAL 55 HA VAL 55 -4.080 1.643 20.910 402 HB VAL 55 HB VAL 55 -3.085 3.098 19.240 403 HG11 VAL 55 HG11 VAL 55 -2.462 1.319 17.696 404 HG12 VAL 55 HG12 VAL 55 -3.698 0.424 18.233 405 HG13 VAL 55 HG13 VAL 55 -2.453 0.755 19.212 406 HG21 VAL 55 HG21 VAL 55 -4.001 3.201 17.034 407 HG22 VAL 55 HG22 VAL 55 -5.036 3.837 18.102 408 HG23 VAL 55 HG23 VAL 55 -5.285 2.348 17.522 409 H ASP 56 H ASP 56 -7.071 2.754 20.164 410 HA ASP 56 HA ASP 56 -6.742 5.371 21.149 411 HB2 ASP 56 HB2 ASP 56 -9.041 3.835 20.435 412 HB3 ASP 56 HB3 ASP 56 -9.277 5.165 21.354 413 H ALA 57 H ALA 57 -7.262 2.260 22.421 414 HA ALA 57 HA ALA 57 -8.316 2.989 24.886 415 HB1 ALA 57 HB1 ALA 57 -8.512 0.715 24.055 416 HB2 ALA 57 HB2 ALA 57 -7.842 0.684 25.527 417 HB3 ALA 57 HB3 ALA 57 -6.915 0.513 24.212 418 H ASP 58 H ASP 58 -5.055 2.221 23.904 419 HA ASP 58 HA ASP 58 -3.965 2.874 26.429 420 HB2 ASP 58 HB2 ASP 58 -2.921 1.876 24.022 421 HB3 ASP 58 HB3 ASP 58 -1.885 2.889 24.775 422 H GLY 59 H GLY 59 -4.829 4.515 23.631 423 HA2 GLY 59 HA2 GLY 59 -4.942 6.747 23.309 424 HA3 GLY 59 HA3 GLY 59 -4.268 7.016 24.772 425 H ASN 60 H ASN 60 -2.437 5.012 22.784 426 HA ASN 60 HA ASN 60 -0.453 7.014 22.643 427 HB2 ASN 60 HB2 ASN 60 0.993 5.276 21.845 428 HB3 ASN 60 HB3 ASN 60 0.134 4.700 23.109 429 HD21 ASN 60 HD21 ASN 60 1.310 3.813 20.324 430 HD22 ASN 60 HD22 ASN 60 0.105 2.681 19.809 431 H GLY 61 H GLY 61 -2.752 5.718 20.497 432 HA2 GLY 61 HA2 GLY 61 -3.337 6.442 18.469 433 HA3 GLY 61 HA3 GLY 61 -2.451 7.790 18.727 434 H THR 62 H THR 62 -0.603 4.973 18.671 435 HA THR 62 HA THR 62 0.057 5.385 15.884 436 HB THR 62 HB THR 62 2.397 4.855 16.383 437 HG1 THR 62 HG1 THR 62 2.735 5.262 18.798 438 HG21 THR 62 HG21 THR 62 2.968 6.960 17.378 439 HG22 THR 62 HG22 THR 62 1.443 7.156 17.879 440 HG23 THR 62 HG23 THR 62 1.788 7.204 16.300 441 H ILE 63 H ILE 63 0.924 3.345 14.818 442 HA ILE 63 HA ILE 63 -0.007 1.028 16.266 443 HB ILE 63 HB ILE 63 -0.316 1.328 13.399 444 HG12 ILE 63 HG12 ILE 63 -2.461 1.358 15.327 445 HG13 ILE 63 HG13 ILE 63 -1.828 2.725 14.695 446 HG21 ILE 63 HG21 ILE 63 -1.563 -0.752 13.519 447 HG22 ILE 63 HG22 ILE 63 -1.265 -0.844 15.105 448 HG23 ILE 63 HG23 ILE 63 -0.053 -0.991 14.044 449 HD11 ILE 63 HD11 ILE 63 -3.819 2.155 13.581 450 HD12 ILE 63 HD12 ILE 63 -3.201 0.716 13.177 451 HD13 ILE 63 HD13 ILE 63 -2.575 2.069 12.551 452 H ASP 64 H ASP 64 1.843 0.119 16.937 453 HA ASP 64 HA ASP 64 4.178 0.273 15.396 454 HB2 ASP 64 HB2 ASP 64 3.606 -1.132 17.844 455 HB3 ASP 64 HB3 ASP 64 5.087 -1.170 17.157 456 H PHE 65 H PHE 65 5.417 -1.519 14.497 457 HA PHE 65 HA PHE 65 3.966 -3.034 12.864 458 HB2 PHE 65 HB2 PHE 65 6.342 -2.712 12.607 459 HB3 PHE 65 HB3 PHE 65 6.620 -3.697 13.880 460 HD1 PHE 65 HD1 PHE 65 7.134 -5.954 13.511 461 HD2 PHE 65 HD2 PHE 65 5.178 -3.796 10.543 462 HE1 PHE 65 HE1 PHE 65 7.357 -7.829 12.009 463 HE2 PHE 65 HE2 PHE 65 5.393 -5.658 9.028 464 HZ PHE 65 HZ PHE 65 6.484 -7.683 9.760 465 HA PRO 66 HA PRO 66 3.864 -6.845 15.280 466 HB2 PRO 66 HB2 PRO 66 3.939 -6.865 17.965 467 HB3 PRO 66 HB3 PRO 66 5.342 -6.977 17.136 468 HG2 PRO 66 HG2 PRO 66 4.153 -4.630 18.235 469 HG3 PRO 66 HG3 PRO 66 5.693 -5.145 18.411 470 HD2 PRO 66 HD2 PRO 66 5.161 -3.352 16.626 471 HD3 PRO 66 HD3 PRO 66 6.268 -4.505 16.289 472 H GLU 67 H GLU 67 2.400 -4.068 16.659 473 HA GLU 67 HA GLU 67 0.082 -5.437 17.440 474 HB2 GLU 67 HB2 GLU 67 0.288 -2.602 16.939 475 HB3 GLU 67 HB3 GLU 67 -0.864 -3.322 17.844 476 HG2 GLU 67 HG2 GLU 67 1.892 -2.945 18.540 477 HG3 GLU 67 HG3 GLU 67 0.588 -2.390 19.350 478 H PHE 68 H PHE 68 1.112 -3.764 14.616 479 HA PHE 68 HA PHE 68 -1.284 -3.776 13.262 480 HB2 PHE 68 HB2 PHE 68 0.631 -2.499 12.552 481 HB3 PHE 68 HB3 PHE 68 1.332 -3.881 12.038 482 HD1 PHE 68 HD1 PHE 68 -1.933 -2.328 11.551 483 HD2 PHE 68 HD2 PHE 68 1.368 -4.084 9.731 484 HE1 PHE 68 HE1 PHE 68 -3.007 -2.106 9.407 485 HE2 PHE 68 HE2 PHE 68 0.299 -3.877 7.580 486 HZ PHE 68 HZ PHE 68 -1.903 -2.902 7.421 487 H LEU 69 H LEU 69 1.262 -6.129 13.450 488 HA LEU 69 HA LEU 69 0.179 -7.941 11.670 489 HB2 LEU 69 HB2 LEU 69 2.118 -8.114 13.751 490 HB3 LEU 69 HB3 LEU 69 1.519 -9.536 13.216 491 HG LEU 69 HG LEU 69 2.833 -7.690 11.458 492 HD11 LEU 69 HD11 LEU 69 4.817 -9.043 11.726 493 HD12 LEU 69 HD12 LEU 69 4.058 -9.930 12.844 494 HD13 LEU 69 HD13 LEU 69 4.406 -8.380 13.143 495 HD21 LEU 69 HD21 LEU 69 3.053 -9.599 10.007 496 HD22 LEU 69 HD22 LEU 69 1.491 -9.332 10.328 497 HD23 LEU 69 HD23 LEU 69 2.281 -10.519 11.091 498 H THR 70 H THR 70 -0.235 -7.516 15.081 499 HA THR 70 HA THR 70 -1.673 -9.820 15.506 500 HB THR 70 HB THR 70 -1.718 -7.393 17.154 501 HG1 THR 70 HG1 THR 70 0.265 -7.903 17.499 502 HG21 THR 70 HG21 THR 70 -2.375 -8.790 18.977 503 HG22 THR 70 HG22 THR 70 -2.394 -10.082 18.006 504 HG23 THR 70 HG23 THR 70 -3.488 -8.908 17.810 505 H MET 71 H MET 71 -2.867 -6.549 14.972 506 HA MET 71 HA MET 71 -5.520 -7.315 15.176 507 HB2 MET 71 HB2 MET 71 -6.088 -5.189 14.261 508 HB3 MET 71 HB3 MET 71 -4.919 -5.031 15.390 509 HG2 MET 71 HG2 MET 71 -3.321 -4.822 13.744 510 HG3 MET 71 HG3 MET 71 -4.456 -5.047 12.591 511 HE1 MET 71 HE1 MET 71 -4.225 -1.341 15.257 512 HE2 MET 71 HE2 MET 71 -3.129 -2.530 15.296 513 HE3 MET 71 HE3 MET 71 -4.635 -2.800 15.821 514 H MET 72 H MET 72 -3.336 -7.532 12.572 515 HA MET 72 HA MET 72 -5.219 -7.766 10.549 516 HB2 MET 72 HB2 MET 72 -2.830 -7.351 10.209 517 HB3 MET 72 HB3 MET 72 -2.566 -8.934 10.516 518 HG2 MET 72 HG2 MET 72 -2.488 -8.604 8.269 519 HG3 MET 72 HG3 MET 72 -3.788 -9.519 8.640 520 HE1 MET 72 HE1 MET 72 -3.971 -5.118 7.430 521 HE2 MET 72 HE2 MET 72 -2.618 -6.003 7.399 522 HE3 MET 72 HE3 MET 72 -3.298 -5.615 8.814 523 H ALA 73 H ALA 73 -4.018 -9.988 12.839 524 HA ALA 73 HA ALA 73 -4.562 -12.320 11.514 525 HB1 ALA 73 HB1 ALA 73 -3.244 -12.264 13.555 526 HB2 ALA 73 HB2 ALA 73 -4.402 -13.383 13.697 527 HB3 ALA 73 HB3 ALA 73 -4.578 -11.942 14.410 528 H ARG 74 H ARG 74 -6.677 -10.334 13.370 529 HA ARG 74 HA ARG 74 -8.763 -12.139 13.576 530 HB2 ARG 74 HB2 ARG 74 -8.376 -9.911 14.751 531 HB3 ARG 74 HB3 ARG 74 -9.245 -9.291 13.515 532 HG2 ARG 74 HG2 ARG 74 -11.068 -10.753 14.189 533 HG3 ARG 74 HG3 ARG 74 -10.203 -11.107 15.528 534 HD2 ARG 74 HD2 ARG 74 -10.235 -8.784 16.133 535 HD3 ARG 74 HD3 ARG 74 -11.161 -8.472 14.825 536 HE ARG 74 HE ARG 74 -12.362 -10.388 16.500 537 HH11 ARG 74 HH11 ARG 74 -14.185 -9.848 17.643 538 HH12 ARG 74 HH12 ARG 74 -14.640 -8.190 17.849 539 HH21 ARG 74 HH21 ARG 74 -11.993 -6.914 16.056 540 HH22 ARG 74 HH22 ARG 74 -13.422 -6.557 16.968 541 H LYS 75 H LYS 75 -7.706 -10.536 10.856 542 HA LYS 75 HA LYS 75 -10.189 -10.287 9.585 543 HB2 LYS 75 HB2 LYS 75 -8.229 -9.049 8.892 544 HB3 LYS 75 HB3 LYS 75 -7.638 -10.426 8.243 545 HG2 LYS 75 HG2 LYS 75 -8.574 -9.078 6.529 546 HG3 LYS 75 HG3 LYS 75 -9.446 -10.452 6.672 547 HD2 LYS 75 HD2 LYS 75 -11.010 -9.222 8.059 548 HD3 LYS 75 HD3 LYS 75 -10.190 -7.860 7.682 549 HE2 LYS 75 HE2 LYS 75 -10.841 -7.994 5.473 550 HE3 LYS 75 HE3 LYS 75 -11.453 -9.493 5.689 551 HZ1 LYS 75 HZ1 LYS 75 -13.214 -7.875 5.750 552 HZ2 LYS 75 HZ2 LYS 75 -12.479 -7.117 6.975 553 HZ3 LYS 75 HZ3 LYS 75 -13.086 -8.601 7.189 554 H MET 76 H MET 76 -7.952 -12.815 9.977 555 HA MET 76 HA MET 76 -9.194 -14.609 8.119 556 HB2 MET 76 HB2 MET 76 -6.917 -14.888 8.567 557 HB3 MET 76 HB3 MET 76 -7.240 -15.125 10.151 558 HG2 MET 76 HG2 MET 76 -6.771 -17.115 9.100 559 HG3 MET 76 HG3 MET 76 -8.288 -17.094 9.705 560 HE1 MET 76 HE1 MET 76 -8.620 -19.318 6.508 561 HE2 MET 76 HE2 MET 76 -8.838 -19.295 8.110 562 HE3 MET 76 HE3 MET 76 -7.342 -19.244 7.497 563 H LYS 77 H LYS 77 -10.898 -16.113 8.754 564 HA LYS 77 HA LYS 77 -12.261 -15.309 10.997 565 HB2 LYS 77 HB2 LYS 77 -13.367 -16.421 9.170 566 HB3 LYS 77 HB3 LYS 77 -12.693 -17.830 9.646 567 HG2 LYS 77 HG2 LYS 77 -13.881 -17.402 11.824 568 HG3 LYS 77 HG3 LYS 77 -14.798 -16.371 10.951 569 HD2 LYS 77 HD2 LYS 77 -14.536 -19.158 10.333 570 HD3 LYS 77 HD3 LYS 77 -15.786 -18.537 11.183 571 HE2 LYS 77 HE2 LYS 77 -16.369 -17.202 9.276 572 HE3 LYS 77 HE3 LYS 77 -15.177 -17.934 8.432 573 HZ1 LYS 77 HZ1 LYS 77 -17.258 -18.988 7.990 574 HZ2 LYS 77 HZ2 LYS 77 -17.444 -19.301 9.566 575 HZ3 LYS 77 HZ3 LYS 77 -16.265 -20.026 8.731 576 H ASP 78 H ASP 78 -11.634 -15.490 12.996 577 HA ASP 78 HA ASP 78 -10.774 -18.066 13.992 578 HB2 ASP 78 HB2 ASP 78 -9.346 -17.023 15.505 579 HB3 ASP 78 HB3 ASP 78 -8.962 -16.497 14.008 580 H THR 79 H THR 79 -11.130 -17.861 16.582 581 HA THR 79 HA THR 79 -13.188 -16.188 17.464 582 HB THR 79 HB THR 79 -14.707 -17.640 16.309 583 HG1 THR 79 HG1 THR 79 -14.767 -17.362 18.979 584 HG21 THR 79 HG21 THR 79 -14.928 -19.935 16.942 585 HG22 THR 79 HG22 THR 79 -13.685 -19.793 17.966 586 HG23 THR 79 HG23 THR 79 -13.434 -19.697 16.372 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 -8.963 -16.896 2.726 2 H2 ALA 1 H2 ALA 1 -7.459 -16.499 3.171 3 H3 ALA 1 H3 ALA 1 -8.724 -15.967 4.029 4 HA ALA 1 HA ALA 1 -9.220 -18.141 4.706 5 HB1 ALA 1 HB1 ALA 1 -8.372 -19.356 2.762 6 HB2 ALA 1 HB2 ALA 1 -7.744 -19.999 4.107 7 HB3 ALA 1 HB3 ALA 1 -6.856 -19.000 3.197 8 H ASP 2 H ASP 2 -7.880 -19.460 6.356 9 HA ASP 2 HA ASP 2 -6.385 -17.613 7.914 10 HB2 ASP 2 HB2 ASP 2 -6.222 -19.470 9.458 11 HB3 ASP 2 HB3 ASP 2 -7.761 -19.067 9.092 12 H GLN 3 H GLN 3 -4.240 -18.549 8.885 13 HA GLN 3 HA GLN 3 -2.143 -18.897 8.471 14 HB2 GLN 3 HB2 GLN 3 -2.950 -21.210 8.269 15 HB3 GLN 3 HB3 GLN 3 -2.844 -21.046 6.648 16 HG2 GLN 3 HG2 GLN 3 -0.491 -20.722 6.849 17 HG3 GLN 3 HG3 GLN 3 -0.610 -20.938 8.464 18 HE21 GLN 3 HE21 GLN 3 0.551 -22.366 5.955 19 HE22 GLN 3 HE22 GLN 3 0.227 -24.026 6.324 20 H LEU 4 H LEU 4 -1.442 -16.985 7.603 21 HA LEU 4 HA LEU 4 -1.520 -16.413 4.914 22 HB2 LEU 4 HB2 LEU 4 0.401 -15.501 6.866 23 HB3 LEU 4 HB3 LEU 4 0.278 -14.851 5.373 24 HG LEU 4 HG LEU 4 -1.807 -14.656 7.336 25 HD11 LEU 4 HD11 LEU 4 -1.039 -12.379 7.682 26 HD12 LEU 4 HD12 LEU 4 0.190 -12.642 6.665 27 HD13 LEU 4 HD13 LEU 4 0.133 -13.421 8.081 28 HD21 LEU 4 HD21 LEU 4 -2.730 -12.969 5.910 29 HD22 LEU 4 HD22 LEU 4 -2.636 -14.377 5.121 30 HD23 LEU 4 HD23 LEU 4 -1.544 -13.218 4.840 31 H THR 5 H THR 5 -0.206 -16.968 3.143 32 HA THR 5 HA THR 5 1.618 -19.072 3.547 33 HB THR 5 HB THR 5 2.047 -18.809 1.117 34 HG1 THR 5 HG1 THR 5 1.639 -16.735 0.747 35 HG21 THR 5 HG21 THR 5 -0.123 -19.618 0.467 36 HG22 THR 5 HG22 THR 5 -0.756 -19.083 1.855 37 HG23 THR 5 HG23 THR 5 0.286 -20.319 1.866 38 H GLU 6 H GLU 6 3.945 -18.999 3.143 39 HA GLU 6 HA GLU 6 5.109 -16.826 4.337 40 HB2 GLU 6 HB2 GLU 6 6.355 -18.879 2.708 41 HB3 GLU 6 HB3 GLU 6 7.218 -17.859 3.646 42 HG2 GLU 6 HG2 GLU 6 6.227 -18.777 5.585 43 HG3 GLU 6 HG3 GLU 6 5.313 -19.768 4.663 44 H GLU 7 H GLU 7 4.642 -17.449 0.996 45 HA GLU 7 HA GLU 7 6.278 -15.458 0.016 46 HB2 GLU 7 HB2 GLU 7 5.045 -15.702 -2.027 47 HB3 GLU 7 HB3 GLU 7 5.401 -17.164 -1.393 48 HG2 GLU 7 HG2 GLU 7 3.096 -17.038 -0.425 49 HG3 GLU 7 HG3 GLU 7 2.846 -15.909 -1.579 50 H GLN 8 H GLN 8 2.997 -15.294 1.142 51 HA GLN 8 HA GLN 8 2.712 -12.648 0.269 52 HB2 GLN 8 HB2 GLN 8 0.993 -14.239 1.959 53 HB3 GLN 8 HB3 GLN 8 0.604 -12.706 1.551 54 HG2 GLN 8 HG2 GLN 8 0.777 -14.953 -0.236 55 HG3 GLN 8 HG3 GLN 8 -0.570 -14.104 0.125 56 HE21 GLN 8 HE21 GLN 8 -0.092 -11.563 -0.238 57 HE22 GLN 8 HE22 GLN 8 0.477 -11.244 -1.842 58 H ILE 9 H ILE 9 3.815 -14.119 3.136 59 HA ILE 9 HA ILE 9 3.516 -11.928 4.821 60 HB ILE 9 HB ILE 9 5.434 -14.101 5.044 61 HG12 ILE 9 HG12 ILE 9 3.030 -13.679 6.591 62 HG13 ILE 9 HG13 ILE 9 3.052 -14.625 5.261 63 HG21 ILE 9 HG21 ILE 9 5.834 -13.399 7.330 64 HG22 ILE 9 HG22 ILE 9 4.881 -12.112 7.110 65 HG23 ILE 9 HG23 ILE 9 6.286 -12.223 6.317 66 HD11 ILE 9 HD11 ILE 9 3.163 -15.985 7.231 67 HD12 ILE 9 HD12 ILE 9 4.507 -15.219 7.702 68 HD13 ILE 9 HD13 ILE 9 4.530 -16.156 6.384 69 H ALA 10 H ALA 10 5.922 -12.836 2.491 70 HA ALA 10 HA ALA 10 7.724 -10.820 3.091 71 HB1 ALA 10 HB1 ALA 10 8.378 -12.697 1.726 72 HB2 ALA 10 HB2 ALA 10 8.722 -11.328 0.937 73 HB3 ALA 10 HB3 ALA 10 7.411 -12.185 0.536 74 H GLU 11 H GLU 11 5.177 -10.960 0.673 75 HA GLU 11 HA GLU 11 5.581 -8.429 -0.340 76 HB2 GLU 11 HB2 GLU 11 4.201 -10.077 -1.428 77 HB3 GLU 11 HB3 GLU 11 3.061 -9.859 -0.281 78 HG2 GLU 11 HG2 GLU 11 2.641 -7.693 -1.043 79 HG3 GLU 11 HG3 GLU 11 3.879 -7.790 -2.103 80 H PHE 12 H PHE 12 3.656 -9.503 2.307 81 HA PHE 12 HA PHE 12 2.343 -7.151 2.875 82 HB2 PHE 12 HB2 PHE 12 1.811 -9.295 3.860 83 HB3 PHE 12 HB3 PHE 12 3.169 -9.195 4.760 84 HD1 PHE 12 HD1 PHE 12 -0.096 -7.764 4.313 85 HD2 PHE 12 HD2 PHE 12 3.217 -7.982 6.818 86 HE1 PHE 12 HE1 PHE 12 -1.370 -6.715 6.075 87 HE2 PHE 12 HE2 PHE 12 1.963 -6.916 8.584 88 HZ PHE 12 HZ PHE 12 -0.344 -6.307 8.222 89 H LYS 13 H LYS 13 5.453 -8.302 3.899 90 HA LYS 13 HA LYS 13 6.011 -6.200 5.611 91 HB2 LYS 13 HB2 LYS 13 7.253 -8.268 5.581 92 HB3 LYS 13 HB3 LYS 13 7.929 -7.814 4.165 93 HG2 LYS 13 HG2 LYS 13 8.875 -5.905 5.393 94 HG3 LYS 13 HG3 LYS 13 8.432 -6.686 6.756 95 HD2 LYS 13 HD2 LYS 13 10.220 -7.786 4.790 96 HD3 LYS 13 HD3 LYS 13 10.715 -7.105 6.190 97 HE2 LYS 13 HE2 LYS 13 9.540 -8.812 7.402 98 HE3 LYS 13 HE3 LYS 13 9.134 -9.513 5.983 99 HZ1 LYS 13 HZ1 LYS 13 11.024 -10.588 6.916 100 HZ2 LYS 13 HZ2 LYS 13 11.830 -9.186 6.924 101 HZ3 LYS 13 HZ3 LYS 13 11.429 -9.881 5.520 102 H GLU 14 H GLU 14 6.738 -6.690 2.245 103 HA GLU 14 HA GLU 14 8.226 -4.411 1.887 104 HB2 GLU 14 HB2 GLU 14 7.049 -6.292 0.206 105 HB3 GLU 14 HB3 GLU 14 7.012 -4.811 -0.479 106 HG2 GLU 14 HG2 GLU 14 8.940 -5.758 -1.247 107 HG3 GLU 14 HG3 GLU 14 9.425 -4.712 -0.091 108 H ALA 15 H ALA 15 4.790 -4.904 1.718 109 HA ALA 15 HA ALA 15 4.199 -2.336 0.856 110 HB1 ALA 15 HB1 ALA 15 2.583 -4.117 0.664 111 HB2 ALA 15 HB2 ALA 15 1.911 -2.876 1.452 112 HB3 ALA 15 HB3 ALA 15 2.434 -4.167 2.272 113 H PHE 16 H PHE 16 4.469 -3.712 4.031 114 HA PHE 16 HA PHE 16 3.515 -1.538 5.465 115 HB2 PHE 16 HB2 PHE 16 3.893 -3.793 6.346 116 HB3 PHE 16 HB3 PHE 16 5.483 -3.431 6.424 117 HD1 PHE 16 HD1 PHE 16 6.338 -1.854 8.128 118 HD2 PHE 16 HD2 PHE 16 2.324 -2.955 7.993 119 HE1 PHE 16 HE1 PHE 16 6.028 -0.988 10.360 120 HE2 PHE 16 HE2 PHE 16 2.004 -2.089 10.226 121 HZ PHE 16 HZ PHE 16 3.864 -1.121 11.420 122 H SER 17 H SER 17 6.660 -2.394 4.380 123 HA SER 17 HA SER 17 8.081 -0.464 5.643 124 HB2 SER 17 HB2 SER 17 9.083 -2.401 4.490 125 HB3 SER 17 HB3 SER 17 8.796 -1.663 3.062 126 HG SER 17 HG SER 17 10.836 -1.368 4.678 127 H LEU 18 H LEU 18 6.038 0.058 3.031 128 HA LEU 18 HA LEU 18 7.406 2.443 2.270 129 HB2 LEU 18 HB2 LEU 18 6.240 2.453 0.396 130 HB3 LEU 18 HB3 LEU 18 6.124 0.866 0.763 131 HG LEU 18 HG LEU 18 3.902 1.717 1.762 132 HD11 LEU 18 HD11 LEU 18 2.887 3.275 0.221 133 HD12 LEU 18 HD12 LEU 18 4.293 3.418 -0.564 134 HD13 LEU 18 HD13 LEU 18 4.153 3.967 0.951 135 HD21 LEU 18 HD21 LEU 18 2.863 0.813 -0.236 136 HD22 LEU 18 HD22 LEU 18 4.096 -0.130 0.220 137 HD23 LEU 18 HD23 LEU 18 4.281 0.904 -1.009 138 H PHE 19 H PHE 19 5.073 1.596 4.492 139 HA PHE 19 HA PHE 19 4.078 4.266 4.596 140 HB2 PHE 19 HB2 PHE 19 2.933 1.845 5.737 141 HB3 PHE 19 HB3 PHE 19 2.242 3.308 5.955 142 HD1 PHE 19 HD1 PHE 19 1.700 4.603 3.702 143 HD2 PHE 19 HD2 PHE 19 2.093 0.479 4.044 144 HE1 PHE 19 HE1 PHE 19 0.418 4.321 1.682 145 HE2 PHE 19 HE2 PHE 19 0.811 0.181 2.022 146 HZ PHE 19 HZ PHE 19 -0.045 2.103 0.846 147 H ASP 20 H ASP 20 5.870 2.107 6.494 148 HA ASP 20 HA ASP 20 5.623 3.595 8.896 149 HB2 ASP 20 HB2 ASP 20 7.132 2.030 9.846 150 HB3 ASP 20 HB3 ASP 20 5.982 1.232 9.004 151 H LYS 21 H LYS 21 6.283 5.337 7.070 152 HA LYS 21 HA LYS 21 8.938 5.686 6.506 153 HB2 LYS 21 HB2 LYS 21 6.996 6.734 5.384 154 HB3 LYS 21 HB3 LYS 21 6.916 7.780 6.634 155 HG2 LYS 21 HG2 LYS 21 9.136 8.540 6.004 156 HG3 LYS 21 HG3 LYS 21 8.973 7.654 4.642 157 HD2 LYS 21 HD2 LYS 21 7.148 8.930 3.978 158 HD3 LYS 21 HD3 LYS 21 7.170 9.751 5.391 159 HE2 LYS 21 HE2 LYS 21 9.393 10.534 4.808 160 HE3 LYS 21 HE3 LYS 21 9.184 9.864 3.333 161 HZ1 LYS 21 HZ1 LYS 21 8.658 12.168 3.264 162 HZ2 LYS 21 HZ2 LYS 21 7.540 11.958 4.414 163 HZ3 LYS 21 HZ3 LYS 21 7.333 11.294 2.954 164 H ASP 22 H ASP 22 7.294 6.400 9.322 165 HA ASP 22 HA ASP 22 8.892 8.483 10.213 166 HB2 ASP 22 HB2 ASP 22 7.196 6.675 11.670 167 HB3 ASP 22 HB3 ASP 22 7.976 7.904 12.411 168 H GLY 23 H GLY 23 9.369 5.126 10.080 169 HA2 GLY 23 HA2 GLY 23 11.482 4.222 10.117 170 HA3 GLY 23 HA3 GLY 23 12.059 5.501 10.952 171 H ASP 24 H ASP 24 9.619 4.925 12.781 172 HA ASP 24 HA ASP 24 11.143 3.377 14.584 173 HB2 ASP 24 HB2 ASP 24 8.556 4.655 14.863 174 HB3 ASP 24 HB3 ASP 24 9.205 3.797 16.091 175 H GLY 25 H GLY 25 9.183 2.497 12.159 176 HA2 GLY 25 HA2 GLY 25 8.496 0.364 11.664 177 HA3 GLY 25 HA3 GLY 25 8.877 -0.145 13.168 178 H THR 26 H THR 26 7.016 2.599 12.953 179 HA THR 26 HA THR 26 4.611 1.177 13.687 180 HB THR 26 HB THR 26 5.298 3.878 14.589 181 HG1 THR 26 HG1 THR 26 5.528 1.747 16.291 182 HG21 THR 26 HG21 THR 26 3.695 3.550 16.277 183 HG22 THR 26 HG22 THR 26 3.386 2.062 15.725 184 HG23 THR 26 HG23 THR 26 2.994 3.352 14.833 185 H ILE 27 H ILE 27 2.614 1.898 12.733 186 HA ILE 27 HA ILE 27 2.974 3.956 10.739 187 HB ILE 27 HB ILE 27 1.151 2.978 9.447 188 HG12 ILE 27 HG12 ILE 27 1.237 0.745 11.246 189 HG13 ILE 27 HG13 ILE 27 0.090 1.904 11.336 190 HG21 ILE 27 HG21 ILE 27 2.410 1.123 8.589 191 HG22 ILE 27 HG22 ILE 27 3.362 1.152 9.897 192 HG23 ILE 27 HG23 ILE 27 3.394 2.380 8.845 193 HD11 ILE 27 HD11 ILE 27 -0.773 -0.010 10.170 194 HD12 ILE 27 HD12 ILE 27 0.410 0.106 9.073 195 HD13 ILE 27 HD13 ILE 27 -0.725 1.254 9.162 196 H THR 28 H THR 28 1.163 5.504 10.444 197 HA THR 28 HA THR 28 0.008 6.057 12.942 198 HB THR 28 HB THR 28 -0.966 8.032 11.891 199 HG1 THR 28 HG1 THR 28 -0.730 8.386 9.728 200 HG21 THR 28 HG21 THR 28 1.066 9.111 11.218 201 HG22 THR 28 HG22 THR 28 1.800 7.678 11.074 202 HG23 THR 28 HG23 THR 28 1.365 8.222 12.535 203 H THR 29 H THR 29 -2.278 6.084 13.481 204 HA THR 29 HA THR 29 -3.654 4.015 12.421 205 HB THR 29 HB THR 29 -4.258 4.943 14.599 206 HG1 THR 29 HG1 THR 29 -6.547 5.168 13.105 207 HG21 THR 29 HG21 THR 29 -5.527 6.983 14.761 208 HG22 THR 29 HG22 THR 29 -5.463 7.169 13.155 209 HG23 THR 29 HG23 THR 29 -4.117 7.311 14.041 210 H LYS 30 H LYS 30 -3.349 7.023 11.025 211 HA LYS 30 HA LYS 30 -5.812 6.866 9.644 212 HB2 LYS 30 HB2 LYS 30 -3.684 8.807 9.321 213 HB3 LYS 30 HB3 LYS 30 -5.163 8.963 8.646 214 HG2 LYS 30 HG2 LYS 30 -5.970 8.845 11.033 215 HG3 LYS 30 HG3 LYS 30 -4.441 9.290 11.390 216 HD2 LYS 30 HD2 LYS 30 -5.571 11.258 11.310 217 HD3 LYS 30 HD3 LYS 30 -4.817 11.190 9.864 218 HE2 LYS 30 HE2 LYS 30 -6.820 10.429 8.835 219 HE3 LYS 30 HE3 LYS 30 -7.578 10.428 10.281 220 HZ1 LYS 30 HZ1 LYS 30 -8.161 12.363 9.054 221 HZ2 LYS 30 HZ2 LYS 30 -6.604 12.786 8.959 222 HZ3 LYS 30 HZ3 LYS 30 -7.354 12.785 10.391 223 H GLU 31 H GLU 31 -2.677 5.850 9.086 224 HA GLU 31 HA GLU 31 -2.982 5.742 6.246 225 HB2 GLU 31 HB2 GLU 31 -0.856 6.178 7.591 226 HB3 GLU 31 HB3 GLU 31 -0.736 4.550 7.549 227 HG2 GLU 31 HG2 GLU 31 0.554 5.328 5.815 228 HG3 GLU 31 HG3 GLU 31 -0.790 4.700 5.130 229 H LEU 32 H LEU 32 -4.008 3.981 8.717 230 HA LEU 32 HA LEU 32 -3.470 1.373 8.187 231 HB2 LEU 32 HB2 LEU 32 -4.775 2.494 10.019 232 HB3 LEU 32 HB3 LEU 32 -6.071 2.271 9.051 233 HG LEU 32 HG LEU 32 -4.630 0.189 10.388 234 HD11 LEU 32 HD11 LEU 32 -6.725 -0.015 11.644 235 HD12 LEU 32 HD12 LEU 32 -7.351 1.206 10.788 236 HD13 LEU 32 HD13 LEU 32 -6.139 1.482 11.822 237 HD21 LEU 32 HD21 LEU 32 -6.226 -1.328 9.605 238 HD22 LEU 32 HD22 LEU 32 -5.397 -0.680 8.377 239 HD23 LEU 32 HD23 LEU 32 -6.897 -0.169 8.699 240 H GLY 33 H GLY 33 -6.124 3.208 6.839 241 HA2 GLY 33 HA2 GLY 33 -7.127 1.115 5.309 242 HA3 GLY 33 HA3 GLY 33 -7.466 2.698 5.100 243 H THR 34 H THR 34 -4.497 3.154 4.755 244 HA THR 34 HA THR 34 -4.510 2.896 1.963 245 HB THR 34 HB THR 34 -2.128 3.717 3.392 246 HG1 THR 34 HG1 THR 34 -2.980 5.508 4.097 247 HG21 THR 34 HG21 THR 34 -1.923 5.270 1.582 248 HG22 THR 34 HG22 THR 34 -3.348 4.794 0.986 249 HG23 THR 34 HG23 THR 34 -2.085 3.784 0.966 250 H VAL 35 H VAL 35 -2.996 1.245 4.601 251 HA VAL 35 HA VAL 35 -1.275 -0.258 3.066 252 HB VAL 35 HB VAL 35 -2.370 -1.186 5.620 253 HG11 VAL 35 HG11 VAL 35 -0.305 -2.417 5.850 254 HG12 VAL 35 HG12 VAL 35 0.189 -1.866 4.412 255 HG13 VAL 35 HG13 VAL 35 -1.068 -2.879 4.501 256 HG21 VAL 35 HG21 VAL 35 -0.575 -0.073 6.737 257 HG22 VAL 35 HG22 VAL 35 -1.499 1.004 5.962 258 HG23 VAL 35 HG23 VAL 35 -0.079 0.554 5.332 259 H MET 36 H MET 36 -4.538 -0.838 4.164 260 HA MET 36 HA MET 36 -4.691 -3.415 3.279 261 HB2 MET 36 HB2 MET 36 -6.445 -1.690 4.405 262 HB3 MET 36 HB3 MET 36 -7.191 -2.210 3.048 263 HG2 MET 36 HG2 MET 36 -7.839 -3.576 4.695 264 HG3 MET 36 HG3 MET 36 -6.817 -4.417 3.738 265 HE1 MET 36 HE1 MET 36 -6.225 -3.218 7.961 266 HE2 MET 36 HE2 MET 36 -7.622 -3.492 7.195 267 HE3 MET 36 HE3 MET 36 -6.757 -2.169 6.853 268 H ARG 37 H ARG 37 -5.401 -0.496 1.526 269 HA ARG 37 HA ARG 37 -6.408 -1.892 -0.649 270 HB2 ARG 37 HB2 ARG 37 -6.494 0.179 -1.808 271 HB3 ARG 37 HB3 ARG 37 -7.012 0.396 -0.275 272 HG2 ARG 37 HG2 ARG 37 -4.971 1.381 0.306 273 HG3 ARG 37 HG3 ARG 37 -4.381 1.091 -1.188 274 HD2 ARG 37 HD2 ARG 37 -5.028 3.324 -1.087 275 HD3 ARG 37 HD3 ARG 37 -6.065 2.546 -2.080 276 HE ARG 37 HE ARG 37 -7.106 2.514 0.495 277 HH11 ARG 37 HH11 ARG 37 -6.639 4.764 -2.171 278 HH12 ARG 37 HH12 ARG 37 -7.964 5.763 -1.674 279 HH21 ARG 37 HH21 ARG 37 -8.793 3.821 1.056 280 HH22 ARG 37 HH22 ARG 37 -9.164 5.235 0.126 281 H SER 38 H SER 38 -3.193 -1.204 0.209 282 HA SER 38 HA SER 38 -2.189 -1.428 -2.411 283 HB2 SER 38 HB2 SER 38 -0.001 -1.542 -1.399 284 HB3 SER 38 HB3 SER 38 -0.860 -0.279 -0.820 285 HG SER 38 HG SER 38 -0.498 -2.695 0.429 286 H LEU 39 H LEU 39 -3.138 -3.615 -0.003 287 HA LEU 39 HA LEU 39 -1.979 -5.851 -1.363 288 HB2 LEU 39 HB2 LEU 39 -3.278 -5.608 1.169 289 HB3 LEU 39 HB3 LEU 39 -3.170 -7.089 0.491 290 HG LEU 39 HG LEU 39 -1.573 -6.962 2.090 291 HD11 LEU 39 HD11 LEU 39 0.488 -7.323 0.862 292 HD12 LEU 39 HD12 LEU 39 -0.199 -6.691 -0.458 293 HD13 LEU 39 HD13 LEU 39 -0.744 -8.088 0.147 294 HD21 LEU 39 HD21 LEU 39 0.145 -5.298 2.193 295 HD22 LEU 39 HD22 LEU 39 -1.320 -4.643 2.392 296 HD23 LEU 39 HD23 LEU 39 -0.560 -4.508 0.971 297 H GLY 40 H GLY 40 -4.437 -4.012 -2.025 298 HA2 GLY 40 HA2 GLY 40 -6.154 -4.398 -3.442 299 HA3 GLY 40 HA3 GLY 40 -5.821 -5.996 -3.451 300 H GLN 41 H GLN 41 -6.293 -4.936 -0.346 301 HA GLN 41 HA GLN 41 -8.872 -6.185 -0.302 302 HB2 GLN 41 HB2 GLN 41 -7.154 -6.873 1.259 303 HB3 GLN 41 HB3 GLN 41 -7.218 -5.388 1.935 304 HG2 GLN 41 HG2 GLN 41 -8.578 -6.305 3.384 305 HG3 GLN 41 HG3 GLN 41 -9.704 -6.190 2.207 306 HE21 GLN 41 HE21 GLN 41 -9.877 -8.059 0.664 307 HE22 GLN 41 HE22 GLN 41 -9.694 -9.631 1.364 308 H ASN 42 H ASN 42 -10.801 -5.200 0.086 309 HA ASN 42 HA ASN 42 -10.687 -2.403 0.802 310 HB2 ASN 42 HB2 ASN 42 -12.563 -3.703 -0.981 311 HB3 ASN 42 HB3 ASN 42 -12.800 -2.177 -0.449 312 HD21 ASN 42 HD21 ASN 42 -11.568 -4.024 -2.854 313 HD22 ASN 42 HD22 ASN 42 -10.594 -2.822 -3.633 314 HA PRO 43 HA PRO 43 -13.142 -4.412 3.986 315 HB2 PRO 43 HB2 PRO 43 -12.027 -3.418 6.185 316 HB3 PRO 43 HB3 PRO 43 -11.169 -4.537 5.361 317 HG2 PRO 43 HG2 PRO 43 -10.962 -1.704 5.174 318 HG3 PRO 43 HG3 PRO 43 -9.755 -2.777 5.413 319 HD2 PRO 43 HD2 PRO 43 -10.259 -1.879 3.006 320 HD3 PRO 43 HD3 PRO 43 -9.728 -3.410 3.216 321 H THR 44 H THR 44 -14.680 -3.764 5.639 322 HA THR 44 HA THR 44 -15.917 -1.354 4.940 323 HB THR 44 HB THR 44 -16.681 -2.545 7.426 324 HG1 THR 44 HG1 THR 44 -16.729 -3.975 5.063 325 HG21 THR 44 HG21 THR 44 -18.870 -2.388 6.494 326 HG22 THR 44 HG22 THR 44 -18.250 -1.968 5.061 327 HG23 THR 44 HG23 THR 44 -18.129 -0.961 6.320 328 H GLU 45 H GLU 45 -15.881 0.675 6.023 329 HA GLU 45 HA GLU 45 -13.642 1.218 7.537 330 HB2 GLU 45 HB2 GLU 45 -15.004 2.805 6.224 331 HB3 GLU 45 HB3 GLU 45 -16.031 2.853 7.492 332 HG2 GLU 45 HG2 GLU 45 -14.442 3.877 8.821 333 HG3 GLU 45 HG3 GLU 45 -13.289 3.665 7.683 334 H ALA 46 H ALA 46 -16.761 0.243 8.545 335 HA ALA 46 HA ALA 46 -16.551 0.964 11.198 336 HB1 ALA 46 HB1 ALA 46 -18.658 0.251 10.233 337 HB2 ALA 46 HB2 ALA 46 -18.365 -0.623 11.562 338 HB3 ALA 46 HB3 ALA 46 -18.094 -1.258 10.099 339 H GLU 47 H GLU 47 -15.453 -1.850 9.521 340 HA GLU 47 HA GLU 47 -14.789 -3.378 11.730 341 HB2 GLU 47 HB2 GLU 47 -13.414 -3.514 9.191 342 HB3 GLU 47 HB3 GLU 47 -13.551 -4.733 10.269 343 HG2 GLU 47 HG2 GLU 47 -15.986 -3.822 9.180 344 HG3 GLU 47 HG3 GLU 47 -14.999 -4.594 8.132 345 H LEU 48 H LEU 48 -13.128 -0.989 9.879 346 HA LEU 48 HA LEU 48 -10.642 -1.325 11.018 347 HB2 LEU 48 HB2 LEU 48 -11.690 1.088 9.810 348 HB3 LEU 48 HB3 LEU 48 -10.102 0.831 10.090 349 HG LEU 48 HG LEU 48 -11.651 -0.596 8.133 350 HD11 LEU 48 HD11 LEU 48 -10.383 0.696 6.519 351 HD12 LEU 48 HD12 LEU 48 -9.653 1.488 7.725 352 HD13 LEU 48 HD13 LEU 48 -11.235 1.694 7.465 353 HD21 LEU 48 HD21 LEU 48 -9.588 -1.521 7.402 354 HD22 LEU 48 HD22 LEU 48 -9.883 -1.949 8.933 355 HD23 LEU 48 HD23 LEU 48 -8.817 -0.776 8.611 356 H GLN 49 H GLN 49 -13.310 0.755 11.789 357 HA GLN 49 HA GLN 49 -12.142 2.349 13.642 358 HB2 GLN 49 HB2 GLN 49 -14.406 2.667 12.892 359 HB3 GLN 49 HB3 GLN 49 -14.868 1.346 13.733 360 HG2 GLN 49 HG2 GLN 49 -14.236 2.549 15.760 361 HG3 GLN 49 HG3 GLN 49 -14.078 3.883 14.831 362 HE21 GLN 49 HE21 GLN 49 -16.251 1.688 16.272 363 HE22 GLN 49 HE22 GLN 49 -17.693 2.602 15.979 364 H ASP 50 H ASP 50 -13.593 -0.772 14.117 365 HA ASP 50 HA ASP 50 -13.234 -0.734 16.883 366 HB2 ASP 50 HB2 ASP 50 -13.878 -2.920 15.120 367 HB3 ASP 50 HB3 ASP 50 -13.860 -3.086 16.744 368 H MET 51 H MET 51 -11.242 -1.919 14.306 369 HA MET 51 HA MET 51 -9.462 -3.225 15.963 370 HB2 MET 51 HB2 MET 51 -8.972 -2.119 13.336 371 HB3 MET 51 HB3 MET 51 -7.857 -3.029 14.110 372 HG2 MET 51 HG2 MET 51 -9.606 -4.724 14.179 373 HG3 MET 51 HG3 MET 51 -10.330 -3.825 13.022 374 HE1 MET 51 HE1 MET 51 -7.903 -3.956 10.050 375 HE2 MET 51 HE2 MET 51 -8.123 -2.784 11.143 376 HE3 MET 51 HE3 MET 51 -9.399 -3.553 10.514 377 H ILE 52 H ILE 52 -9.823 0.084 15.169 378 HA ILE 52 HA ILE 52 -7.283 0.897 16.009 379 HB ILE 52 HB ILE 52 -9.684 2.507 15.654 380 HG12 ILE 52 HG12 ILE 52 -7.342 2.548 13.981 381 HG13 ILE 52 HG13 ILE 52 -8.550 1.486 13.700 382 HG21 ILE 52 HG21 ILE 52 -8.303 4.490 15.816 383 HG22 ILE 52 HG22 ILE 52 -7.019 3.576 16.174 384 HG23 ILE 52 HG23 ILE 52 -8.253 3.679 17.213 385 HD11 ILE 52 HD11 ILE 52 -8.775 3.381 12.246 386 HD12 ILE 52 HD12 ILE 52 -8.847 4.370 13.525 387 HD13 ILE 52 HD13 ILE 52 -10.044 3.319 13.246 388 H ASN 53 H ASN 53 -10.394 0.639 17.545 389 HA ASN 53 HA ASN 53 -9.664 1.823 19.931 390 HB2 ASN 53 HB2 ASN 53 -11.802 -0.057 19.377 391 HB3 ASN 53 HB3 ASN 53 -11.657 0.655 20.840 392 HD21 ASN 53 HD21 ASN 53 -13.447 0.726 18.281 393 HD22 ASN 53 HD22 ASN 53 -13.838 2.412 18.196 394 H GLU 54 H GLU 54 -8.979 -1.224 18.706 395 HA GLU 54 HA GLU 54 -8.565 -2.562 21.115 396 HB2 GLU 54 HB2 GLU 54 -8.846 -3.556 18.845 397 HB3 GLU 54 HB3 GLU 54 -7.268 -3.210 18.603 398 HG2 GLU 54 HG2 GLU 54 -7.155 -5.372 19.163 399 HG3 GLU 54 HG3 GLU 54 -6.898 -4.663 20.612 400 H VAL 55 H VAL 55 -6.669 -0.359 19.344 401 HA VAL 55 HA VAL 55 -4.479 -0.947 21.032 402 HB VAL 55 HB VAL 55 -2.940 -0.346 19.109 403 HG11 VAL 55 HG11 VAL 55 -3.240 -2.403 17.869 404 HG12 VAL 55 HG12 VAL 55 -4.695 -2.598 18.547 405 HG13 VAL 55 HG13 VAL 55 -3.360 -2.687 19.456 406 HG21 VAL 55 HG21 VAL 55 -3.894 -0.175 16.897 407 HG22 VAL 55 HG22 VAL 55 -4.464 1.006 17.843 408 HG23 VAL 55 HG23 VAL 55 -5.379 -0.288 17.527 409 H ASP 56 H ASP 56 -6.429 1.535 20.306 410 HA ASP 56 HA ASP 56 -4.478 3.537 20.370 411 HB2 ASP 56 HB2 ASP 56 -6.159 5.098 20.039 412 HB3 ASP 56 HB3 ASP 56 -6.711 3.764 19.278 413 H ALA 57 H ALA 57 -5.096 1.711 22.737 414 HA ALA 57 HA ALA 57 -5.856 3.232 24.850 415 HB1 ALA 57 HB1 ALA 57 -5.610 0.798 24.953 416 HB2 ALA 57 HB2 ALA 57 -4.848 1.463 26.214 417 HB3 ALA 57 HB3 ALA 57 -4.002 0.961 24.932 418 H ASP 58 H ASP 58 -2.766 3.129 23.383 419 HA ASP 58 HA ASP 58 -1.404 4.414 25.447 420 HB2 ASP 58 HB2 ASP 58 -0.756 3.963 22.671 421 HB3 ASP 58 HB3 ASP 58 0.248 4.875 23.580 422 H GLY 59 H GLY 59 -3.606 5.563 23.264 423 HA2 GLY 59 HA2 GLY 59 -4.410 7.664 23.075 424 HA3 GLY 59 HA3 GLY 59 -3.278 8.218 24.112 425 H ASN 60 H ASN 60 -1.504 6.738 21.906 426 HA ASN 60 HA ASN 60 -0.876 9.213 20.715 427 HB2 ASN 60 HB2 ASN 60 0.452 6.625 20.560 428 HB3 ASN 60 HB3 ASN 60 1.045 7.918 19.758 429 HD21 ASN 60 HD21 ASN 60 1.599 6.121 22.288 430 HD22 ASN 60 HD22 ASN 60 2.282 7.292 23.365 431 H GLY 61 H GLY 61 -2.782 6.665 19.733 432 HA2 GLY 61 HA2 GLY 61 -3.843 6.400 17.735 433 HA3 GLY 61 HA3 GLY 61 -3.251 7.835 17.230 434 H THR 62 H THR 62 -1.272 5.295 18.289 435 HA THR 62 HA THR 62 -0.089 5.056 15.680 436 HB THR 62 HB THR 62 1.751 4.005 17.147 437 HG1 THR 62 HG1 THR 62 0.806 3.704 19.032 438 HG21 THR 62 HG21 THR 62 2.659 6.160 17.700 439 HG22 THR 62 HG22 THR 62 1.213 6.847 17.466 440 HG23 THR 62 HG23 THR 62 2.030 6.234 16.212 441 H ILE 63 H ILE 63 0.566 2.920 14.869 442 HA ILE 63 HA ILE 63 -0.683 0.758 16.288 443 HB ILE 63 HB ILE 63 -0.798 0.909 13.381 444 HG12 ILE 63 HG12 ILE 63 -2.981 1.237 15.231 445 HG13 ILE 63 HG13 ILE 63 -2.322 2.441 14.346 446 HG21 ILE 63 HG21 ILE 63 -2.138 -1.121 13.524 447 HG22 ILE 63 HG22 ILE 63 -1.948 -1.138 15.131 448 HG23 ILE 63 HG23 ILE 63 -0.677 -1.392 14.164 449 HD11 ILE 63 HD11 ILE 63 -4.374 1.733 13.363 450 HD12 ILE 63 HD12 ILE 63 -3.806 0.225 13.228 451 HD13 ILE 63 HD13 ILE 63 -3.154 1.417 12.350 452 H ASP 64 H ASP 64 0.919 -0.659 16.901 453 HA ASP 64 HA ASP 64 3.409 -0.493 15.574 454 HB2 ASP 64 HB2 ASP 64 2.567 -1.955 17.902 455 HB3 ASP 64 HB3 ASP 64 4.064 -2.171 17.286 456 H PHE 65 H PHE 65 4.642 -2.227 14.663 457 HA PHE 65 HA PHE 65 3.112 -3.509 12.884 458 HB2 PHE 65 HB2 PHE 65 5.171 -4.577 12.096 459 HB3 PHE 65 HB3 PHE 65 5.470 -3.024 12.502 460 HD1 PHE 65 HD1 PHE 65 6.238 -6.398 13.228 461 HD2 PHE 65 HD2 PHE 65 6.740 -2.491 14.579 462 HE1 PHE 65 HE1 PHE 65 7.979 -7.146 14.726 463 HE2 PHE 65 HE2 PHE 65 8.477 -3.227 16.083 464 HZ PHE 65 HZ PHE 65 9.089 -5.559 16.169 465 HA PRO 66 HA PRO 66 3.295 -7.588 14.618 466 HB2 PRO 66 HB2 PRO 66 3.472 -8.152 17.211 467 HB3 PRO 66 HB3 PRO 66 4.850 -7.933 16.364 468 HG2 PRO 66 HG2 PRO 66 3.501 -6.097 18.024 469 HG3 PRO 66 HG3 PRO 66 5.102 -6.408 17.943 470 HD2 PRO 66 HD2 PRO 66 4.035 -4.327 16.718 471 HD3 PRO 66 HD3 PRO 66 5.391 -5.045 16.157 472 H GLU 67 H GLU 67 1.681 -5.267 16.567 473 HA GLU 67 HA GLU 67 -0.563 -6.837 17.056 474 HB2 GLU 67 HB2 GLU 67 -0.055 -4.026 17.185 475 HB3 GLU 67 HB3 GLU 67 -1.612 -4.512 17.266 476 HG2 GLU 67 HG2 GLU 67 -0.750 -4.234 19.439 477 HG3 GLU 67 HG3 GLU 67 -1.106 -5.807 19.185 478 H PHE 68 H PHE 68 0.239 -4.587 14.544 479 HA PHE 68 HA PHE 68 -2.145 -4.649 13.196 480 HB2 PHE 68 HB2 PHE 68 -0.353 -3.099 12.717 481 HB3 PHE 68 HB3 PHE 68 0.468 -4.309 11.990 482 HD1 PHE 68 HD1 PHE 68 -2.794 -2.712 11.733 483 HD2 PHE 68 HD2 PHE 68 0.396 -4.398 9.667 484 HE1 PHE 68 HE1 PHE 68 -3.887 -2.202 9.650 485 HE2 PHE 68 HE2 PHE 68 -0.685 -3.884 7.570 486 HZ PHE 68 HZ PHE 68 -2.827 -2.772 7.559 487 H LEU 69 H LEU 69 0.652 -6.679 12.872 488 HA LEU 69 HA LEU 69 -0.333 -8.219 10.789 489 HB2 LEU 69 HB2 LEU 69 1.990 -8.135 11.319 490 HB3 LEU 69 HB3 LEU 69 1.699 -8.857 12.755 491 HG LEU 69 HG LEU 69 1.167 -10.877 11.590 492 HD11 LEU 69 HD11 LEU 69 1.707 -11.122 9.279 493 HD12 LEU 69 HD12 LEU 69 2.042 -9.544 9.183 494 HD13 LEU 69 HD13 LEU 69 0.527 -10.033 9.467 495 HD21 LEU 69 HD21 LEU 69 3.475 -11.406 11.041 496 HD22 LEU 69 HD22 LEU 69 3.418 -10.555 12.414 497 HD23 LEU 69 HD23 LEU 69 3.830 -9.828 11.031 498 H THR 70 H THR 70 -0.394 -8.711 14.233 499 HA THR 70 HA THR 70 -1.430 -11.250 14.120 500 HB THR 70 HB THR 70 -1.663 -9.373 16.358 501 HG1 THR 70 HG1 THR 70 0.128 -11.225 16.778 502 HG21 THR 70 HG21 THR 70 -1.938 -11.292 17.771 503 HG22 THR 70 HG22 THR 70 -1.868 -12.271 16.486 504 HG23 THR 70 HG23 THR 70 -3.132 -11.282 16.680 505 H MET 71 H MET 71 -3.101 -8.182 14.450 506 HA MET 71 HA MET 71 -5.598 -9.317 14.735 507 HB2 MET 71 HB2 MET 71 -4.875 -6.682 13.828 508 HB3 MET 71 HB3 MET 71 -6.442 -7.109 13.996 509 HG2 MET 71 HG2 MET 71 -5.916 -7.646 16.280 510 HG3 MET 71 HG3 MET 71 -4.485 -6.898 16.037 511 HE1 MET 71 HE1 MET 71 -5.294 -3.196 15.665 512 HE2 MET 71 HE2 MET 71 -4.798 -4.278 14.570 513 HE3 MET 71 HE3 MET 71 -4.129 -4.253 16.042 514 H MET 72 H MET 72 -3.734 -8.672 11.939 515 HA MET 72 HA MET 72 -5.764 -8.893 10.082 516 HB2 MET 72 HB2 MET 72 -3.372 -8.142 9.763 517 HB3 MET 72 HB3 MET 72 -3.064 -9.720 9.474 518 HG2 MET 72 HG2 MET 72 -3.269 -8.577 7.500 519 HG3 MET 72 HG3 MET 72 -4.442 -9.703 7.648 520 HE1 MET 72 HE1 MET 72 -5.147 -5.246 8.404 521 HE2 MET 72 HE2 MET 72 -3.709 -5.846 7.974 522 HE3 MET 72 HE3 MET 72 -4.336 -6.208 9.420 523 H ALA 73 H ALA 73 -3.910 -11.283 11.701 524 HA ALA 73 HA ALA 73 -4.943 -13.402 10.132 525 HB1 ALA 73 HB1 ALA 73 -2.772 -13.663 11.147 526 HB2 ALA 73 HB2 ALA 73 -3.746 -14.832 11.695 527 HB3 ALA 73 HB3 ALA 73 -3.429 -13.545 12.620 528 H ARG 74 H ARG 74 -5.524 -11.981 13.214 529 HA ARG 74 HA ARG 74 -7.192 -13.826 14.280 530 HB2 ARG 74 HB2 ARG 74 -6.165 -11.803 15.363 531 HB3 ARG 74 HB3 ARG 74 -7.422 -10.949 14.763 532 HG2 ARG 74 HG2 ARG 74 -8.900 -12.176 16.128 533 HG3 ARG 74 HG3 ARG 74 -7.636 -13.015 16.734 534 HD2 ARG 74 HD2 ARG 74 -7.931 -11.408 18.333 535 HD3 ARG 74 HD3 ARG 74 -6.764 -10.737 17.410 536 HE ARG 74 HE ARG 74 -9.172 -9.881 16.400 537 HH11 ARG 74 HH11 ARG 74 -10.034 -7.909 16.875 538 HH12 ARG 74 HH12 ARG 74 -9.487 -7.007 18.247 539 HH21 ARG 74 HH21 ARG 74 -7.230 -9.364 19.303 540 HH22 ARG 74 HH22 ARG 74 -7.935 -7.809 19.592 541 H LYS 75 H LYS 75 -8.172 -11.209 12.245 542 HA LYS 75 HA LYS 75 -10.882 -11.665 12.784 543 HB2 LYS 75 HB2 LYS 75 -11.247 -9.705 11.723 544 HB3 LYS 75 HB3 LYS 75 -9.635 -9.552 11.943 545 HG2 LYS 75 HG2 LYS 75 -10.826 -10.374 9.461 546 HG3 LYS 75 HG3 LYS 75 -10.329 -8.851 9.776 547 HD2 LYS 75 HD2 LYS 75 -8.123 -9.775 10.146 548 HD3 LYS 75 HD3 LYS 75 -8.691 -11.170 9.514 549 HE2 LYS 75 HE2 LYS 75 -8.618 -8.659 8.096 550 HE3 LYS 75 HE3 LYS 75 -7.568 -9.886 7.848 551 HZ1 LYS 75 HZ1 LYS 75 -9.249 -9.898 6.183 552 HZ2 LYS 75 HZ2 LYS 75 -10.392 -10.028 7.322 553 HZ3 LYS 75 HZ3 LYS 75 -9.352 -11.243 7.075 554 H MET 76 H MET 76 -9.207 -13.769 11.267 555 HA MET 76 HA MET 76 -10.915 -14.129 9.059 556 HB2 MET 76 HB2 MET 76 -8.579 -14.681 8.873 557 HB3 MET 76 HB3 MET 76 -8.781 -15.877 9.967 558 HG2 MET 76 HG2 MET 76 -8.641 -16.770 7.874 559 HG3 MET 76 HG3 MET 76 -10.122 -17.034 8.509 560 HE1 MET 76 HE1 MET 76 -12.241 -16.350 5.598 561 HE2 MET 76 HE2 MET 76 -12.298 -16.651 7.186 562 HE3 MET 76 HE3 MET 76 -11.409 -17.591 6.217 563 H LYS 77 H LYS 77 -12.984 -14.491 9.823 564 HA LYS 77 HA LYS 77 -14.691 -15.785 10.461 565 HB2 LYS 77 HB2 LYS 77 -13.791 -17.292 8.800 566 HB3 LYS 77 HB3 LYS 77 -13.077 -18.122 10.012 567 HG2 LYS 77 HG2 LYS 77 -15.413 -18.401 10.890 568 HG3 LYS 77 HG3 LYS 77 -15.868 -18.020 9.368 569 HD2 LYS 77 HD2 LYS 77 -15.780 -20.230 9.145 570 HD3 LYS 77 HD3 LYS 77 -14.228 -19.884 8.774 571 HE2 LYS 77 HE2 LYS 77 -15.064 -20.644 11.438 572 HE3 LYS 77 HE3 LYS 77 -14.450 -21.715 10.369 573 HZ1 LYS 77 HZ1 LYS 77 -12.782 -21.049 11.909 574 HZ2 LYS 77 HZ2 LYS 77 -12.981 -19.502 11.481 575 HZ3 LYS 77 HZ3 LYS 77 -12.372 -20.562 10.422 576 H ASP 78 H ASP 78 -14.001 -14.670 12.431 577 HA ASP 78 HA ASP 78 -13.231 -16.282 14.625 578 HB2 ASP 78 HB2 ASP 78 -13.535 -14.111 15.830 579 HB3 ASP 78 HB3 ASP 78 -12.345 -14.150 14.712 580 H THR 79 H THR 79 -15.370 -17.449 13.690 581 HA THR 79 HA THR 79 -17.691 -16.533 15.000 582 HB THR 79 HB THR 79 -18.670 -18.663 14.086 583 HG1 THR 79 HG1 THR 79 -17.398 -19.827 12.689 584 HG21 THR 79 HG21 THR 79 -18.640 -17.907 11.805 585 HG22 THR 79 HG22 THR 79 -17.379 -16.944 12.122 586 HG23 THR 79 HG23 THR 79 -18.827 -16.622 12.768 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -2.867 -22.691 14.586 2 H2 ALA 1 H2 ALA 1 -1.757 -22.177 13.530 3 H3 ALA 1 H3 ALA 1 -3.322 -22.166 13.127 4 HA ALA 1 HA ALA 1 -3.759 -20.516 14.706 5 HB1 ALA 1 HB1 ALA 1 -2.041 -21.073 16.351 6 HB2 ALA 1 HB2 ALA 1 -1.963 -19.495 16.006 7 HB3 ALA 1 HB3 ALA 1 -0.898 -20.519 15.349 8 H ASP 2 H ASP 2 -0.593 -20.180 13.314 9 HA ASP 2 HA ASP 2 -1.081 -17.821 11.960 10 HB2 ASP 2 HB2 ASP 2 0.789 -19.833 11.080 11 HB3 ASP 2 HB3 ASP 2 0.948 -18.216 10.910 12 H GLN 3 H GLN 3 -1.952 -17.375 9.913 13 HA GLN 3 HA GLN 3 -2.830 -19.661 8.358 14 HB2 GLN 3 HB2 GLN 3 -4.629 -18.714 9.747 15 HB3 GLN 3 HB3 GLN 3 -4.559 -17.406 8.772 16 HG2 GLN 3 HG2 GLN 3 -6.343 -18.885 8.162 17 HG3 GLN 3 HG3 GLN 3 -5.282 -18.680 6.939 18 HE21 GLN 3 HE21 GLN 3 -4.948 -20.439 5.781 19 HE22 GLN 3 HE22 GLN 3 -4.845 -22.034 6.451 20 H LEU 4 H LEU 4 -0.539 -18.173 8.048 21 HA LEU 4 HA LEU 4 -1.051 -16.807 5.547 22 HB2 LEU 4 HB2 LEU 4 0.922 -16.050 7.512 23 HB3 LEU 4 HB3 LEU 4 0.783 -15.347 6.044 24 HG LEU 4 HG LEU 4 -1.234 -15.137 8.077 25 HD11 LEU 4 HD11 LEU 4 -0.373 -12.906 8.470 26 HD12 LEU 4 HD12 LEU 4 0.816 -13.179 7.408 27 HD13 LEU 4 HD13 LEU 4 0.769 -14.002 8.800 28 HD21 LEU 4 HD21 LEU 4 -2.138 -13.373 6.736 29 HD22 LEU 4 HD22 LEU 4 -2.123 -14.759 5.903 30 HD23 LEU 4 HD23 LEU 4 -0.998 -13.632 5.619 31 H THR 5 H THR 5 0.433 -17.337 3.845 32 HA THR 5 HA THR 5 2.136 -19.552 4.432 33 HB THR 5 HB THR 5 2.551 -19.605 2.010 34 HG1 THR 5 HG1 THR 5 1.648 -18.182 0.698 35 HG21 THR 5 HG21 THR 5 0.344 -20.315 1.387 36 HG22 THR 5 HG22 THR 5 -0.278 -19.581 2.686 37 HG23 THR 5 HG23 THR 5 0.667 -20.881 2.866 38 H GLU 6 H GLU 6 4.477 -19.465 3.855 39 HA GLU 6 HA GLU 6 5.703 -17.167 4.670 40 HB2 GLU 6 HB2 GLU 6 7.750 -18.136 3.792 41 HB3 GLU 6 HB3 GLU 6 6.910 -19.158 4.749 42 HG2 GLU 6 HG2 GLU 6 6.912 -19.312 1.863 43 HG3 GLU 6 HG3 GLU 6 7.817 -20.273 2.824 44 H GLU 7 H GLU 7 4.711 -18.099 1.524 45 HA GLU 7 HA GLU 7 6.077 -16.148 0.120 46 HB2 GLU 7 HB2 GLU 7 3.596 -17.469 -0.601 47 HB3 GLU 7 HB3 GLU 7 4.521 -16.643 -1.664 48 HG2 GLU 7 HG2 GLU 7 6.284 -18.239 -1.301 49 HG3 GLU 7 HG3 GLU 7 5.270 -19.095 -0.348 50 H GLN 8 H GLN 8 2.891 -16.122 1.542 51 HA GLN 8 HA GLN 8 2.257 -13.612 0.542 52 HB2 GLN 8 HB2 GLN 8 1.049 -15.222 2.606 53 HB3 GLN 8 HB3 GLN 8 0.485 -13.709 2.362 54 HG2 GLN 8 HG2 GLN 8 0.431 -15.816 0.404 55 HG3 GLN 8 HG3 GLN 8 -0.868 -15.286 1.240 56 HE21 GLN 8 HE21 GLN 8 -0.472 -12.523 1.100 57 HE22 GLN 8 HE22 GLN 8 -0.685 -12.042 -0.550 58 H ILE 9 H ILE 9 3.937 -14.588 3.342 59 HA ILE 9 HA ILE 9 3.625 -12.256 4.802 60 HB ILE 9 HB ILE 9 5.766 -14.210 4.973 61 HG12 ILE 9 HG12 ILE 9 3.605 -13.767 6.845 62 HG13 ILE 9 HG13 ILE 9 3.473 -14.842 5.623 63 HG21 ILE 9 HG21 ILE 9 6.425 -13.204 7.085 64 HG22 ILE 9 HG22 ILE 9 5.334 -12.029 6.872 65 HG23 ILE 9 HG23 ILE 9 6.616 -12.130 5.891 66 HD11 ILE 9 HD11 ILE 9 4.001 -15.981 7.662 67 HD12 ILE 9 HD12 ILE 9 5.348 -15.102 7.822 68 HD13 ILE 9 HD13 ILE 9 5.217 -16.167 6.613 69 H ALA 10 H ALA 10 5.747 -13.079 2.184 70 HA ALA 10 HA ALA 10 7.435 -10.907 2.418 71 HB1 ALA 10 HB1 ALA 10 7.968 -12.736 0.944 72 HB2 ALA 10 HB2 ALA 10 8.046 -11.350 0.114 73 HB3 ALA 10 HB3 ALA 10 6.756 -12.313 -0.039 74 H GLU 11 H GLU 11 4.487 -11.279 0.560 75 HA GLU 11 HA GLU 11 4.442 -8.758 -0.551 76 HB2 GLU 11 HB2 GLU 11 2.983 -10.555 -1.234 77 HB3 GLU 11 HB3 GLU 11 2.138 -10.371 0.151 78 HG2 GLU 11 HG2 GLU 11 1.513 -8.171 -0.594 79 HG3 GLU 11 HG3 GLU 11 2.237 -8.495 -2.022 80 H PHE 12 H PHE 12 3.167 -9.940 2.432 81 HA PHE 12 HA PHE 12 1.884 -7.643 3.247 82 HB2 PHE 12 HB2 PHE 12 1.688 -9.913 4.215 83 HB3 PHE 12 HB3 PHE 12 3.057 -9.589 5.043 84 HD1 PHE 12 HD1 PHE 12 -0.415 -8.795 4.769 85 HD2 PHE 12 HD2 PHE 12 3.038 -8.175 7.004 86 HE1 PHE 12 HE1 PHE 12 -1.744 -7.829 6.534 87 HE2 PHE 12 HE2 PHE 12 1.723 -7.190 8.768 88 HZ PHE 12 HZ PHE 12 -0.677 -7.038 8.547 89 H LYS 13 H LYS 13 5.143 -8.702 3.729 90 HA LYS 13 HA LYS 13 5.936 -6.637 5.390 91 HB2 LYS 13 HB2 LYS 13 7.252 -8.616 5.137 92 HB3 LYS 13 HB3 LYS 13 7.560 -8.223 3.582 93 HG2 LYS 13 HG2 LYS 13 8.690 -6.224 4.506 94 HG3 LYS 13 HG3 LYS 13 8.663 -7.021 5.931 95 HD2 LYS 13 HD2 LYS 13 9.930 -8.757 5.037 96 HD3 LYS 13 HD3 LYS 13 9.857 -8.086 3.550 97 HE2 LYS 13 HE2 LYS 13 11.069 -6.186 4.398 98 HE3 LYS 13 HE3 LYS 13 11.227 -6.965 5.825 99 HZ1 LYS 13 HZ1 LYS 13 13.185 -7.239 4.524 100 HZ2 LYS 13 HZ2 LYS 13 12.313 -7.900 3.334 101 HZ3 LYS 13 HZ3 LYS 13 12.469 -8.672 4.747 102 H GLU 14 H GLU 14 6.115 -7.028 1.935 103 HA GLU 14 HA GLU 14 7.481 -4.719 1.407 104 HB2 GLU 14 HB2 GLU 14 6.005 -6.531 -0.142 105 HB3 GLU 14 HB3 GLU 14 6.002 -5.026 -0.776 106 HG2 GLU 14 HG2 GLU 14 7.770 -5.994 -1.803 107 HG3 GLU 14 HG3 GLU 14 8.474 -5.149 -0.597 108 H ALA 15 H ALA 15 4.041 -5.255 1.694 109 HA ALA 15 HA ALA 15 3.312 -2.692 0.988 110 HB1 ALA 15 HB1 ALA 15 1.700 -4.484 1.070 111 HB2 ALA 15 HB2 ALA 15 1.155 -3.236 1.941 112 HB3 ALA 15 HB3 ALA 15 1.808 -4.515 2.684 113 H PHE 16 H PHE 16 4.119 -4.024 4.100 114 HA PHE 16 HA PHE 16 3.381 -1.801 5.606 115 HB2 PHE 16 HB2 PHE 16 3.892 -4.028 6.495 116 HB3 PHE 16 HB3 PHE 16 5.471 -3.643 6.355 117 HD1 PHE 16 HD1 PHE 16 6.585 -2.327 8.045 118 HD2 PHE 16 HD2 PHE 16 2.449 -2.787 8.133 119 HE1 PHE 16 HE1 PHE 16 6.525 -1.352 10.264 120 HE2 PHE 16 HE2 PHE 16 2.382 -1.820 10.348 121 HZ PHE 16 HZ PHE 16 4.423 -1.103 11.414 122 H SER 17 H SER 17 6.322 -2.722 4.066 123 HA SER 17 HA SER 17 7.920 -0.733 4.998 124 HB2 SER 17 HB2 SER 17 8.760 -2.696 3.784 125 HB3 SER 17 HB3 SER 17 8.204 -2.046 2.393 126 HG SER 17 HG SER 17 9.618 -0.259 2.839 127 H LEU 18 H LEU 18 5.482 -0.408 2.715 128 HA LEU 18 HA LEU 18 6.587 1.840 1.472 129 HB2 LEU 18 HB2 LEU 18 3.874 0.826 1.435 130 HB3 LEU 18 HB3 LEU 18 4.326 2.101 0.520 131 HG LEU 18 HG LEU 18 5.420 -0.528 0.162 132 HD11 LEU 18 HD11 LEU 18 3.921 -0.735 -1.725 133 HD12 LEU 18 HD12 LEU 18 3.254 0.690 -1.349 134 HD13 LEU 18 HD13 LEU 18 3.071 -0.576 -0.359 135 HD21 LEU 18 HD21 LEU 18 6.207 0.301 -1.948 136 HD22 LEU 18 HD22 LEU 18 6.830 1.175 -0.739 137 HD23 LEU 18 HD23 LEU 18 5.597 1.760 -1.607 138 H PHE 19 H PHE 19 4.783 1.372 4.306 139 HA PHE 19 HA PHE 19 4.312 4.190 4.459 140 HB2 PHE 19 HB2 PHE 19 2.579 2.122 5.566 141 HB3 PHE 19 HB3 PHE 19 2.251 3.718 5.675 142 HD1 PHE 19 HD1 PHE 19 1.506 4.988 3.672 143 HD2 PHE 19 HD2 PHE 19 2.102 0.877 3.552 144 HE1 PHE 19 HE1 PHE 19 0.317 4.881 1.570 145 HE2 PHE 19 HE2 PHE 19 0.950 0.757 1.441 146 HZ PHE 19 HZ PHE 19 0.036 2.758 0.451 147 H ASP 20 H ASP 20 5.889 1.794 6.057 148 HA ASP 20 HA ASP 20 5.837 2.997 8.623 149 HB2 ASP 20 HB2 ASP 20 7.321 1.290 9.289 150 HB3 ASP 20 HB3 ASP 20 6.165 0.618 8.351 151 H LYS 21 H LYS 21 6.592 4.682 6.551 152 HA LYS 21 HA LYS 21 9.306 5.002 6.279 153 HB2 LYS 21 HB2 LYS 21 7.422 5.851 4.851 154 HB3 LYS 21 HB3 LYS 21 7.320 7.094 5.904 155 HG2 LYS 21 HG2 LYS 21 9.545 7.730 5.288 156 HG3 LYS 21 HG3 LYS 21 9.523 6.560 4.149 157 HD2 LYS 21 HD2 LYS 21 7.715 7.612 3.080 158 HD3 LYS 21 HD3 LYS 21 7.687 8.764 4.237 159 HE2 LYS 21 HE2 LYS 21 9.923 9.389 3.584 160 HE3 LYS 21 HE3 LYS 21 9.815 8.329 2.346 161 HZ1 LYS 21 HZ1 LYS 21 9.288 10.516 1.599 162 HZ2 LYS 21 HZ2 LYS 21 8.097 10.610 2.688 163 HZ3 LYS 21 HZ3 LYS 21 7.991 9.561 1.461 164 H ASP 22 H ASP 22 7.514 5.722 8.917 165 HA ASP 22 HA ASP 22 8.806 8.023 9.767 166 HB2 ASP 22 HB2 ASP 22 6.747 6.867 10.696 167 HB3 ASP 22 HB3 ASP 22 7.823 6.154 11.696 168 H GLY 23 H GLY 23 9.676 4.756 9.695 169 HA2 GLY 23 HA2 GLY 23 11.841 4.028 9.793 170 HA3 GLY 23 HA3 GLY 23 12.311 5.395 10.552 171 H ASP 24 H ASP 24 10.138 4.956 12.595 172 HA ASP 24 HA ASP 24 11.735 3.290 14.261 173 HB2 ASP 24 HB2 ASP 24 9.553 5.072 14.834 174 HB3 ASP 24 HB3 ASP 24 10.008 4.000 15.978 175 H GLY 25 H GLY 25 9.564 2.517 12.091 176 HA2 GLY 25 HA2 GLY 25 8.725 0.412 11.798 177 HA3 GLY 25 HA3 GLY 25 9.050 0.028 13.353 178 H THR 26 H THR 26 7.179 2.787 12.684 179 HA THR 26 HA THR 26 4.782 1.356 13.415 180 HB THR 26 HB THR 26 5.537 2.781 15.272 181 HG1 THR 26 HG1 THR 26 3.606 3.434 15.845 182 HG21 THR 26 HG21 THR 26 5.346 5.159 15.058 183 HG22 THR 26 HG22 THR 26 4.935 5.003 13.502 184 HG23 THR 26 HG23 THR 26 6.431 4.623 13.986 185 H ILE 27 H ILE 27 2.734 2.371 12.680 186 HA ILE 27 HA ILE 27 3.165 4.089 10.415 187 HB ILE 27 HB ILE 27 1.358 3.005 9.190 188 HG12 ILE 27 HG12 ILE 27 1.355 0.959 11.211 189 HG13 ILE 27 HG13 ILE 27 0.239 2.152 11.173 190 HG21 ILE 27 HG21 ILE 27 2.568 1.023 8.566 191 HG22 ILE 27 HG22 ILE 27 3.495 1.164 9.883 192 HG23 ILE 27 HG23 ILE 27 3.591 2.268 8.705 193 HD11 ILE 27 HD11 ILE 27 -0.662 0.160 10.200 194 HD12 ILE 27 HD12 ILE 27 0.533 0.134 9.110 195 HD13 ILE 27 HD13 ILE 27 -0.572 1.315 9.072 196 H THR 28 H THR 28 1.252 5.565 9.937 197 HA THR 28 HA THR 28 0.135 6.276 12.436 198 HB THR 28 HB THR 28 -0.725 8.272 11.368 199 HG1 THR 28 HG1 THR 28 -1.380 7.622 9.445 200 HG21 THR 28 HG21 THR 28 1.352 9.242 10.659 201 HG22 THR 28 HG22 THR 28 2.011 7.772 10.522 202 HG23 THR 28 HG23 THR 28 1.621 8.351 11.981 203 H THR 29 H THR 29 -2.061 6.143 13.064 204 HA THR 29 HA THR 29 -3.538 4.209 11.792 205 HB THR 29 HB THR 29 -3.957 4.693 14.117 206 HG1 THR 29 HG1 THR 29 -5.692 3.719 13.485 207 HG21 THR 29 HG21 THR 29 -5.115 6.683 14.790 208 HG22 THR 29 HG22 THR 29 -5.147 7.205 13.260 209 HG23 THR 29 HG23 THR 29 -3.741 7.112 14.053 210 H LYS 30 H LYS 30 -3.309 7.514 11.134 211 HA LYS 30 HA LYS 30 -5.743 7.748 9.810 212 HB2 LYS 30 HB2 LYS 30 -3.385 9.426 9.667 213 HB3 LYS 30 HB3 LYS 30 -4.786 9.844 8.939 214 HG2 LYS 30 HG2 LYS 30 -5.835 9.833 11.110 215 HG3 LYS 30 HG3 LYS 30 -4.357 9.609 11.769 216 HD2 LYS 30 HD2 LYS 30 -3.635 11.672 10.878 217 HD3 LYS 30 HD3 LYS 30 -5.096 11.892 10.183 218 HE2 LYS 30 HE2 LYS 30 -6.095 11.917 12.366 219 HE3 LYS 30 HE3 LYS 30 -4.604 11.798 13.024 220 HZ1 LYS 30 HZ1 LYS 30 -5.321 14.059 13.029 221 HZ2 LYS 30 HZ2 LYS 30 -5.503 14.016 11.423 222 HZ3 LYS 30 HZ3 LYS 30 -4.027 13.898 12.073 223 H GLU 31 H GLU 31 -2.902 6.314 8.870 224 HA GLU 31 HA GLU 31 -3.631 6.481 6.075 225 HB2 GLU 31 HB2 GLU 31 -1.387 7.256 6.842 226 HB3 GLU 31 HB3 GLU 31 -1.025 5.670 6.977 227 HG2 GLU 31 HG2 GLU 31 -0.994 5.359 4.762 228 HG3 GLU 31 HG3 GLU 31 -1.976 6.631 4.475 229 H LEU 32 H LEU 32 -4.212 4.614 8.526 230 HA LEU 32 HA LEU 32 -3.359 2.112 7.907 231 HB2 LEU 32 HB2 LEU 32 -4.465 2.705 9.955 232 HB3 LEU 32 HB3 LEU 32 -5.874 2.872 9.146 233 HG LEU 32 HG LEU 32 -5.918 0.503 8.825 234 HD11 LEU 32 HD11 LEU 32 -4.441 -0.889 10.077 235 HD12 LEU 32 HD12 LEU 32 -3.625 0.416 10.575 236 HD13 LEU 32 HD13 LEU 32 -3.607 0.000 9.013 237 HD21 LEU 32 HD21 LEU 32 -6.566 0.006 11.099 238 HD22 LEU 32 HD22 LEU 32 -7.133 1.458 10.669 239 HD23 LEU 32 HD23 LEU 32 -5.819 1.349 11.604 240 H GLY 33 H GLY 33 -6.238 3.657 6.718 241 HA2 GLY 33 HA2 GLY 33 -7.207 1.445 5.340 242 HA3 GLY 33 HA3 GLY 33 -7.610 3.000 5.042 243 H THR 34 H THR 34 -4.943 3.884 4.462 244 HA THR 34 HA THR 34 -4.899 3.279 1.767 245 HB THR 34 HB THR 34 -2.556 4.456 2.988 246 HG1 THR 34 HG1 THR 34 -4.315 6.357 2.709 247 HG21 THR 34 HG21 THR 34 -2.685 5.973 1.135 248 HG22 THR 34 HG22 THR 34 -4.091 5.320 0.676 249 HG23 THR 34 HG23 THR 34 -2.727 4.460 0.567 250 H VAL 35 H VAL 35 -3.057 2.099 4.454 251 HA VAL 35 HA VAL 35 -1.122 0.784 3.051 252 HB VAL 35 HB VAL 35 -2.205 -0.157 5.607 253 HG11 VAL 35 HG11 VAL 35 -0.076 -1.238 5.951 254 HG12 VAL 35 HG12 VAL 35 0.419 -0.743 4.493 255 HG13 VAL 35 HG13 VAL 35 -0.776 -1.826 4.617 256 HG21 VAL 35 HG21 VAL 35 -0.509 1.136 6.689 257 HG22 VAL 35 HG22 VAL 35 -1.485 2.103 5.836 258 HG23 VAL 35 HG23 VAL 35 -0.026 1.713 5.257 259 H MET 36 H MET 36 -4.196 -0.376 4.229 260 HA MET 36 HA MET 36 -3.947 -2.889 3.077 261 HB2 MET 36 HB2 MET 36 -6.065 -1.499 4.357 262 HB3 MET 36 HB3 MET 36 -6.509 -2.771 3.433 263 HG2 MET 36 HG2 MET 36 -5.240 -4.199 4.642 264 HG3 MET 36 HG3 MET 36 -4.514 -2.970 5.435 265 HE1 MET 36 HE1 MET 36 -6.796 -1.901 8.125 266 HE2 MET 36 HE2 MET 36 -6.248 -1.165 6.795 267 HE3 MET 36 HE3 MET 36 -5.250 -2.074 7.682 268 H ARG 37 H ARG 37 -5.189 0.068 1.806 269 HA ARG 37 HA ARG 37 -6.399 -1.039 -0.415 270 HB2 ARG 37 HB2 ARG 37 -6.714 1.259 0.168 271 HB3 ARG 37 HB3 ARG 37 -5.178 1.579 -0.284 272 HG2 ARG 37 HG2 ARG 37 -5.714 1.042 -2.524 273 HG3 ARG 37 HG3 ARG 37 -7.246 0.692 -2.080 274 HD2 ARG 37 HD2 ARG 37 -7.617 2.950 -1.516 275 HD3 ARG 37 HD3 ARG 37 -6.073 3.312 -1.903 276 HE ARG 37 HE ARG 37 -7.193 2.139 -4.129 277 HH11 ARG 37 HH11 ARG 37 -7.563 5.142 -2.334 278 HH12 ARG 37 HH12 ARG 37 -8.122 6.006 -3.727 279 HH21 ARG 37 HH21 ARG 37 -7.903 3.304 -5.863 280 HH22 ARG 37 HH22 ARG 37 -8.310 4.979 -5.696 281 H SER 38 H SER 38 -3.109 -0.116 0.193 282 HA SER 38 HA SER 38 -2.192 -0.585 -2.395 283 HB2 SER 38 HB2 SER 38 -0.943 0.723 -0.737 284 HB3 SER 38 HB3 SER 38 -0.542 -0.678 -0.001 285 HG SER 38 HG SER 38 0.023 -0.691 -2.599 286 H LEU 39 H LEU 39 -2.536 -2.550 0.393 287 HA LEU 39 HA LEU 39 -1.220 -4.810 -0.617 288 HB2 LEU 39 HB2 LEU 39 -1.537 -4.357 1.732 289 HB3 LEU 39 HB3 LEU 39 -3.139 -4.613 1.544 290 HG LEU 39 HG LEU 39 -2.740 -6.918 1.243 291 HD11 LEU 39 HD11 LEU 39 -0.598 -7.885 1.592 292 HD12 LEU 39 HD12 LEU 39 0.059 -6.411 1.696 293 HD13 LEU 39 HD13 LEU 39 -0.575 -6.917 0.296 294 HD21 LEU 39 HD21 LEU 39 -2.083 -7.365 3.548 295 HD22 LEU 39 HD22 LEU 39 -3.098 -6.107 3.503 296 HD23 LEU 39 HD23 LEU 39 -1.509 -5.858 3.671 297 H GLY 40 H GLY 40 -4.225 -3.518 -1.273 298 HA2 GLY 40 HA2 GLY 40 -5.716 -4.344 -2.805 299 HA3 GLY 40 HA3 GLY 40 -4.929 -5.774 -2.854 300 H GLN 41 H GLN 41 -5.600 -4.762 0.230 301 HA GLN 41 HA GLN 41 -7.555 -6.805 0.594 302 HB2 GLN 41 HB2 GLN 41 -5.672 -6.317 2.131 303 HB3 GLN 41 HB3 GLN 41 -6.561 -5.045 2.644 304 HG2 GLN 41 HG2 GLN 41 -8.238 -6.523 3.411 305 HG3 GLN 41 HG3 GLN 41 -7.356 -7.796 2.892 306 HE21 GLN 41 HE21 GLN 41 -8.336 -6.948 5.579 307 HE22 GLN 41 HE22 GLN 41 -6.915 -6.968 6.571 308 H ASN 42 H ASN 42 -9.736 -6.539 1.116 309 HA ASN 42 HA ASN 42 -10.633 -3.830 0.954 310 HB2 ASN 42 HB2 ASN 42 -12.589 -4.641 -0.266 311 HB3 ASN 42 HB3 ASN 42 -11.233 -5.161 -1.012 312 HD21 ASN 42 HD21 ASN 42 -14.022 -6.186 -0.914 313 HD22 ASN 42 HD22 ASN 42 -13.847 -7.852 -0.475 314 HA PRO 43 HA PRO 43 -12.635 -5.354 4.663 315 HB2 PRO 43 HB2 PRO 43 -11.620 -3.838 6.588 316 HB3 PRO 43 HB3 PRO 43 -10.724 -5.104 6.077 317 HG2 PRO 43 HG2 PRO 43 -10.537 -2.389 5.240 318 HG3 PRO 43 HG3 PRO 43 -9.328 -3.361 5.751 319 HD2 PRO 43 HD2 PRO 43 -9.752 -3.050 3.197 320 HD3 PRO 43 HD3 PRO 43 -9.243 -4.493 3.765 321 H THR 44 H THR 44 -14.334 -4.444 5.968 322 HA THR 44 HA THR 44 -15.544 -2.263 4.705 323 HB THR 44 HB THR 44 -16.567 -2.799 7.288 324 HG1 THR 44 HG1 THR 44 -16.487 -4.857 7.335 325 HG21 THR 44 HG21 THR 44 -18.591 -3.203 6.087 326 HG22 THR 44 HG22 THR 44 -17.783 -3.207 4.686 327 HG23 THR 44 HG23 THR 44 -17.927 -1.837 5.533 328 H GLU 45 H GLU 45 -15.821 -0.076 5.518 329 HA GLU 45 HA GLU 45 -13.629 0.981 6.776 330 HB2 GLU 45 HB2 GLU 45 -15.296 2.151 5.389 331 HB3 GLU 45 HB3 GLU 45 -16.290 2.150 6.685 332 HG2 GLU 45 HG2 GLU 45 -15.415 4.229 6.591 333 HG3 GLU 45 HG3 GLU 45 -14.642 3.485 7.822 334 H ALA 46 H ALA 46 -16.563 -0.162 8.134 335 HA ALA 46 HA ALA 46 -16.275 0.976 10.624 336 HB1 ALA 46 HB1 ALA 46 -18.380 0.007 9.879 337 HB2 ALA 46 HB2 ALA 46 -17.987 -0.624 11.315 338 HB3 ALA 46 HB3 ALA 46 -17.734 -1.472 9.962 339 H GLU 47 H GLU 47 -15.047 -1.976 9.348 340 HA GLU 47 HA GLU 47 -14.344 -3.198 11.688 341 HB2 GLU 47 HB2 GLU 47 -12.743 -3.453 9.289 342 HB3 GLU 47 HB3 GLU 47 -12.963 -4.607 10.425 343 HG2 GLU 47 HG2 GLU 47 -15.161 -3.788 8.814 344 HG3 GLU 47 HG3 GLU 47 -14.087 -4.869 8.228 345 H LEU 48 H LEU 48 -12.773 -0.812 9.788 346 HA LEU 48 HA LEU 48 -10.274 -0.984 10.914 347 HB2 LEU 48 HB2 LEU 48 -11.471 1.402 9.793 348 HB3 LEU 48 HB3 LEU 48 -9.864 1.168 9.968 349 HG LEU 48 HG LEU 48 -11.494 -0.269 8.085 350 HD11 LEU 48 HD11 LEU 48 -10.418 1.115 6.413 351 HD12 LEU 48 HD12 LEU 48 -9.641 1.920 7.581 352 HD13 LEU 48 HD13 LEU 48 -11.247 2.047 7.443 353 HD21 LEU 48 HD21 LEU 48 -9.456 -1.074 7.168 354 HD22 LEU 48 HD22 LEU 48 -9.608 -1.553 8.705 355 HD23 LEU 48 HD23 LEU 48 -8.626 -0.322 8.336 356 H GLN 49 H GLN 49 -13.085 0.829 11.789 357 HA GLN 49 HA GLN 49 -11.862 2.435 13.678 358 HB2 GLN 49 HB2 GLN 49 -14.640 1.691 13.851 359 HB3 GLN 49 HB3 GLN 49 -13.978 3.104 14.331 360 HG2 GLN 49 HG2 GLN 49 -14.453 2.308 11.607 361 HG3 GLN 49 HG3 GLN 49 -15.235 3.498 12.408 362 HE21 GLN 49 HE21 GLN 49 -13.191 3.035 10.047 363 HE22 GLN 49 HE22 GLN 49 -12.235 4.474 10.166 364 H ASP 50 H ASP 50 -13.370 -0.667 13.833 365 HA ASP 50 HA ASP 50 -13.303 -0.912 16.591 366 HB2 ASP 50 HB2 ASP 50 -13.532 -2.926 14.541 367 HB3 ASP 50 HB3 ASP 50 -13.603 -3.321 16.124 368 H MET 51 H MET 51 -10.957 -1.685 14.156 369 HA MET 51 HA MET 51 -9.243 -3.006 15.900 370 HB2 MET 51 HB2 MET 51 -8.604 -1.742 13.375 371 HB3 MET 51 HB3 MET 51 -7.538 -2.680 14.182 372 HG2 MET 51 HG2 MET 51 -9.186 -4.430 14.013 373 HG3 MET 51 HG3 MET 51 -9.952 -3.471 12.936 374 HE1 MET 51 HE1 MET 51 -7.612 -3.332 9.925 375 HE2 MET 51 HE2 MET 51 -7.873 -2.232 11.082 376 HE3 MET 51 HE3 MET 51 -9.117 -3.044 10.442 377 H ILE 52 H ILE 52 -9.703 0.302 15.133 378 HA ILE 52 HA ILE 52 -7.328 1.230 16.270 379 HB ILE 52 HB ILE 52 -9.757 2.706 15.629 380 HG12 ILE 52 HG12 ILE 52 -7.220 2.901 14.270 381 HG13 ILE 52 HG13 ILE 52 -8.314 1.770 13.833 382 HG21 ILE 52 HG21 ILE 52 -8.530 4.770 15.943 383 HG22 ILE 52 HG22 ILE 52 -7.245 3.936 16.459 384 HG23 ILE 52 HG23 ILE 52 -8.599 3.961 17.342 385 HD11 ILE 52 HD11 ILE 52 -8.462 3.660 12.357 386 HD12 ILE 52 HD12 ILE 52 -8.763 4.634 13.613 387 HD13 ILE 52 HD13 ILE 52 -9.846 3.514 13.180 388 H ASN 53 H ASN 53 -10.499 0.613 17.513 389 HA ASN 53 HA ASN 53 -10.286 1.906 19.882 390 HB2 ASN 53 HB2 ASN 53 -11.741 -0.516 19.253 391 HB3 ASN 53 HB3 ASN 53 -11.856 0.133 20.747 392 HD21 ASN 53 HD21 ASN 53 -13.715 -0.289 18.408 393 HD22 ASN 53 HD22 ASN 53 -14.508 1.244 18.267 394 H GLU 54 H GLU 54 -8.852 -1.074 18.970 395 HA GLU 54 HA GLU 54 -8.197 -1.992 21.501 396 HB2 GLU 54 HB2 GLU 54 -8.103 -3.253 19.365 397 HB3 GLU 54 HB3 GLU 54 -6.648 -2.552 19.120 398 HG2 GLU 54 HG2 GLU 54 -5.936 -4.461 19.981 399 HG3 GLU 54 HG3 GLU 54 -6.144 -3.645 21.379 400 H VAL 55 H VAL 55 -6.512 0.111 19.307 401 HA VAL 55 HA VAL 55 -4.241 0.250 21.007 402 HB VAL 55 HB VAL 55 -4.383 0.464 18.374 403 HG11 VAL 55 HG11 VAL 55 -3.915 2.691 17.648 404 HG12 VAL 55 HG12 VAL 55 -4.131 3.237 19.154 405 HG13 VAL 55 HG13 VAL 55 -5.379 2.623 18.330 406 HG21 VAL 55 HG21 VAL 55 -2.088 1.150 18.389 407 HG22 VAL 55 HG22 VAL 55 -2.345 0.025 19.523 408 HG23 VAL 55 HG23 VAL 55 -2.227 1.583 19.941 409 H ASP 56 H ASP 56 -7.062 1.997 20.554 410 HA ASP 56 HA ASP 56 -6.220 4.414 21.626 411 HB2 ASP 56 HB2 ASP 56 -8.789 3.306 21.078 412 HB3 ASP 56 HB3 ASP 56 -8.758 4.585 22.094 413 H ALA 57 H ALA 57 -6.574 1.482 23.054 414 HA ALA 57 HA ALA 57 -7.485 2.111 25.568 415 HB1 ALA 57 HB1 ALA 57 -7.167 -0.175 24.876 416 HB2 ALA 57 HB2 ALA 57 -6.374 0.065 26.265 417 HB3 ALA 57 HB3 ALA 57 -5.564 0.036 24.867 418 H ASP 58 H ASP 58 -4.284 2.274 24.205 419 HA ASP 58 HA ASP 58 -3.282 3.559 26.573 420 HB2 ASP 58 HB2 ASP 58 -1.990 2.254 24.400 421 HB3 ASP 58 HB3 ASP 58 -1.153 3.471 25.097 422 H GLY 59 H GLY 59 -4.344 4.195 23.422 423 HA2 GLY 59 HA2 GLY 59 -4.799 6.188 22.481 424 HA3 GLY 59 HA3 GLY 59 -4.376 6.943 23.866 425 H ASN 60 H ASN 60 -2.189 4.988 22.035 426 HA ASN 60 HA ASN 60 -0.372 7.094 21.987 427 HB2 ASN 60 HB2 ASN 60 1.132 5.511 20.913 428 HB3 ASN 60 HB3 ASN 60 0.364 4.780 22.155 429 HD21 ASN 60 HD21 ASN 60 1.552 3.264 20.237 430 HD22 ASN 60 HD22 ASN 60 0.324 2.479 19.301 431 H GLY 61 H GLY 61 -2.693 6.176 19.721 432 HA2 GLY 61 HA2 GLY 61 -3.296 7.311 17.870 433 HA3 GLY 61 HA3 GLY 61 -2.104 8.398 18.126 434 H THR 62 H THR 62 -0.679 5.490 17.995 435 HA THR 62 HA THR 62 -0.231 5.567 15.135 436 HB THR 62 HB THR 62 2.132 5.002 15.557 437 HG1 THR 62 HG1 THR 62 1.899 5.981 18.082 438 HG21 THR 62 HG21 THR 62 2.815 7.247 16.079 439 HG22 THR 62 HG22 THR 62 1.333 7.588 16.632 440 HG23 THR 62 HG23 THR 62 1.566 7.318 15.054 441 H ILE 63 H ILE 63 0.838 3.326 14.465 442 HA ILE 63 HA ILE 63 -0.178 1.266 16.209 443 HB ILE 63 HB ILE 63 -0.633 1.185 13.339 444 HG12 ILE 63 HG12 ILE 63 -2.639 1.412 15.405 445 HG13 ILE 63 HG13 ILE 63 -2.118 2.686 14.527 446 HG21 ILE 63 HG21 ILE 63 -1.810 -0.893 13.769 447 HG22 ILE 63 HG22 ILE 63 -1.424 -0.794 15.336 448 HG23 ILE 63 HG23 ILE 63 -0.268 -1.038 14.233 449 HD11 ILE 63 HD11 ILE 63 -4.209 1.913 13.682 450 HD12 ILE 63 HD12 ILE 63 -3.580 0.444 13.427 451 HD13 ILE 63 HD13 ILE 63 -3.065 1.707 12.558 452 H ASP 64 H ASP 64 1.621 0.255 16.896 453 HA ASP 64 HA ASP 64 3.959 0.343 15.339 454 HB2 ASP 64 HB2 ASP 64 3.411 -0.850 17.905 455 HB3 ASP 64 HB3 ASP 64 4.879 -1.003 17.205 456 H PHE 65 H PHE 65 5.277 -1.586 14.731 457 HA PHE 65 HA PHE 65 3.798 -3.178 13.202 458 HB2 PHE 65 HB2 PHE 65 5.815 -4.475 12.783 459 HB3 PHE 65 HB3 PHE 65 6.184 -2.888 12.882 460 HD1 PHE 65 HD1 PHE 65 6.721 -6.073 14.330 461 HD2 PHE 65 HD2 PHE 65 7.373 -1.997 14.884 462 HE1 PHE 65 HE1 PHE 65 8.339 -6.569 16.053 463 HE2 PHE 65 HE2 PHE 65 8.988 -2.482 16.606 464 HZ PHE 65 HZ PHE 65 9.463 -4.770 17.206 465 HA PRO 66 HA PRO 66 3.570 -6.787 15.807 466 HB2 PRO 66 HB2 PRO 66 3.512 -6.743 18.466 467 HB3 PRO 66 HB3 PRO 66 4.968 -6.794 17.730 468 HG2 PRO 66 HG2 PRO 66 3.600 -4.511 18.737 469 HG3 PRO 66 HG3 PRO 66 5.159 -4.933 18.979 470 HD2 PRO 66 HD2 PRO 66 4.532 -3.181 17.148 471 HD3 PRO 66 HD3 PRO 66 5.800 -4.186 16.930 472 H GLU 67 H GLU 67 2.092 -3.933 16.874 473 HA GLU 67 HA GLU 67 -0.302 -5.088 17.737 474 HB2 GLU 67 HB2 GLU 67 0.104 -2.384 16.789 475 HB3 GLU 67 HB3 GLU 67 -1.133 -2.868 17.739 476 HG2 GLU 67 HG2 GLU 67 0.365 -3.250 19.517 477 HG3 GLU 67 HG3 GLU 67 1.616 -2.801 18.569 478 H PHE 68 H PHE 68 0.773 -3.611 14.799 479 HA PHE 68 HA PHE 68 -1.523 -3.763 13.342 480 HB2 PHE 68 HB2 PHE 68 0.450 -2.599 12.607 481 HB3 PHE 68 HB3 PHE 68 1.183 -4.031 12.330 482 HD1 PHE 68 HD1 PHE 68 -1.881 -2.343 11.293 483 HD2 PHE 68 HD2 PHE 68 1.316 -4.731 10.118 484 HE1 PHE 68 HE1 PHE 68 -2.704 -2.320 9.023 485 HE2 PHE 68 HE2 PHE 68 0.522 -4.681 7.839 486 HZ PHE 68 HZ PHE 68 -1.491 -3.476 7.290 487 H LEU 69 H LEU 69 0.968 -6.170 13.694 488 HA LEU 69 HA LEU 69 -0.207 -7.986 11.983 489 HB2 LEU 69 HB2 LEU 69 1.892 -8.096 13.870 490 HB3 LEU 69 HB3 LEU 69 1.192 -9.545 13.596 491 HG LEU 69 HG LEU 69 3.150 -9.337 12.356 492 HD11 LEU 69 HD11 LEU 69 2.289 -9.914 10.161 493 HD12 LEU 69 HD12 LEU 69 0.836 -9.351 10.591 494 HD13 LEU 69 HD13 LEU 69 1.441 -10.664 11.315 495 HD21 LEU 69 HD21 LEU 69 3.403 -7.737 10.591 496 HD22 LEU 69 HD22 LEU 69 3.291 -7.002 12.027 497 HD23 LEU 69 HD23 LEU 69 2.015 -7.037 11.033 498 H THR 70 H THR 70 -0.482 -7.550 15.413 499 HA THR 70 HA THR 70 -1.864 -9.866 15.907 500 HB THR 70 HB THR 70 -1.959 -7.409 17.507 501 HG1 THR 70 HG1 THR 70 0.056 -7.876 17.752 502 HG21 THR 70 HG21 THR 70 -2.573 -8.792 19.366 503 HG22 THR 70 HG22 THR 70 -2.567 -10.101 18.418 504 HG23 THR 70 HG23 THR 70 -3.692 -8.958 18.210 505 H MET 71 H MET 71 -3.147 -6.631 15.393 506 HA MET 71 HA MET 71 -5.779 -7.409 15.659 507 HB2 MET 71 HB2 MET 71 -4.552 -5.073 14.597 508 HB3 MET 71 HB3 MET 71 -6.122 -5.300 14.209 509 HG2 MET 71 HG2 MET 71 -6.321 -4.057 15.982 510 HG3 MET 71 HG3 MET 71 -6.468 -5.555 16.613 511 HE1 MET 71 HE1 MET 71 -3.358 -2.475 17.514 512 HE2 MET 71 HE2 MET 71 -4.924 -2.258 17.174 513 HE3 MET 71 HE3 MET 71 -3.894 -2.684 16.002 514 H MET 72 H MET 72 -3.698 -7.315 12.887 515 HA MET 72 HA MET 72 -5.642 -7.803 10.997 516 HB2 MET 72 HB2 MET 72 -3.363 -7.126 10.480 517 HB3 MET 72 HB3 MET 72 -2.878 -8.651 10.803 518 HG2 MET 72 HG2 MET 72 -2.987 -8.421 8.560 519 HG3 MET 72 HG3 MET 72 -4.177 -9.432 9.037 520 HE1 MET 72 HE1 MET 72 -4.668 -5.205 7.468 521 HE2 MET 72 HE2 MET 72 -3.346 -6.122 7.305 522 HE3 MET 72 HE3 MET 72 -3.751 -5.537 8.757 523 H ALA 73 H ALA 73 -3.653 -10.004 12.816 524 HA ALA 73 HA ALA 73 -4.560 -12.317 11.611 525 HB1 ALA 73 HB1 ALA 73 -2.543 -12.279 12.960 526 HB2 ALA 73 HB2 ALA 73 -3.515 -13.454 13.495 527 HB3 ALA 73 HB3 ALA 73 -3.430 -12.050 14.292 528 H ARG 74 H ARG 74 -5.821 -10.484 14.226 529 HA ARG 74 HA ARG 74 -7.582 -12.354 15.211 530 HB2 ARG 74 HB2 ARG 74 -6.949 -9.835 15.851 531 HB3 ARG 74 HB3 ARG 74 -8.517 -9.691 15.414 532 HG2 ARG 74 HG2 ARG 74 -7.575 -11.387 17.545 533 HG3 ARG 74 HG3 ARG 74 -8.313 -9.947 17.766 534 HD2 ARG 74 HD2 ARG 74 -10.272 -10.864 16.681 535 HD3 ARG 74 HD3 ARG 74 -9.530 -12.319 16.677 536 HE ARG 74 HE ARG 74 -9.670 -11.285 19.277 537 HH11 ARG 74 HH11 ARG 74 -11.565 -13.014 16.865 538 HH12 ARG 74 HH12 ARG 74 -12.626 -13.692 18.054 539 HH21 ARG 74 HH21 ARG 74 -11.071 -12.185 20.740 540 HH22 ARG 74 HH22 ARG 74 -12.349 -13.228 20.214 541 H LYS 75 H LYS 75 -7.788 -10.496 12.401 542 HA LYS 75 HA LYS 75 -10.575 -10.614 12.202 543 HB2 LYS 75 HB2 LYS 75 -8.921 -8.995 11.129 544 HB3 LYS 75 HB3 LYS 75 -8.950 -10.068 9.898 545 HG2 LYS 75 HG2 LYS 75 -11.177 -9.682 9.504 546 HG3 LYS 75 HG3 LYS 75 -11.348 -8.864 10.906 547 HD2 LYS 75 HD2 LYS 75 -9.891 -7.199 10.060 548 HD3 LYS 75 HD3 LYS 75 -9.861 -7.994 8.634 549 HE2 LYS 75 HE2 LYS 75 -12.235 -6.864 9.827 550 HE3 LYS 75 HE3 LYS 75 -11.445 -6.215 8.553 551 HZ1 LYS 75 HZ1 LYS 75 -13.356 -7.404 7.809 552 HZ2 LYS 75 HZ2 LYS 75 -12.801 -8.755 8.502 553 HZ3 LYS 75 HZ3 LYS 75 -12.018 -8.113 7.241 554 H MET 76 H MET 76 -8.397 -12.991 11.682 555 HA MET 76 HA MET 76 -9.608 -14.144 9.433 556 HB2 MET 76 HB2 MET 76 -7.288 -14.544 10.023 557 HB3 MET 76 HB3 MET 76 -7.787 -15.398 11.323 558 HG2 MET 76 HG2 MET 76 -7.090 -16.825 9.680 559 HG3 MET 76 HG3 MET 76 -8.687 -17.015 9.965 560 HE1 MET 76 HE1 MET 76 -6.853 -15.120 6.241 561 HE2 MET 76 HE2 MET 76 -6.022 -15.960 7.347 562 HE3 MET 76 HE3 MET 76 -6.620 -14.503 7.718 563 H LYS 77 H LYS 77 -11.301 -15.505 9.193 564 HA LYS 77 HA LYS 77 -12.040 -17.265 11.320 565 HB2 LYS 77 HB2 LYS 77 -13.269 -15.259 11.847 566 HB3 LYS 77 HB3 LYS 77 -13.996 -15.353 10.389 567 HG2 LYS 77 HG2 LYS 77 -15.139 -17.283 11.016 568 HG3 LYS 77 HG3 LYS 77 -14.295 -17.381 12.411 569 HD2 LYS 77 HD2 LYS 77 -16.357 -16.537 13.009 570 HD3 LYS 77 HD3 LYS 77 -15.341 -15.258 13.057 571 HE2 LYS 77 HE2 LYS 77 -16.133 -14.554 10.917 572 HE3 LYS 77 HE3 LYS 77 -17.151 -15.829 10.875 573 HZ1 LYS 77 HZ1 LYS 77 -18.326 -13.870 11.547 574 HZ2 LYS 77 HZ2 LYS 77 -17.318 -13.680 12.796 575 HZ3 LYS 77 HZ3 LYS 77 -18.326 -14.943 12.755 576 H ASP 78 H ASP 78 -12.724 -19.219 10.424 577 HA ASP 78 HA ASP 78 -13.285 -19.128 7.609 578 HB2 ASP 78 HB2 ASP 78 -12.498 -21.363 7.433 579 HB3 ASP 78 HB3 ASP 78 -11.374 -20.480 8.224 580 H THR 79 H THR 79 -14.957 -19.069 10.176 581 HA THR 79 HA THR 79 -17.076 -19.273 10.506 582 HB THR 79 HB THR 79 -17.672 -20.898 8.138 583 HG1 THR 79 HG1 THR 79 -17.058 -19.347 6.938 584 HG21 THR 79 HG21 THR 79 -19.794 -19.815 8.200 585 HG22 THR 79 HG22 THR 79 -19.332 -18.933 9.473 586 HG23 THR 79 HG23 THR 79 -19.542 -20.529 9.629 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 -5.201 -21.321 19.191 2 H2 ALA 1 H2 ALA 1 -3.913 -20.449 18.746 3 H3 ALA 1 H3 ALA 1 -3.952 -22.040 18.458 4 HA ALA 1 HA ALA 1 -5.693 -21.751 16.924 5 HB1 ALA 1 HB1 ALA 1 -6.742 -19.792 17.919 6 HB2 ALA 1 HB2 ALA 1 -6.476 -19.517 16.347 7 HB3 ALA 1 HB3 ALA 1 -5.488 -18.881 17.458 8 H ASP 2 H ASP 2 -5.431 -20.481 14.662 9 HA ASP 2 HA ASP 2 -2.836 -21.047 13.792 10 HB2 ASP 2 HB2 ASP 2 -4.855 -19.478 12.443 11 HB3 ASP 2 HB3 ASP 2 -3.539 -20.116 11.715 12 H GLN 3 H GLN 3 -1.204 -19.525 12.974 13 HA GLN 3 HA GLN 3 -1.366 -16.882 14.191 14 HB2 GLN 3 HB2 GLN 3 0.036 -18.480 15.430 15 HB3 GLN 3 HB3 GLN 3 1.064 -18.408 14.163 16 HG2 GLN 3 HG2 GLN 3 1.597 -16.222 14.604 17 HG3 GLN 3 HG3 GLN 3 0.353 -16.061 15.649 18 HE21 GLN 3 HE21 GLN 3 1.224 -15.579 17.578 19 HE22 GLN 3 HE22 GLN 3 2.444 -16.548 18.334 20 H LEU 4 H LEU 4 -2.267 -17.103 11.805 21 HA LEU 4 HA LEU 4 -2.047 -16.563 9.658 22 HB2 LEU 4 HB2 LEU 4 0.397 -15.215 10.316 23 HB3 LEU 4 HB3 LEU 4 -0.465 -14.982 8.948 24 HG LEU 4 HG LEU 4 -1.417 -14.247 11.559 25 HD11 LEU 4 HD11 LEU 4 -0.899 -11.973 10.915 26 HD12 LEU 4 HD12 LEU 4 -0.265 -12.513 9.529 27 HD13 LEU 4 HD13 LEU 4 0.450 -12.863 10.936 28 HD21 LEU 4 HD21 LEU 4 -3.124 -13.020 10.412 29 HD22 LEU 4 HD22 LEU 4 -3.227 -14.593 10.047 30 HD23 LEU 4 HD23 LEU 4 -2.566 -13.561 8.993 31 H THR 5 H THR 5 -0.079 -16.560 7.728 32 HA THR 5 HA THR 5 1.248 -19.083 8.117 33 HB THR 5 HB THR 5 0.892 -19.576 5.732 34 HG1 THR 5 HG1 THR 5 -0.492 -17.236 5.940 35 HG21 THR 5 HG21 THR 5 -1.398 -20.271 5.986 36 HG22 THR 5 HG22 THR 5 -1.568 -19.294 7.262 37 HG23 THR 5 HG23 THR 5 -0.607 -20.590 7.360 38 H GLU 6 H GLU 6 3.319 -19.370 7.131 39 HA GLU 6 HA GLU 6 4.801 -17.121 7.312 40 HB2 GLU 6 HB2 GLU 6 5.547 -19.572 5.899 41 HB3 GLU 6 HB3 GLU 6 6.644 -18.500 6.461 42 HG2 GLU 6 HG2 GLU 6 4.960 -20.148 8.103 43 HG3 GLU 6 HG3 GLU 6 6.558 -20.381 7.864 44 H GLU 7 H GLU 7 3.667 -18.566 4.376 45 HA GLU 7 HA GLU 7 5.245 -16.935 2.779 46 HB2 GLU 7 HB2 GLU 7 4.200 -17.882 0.932 47 HB3 GLU 7 HB3 GLU 7 4.345 -19.068 2.046 48 HG2 GLU 7 HG2 GLU 7 1.883 -17.669 1.548 49 HG3 GLU 7 HG3 GLU 7 2.250 -19.113 0.878 50 H GLN 8 H GLN 8 2.216 -16.411 4.219 51 HA GLN 8 HA GLN 8 1.607 -14.210 2.539 52 HB2 GLN 8 HB2 GLN 8 0.280 -15.096 4.945 53 HB3 GLN 8 HB3 GLN 8 -0.279 -13.874 4.018 54 HG2 GLN 8 HG2 GLN 8 -0.062 -16.611 3.147 55 HG3 GLN 8 HG3 GLN 8 -1.461 -15.881 3.565 56 HE21 GLN 8 HE21 GLN 8 0.259 -16.877 1.045 57 HE22 GLN 8 HE22 GLN 8 -0.333 -15.790 -0.166 58 H ILE 9 H ILE 9 2.960 -14.739 5.669 59 HA ILE 9 HA ILE 9 2.982 -12.133 6.562 60 HB ILE 9 HB ILE 9 4.784 -14.316 7.247 61 HG12 ILE 9 HG12 ILE 9 2.783 -13.164 8.974 62 HG13 ILE 9 HG13 ILE 9 2.397 -14.362 7.934 63 HG21 ILE 9 HG21 ILE 9 5.599 -13.024 9.139 64 HG22 ILE 9 HG22 ILE 9 4.736 -11.748 8.644 65 HG23 ILE 9 HG23 ILE 9 5.984 -12.273 7.759 66 HD11 ILE 9 HD11 ILE 9 2.782 -15.275 10.128 67 HD12 ILE 9 HD12 ILE 9 4.278 -14.662 10.135 68 HD13 ILE 9 HD13 ILE 9 3.896 -15.849 9.106 69 H ALA 10 H ALA 10 5.079 -13.824 4.401 70 HA ALA 10 HA ALA 10 7.116 -12.005 4.301 71 HB1 ALA 10 HB1 ALA 10 7.271 -14.192 3.256 72 HB2 ALA 10 HB2 ALA 10 7.699 -13.061 2.183 73 HB3 ALA 10 HB3 ALA 10 6.228 -13.725 2.112 74 H GLU 11 H GLU 11 4.212 -12.089 2.367 75 HA GLU 11 HA GLU 11 4.874 -9.809 0.863 76 HB2 GLU 11 HB2 GLU 11 3.353 -11.512 0.075 77 HB3 GLU 11 HB3 GLU 11 2.270 -11.034 1.200 78 HG2 GLU 11 HG2 GLU 11 1.971 -8.996 0.101 79 HG3 GLU 11 HG3 GLU 11 3.139 -9.375 -0.976 80 H PHE 12 H PHE 12 2.897 -10.397 3.615 81 HA PHE 12 HA PHE 12 1.743 -7.938 3.955 82 HB2 PHE 12 HB2 PHE 12 1.276 -10.004 5.206 83 HB3 PHE 12 HB3 PHE 12 2.626 -9.715 6.080 84 HD1 PHE 12 HD1 PHE 12 -0.682 -8.459 5.411 85 HD2 PHE 12 HD2 PHE 12 2.591 -8.271 7.973 86 HE1 PHE 12 HE1 PHE 12 -2.008 -7.231 7.005 87 HE2 PHE 12 HE2 PHE 12 1.271 -7.041 9.574 88 HZ PHE 12 HZ PHE 12 -1.038 -6.550 9.104 89 H LYS 13 H LYS 13 4.823 -9.060 5.021 90 HA LYS 13 HA LYS 13 5.530 -6.808 6.446 91 HB2 LYS 13 HB2 LYS 13 6.663 -8.946 6.610 92 HB3 LYS 13 HB3 LYS 13 7.292 -8.705 5.122 93 HG2 LYS 13 HG2 LYS 13 8.476 -6.785 6.051 94 HG3 LYS 13 HG3 LYS 13 8.004 -7.301 7.527 95 HD2 LYS 13 HD2 LYS 13 9.604 -8.878 5.723 96 HD3 LYS 13 HD3 LYS 13 10.222 -8.034 6.978 97 HE2 LYS 13 HE2 LYS 13 8.931 -9.392 8.485 98 HE3 LYS 13 HE3 LYS 13 8.410 -10.271 7.211 99 HZ1 LYS 13 HZ1 LYS 13 10.214 -11.371 8.281 100 HZ2 LYS 13 HZ2 LYS 13 11.158 -10.080 8.040 101 HZ3 LYS 13 HZ3 LYS 13 10.642 -10.951 6.779 102 H GLU 14 H GLU 14 6.050 -7.608 3.105 103 HA GLU 14 HA GLU 14 7.814 -5.549 2.575 104 HB2 GLU 14 HB2 GLU 14 7.318 -7.483 1.129 105 HB3 GLU 14 HB3 GLU 14 6.032 -6.633 0.589 106 HG2 GLU 14 HG2 GLU 14 8.632 -5.465 0.354 107 HG3 GLU 14 HG3 GLU 14 8.188 -6.598 -0.736 108 H ALA 15 H ALA 15 4.348 -5.691 2.236 109 HA ALA 15 HA ALA 15 4.081 -3.158 1.219 110 HB1 ALA 15 HB1 ALA 15 2.271 -4.766 1.138 111 HB2 ALA 15 HB2 ALA 15 1.726 -3.384 1.778 112 HB3 ALA 15 HB3 ALA 15 2.078 -4.636 2.738 113 H PHE 16 H PHE 16 4.016 -4.228 4.541 114 HA PHE 16 HA PHE 16 3.292 -1.788 5.609 115 HB2 PHE 16 HB2 PHE 16 3.271 -3.921 6.809 116 HB3 PHE 16 HB3 PHE 16 4.884 -3.756 7.008 117 HD1 PHE 16 HD1 PHE 16 5.797 -2.243 8.689 118 HD2 PHE 16 HD2 PHE 16 1.697 -2.469 8.028 119 HE1 PHE 16 HE1 PHE 16 5.400 -0.975 10.708 120 HE2 PHE 16 HE2 PHE 16 1.298 -1.235 10.064 121 HZ PHE 16 HZ PHE 16 3.150 -0.491 11.404 122 H SER 17 H SER 17 6.364 -3.126 4.867 123 HA SER 17 HA SER 17 7.956 -1.283 6.086 124 HB2 SER 17 HB2 SER 17 8.693 -3.445 5.093 125 HB3 SER 17 HB3 SER 17 8.735 -2.683 3.649 126 HG SER 17 HG SER 17 10.730 -2.868 4.897 127 H LEU 18 H LEU 18 6.135 -0.828 3.315 128 HA LEU 18 HA LEU 18 7.732 1.314 2.383 129 HB2 LEU 18 HB2 LEU 18 5.155 0.382 1.435 130 HB3 LEU 18 HB3 LEU 18 6.023 1.532 0.667 131 HG LEU 18 HG LEU 18 6.918 -1.186 0.965 132 HD11 LEU 18 HD11 LEU 18 6.337 -1.483 -1.355 133 HD12 LEU 18 HD12 LEU 18 5.719 0.011 -1.388 134 HD13 LEU 18 HD13 LEU 18 5.017 -1.133 -0.488 135 HD21 LEU 18 HD21 LEU 18 8.597 -0.630 -0.673 136 HD22 LEU 18 HD22 LEU 18 8.760 0.313 0.631 137 HD23 LEU 18 HD23 LEU 18 8.063 0.895 -0.707 138 H PHE 19 H PHE 19 5.238 0.977 4.583 139 HA PHE 19 HA PHE 19 4.546 3.749 4.360 140 HB2 PHE 19 HB2 PHE 19 3.023 1.624 5.628 141 HB3 PHE 19 HB3 PHE 19 2.508 3.173 5.572 142 HD1 PHE 19 HD1 PHE 19 2.205 4.201 3.194 143 HD2 PHE 19 HD2 PHE 19 2.321 0.122 3.978 144 HE1 PHE 19 HE1 PHE 19 1.166 3.767 1.058 145 HE2 PHE 19 HE2 PHE 19 1.294 -0.329 1.844 146 HZ PHE 19 HZ PHE 19 0.701 1.495 0.383 147 H ASP 20 H ASP 20 5.769 1.495 6.615 148 HA ASP 20 HA ASP 20 5.769 3.297 8.801 149 HB2 ASP 20 HB2 ASP 20 6.851 1.590 10.001 150 HB3 ASP 20 HB3 ASP 20 5.686 0.891 9.095 151 H LYS 21 H LYS 21 7.060 3.965 6.315 152 HA LYS 21 HA LYS 21 9.805 3.969 6.642 153 HB2 LYS 21 HB2 LYS 21 8.227 4.217 4.590 154 HB3 LYS 21 HB3 LYS 21 8.500 5.807 4.846 155 HG2 LYS 21 HG2 LYS 21 10.790 5.489 4.469 156 HG3 LYS 21 HG3 LYS 21 10.543 3.890 4.253 157 HD2 LYS 21 HD2 LYS 21 9.189 4.348 2.380 158 HD3 LYS 21 HD3 LYS 21 9.425 5.949 2.598 159 HE2 LYS 21 HE2 LYS 21 11.747 5.655 2.201 160 HE3 LYS 21 HE3 LYS 21 11.498 4.059 1.960 161 HZ1 LYS 21 HZ1 LYS 21 11.601 5.192 -0.119 162 HZ2 LYS 21 HZ2 LYS 21 10.372 6.143 0.331 163 HZ3 LYS 21 HZ3 LYS 21 10.127 4.563 0.092 164 H ASP 22 H ASP 22 7.916 5.651 8.477 165 HA ASP 22 HA ASP 22 9.047 8.198 8.309 166 HB2 ASP 22 HB2 ASP 22 7.807 8.752 10.162 167 HB3 ASP 22 HB3 ASP 22 6.895 7.649 9.376 168 H GLY 23 H GLY 23 9.974 5.282 9.716 169 HA2 GLY 23 HA2 GLY 23 12.270 4.991 10.201 170 HA3 GLY 23 HA3 GLY 23 12.352 6.514 10.783 171 H ASP 24 H ASP 24 9.633 5.717 12.100 172 HA ASP 24 HA ASP 24 10.862 4.816 14.528 173 HB2 ASP 24 HB2 ASP 24 9.141 6.653 14.339 174 HB3 ASP 24 HB3 ASP 24 8.062 5.427 14.326 175 H GLY 25 H GLY 25 8.933 3.681 11.981 176 HA2 GLY 25 HA2 GLY 25 8.570 1.425 11.575 177 HA3 GLY 25 HA3 GLY 25 8.904 1.054 13.130 178 H THR 26 H THR 26 6.770 3.585 12.409 179 HA THR 26 HA THR 26 4.509 1.968 13.178 180 HB THR 26 HB THR 26 5.260 3.456 15.019 181 HG1 THR 26 HG1 THR 26 3.355 3.487 15.735 182 HG21 THR 26 HG21 THR 26 4.799 5.796 14.830 183 HG22 THR 26 HG22 THR 26 4.314 5.593 13.301 184 HG23 THR 26 HG23 THR 26 5.869 5.378 13.691 185 H ILE 27 H ILE 27 2.357 2.857 12.518 186 HA ILE 27 HA ILE 27 2.656 4.603 10.262 187 HB ILE 27 HB ILE 27 0.999 3.413 8.958 188 HG12 ILE 27 HG12 ILE 27 0.943 1.344 10.937 189 HG13 ILE 27 HG13 ILE 27 -0.180 2.530 10.902 190 HG21 ILE 27 HG21 ILE 27 2.316 1.483 8.411 191 HG22 ILE 27 HG22 ILE 27 3.166 1.667 9.775 192 HG23 ILE 27 HG23 ILE 27 3.276 2.771 8.598 193 HD11 ILE 27 HD11 ILE 27 -1.036 0.563 9.804 194 HD12 ILE 27 HD12 ILE 27 0.201 0.590 8.763 195 HD13 ILE 27 HD13 ILE 27 -0.910 1.765 8.730 196 H THR 28 H THR 28 0.671 5.909 9.700 197 HA THR 28 HA THR 28 -0.389 6.852 12.108 198 HB THR 28 HB THR 28 -1.712 8.373 10.624 199 HG1 THR 28 HG1 THR 28 -1.099 8.282 8.409 200 HG21 THR 28 HG21 THR 28 0.204 9.586 9.817 201 HG22 THR 28 HG22 THR 28 1.138 8.284 10.032 202 HG23 THR 28 HG23 THR 28 0.525 9.059 11.312 203 H THR 29 H THR 29 -2.401 6.573 13.076 204 HA THR 29 HA THR 29 -3.702 4.259 12.232 205 HB THR 29 HB THR 29 -3.517 4.988 14.626 206 HG1 THR 29 HG1 THR 29 -6.133 4.446 14.318 207 HG21 THR 29 HG21 THR 29 -5.229 6.419 15.491 208 HG22 THR 29 HG22 THR 29 -5.828 6.632 14.004 209 HG23 THR 29 HG23 THR 29 -4.379 7.239 14.386 210 H LYS 30 H LYS 30 -4.256 7.509 11.572 211 HA LYS 30 HA LYS 30 -6.958 7.197 11.019 212 HB2 LYS 30 HB2 LYS 30 -5.127 9.344 10.327 213 HB3 LYS 30 HB3 LYS 30 -6.717 9.455 9.977 214 HG2 LYS 30 HG2 LYS 30 -5.670 9.282 12.661 215 HG3 LYS 30 HG3 LYS 30 -6.148 10.677 11.960 216 HD2 LYS 30 HD2 LYS 30 -7.941 8.478 12.533 217 HD3 LYS 30 HD3 LYS 30 -7.820 9.815 13.464 218 HE2 LYS 30 HE2 LYS 30 -8.600 11.139 11.614 219 HE3 LYS 30 HE3 LYS 30 -8.788 9.772 10.741 220 HZ1 LYS 30 HZ1 LYS 30 -10.871 10.454 11.652 221 HZ2 LYS 30 HZ2 LYS 30 -10.254 10.381 13.146 222 HZ3 LYS 30 HZ3 LYS 30 -10.442 9.027 12.281 223 H GLU 31 H GLU 31 -4.296 6.457 9.152 224 HA GLU 31 HA GLU 31 -5.989 6.218 6.840 225 HB2 GLU 31 HB2 GLU 31 -4.271 8.141 6.922 226 HB3 GLU 31 HB3 GLU 31 -3.263 6.970 6.390 227 HG2 GLU 31 HG2 GLU 31 -3.977 8.067 4.525 228 HG3 GLU 31 HG3 GLU 31 -4.784 6.648 4.537 229 H LEU 32 H LEU 32 -5.122 4.258 8.783 230 HA LEU 32 HA LEU 32 -3.106 2.706 7.777 231 HB2 LEU 32 HB2 LEU 32 -3.755 1.062 9.278 232 HB3 LEU 32 HB3 LEU 32 -4.124 2.486 9.987 233 HG LEU 32 HG LEU 32 -6.425 1.938 9.029 234 HD11 LEU 32 HD11 LEU 32 -6.906 -0.426 9.248 235 HD12 LEU 32 HD12 LEU 32 -5.341 -0.716 9.534 236 HD13 LEU 32 HD13 LEU 32 -5.812 -0.190 8.080 237 HD21 LEU 32 HD21 LEU 32 -7.034 1.082 11.190 238 HD22 LEU 32 HD22 LEU 32 -6.043 2.350 11.345 239 HD23 LEU 32 HD23 LEU 32 -5.471 0.849 11.534 240 H GLY 33 H GLY 33 -6.246 3.004 6.614 241 HA2 GLY 33 HA2 GLY 33 -6.578 0.587 5.345 242 HA3 GLY 33 HA3 GLY 33 -7.279 1.992 4.894 243 H THR 34 H THR 34 -4.500 3.133 4.529 244 HA THR 34 HA THR 34 -4.298 2.734 1.841 245 HB THR 34 HB THR 34 -2.066 3.595 3.534 246 HG1 THR 34 HG1 THR 34 -2.871 5.631 3.467 247 HG21 THR 34 HG21 THR 34 -1.365 4.886 1.640 248 HG22 THR 34 HG22 THR 34 -2.633 4.357 0.787 249 HG23 THR 34 HG23 THR 34 -1.451 3.333 1.198 250 H VAL 35 H VAL 35 -2.810 0.995 4.423 251 HA VAL 35 HA VAL 35 -0.916 -0.349 2.949 252 HB VAL 35 HB VAL 35 -2.215 -1.374 5.361 253 HG11 VAL 35 HG11 VAL 35 -0.246 -2.722 5.675 254 HG12 VAL 35 HG12 VAL 35 0.363 -2.171 4.282 255 HG13 VAL 35 HG13 VAL 35 -0.955 -3.108 4.274 256 HG21 VAL 35 HG21 VAL 35 -0.405 -0.377 6.595 257 HG22 VAL 35 HG22 VAL 35 -1.221 0.769 5.797 258 HG23 VAL 35 HG23 VAL 35 0.197 0.240 5.227 259 H MET 36 H MET 36 -4.206 -1.189 3.725 260 HA MET 36 HA MET 36 -4.233 -3.586 2.337 261 HB2 MET 36 HB2 MET 36 -6.214 -1.943 3.516 262 HB3 MET 36 HB3 MET 36 -6.777 -2.912 2.329 263 HG2 MET 36 HG2 MET 36 -7.094 -3.910 4.355 264 HG3 MET 36 HG3 MET 36 -6.047 -4.773 3.447 265 HE1 MET 36 HE1 MET 36 -5.069 -2.466 7.211 266 HE2 MET 36 HE2 MET 36 -6.549 -2.925 6.747 267 HE3 MET 36 HE3 MET 36 -5.775 -1.755 5.942 268 H ARG 37 H ARG 37 -4.890 -0.341 1.400 269 HA ARG 37 HA ARG 37 -6.078 -0.843 -1.019 270 HB2 ARG 37 HB2 ARG 37 -5.872 1.346 0.135 271 HB3 ARG 37 HB3 ARG 37 -4.413 1.476 -0.587 272 HG2 ARG 37 HG2 ARG 37 -5.557 1.294 -2.717 273 HG3 ARG 37 HG3 ARG 37 -6.964 1.426 -1.899 274 HD2 ARG 37 HD2 ARG 37 -6.189 3.570 -1.068 275 HD3 ARG 37 HD3 ARG 37 -4.917 3.445 -2.084 276 HE ARG 37 HE ARG 37 -7.583 4.129 -2.778 277 HH11 ARG 37 HH11 ARG 37 -4.519 2.986 -4.108 278 HH12 ARG 37 HH12 ARG 37 -4.936 3.497 -5.710 279 HH21 ARG 37 HH21 ARG 37 -8.034 4.735 -4.844 280 HH22 ARG 37 HH22 ARG 37 -6.889 4.469 -6.118 281 H SER 38 H SER 38 -2.748 -0.789 -0.172 282 HA SER 38 HA SER 38 -1.687 -0.739 -2.705 283 HB2 SER 38 HB2 SER 38 -0.365 -0.520 -0.645 284 HB3 SER 38 HB3 SER 38 -0.472 -2.138 -0.457 285 HG SER 38 HG SER 38 0.419 -1.496 -2.864 286 H LEU 39 H LEU 39 -2.969 -3.336 -0.866 287 HA LEU 39 HA LEU 39 -2.203 -5.311 -2.761 288 HB2 LEU 39 HB2 LEU 39 -3.463 -5.403 -0.195 289 HB3 LEU 39 HB3 LEU 39 -3.657 -6.702 -1.165 290 HG LEU 39 HG LEU 39 -1.265 -6.961 -1.179 291 HD11 LEU 39 HD11 LEU 39 0.071 -5.894 0.488 292 HD12 LEU 39 HD12 LEU 39 -1.193 -4.982 0.920 293 HD13 LEU 39 HD13 LEU 39 -0.530 -4.802 -0.543 294 HD21 LEU 39 HD21 LEU 39 -1.202 -7.959 1.048 295 HD22 LEU 39 HD22 LEU 39 -2.610 -8.298 0.328 296 HD23 LEU 39 HD23 LEU 39 -2.533 -7.132 1.445 297 H GLY 40 H GLY 40 -4.445 -3.074 -2.879 298 HA2 GLY 40 HA2 GLY 40 -6.184 -2.926 -4.342 299 HA3 GLY 40 HA3 GLY 40 -6.071 -4.517 -4.690 300 H GLN 41 H GLN 41 -6.250 -3.945 -1.423 301 HA GLN 41 HA GLN 41 -8.978 -4.840 -1.386 302 HB2 GLN 41 HB2 GLN 41 -7.326 -6.140 -0.183 303 HB3 GLN 41 HB3 GLN 41 -7.063 -4.856 0.791 304 HG2 GLN 41 HG2 GLN 41 -8.422 -6.491 1.860 305 HG3 GLN 41 HG3 GLN 41 -9.216 -5.072 1.708 306 HE21 GLN 41 HE21 GLN 41 -9.063 -8.329 0.739 307 HE22 GLN 41 HE22 GLN 41 -10.566 -8.370 -0.120 308 H ASN 42 H ASN 42 -10.622 -3.895 -0.116 309 HA ASN 42 HA ASN 42 -10.021 -1.198 0.780 310 HB2 ASN 42 HB2 ASN 42 -12.481 -2.108 -0.429 311 HB3 ASN 42 HB3 ASN 42 -12.270 -0.609 0.182 312 HD21 ASN 42 HD21 ASN 42 -11.865 -2.624 -2.463 313 HD22 ASN 42 HD22 ASN 42 -11.100 -1.476 -3.510 314 HA PRO 43 HA PRO 43 -11.459 -3.413 4.341 315 HB2 PRO 43 HB2 PRO 43 -10.607 -1.840 6.316 316 HB3 PRO 43 HB3 PRO 43 -9.506 -2.739 5.510 317 HG2 PRO 43 HG2 PRO 43 -10.191 -0.009 5.063 318 HG3 PRO 43 HG3 PRO 43 -8.698 -0.652 5.223 319 HD2 PRO 43 HD2 PRO 43 -9.666 -0.205 2.843 320 HD3 PRO 43 HD3 PRO 43 -8.714 -1.507 3.097 321 H THR 44 H THR 44 -13.094 -3.389 5.880 322 HA THR 44 HA THR 44 -15.159 -1.662 5.144 323 HB THR 44 HB THR 44 -15.510 -3.075 7.585 324 HG1 THR 44 HG1 THR 44 -15.543 -5.012 5.941 325 HG21 THR 44 HG21 THR 44 -17.452 -3.929 6.475 326 HG22 THR 44 HG22 THR 44 -16.950 -3.299 5.073 327 HG23 THR 44 HG23 THR 44 -17.409 -2.324 6.279 328 H GLU 45 H GLU 45 -15.946 0.187 6.065 329 HA GLU 45 HA GLU 45 -14.269 1.661 7.643 330 HB2 GLU 45 HB2 GLU 45 -16.047 2.547 6.228 331 HB3 GLU 45 HB3 GLU 45 -17.138 2.033 7.329 332 HG2 GLU 45 HG2 GLU 45 -16.321 3.589 8.882 333 HG3 GLU 45 HG3 GLU 45 -15.197 4.087 7.807 334 H ALA 46 H ALA 46 -16.971 -0.270 8.587 335 HA ALA 46 HA ALA 46 -17.066 0.609 11.202 336 HB1 ALA 46 HB1 ALA 46 -18.906 -0.620 10.187 337 HB2 ALA 46 HB2 ALA 46 -18.493 -1.339 11.575 338 HB3 ALA 46 HB3 ALA 46 -18.004 -1.962 10.165 339 H GLU 47 H GLU 47 -15.274 -1.942 9.734 340 HA GLU 47 HA GLU 47 -14.477 -3.154 12.089 341 HB2 GLU 47 HB2 GLU 47 -13.287 -3.257 9.451 342 HB3 GLU 47 HB3 GLU 47 -12.761 -4.211 10.668 343 HG2 GLU 47 HG2 GLU 47 -14.803 -5.327 10.738 344 HG3 GLU 47 HG3 GLU 47 -15.438 -4.303 9.636 345 H LEU 48 H LEU 48 -13.209 -0.476 10.359 346 HA LEU 48 HA LEU 48 -10.691 -0.449 11.395 347 HB2 LEU 48 HB2 LEU 48 -12.326 1.824 10.673 348 HB3 LEU 48 HB3 LEU 48 -10.732 1.969 10.998 349 HG LEU 48 HG LEU 48 -11.672 0.450 8.765 350 HD11 LEU 48 HD11 LEU 48 -11.239 2.421 7.403 351 HD12 LEU 48 HD12 LEU 48 -10.897 3.264 8.740 352 HD13 LEU 48 HD13 LEU 48 -12.404 2.741 8.477 353 HD21 LEU 48 HD21 LEU 48 -9.454 0.748 7.908 354 HD22 LEU 48 HD22 LEU 48 -9.405 -0.003 9.339 355 HD23 LEU 48 HD23 LEU 48 -9.047 1.570 9.239 356 H GLN 49 H GLN 49 -13.663 0.681 12.785 357 HA GLN 49 HA GLN 49 -12.597 2.107 14.871 358 HB2 GLN 49 HB2 GLN 49 -14.933 2.159 14.339 359 HB3 GLN 49 HB3 GLN 49 -15.090 0.629 14.889 360 HG2 GLN 49 HG2 GLN 49 -14.511 1.431 17.089 361 HG3 GLN 49 HG3 GLN 49 -14.551 2.952 16.496 362 HE21 GLN 49 HE21 GLN 49 -16.364 0.310 17.581 363 HE22 GLN 49 HE22 GLN 49 -17.919 1.069 17.508 364 H ASP 50 H ASP 50 -13.491 -1.252 14.689 365 HA ASP 50 HA ASP 50 -12.786 -1.803 17.326 366 HB2 ASP 50 HB2 ASP 50 -13.246 -3.624 15.117 367 HB3 ASP 50 HB3 ASP 50 -13.052 -4.144 16.653 368 H MET 51 H MET 51 -11.118 -2.001 14.329 369 HA MET 51 HA MET 51 -8.976 -3.472 15.252 370 HB2 MET 51 HB2 MET 51 -9.244 -1.739 12.951 371 HB3 MET 51 HB3 MET 51 -7.824 -2.492 13.237 372 HG2 MET 51 HG2 MET 51 -9.079 -4.544 13.219 373 HG3 MET 51 HG3 MET 51 -10.316 -3.672 12.607 374 HE1 MET 51 HE1 MET 51 -9.383 -2.918 9.043 375 HE2 MET 51 HE2 MET 51 -9.582 -1.967 10.336 376 HE3 MET 51 HE3 MET 51 -10.612 -3.182 10.059 377 H ILE 52 H ILE 52 -9.459 -0.043 15.040 378 HA ILE 52 HA ILE 52 -6.869 0.553 15.845 379 HB ILE 52 HB ILE 52 -9.236 2.288 15.703 380 HG12 ILE 52 HG12 ILE 52 -6.927 2.372 13.983 381 HG13 ILE 52 HG13 ILE 52 -8.232 1.453 13.632 382 HG21 ILE 52 HG21 ILE 52 -7.830 4.225 16.052 383 HG22 ILE 52 HG22 ILE 52 -6.554 3.265 16.306 384 HG23 ILE 52 HG23 ILE 52 -7.781 3.275 17.360 385 HD11 ILE 52 HD11 ILE 52 -8.321 3.505 12.393 386 HD12 ILE 52 HD12 ILE 52 -8.276 4.355 13.768 387 HD13 ILE 52 HD13 ILE 52 -9.567 3.446 13.421 388 H ASN 53 H ASN 53 -9.908 0.523 17.562 389 HA ASN 53 HA ASN 53 -8.930 1.653 19.860 390 HB2 ASN 53 HB2 ASN 53 -11.326 1.225 19.207 391 HB3 ASN 53 HB3 ASN 53 -11.130 -0.240 19.902 392 HD21 ASN 53 HD21 ASN 53 -10.441 -0.283 22.219 393 HD22 ASN 53 HD22 ASN 53 -11.114 0.952 23.230 394 H GLU 54 H GLU 54 -8.755 -1.624 18.874 395 HA GLU 54 HA GLU 54 -8.165 -2.562 21.427 396 HB2 GLU 54 HB2 GLU 54 -8.975 -3.859 19.416 397 HB3 GLU 54 HB3 GLU 54 -7.391 -3.991 19.038 398 HG2 GLU 54 HG2 GLU 54 -7.665 -5.922 20.113 399 HG3 GLU 54 HG3 GLU 54 -7.240 -4.979 21.377 400 H VAL 55 H VAL 55 -6.152 -1.534 18.811 401 HA VAL 55 HA VAL 55 -3.867 -2.450 20.184 402 HB VAL 55 HB VAL 55 -2.570 -1.702 18.226 403 HG11 VAL 55 HG11 VAL 55 -3.493 -3.312 16.652 404 HG12 VAL 55 HG12 VAL 55 -4.860 -3.367 17.514 405 HG13 VAL 55 HG13 VAL 55 -3.484 -3.940 18.142 406 HG21 VAL 55 HG21 VAL 55 -3.690 -0.833 16.293 407 HG22 VAL 55 HG22 VAL 55 -3.858 0.179 17.542 408 HG23 VAL 55 HG23 VAL 55 -5.081 -0.789 17.114 409 H ASP 56 H ASP 56 -5.412 0.538 19.664 410 HA ASP 56 HA ASP 56 -3.194 2.022 20.665 411 HB2 ASP 56 HB2 ASP 56 -4.597 2.880 18.861 412 HB3 ASP 56 HB3 ASP 56 -5.763 3.130 19.977 413 H ALA 57 H ALA 57 -3.478 0.547 22.624 414 HA ALA 57 HA ALA 57 -5.576 0.965 24.310 415 HB1 ALA 57 HB1 ALA 57 -4.047 -0.959 24.476 416 HB2 ALA 57 HB2 ALA 57 -4.220 -0.284 25.935 417 HB3 ALA 57 HB3 ALA 57 -2.896 0.017 25.057 418 H ASP 58 H ASP 58 -2.885 2.966 23.923 419 HA ASP 58 HA ASP 58 -3.438 4.296 26.409 420 HB2 ASP 58 HB2 ASP 58 -1.106 3.654 25.698 421 HB3 ASP 58 HB3 ASP 58 -1.177 4.989 24.759 422 H GLY 59 H GLY 59 -4.182 4.584 23.220 423 HA2 GLY 59 HA2 GLY 59 -5.393 6.208 22.218 424 HA3 GLY 59 HA3 GLY 59 -5.391 7.087 23.594 425 H ASN 60 H ASN 60 -2.568 6.124 21.756 426 HA ASN 60 HA ASN 60 -1.909 8.878 21.653 427 HB2 ASN 60 HB2 ASN 60 0.338 8.320 21.540 428 HB3 ASN 60 HB3 ASN 60 -0.299 7.170 22.511 429 HD21 ASN 60 HD21 ASN 60 2.118 6.826 21.322 430 HD22 ASN 60 HD22 ASN 60 1.989 5.589 20.117 431 H GLY 61 H GLY 61 -3.201 6.781 19.507 432 HA2 GLY 61 HA2 GLY 61 -3.889 7.369 17.433 433 HA3 GLY 61 HA3 GLY 61 -2.950 8.705 17.462 434 H THR 62 H THR 62 -1.318 5.764 17.955 435 HA THR 62 HA THR 62 -0.567 5.690 15.183 436 HB THR 62 HB THR 62 1.732 5.052 16.573 437 HG1 THR 62 HG1 THR 62 1.039 6.045 18.376 438 HG21 THR 62 HG21 THR 62 2.633 7.009 15.513 439 HG22 THR 62 HG22 THR 62 1.141 7.543 15.191 440 HG23 THR 62 HG23 THR 62 1.708 6.228 14.440 441 H ILE 63 H ILE 63 0.575 3.650 14.475 442 HA ILE 63 HA ILE 63 -0.166 1.460 16.162 443 HB ILE 63 HB ILE 63 -0.595 1.388 13.279 444 HG12 ILE 63 HG12 ILE 63 -2.725 1.275 15.198 445 HG13 ILE 63 HG13 ILE 63 -2.226 2.696 14.567 446 HG21 ILE 63 HG21 ILE 63 -1.591 -0.822 13.660 447 HG22 ILE 63 HG22 ILE 63 -1.241 -0.707 15.236 448 HG23 ILE 63 HG23 ILE 63 -0.049 -0.833 14.150 449 HD11 ILE 63 HD11 ILE 63 -4.129 1.900 13.383 450 HD12 ILE 63 HD12 ILE 63 -3.346 0.533 13.016 451 HD13 ILE 63 HD13 ILE 63 -2.853 1.941 12.391 452 H ASP 64 H ASP 64 1.789 0.647 16.792 453 HA ASP 64 HA ASP 64 4.029 0.852 15.139 454 HB2 ASP 64 HB2 ASP 64 3.688 -0.594 17.624 455 HB3 ASP 64 HB3 ASP 64 5.140 -0.436 16.895 456 H PHE 65 H PHE 65 5.411 -0.933 14.329 457 HA PHE 65 HA PHE 65 3.957 -2.593 12.857 458 HB2 PHE 65 HB2 PHE 65 6.022 -3.687 12.210 459 HB3 PHE 65 HB3 PHE 65 6.307 -2.091 12.412 460 HD1 PHE 65 HD1 PHE 65 7.061 -5.343 13.624 461 HD2 PHE 65 HD2 PHE 65 7.627 -1.279 14.331 462 HE1 PHE 65 HE1 PHE 65 8.833 -5.865 15.180 463 HE2 PHE 65 HE2 PHE 65 9.397 -1.787 15.885 464 HZ PHE 65 HZ PHE 65 9.993 -4.083 16.326 465 HA PRO 66 HA PRO 66 4.222 -6.296 15.329 466 HB2 PRO 66 HB2 PRO 66 4.277 -6.313 17.991 467 HB3 PRO 66 HB3 PRO 66 5.698 -6.230 17.189 468 HG2 PRO 66 HG2 PRO 66 4.194 -4.081 18.299 469 HG3 PRO 66 HG3 PRO 66 5.790 -4.383 18.476 470 HD2 PRO 66 HD2 PRO 66 4.978 -2.656 16.708 471 HD3 PRO 66 HD3 PRO 66 6.290 -3.580 16.407 472 H GLU 67 H GLU 67 2.531 -3.605 16.534 473 HA GLU 67 HA GLU 67 0.357 -5.102 17.435 474 HB2 GLU 67 HB2 GLU 67 0.371 -2.284 16.800 475 HB3 GLU 67 HB3 GLU 67 -0.754 -3.027 17.724 476 HG2 GLU 67 HG2 GLU 67 1.992 -2.563 18.453 477 HG3 GLU 67 HG3 GLU 67 0.686 -1.857 19.134 478 H PHE 68 H PHE 68 1.252 -3.751 14.430 479 HA PHE 68 HA PHE 68 -1.247 -3.916 13.228 480 HB2 PHE 68 HB2 PHE 68 0.736 -2.713 12.379 481 HB3 PHE 68 HB3 PHE 68 1.198 -4.144 11.740 482 HD1 PHE 68 HD1 PHE 68 -1.676 -1.909 11.714 483 HD2 PHE 68 HD2 PHE 68 0.582 -4.632 9.535 484 HE1 PHE 68 HE1 PHE 68 -3.029 -1.457 9.771 485 HE2 PHE 68 HE2 PHE 68 -0.754 -4.177 7.573 486 HZ PHE 68 HZ PHE 68 -2.557 -2.578 7.688 487 H LEU 69 H LEU 69 1.237 -6.254 13.768 488 HA LEU 69 HA LEU 69 0.114 -8.247 12.166 489 HB2 LEU 69 HB2 LEU 69 2.099 -8.252 14.187 490 HB3 LEU 69 HB3 LEU 69 1.408 -9.695 13.862 491 HG LEU 69 HG LEU 69 3.458 -9.551 12.808 492 HD11 LEU 69 HD11 LEU 69 2.810 -10.079 10.534 493 HD12 LEU 69 HD12 LEU 69 1.340 -9.470 10.821 494 HD13 LEU 69 HD13 LEU 69 1.826 -10.807 11.589 495 HD21 LEU 69 HD21 LEU 69 3.953 -7.960 11.096 496 HD22 LEU 69 HD22 LEU 69 3.728 -7.230 12.522 497 HD23 LEU 69 HD23 LEU 69 2.559 -7.202 11.404 498 H THR 70 H THR 70 -0.115 -7.402 15.529 499 HA THR 70 HA THR 70 -1.721 -9.443 16.385 500 HB THR 70 HB THR 70 -1.698 -6.724 17.501 501 HG1 THR 70 HG1 THR 70 0.027 -8.837 17.928 502 HG21 THR 70 HG21 THR 70 -2.252 -7.735 19.593 503 HG22 THR 70 HG22 THR 70 -2.269 -9.198 18.904 504 HG23 THR 70 HG23 THR 70 -3.401 -8.111 18.520 505 H MET 71 H MET 71 -2.544 -6.434 14.948 506 HA MET 71 HA MET 71 -5.228 -6.376 15.311 507 HB2 MET 71 HB2 MET 71 -3.904 -4.625 14.283 508 HB3 MET 71 HB3 MET 71 -3.768 -5.539 12.937 509 HG2 MET 71 HG2 MET 71 -6.036 -5.375 12.604 510 HG3 MET 71 HG3 MET 71 -6.161 -4.447 13.942 511 HE1 MET 71 HE1 MET 71 -4.505 -1.138 13.078 512 HE2 MET 71 HE2 MET 71 -3.989 -2.359 14.006 513 HE3 MET 71 HE3 MET 71 -5.532 -1.879 14.085 514 H MET 72 H MET 72 -3.491 -8.180 12.906 515 HA MET 72 HA MET 72 -5.894 -9.088 11.708 516 HB2 MET 72 HB2 MET 72 -3.221 -9.105 11.015 517 HB3 MET 72 HB3 MET 72 -3.832 -10.604 10.800 518 HG2 MET 72 HG2 MET 72 -3.882 -9.256 8.867 519 HG3 MET 72 HG3 MET 72 -5.320 -9.904 9.292 520 HE1 MET 72 HE1 MET 72 -4.236 -5.478 9.735 521 HE2 MET 72 HE2 MET 72 -3.324 -6.550 8.939 522 HE3 MET 72 HE3 MET 72 -3.452 -6.635 10.548 523 H ALA 73 H ALA 73 -3.764 -10.218 14.102 524 HA ALA 73 HA ALA 73 -4.564 -12.880 14.091 525 HB1 ALA 73 HB1 ALA 73 -2.519 -12.187 15.187 526 HB2 ALA 73 HB2 ALA 73 -3.432 -13.005 16.241 527 HB3 ALA 73 HB3 ALA 73 -3.376 -11.391 16.303 528 H ARG 74 H ARG 74 -5.967 -10.087 15.335 529 HA ARG 74 HA ARG 74 -7.600 -10.904 17.325 530 HB2 ARG 74 HB2 ARG 74 -7.323 -8.628 16.449 531 HB3 ARG 74 HB3 ARG 74 -8.232 -9.046 15.158 532 HG2 ARG 74 HG2 ARG 74 -9.692 -7.908 16.325 533 HG3 ARG 74 HG3 ARG 74 -10.000 -9.417 16.867 534 HD2 ARG 74 HD2 ARG 74 -8.707 -9.014 18.797 535 HD3 ARG 74 HD3 ARG 74 -8.315 -7.528 18.244 536 HE ARG 74 HE ARG 74 -10.679 -8.247 19.598 537 HH11 ARG 74 HH11 ARG 74 -9.402 -5.903 17.307 538 HH12 ARG 74 HH12 ARG 74 -10.613 -4.730 17.704 539 HH21 ARG 74 HH21 ARG 74 -12.165 -6.676 20.075 540 HH22 ARG 74 HH22 ARG 74 -12.144 -5.158 19.239 541 H LYS 75 H LYS 75 -8.000 -11.547 14.016 542 HA LYS 75 HA LYS 75 -10.676 -12.221 14.050 543 HB2 LYS 75 HB2 LYS 75 -9.258 -11.786 12.083 544 HB3 LYS 75 HB3 LYS 75 -8.668 -13.300 12.252 545 HG2 LYS 75 HG2 LYS 75 -11.451 -13.192 12.011 546 HG3 LYS 75 HG3 LYS 75 -10.645 -12.703 10.678 547 HD2 LYS 75 HD2 LYS 75 -9.513 -14.724 10.557 548 HD3 LYS 75 HD3 LYS 75 -10.141 -15.204 11.986 549 HE2 LYS 75 HE2 LYS 75 -12.321 -15.179 10.972 550 HE3 LYS 75 HE3 LYS 75 -11.609 -14.855 9.538 551 HZ1 LYS 75 HZ1 LYS 75 -11.998 -17.190 9.748 552 HZ2 LYS 75 HZ2 LYS 75 -11.113 -17.223 11.101 553 HZ3 LYS 75 HZ3 LYS 75 -10.408 -16.902 9.682 554 H MET 76 H MET 76 -8.076 -13.985 15.266 555 HA MET 76 HA MET 76 -9.460 -16.469 15.097 556 HB2 MET 76 HB2 MET 76 -6.893 -15.920 16.308 557 HB3 MET 76 HB3 MET 76 -7.478 -17.418 16.025 558 HG2 MET 76 HG2 MET 76 -6.611 -15.503 14.119 559 HG3 MET 76 HG3 MET 76 -5.938 -16.960 14.425 560 HE1 MET 76 HE1 MET 76 -8.374 -19.498 12.832 561 HE2 MET 76 HE2 MET 76 -8.201 -19.085 14.387 562 HE3 MET 76 HE3 MET 76 -6.896 -19.314 13.460 563 H LYS 77 H LYS 77 -9.706 -17.930 17.064 564 HA LYS 77 HA LYS 77 -11.203 -16.551 18.915 565 HB2 LYS 77 HB2 LYS 77 -11.673 -18.821 18.540 566 HB3 LYS 77 HB3 LYS 77 -10.203 -19.256 19.104 567 HG2 LYS 77 HG2 LYS 77 -11.870 -19.783 20.713 568 HG3 LYS 77 HG3 LYS 77 -10.863 -18.647 21.315 569 HD2 LYS 77 HD2 LYS 77 -12.559 -16.979 20.678 570 HD3 LYS 77 HD3 LYS 77 -13.571 -18.231 20.405 571 HE2 LYS 77 HE2 LYS 77 -13.610 -18.812 22.634 572 HE3 LYS 77 HE3 LYS 77 -12.308 -17.884 22.970 573 HZ1 LYS 77 HZ1 LYS 77 -14.286 -16.840 23.781 574 HZ2 LYS 77 HZ2 LYS 77 -14.913 -16.844 22.290 575 HZ3 LYS 77 HZ3 LYS 77 -13.624 -15.925 22.623 576 H ASP 78 H ASP 78 -10.899 -15.547 20.688 577 HA ASP 78 HA ASP 78 -8.343 -15.076 21.675 578 HB2 ASP 78 HB2 ASP 78 -9.608 -13.603 23.202 579 HB3 ASP 78 HB3 ASP 78 -10.105 -13.391 21.660 580 H THR 79 H THR 79 -8.098 -14.838 24.181 581 HA THR 79 HA THR 79 -8.331 -17.455 25.229 582 HB THR 79 HB THR 79 -7.031 -16.422 27.137 583 HG1 THR 79 HG1 THR 79 -7.147 -14.362 27.171 584 HG21 THR 79 HG21 THR 79 -4.983 -16.273 25.876 585 HG22 THR 79 HG22 THR 79 -5.821 -16.156 24.498 586 HG23 THR 79 HG23 THR 79 -5.825 -17.541 25.331 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 -5.290 -18.226 2.122 2 H2 ALA 1 H2 ALA 1 -4.665 -17.697 3.516 3 H3 ALA 1 H3 ALA 1 -6.231 -18.090 3.429 4 HA ALA 1 HA ALA 1 -5.685 -20.336 3.100 5 HB1 ALA 1 HB1 ALA 1 -3.541 -20.050 1.965 6 HB2 ALA 1 HB2 ALA 1 -3.362 -21.088 3.192 7 HB3 ALA 1 HB3 ALA 1 -2.868 -19.556 3.350 8 H ASP 2 H ASP 2 -5.124 -21.891 4.887 9 HA ASP 2 HA ASP 2 -5.984 -20.776 7.267 10 HB2 ASP 2 HB2 ASP 2 -4.710 -23.361 6.866 11 HB3 ASP 2 HB3 ASP 2 -5.620 -22.988 8.171 12 H GLN 3 H GLN 3 -2.847 -21.348 6.079 13 HA GLN 3 HA GLN 3 -1.733 -20.009 8.370 14 HB2 GLN 3 HB2 GLN 3 -1.412 -22.419 8.631 15 HB3 GLN 3 HB3 GLN 3 -0.464 -22.370 7.302 16 HG2 GLN 3 HG2 GLN 3 1.052 -20.948 8.441 17 HG3 GLN 3 HG3 GLN 3 0.106 -21.006 9.770 18 HE21 GLN 3 HE21 GLN 3 2.922 -21.805 9.216 19 HE22 GLN 3 HE22 GLN 3 3.017 -23.433 9.799 20 H LEU 4 H LEU 4 -0.117 -18.539 7.858 21 HA LEU 4 HA LEU 4 0.196 -17.952 5.141 22 HB2 LEU 4 HB2 LEU 4 1.481 -16.826 7.469 23 HB3 LEU 4 HB3 LEU 4 1.792 -16.265 5.966 24 HG LEU 4 HG LEU 4 -0.529 -15.575 5.870 25 HD11 LEU 4 HD11 LEU 4 -1.721 -15.222 7.915 26 HD12 LEU 4 HD12 LEU 4 -0.564 -16.008 8.726 27 HD13 LEU 4 HD13 LEU 4 -1.484 -16.802 7.660 28 HD21 LEU 4 HD21 LEU 4 -0.061 -13.539 7.161 29 HD22 LEU 4 HD22 LEU 4 1.247 -13.965 6.310 30 HD23 LEU 4 HD23 LEU 4 1.166 -14.299 7.891 31 H THR 5 H THR 5 2.138 -18.075 3.844 32 HA THR 5 HA THR 5 4.085 -19.959 4.849 33 HB THR 5 HB THR 5 4.747 -20.166 2.475 34 HG1 THR 5 HG1 THR 5 2.670 -19.358 1.284 35 HG21 THR 5 HG21 THR 5 2.851 -21.510 1.862 36 HG22 THR 5 HG22 THR 5 1.960 -20.812 3.017 37 HG23 THR 5 HG23 THR 5 3.187 -21.786 3.419 38 H GLU 6 H GLU 6 6.447 -19.440 4.246 39 HA GLU 6 HA GLU 6 7.018 -16.946 5.220 40 HB2 GLU 6 HB2 GLU 6 9.320 -17.451 4.690 41 HB3 GLU 6 HB3 GLU 6 8.578 -18.714 5.414 42 HG2 GLU 6 HG2 GLU 6 8.315 -19.727 3.238 43 HG3 GLU 6 HG3 GLU 6 9.214 -18.516 2.612 44 H GLU 7 H GLU 7 6.673 -17.885 1.948 45 HA GLU 7 HA GLU 7 7.793 -15.595 0.832 46 HB2 GLU 7 HB2 GLU 7 6.745 -16.305 -1.199 47 HB3 GLU 7 HB3 GLU 7 7.444 -17.579 -0.454 48 HG2 GLU 7 HG2 GLU 7 5.201 -18.031 0.477 49 HG3 GLU 7 HG3 GLU 7 4.653 -17.007 -0.670 50 H GLN 8 H GLN 8 4.629 -16.285 2.003 51 HA GLN 8 HA GLN 8 3.464 -13.943 0.967 52 HB2 GLN 8 HB2 GLN 8 2.484 -15.749 3.010 53 HB3 GLN 8 HB3 GLN 8 1.577 -14.548 2.380 54 HG2 GLN 8 HG2 GLN 8 2.603 -16.602 0.666 55 HG3 GLN 8 HG3 GLN 8 1.218 -16.850 1.495 56 HE21 GLN 8 HE21 GLN 8 2.717 -15.069 -1.026 57 HE22 GLN 8 HE22 GLN 8 1.254 -14.487 -1.747 58 H ILE 9 H ILE 9 4.891 -14.893 3.956 59 HA ILE 9 HA ILE 9 4.198 -12.638 5.408 60 HB ILE 9 HB ILE 9 6.428 -14.462 5.839 61 HG12 ILE 9 HG12 ILE 9 4.003 -14.312 7.397 62 HG13 ILE 9 HG13 ILE 9 4.106 -15.282 6.086 63 HG21 ILE 9 HG21 ILE 9 6.671 -13.534 8.069 64 HG22 ILE 9 HG22 ILE 9 5.538 -12.429 7.740 65 HG23 ILE 9 HG23 ILE 9 6.959 -12.385 6.969 66 HD11 ILE 9 HD11 ILE 9 4.451 -16.559 8.076 67 HD12 ILE 9 HD12 ILE 9 5.699 -15.614 8.484 68 HD13 ILE 9 HD13 ILE 9 5.802 -16.574 7.187 69 H ALA 10 H ALA 10 6.835 -13.328 3.261 70 HA ALA 10 HA ALA 10 8.313 -11.065 3.766 71 HB1 ALA 10 HB1 ALA 10 9.210 -12.904 2.468 72 HB2 ALA 10 HB2 ALA 10 9.391 -11.533 1.630 73 HB3 ALA 10 HB3 ALA 10 8.195 -12.557 1.257 74 H GLU 11 H GLU 11 5.853 -11.632 1.364 75 HA GLU 11 HA GLU 11 5.846 -9.104 0.212 76 HB2 GLU 11 HB2 GLU 11 4.800 -11.062 -0.752 77 HB3 GLU 11 HB3 GLU 11 3.650 -10.996 0.406 78 HG2 GLU 11 HG2 GLU 11 2.770 -9.054 -0.515 79 HG3 GLU 11 HG3 GLU 11 3.985 -8.979 -1.604 80 H PHE 12 H PHE 12 4.052 -10.401 2.864 81 HA PHE 12 HA PHE 12 2.415 -8.255 3.319 82 HB2 PHE 12 HB2 PHE 12 2.148 -10.436 4.346 83 HB3 PHE 12 HB3 PHE 12 3.434 -10.122 5.301 84 HD1 PHE 12 HD1 PHE 12 -0.029 -9.469 4.798 85 HD2 PHE 12 HD2 PHE 12 3.245 -8.605 7.214 86 HE1 PHE 12 HE1 PHE 12 -1.513 -8.553 6.472 87 HE2 PHE 12 HE2 PHE 12 1.777 -7.682 8.884 88 HZ PHE 12 HZ PHE 12 -0.605 -7.660 8.522 89 H LYS 13 H LYS 13 5.622 -8.880 4.546 90 HA LYS 13 HA LYS 13 5.603 -6.646 6.222 91 HB2 LYS 13 HB2 LYS 13 7.061 -8.592 6.537 92 HB3 LYS 13 HB3 LYS 13 7.985 -8.024 5.316 93 HG2 LYS 13 HG2 LYS 13 8.531 -6.113 6.587 94 HG3 LYS 13 HG3 LYS 13 7.557 -6.619 7.796 95 HD2 LYS 13 HD2 LYS 13 8.973 -8.474 8.172 96 HD3 LYS 13 HD3 LYS 13 9.940 -7.989 6.948 97 HE2 LYS 13 HE2 LYS 13 10.938 -7.294 8.962 98 HE3 LYS 13 HE3 LYS 13 10.405 -5.959 8.187 99 HZ1 LYS 13 HZ1 LYS 13 9.872 -5.832 10.496 100 HZ2 LYS 13 HZ2 LYS 13 9.038 -7.213 10.394 101 HZ3 LYS 13 HZ3 LYS 13 8.509 -5.892 9.626 102 H GLU 14 H GLU 14 6.523 -7.117 2.963 103 HA GLU 14 HA GLU 14 8.094 -4.901 2.613 104 HB2 GLU 14 HB2 GLU 14 7.828 -6.634 0.950 105 HB3 GLU 14 HB3 GLU 14 6.333 -6.066 0.622 106 HG2 GLU 14 HG2 GLU 14 7.247 -4.084 -0.252 107 HG3 GLU 14 HG3 GLU 14 8.752 -4.579 0.147 108 H ALA 15 H ALA 15 4.637 -5.212 2.390 109 HA ALA 15 HA ALA 15 4.154 -2.690 1.464 110 HB1 ALA 15 HB1 ALA 15 2.444 -4.439 1.506 111 HB2 ALA 15 HB2 ALA 15 1.845 -3.093 2.171 112 HB3 ALA 15 HB3 ALA 15 2.350 -4.306 3.114 113 H PHE 16 H PHE 16 4.570 -3.713 4.746 114 HA PHE 16 HA PHE 16 3.607 -1.415 5.948 115 HB2 PHE 16 HB2 PHE 16 4.085 -3.519 7.092 116 HB3 PHE 16 HB3 PHE 16 5.670 -3.132 7.036 117 HD1 PHE 16 HD1 PHE 16 6.516 -1.172 8.398 118 HD2 PHE 16 HD2 PHE 16 2.652 -2.659 8.803 119 HE1 PHE 16 HE1 PHE 16 6.321 -0.078 10.539 120 HE2 PHE 16 HE2 PHE 16 2.444 -1.548 10.937 121 HZ PHE 16 HZ PHE 16 4.292 -0.275 11.816 122 H SER 17 H SER 17 6.777 -2.270 4.842 123 HA SER 17 HA SER 17 8.099 -0.138 5.930 124 HB2 SER 17 HB2 SER 17 8.842 -1.697 3.566 125 HB3 SER 17 HB3 SER 17 9.908 -0.777 4.393 126 HG SER 17 HG SER 17 9.983 -2.144 5.987 127 H LEU 18 H LEU 18 6.113 -0.131 3.224 128 HA LEU 18 HA LEU 18 7.285 2.123 2.048 129 HB2 LEU 18 HB2 LEU 18 4.666 0.965 1.590 130 HB3 LEU 18 HB3 LEU 18 5.285 2.146 0.648 131 HG LEU 18 HG LEU 18 6.433 -0.484 0.845 132 HD11 LEU 18 HD11 LEU 18 5.458 -0.885 -1.331 133 HD12 LEU 18 HD12 LEU 18 4.748 0.567 -1.277 134 HD13 LEU 18 HD13 LEU 18 4.294 -0.594 -0.248 135 HD21 LEU 18 HD21 LEU 18 7.751 0.129 -1.061 136 HD22 LEU 18 HD22 LEU 18 8.064 1.122 0.175 137 HD23 LEU 18 HD23 LEU 18 7.109 1.613 -1.034 138 H PHE 19 H PHE 19 5.084 1.708 4.563 139 HA PHE 19 HA PHE 19 4.310 4.480 4.425 140 HB2 PHE 19 HB2 PHE 19 2.988 2.319 5.813 141 HB3 PHE 19 HB3 PHE 19 2.469 3.867 5.874 142 HD1 PHE 19 HD1 PHE 19 1.319 4.885 3.981 143 HD2 PHE 19 HD2 PHE 19 2.657 0.957 3.802 144 HE1 PHE 19 HE1 PHE 19 0.012 4.538 1.984 145 HE2 PHE 19 HE2 PHE 19 1.363 0.594 1.797 146 HZ PHE 19 HZ PHE 19 0.016 2.383 0.895 147 H ASP 20 H ASP 20 6.275 2.430 6.111 148 HA ASP 20 HA ASP 20 6.451 3.890 8.537 149 HB2 ASP 20 HB2 ASP 20 7.092 1.616 8.498 150 HB3 ASP 20 HB3 ASP 20 8.298 1.961 7.450 151 H LYS 21 H LYS 21 6.445 5.864 7.025 152 HA LYS 21 HA LYS 21 8.748 6.610 5.666 153 HB2 LYS 21 HB2 LYS 21 6.561 7.539 5.290 154 HB3 LYS 21 HB3 LYS 21 6.595 8.210 6.779 155 HG2 LYS 21 HG2 LYS 21 8.503 9.556 5.931 156 HG3 LYS 21 HG3 LYS 21 8.017 9.086 4.444 157 HD2 LYS 21 HD2 LYS 21 6.876 10.988 4.588 158 HD3 LYS 21 HD3 LYS 21 5.776 9.985 5.259 159 HE2 LYS 21 HE2 LYS 21 7.666 11.473 6.867 160 HE3 LYS 21 HE3 LYS 21 6.175 12.053 6.536 161 HZ1 LYS 21 HZ1 LYS 21 6.214 11.078 8.686 162 HZ2 LYS 21 HZ2 LYS 21 6.692 9.667 8.056 163 HZ3 LYS 21 HZ3 LYS 21 5.216 10.240 7.728 164 H ASP 22 H ASP 22 7.875 6.801 8.930 165 HA ASP 22 HA ASP 22 9.805 8.804 9.530 166 HB2 ASP 22 HB2 ASP 22 7.975 7.388 11.246 167 HB3 ASP 22 HB3 ASP 22 8.962 8.569 11.787 168 H GLY 23 H GLY 23 9.780 5.453 9.405 169 HA2 GLY 23 HA2 GLY 23 11.656 4.190 9.382 170 HA3 GLY 23 HA3 GLY 23 12.559 5.466 9.853 171 H ASP 24 H ASP 24 10.016 4.841 11.925 172 HA ASP 24 HA ASP 24 11.866 3.705 13.810 173 HB2 ASP 24 HB2 ASP 24 10.074 5.720 14.093 174 HB3 ASP 24 HB3 ASP 24 9.479 4.501 15.003 175 H GLY 25 H GLY 25 9.922 2.476 11.706 176 HA2 GLY 25 HA2 GLY 25 9.022 0.375 11.627 177 HA3 GLY 25 HA3 GLY 25 9.378 0.132 13.202 178 H THR 26 H THR 26 7.623 2.889 12.258 179 HA THR 26 HA THR 26 5.229 1.747 13.301 180 HB THR 26 HB THR 26 5.903 4.527 13.973 181 HG1 THR 26 HG1 THR 26 7.412 4.006 15.270 182 HG21 THR 26 HG21 THR 26 4.563 4.182 15.912 183 HG22 THR 26 HG22 THR 26 4.352 2.629 15.512 184 HG23 THR 26 HG23 THR 26 3.695 3.795 14.603 185 H ILE 27 H ILE 27 3.214 2.478 12.494 186 HA ILE 27 HA ILE 27 3.359 4.578 10.489 187 HB ILE 27 HB ILE 27 1.667 3.497 9.170 188 HG12 ILE 27 HG12 ILE 27 1.824 1.230 10.924 189 HG13 ILE 27 HG13 ILE 27 0.619 2.328 11.005 190 HG21 ILE 27 HG21 ILE 27 3.015 1.702 8.298 191 HG22 ILE 27 HG22 ILE 27 3.941 1.745 9.623 192 HG23 ILE 27 HG23 ILE 27 3.946 2.991 8.593 193 HD11 ILE 27 HD11 ILE 27 -0.111 0.402 9.787 194 HD12 ILE 27 HD12 ILE 27 1.093 0.601 8.725 195 HD13 ILE 27 HD13 ILE 27 -0.101 1.689 8.805 196 H THR 28 H THR 28 1.146 5.804 10.340 197 HA THR 28 HA THR 28 0.096 5.844 12.991 198 HB THR 28 HB THR 28 -0.997 7.913 12.477 199 HG1 THR 28 HG1 THR 28 -1.341 7.025 10.219 200 HG21 THR 28 HG21 THR 28 0.870 9.267 11.833 201 HG22 THR 28 HG22 THR 28 1.659 7.960 11.301 202 HG23 THR 28 HG23 THR 28 1.380 8.149 12.883 203 H THR 29 H THR 29 -2.316 5.937 13.340 204 HA THR 29 HA THR 29 -3.592 3.887 12.070 205 HB THR 29 HB THR 29 -4.417 4.610 14.210 206 HG1 THR 29 HG1 THR 29 -5.980 4.060 12.304 207 HG21 THR 29 HG21 THR 29 -5.503 6.729 14.502 208 HG22 THR 29 HG22 THR 29 -5.247 7.096 12.948 209 HG23 THR 29 HG23 THR 29 -4.000 6.993 13.970 210 H LYS 30 H LYS 30 -3.197 7.054 10.975 211 HA LYS 30 HA LYS 30 -5.401 7.110 9.265 212 HB2 LYS 30 HB2 LYS 30 -2.956 8.652 9.105 213 HB3 LYS 30 HB3 LYS 30 -4.311 9.019 8.270 214 HG2 LYS 30 HG2 LYS 30 -5.440 9.438 10.336 215 HG3 LYS 30 HG3 LYS 30 -4.048 9.140 11.136 216 HD2 LYS 30 HD2 LYS 30 -4.352 11.273 9.232 217 HD3 LYS 30 HD3 LYS 30 -4.468 11.487 10.847 218 HE2 LYS 30 HE2 LYS 30 -2.186 10.740 11.078 219 HE3 LYS 30 HE3 LYS 30 -2.081 10.627 9.452 220 HZ1 LYS 30 HZ1 LYS 30 -1.132 12.658 10.193 221 HZ2 LYS 30 HZ2 LYS 30 -2.532 13.073 10.886 222 HZ3 LYS 30 HZ3 LYS 30 -2.428 12.963 9.276 223 H GLU 31 H GLU 31 -2.156 6.006 8.894 224 HA GLU 31 HA GLU 31 -2.406 5.686 6.118 225 HB2 GLU 31 HB2 GLU 31 -0.328 4.927 7.952 226 HB3 GLU 31 HB3 GLU 31 -0.267 4.369 6.418 227 HG2 GLU 31 HG2 GLU 31 1.021 6.173 6.175 228 HG3 GLU 31 HG3 GLU 31 -0.425 6.863 5.864 229 H LEU 32 H LEU 32 -3.267 3.843 8.787 230 HA LEU 32 HA LEU 32 -2.927 1.285 7.997 231 HB2 LEU 32 HB2 LEU 32 -3.808 1.892 10.127 232 HB3 LEU 32 HB3 LEU 32 -5.196 2.388 9.424 233 HG LEU 32 HG LEU 32 -5.763 0.130 8.984 234 HD11 LEU 32 HD11 LEU 32 -4.529 -1.666 9.933 235 HD12 LEU 32 HD12 LEU 32 -3.388 -0.629 10.423 236 HD13 LEU 32 HD13 LEU 32 -3.632 -0.876 8.844 237 HD21 LEU 32 HD21 LEU 32 -6.261 -0.455 11.278 238 HD22 LEU 32 HD22 LEU 32 -6.549 1.117 11.032 239 HD23 LEU 32 HD23 LEU 32 -5.197 0.651 11.788 240 H GLY 33 H GLY 33 -5.662 3.270 7.155 241 HA2 GLY 33 HA2 GLY 33 -6.995 1.333 5.687 242 HA3 GLY 33 HA3 GLY 33 -7.214 2.946 5.547 243 H THR 34 H THR 34 -4.474 3.490 4.808 244 HA THR 34 HA THR 34 -4.761 3.106 2.072 245 HB THR 34 HB THR 34 -2.236 3.974 3.213 246 HG1 THR 34 HG1 THR 34 -3.622 6.100 3.022 247 HG21 THR 34 HG21 THR 34 -2.229 5.503 1.363 248 HG22 THR 34 HG22 THR 34 -3.705 5.005 0.925 249 HG23 THR 34 HG23 THR 34 -2.440 4.005 0.792 250 H VAL 35 H VAL 35 -2.796 1.568 4.496 251 HA VAL 35 HA VAL 35 -1.210 0.143 2.776 252 HB VAL 35 HB VAL 35 -1.953 -0.860 5.432 253 HG11 VAL 35 HG11 VAL 35 0.172 -2.008 5.389 254 HG12 VAL 35 HG12 VAL 35 0.465 -1.423 3.910 255 HG13 VAL 35 HG13 VAL 35 -0.731 -2.488 4.136 256 HG21 VAL 35 HG21 VAL 35 -0.083 0.319 6.342 257 HG22 VAL 35 HG22 VAL 35 -1.135 1.364 5.696 258 HG23 VAL 35 HG23 VAL 35 0.217 0.977 4.896 259 H MET 36 H MET 36 -4.210 -0.708 4.347 260 HA MET 36 HA MET 36 -4.482 -3.220 3.290 261 HB2 MET 36 HB2 MET 36 -6.476 -1.358 4.222 262 HB3 MET 36 HB3 MET 36 -6.909 -2.851 3.721 263 HG2 MET 36 HG2 MET 36 -5.462 -3.751 5.348 264 HG3 MET 36 HG3 MET 36 -5.199 -2.235 5.894 265 HE1 MET 36 HE1 MET 36 -8.439 -1.175 7.553 266 HE2 MET 36 HE2 MET 36 -7.767 -0.703 6.159 267 HE3 MET 36 HE3 MET 36 -6.848 -0.901 7.474 268 H ARG 37 H ARG 37 -5.377 -0.156 1.961 269 HA ARG 37 HA ARG 37 -6.827 -1.117 -0.168 270 HB2 ARG 37 HB2 ARG 37 -6.619 1.244 0.623 271 HB3 ARG 37 HB3 ARG 37 -5.293 1.329 -0.326 272 HG2 ARG 37 HG2 ARG 37 -7.176 0.449 -1.971 273 HG3 ARG 37 HG3 ARG 37 -7.949 1.563 -1.060 274 HD2 ARG 37 HD2 ARG 37 -6.342 3.191 -1.663 275 HD3 ARG 37 HD3 ARG 37 -5.532 2.079 -2.543 276 HE ARG 37 HE ARG 37 -7.916 3.442 -3.301 277 HH11 ARG 37 HH11 ARG 37 -5.796 0.731 -4.083 278 HH12 ARG 37 HH12 ARG 37 -6.415 0.613 -5.697 279 HH21 ARG 37 HH21 ARG 37 -8.642 3.222 -5.367 280 HH22 ARG 37 HH22 ARG 37 -7.996 1.997 -6.409 281 H SER 38 H SER 38 -3.450 -0.978 0.248 282 HA SER 38 HA SER 38 -2.818 -1.251 -2.469 283 HB2 SER 38 HB2 SER 38 -1.199 -0.414 -0.849 284 HB3 SER 38 HB3 SER 38 -1.073 -1.927 -0.245 285 HG SER 38 HG SER 38 0.097 -2.548 -1.838 286 H LEU 39 H LEU 39 -3.437 -3.398 0.133 287 HA LEU 39 HA LEU 39 -2.674 -5.716 -1.282 288 HB2 LEU 39 HB2 LEU 39 -3.752 -5.232 1.318 289 HB3 LEU 39 HB3 LEU 39 -3.888 -6.751 0.733 290 HG LEU 39 HG LEU 39 -2.125 -6.561 2.249 291 HD11 LEU 39 HD11 LEU 39 -0.405 -7.634 0.896 292 HD12 LEU 39 HD12 LEU 39 -1.169 -7.142 -0.442 293 HD13 LEU 39 HD13 LEU 39 -1.865 -8.228 0.533 294 HD21 LEU 39 HD21 LEU 39 -0.124 -5.339 1.762 295 HD22 LEU 39 HD22 LEU 39 -1.385 -4.343 1.942 296 HD23 LEU 39 HD23 LEU 39 -0.840 -4.696 0.462 297 H GLY 40 H GLY 40 -5.294 -3.778 -1.401 298 HA2 GLY 40 HA2 GLY 40 -7.135 -4.112 -2.720 299 HA3 GLY 40 HA3 GLY 40 -6.832 -5.715 -2.805 300 H GLN 41 H GLN 41 -6.619 -5.106 0.319 301 HA GLN 41 HA GLN 41 -9.083 -6.238 0.985 302 HB2 GLN 41 HB2 GLN 41 -7.131 -6.423 2.357 303 HB3 GLN 41 HB3 GLN 41 -7.288 -4.844 2.746 304 HG2 GLN 41 HG2 GLN 41 -9.340 -5.325 3.851 305 HG3 GLN 41 HG3 GLN 41 -9.169 -6.904 3.472 306 HE21 GLN 41 HE21 GLN 41 -9.540 -6.155 6.078 307 HE22 GLN 41 HE22 GLN 41 -8.069 -6.442 6.947 308 H ASN 42 H ASN 42 -11.048 -5.320 1.348 309 HA ASN 42 HA ASN 42 -11.140 -2.448 1.527 310 HB2 ASN 42 HB2 ASN 42 -13.132 -2.443 0.126 311 HB3 ASN 42 HB3 ASN 42 -11.761 -2.835 -0.672 312 HD21 ASN 42 HD21 ASN 42 -11.284 -5.217 -0.932 313 HD22 ASN 42 HD22 ASN 42 -12.657 -6.213 -1.283 314 HA PRO 43 HA PRO 43 -13.563 -4.232 4.821 315 HB2 PRO 43 HB2 PRO 43 -12.617 -2.907 6.917 316 HB3 PRO 43 HB3 PRO 43 -11.706 -4.124 6.320 317 HG2 PRO 43 HG2 PRO 43 -11.476 -1.348 5.789 318 HG3 PRO 43 HG3 PRO 43 -10.294 -2.393 6.214 319 HD2 PRO 43 HD2 PRO 43 -10.662 -1.767 3.703 320 HD3 PRO 43 HD3 PRO 43 -10.149 -3.262 4.112 321 H THR 44 H THR 44 -15.325 -3.484 6.077 322 HA THR 44 HA THR 44 -16.553 -1.225 5.009 323 HB THR 44 HB THR 44 -17.736 -1.761 7.425 324 HG1 THR 44 HG1 THR 44 -17.625 -3.863 7.723 325 HG21 THR 44 HG21 THR 44 -19.454 -2.761 6.119 326 HG22 THR 44 HG22 THR 44 -18.460 -2.862 4.849 327 HG23 THR 44 HG23 THR 44 -18.957 -1.416 5.372 328 H GLU 45 H GLU 45 -17.057 0.849 6.191 329 HA GLU 45 HA GLU 45 -14.798 1.813 7.496 330 HB2 GLU 45 HB2 GLU 45 -16.053 3.790 7.886 331 HB3 GLU 45 HB3 GLU 45 -16.213 3.286 6.342 332 HG2 GLU 45 HG2 GLU 45 -18.336 2.289 7.020 333 HG3 GLU 45 HG3 GLU 45 -18.184 3.123 8.415 334 H ALA 46 H ALA 46 -17.635 0.281 8.657 335 HA ALA 46 HA ALA 46 -17.341 0.932 11.348 336 HB1 ALA 46 HB1 ALA 46 -19.406 0.034 10.519 337 HB2 ALA 46 HB2 ALA 46 -18.885 -0.891 11.741 338 HB3 ALA 46 HB3 ALA 46 -18.686 -1.381 10.213 339 H GLU 47 H GLU 47 -16.173 -1.655 9.388 340 HA GLU 47 HA GLU 47 -14.946 -3.175 11.359 341 HB2 GLU 47 HB2 GLU 47 -15.388 -3.889 9.070 342 HB3 GLU 47 HB3 GLU 47 -14.171 -2.922 8.573 343 HG2 GLU 47 HG2 GLU 47 -13.259 -4.968 8.574 344 HG3 GLU 47 HG3 GLU 47 -12.722 -4.313 9.971 345 H LEU 48 H LEU 48 -13.819 -0.640 9.304 346 HA LEU 48 HA LEU 48 -11.180 -0.656 10.085 347 HB2 LEU 48 HB2 LEU 48 -12.620 0.765 8.359 348 HB3 LEU 48 HB3 LEU 48 -12.106 1.896 9.419 349 HG LEU 48 HG LEU 48 -10.306 0.165 8.002 350 HD11 LEU 48 HD11 LEU 48 -9.882 2.070 6.543 351 HD12 LEU 48 HD12 LEU 48 -11.023 2.911 7.321 352 HD13 LEU 48 HD13 LEU 48 -11.432 1.624 6.431 353 HD21 LEU 48 HD21 LEU 48 -8.581 1.680 8.642 354 HD22 LEU 48 HD22 LEU 48 -9.291 1.044 9.948 355 HD23 LEU 48 HD23 LEU 48 -9.652 2.550 9.484 356 H GLN 49 H GLN 49 -13.926 1.032 11.374 357 HA GLN 49 HA GLN 49 -12.505 2.479 13.246 358 HB2 GLN 49 HB2 GLN 49 -14.797 2.968 12.593 359 HB3 GLN 49 HB3 GLN 49 -15.286 1.665 13.448 360 HG2 GLN 49 HG2 GLN 49 -14.542 2.722 15.443 361 HG3 GLN 49 HG3 GLN 49 -14.120 4.037 14.572 362 HE21 GLN 49 HE21 GLN 49 -16.392 2.825 16.513 363 HE22 GLN 49 HE22 GLN 49 -17.747 3.781 16.012 364 H ASP 50 H ASP 50 -13.914 -0.699 13.387 365 HA ASP 50 HA ASP 50 -13.590 -0.928 16.122 366 HB2 ASP 50 HB2 ASP 50 -15.014 -2.337 14.543 367 HB3 ASP 50 HB3 ASP 50 -13.719 -3.331 14.573 368 H MET 51 H MET 51 -11.549 -2.038 13.519 369 HA MET 51 HA MET 51 -9.795 -3.372 15.173 370 HB2 MET 51 HB2 MET 51 -8.290 -3.460 13.328 371 HB3 MET 51 HB3 MET 51 -9.812 -3.761 12.817 372 HG2 MET 51 HG2 MET 51 -9.987 -1.590 12.036 373 HG3 MET 51 HG3 MET 51 -8.474 -1.273 12.562 374 HE1 MET 51 HE1 MET 51 -9.540 -3.906 9.010 375 HE2 MET 51 HE2 MET 51 -10.581 -2.939 9.783 376 HE3 MET 51 HE3 MET 51 -10.006 -4.260 10.519 377 H ILE 52 H ILE 52 -10.076 -0.049 14.602 378 HA ILE 52 HA ILE 52 -7.476 0.608 15.415 379 HB ILE 52 HB ILE 52 -9.804 2.334 15.132 380 HG12 ILE 52 HG12 ILE 52 -7.427 2.338 13.478 381 HG13 ILE 52 HG13 ILE 52 -8.695 1.372 13.123 382 HG21 ILE 52 HG21 ILE 52 -8.348 4.259 15.362 383 HG22 ILE 52 HG22 ILE 52 -7.100 3.282 15.689 384 HG23 ILE 52 HG23 ILE 52 -8.331 3.397 16.730 385 HD11 ILE 52 HD11 ILE 52 -8.771 3.351 11.771 386 HD12 ILE 52 HD12 ILE 52 -8.805 4.273 13.099 387 HD13 ILE 52 HD13 ILE 52 -10.061 3.317 12.747 388 H ASN 53 H ASN 53 -10.460 0.085 17.068 389 HA ASN 53 HA ASN 53 -9.891 1.306 19.411 390 HB2 ASN 53 HB2 ASN 53 -11.446 -1.109 19.000 391 HB3 ASN 53 HB3 ASN 53 -11.357 -0.427 20.482 392 HD21 ASN 53 HD21 ASN 53 -13.259 -0.767 18.002 393 HD22 ASN 53 HD22 ASN 53 -14.162 0.709 18.100 394 H GLU 54 H GLU 54 -8.673 -1.633 18.189 395 HA GLU 54 HA GLU 54 -7.801 -2.784 20.520 396 HB2 GLU 54 HB2 GLU 54 -7.900 -3.913 18.366 397 HB3 GLU 54 HB3 GLU 54 -6.580 -3.074 17.898 398 HG2 GLU 54 HG2 GLU 54 -5.241 -4.223 19.404 399 HG3 GLU 54 HG3 GLU 54 -6.541 -4.949 20.073 400 H VAL 55 H VAL 55 -6.256 -0.410 18.530 401 HA VAL 55 HA VAL 55 -3.954 -0.490 20.243 402 HB VAL 55 HB VAL 55 -3.797 -0.555 17.690 403 HG11 VAL 55 HG11 VAL 55 -3.573 1.586 16.627 404 HG12 VAL 55 HG12 VAL 55 -3.985 2.321 18.006 405 HG13 VAL 55 HG13 VAL 55 -5.067 1.414 17.220 406 HG21 VAL 55 HG21 VAL 55 -1.623 0.418 17.708 407 HG22 VAL 55 HG22 VAL 55 -1.832 -0.529 19.002 408 HG23 VAL 55 HG23 VAL 55 -1.926 1.077 19.154 409 H ASP 56 H ASP 56 -6.705 1.244 19.930 410 HA ASP 56 HA ASP 56 -5.773 3.764 20.627 411 HB2 ASP 56 HB2 ASP 56 -8.354 2.558 20.550 412 HB3 ASP 56 HB3 ASP 56 -8.241 3.883 21.499 413 H ALA 57 H ALA 57 -5.815 1.007 22.376 414 HA ALA 57 HA ALA 57 -6.591 1.784 24.853 415 HB1 ALA 57 HB1 ALA 57 -6.067 -0.542 24.264 416 HB2 ALA 57 HB2 ALA 57 -5.299 -0.157 25.634 417 HB3 ALA 57 HB3 ALA 57 -4.493 -0.177 24.232 418 H ASP 58 H ASP 58 -3.496 2.274 23.393 419 HA ASP 58 HA ASP 58 -2.350 3.295 25.760 420 HB2 ASP 58 HB2 ASP 58 -1.403 2.739 23.158 421 HB3 ASP 58 HB3 ASP 58 -0.699 4.070 23.792 422 H GLY 59 H GLY 59 -4.300 4.539 23.380 423 HA2 GLY 59 HA2 GLY 59 -5.092 6.635 23.107 424 HA3 GLY 59 HA3 GLY 59 -4.263 7.132 24.423 425 H ASN 60 H ASN 60 -2.309 5.715 22.083 426 HA ASN 60 HA ASN 60 -1.288 8.305 21.483 427 HB2 ASN 60 HB2 ASN 60 0.758 7.103 20.782 428 HB3 ASN 60 HB3 ASN 60 0.353 6.795 22.334 429 HD21 ASN 60 HD21 ASN 60 1.826 4.949 21.980 430 HD22 ASN 60 HD22 ASN 60 1.118 3.507 21.332 431 H GLY 61 H GLY 61 -2.918 5.873 19.830 432 HA2 GLY 61 HA2 GLY 61 -3.700 5.908 17.723 433 HA3 GLY 61 HA3 GLY 61 -3.215 7.460 17.575 434 H THR 62 H THR 62 -0.864 5.069 18.238 435 HA THR 62 HA THR 62 0.067 5.263 15.512 436 HB THR 62 HB THR 62 2.358 4.981 16.385 437 HG1 THR 62 HG1 THR 62 2.338 5.595 18.755 438 HG21 THR 62 HG21 THR 62 2.584 7.209 17.247 439 HG22 THR 62 HG22 THR 62 0.988 7.292 17.496 440 HG23 THR 62 HG23 THR 62 1.570 7.244 15.988 441 H ILE 63 H ILE 63 1.259 3.328 14.656 442 HA ILE 63 HA ILE 63 0.396 0.979 16.049 443 HB ILE 63 HB ILE 63 0.279 1.243 13.130 444 HG12 ILE 63 HG12 ILE 63 -1.994 1.101 14.896 445 HG13 ILE 63 HG13 ILE 63 -1.449 2.495 14.244 446 HG21 ILE 63 HG21 ILE 63 -0.801 -0.926 13.123 447 HG22 ILE 63 HG22 ILE 63 -0.629 -1.021 14.728 448 HG23 ILE 63 HG23 ILE 63 0.674 -1.053 13.772 449 HD11 ILE 63 HD11 ILE 63 -3.338 1.705 13.020 450 HD12 ILE 63 HD12 ILE 63 -2.573 0.314 12.709 451 HD13 ILE 63 HD13 ILE 63 -2.033 1.694 12.064 452 H ASP 64 H ASP 64 2.153 0.035 16.822 453 HA ASP 64 HA ASP 64 4.651 0.071 15.479 454 HB2 ASP 64 HB2 ASP 64 4.169 -0.062 17.961 455 HB3 ASP 64 HB3 ASP 64 4.052 -1.669 17.691 456 H PHE 65 H PHE 65 5.825 -1.982 14.864 457 HA PHE 65 HA PHE 65 4.414 -3.391 13.090 458 HB2 PHE 65 HB2 PHE 65 6.983 -3.545 14.136 459 HB3 PHE 65 HB3 PHE 65 6.450 -5.071 13.896 460 HD1 PHE 65 HD1 PHE 65 8.198 -2.555 12.416 461 HD2 PHE 65 HD2 PHE 65 5.358 -5.453 11.492 462 HE1 PHE 65 HE1 PHE 65 8.842 -2.432 10.090 463 HE2 PHE 65 HE2 PHE 65 5.974 -5.322 9.161 464 HZ PHE 65 HZ PHE 65 7.730 -3.814 8.458 465 HA PRO 66 HA PRO 66 3.730 -7.031 15.871 466 HB2 PRO 66 HB2 PRO 66 3.476 -5.828 18.526 467 HB3 PRO 66 HB3 PRO 66 4.169 -7.270 18.199 468 HG2 PRO 66 HG2 PRO 66 5.636 -5.360 18.806 469 HG3 PRO 66 HG3 PRO 66 6.095 -6.330 17.576 470 HD2 PRO 66 HD2 PRO 66 4.831 -3.753 17.380 471 HD3 PRO 66 HD3 PRO 66 6.138 -4.280 16.553 472 H GLU 67 H GLU 67 2.377 -4.041 16.872 473 HA GLU 67 HA GLU 67 -0.134 -5.049 17.444 474 HB2 GLU 67 HB2 GLU 67 0.464 -2.338 16.611 475 HB3 GLU 67 HB3 GLU 67 -0.872 -2.787 17.436 476 HG2 GLU 67 HG2 GLU 67 1.816 -2.729 18.452 477 HG3 GLU 67 HG3 GLU 67 0.567 -1.808 18.963 478 H PHE 68 H PHE 68 1.222 -3.767 14.534 479 HA PHE 68 HA PHE 68 -1.025 -3.761 12.979 480 HB2 PHE 68 HB2 PHE 68 1.119 -2.844 12.314 481 HB3 PHE 68 HB3 PHE 68 1.654 -4.364 12.052 482 HD1 PHE 68 HD1 PHE 68 -0.682 -1.896 10.836 483 HD2 PHE 68 HD2 PHE 68 1.249 -5.480 9.971 484 HE1 PHE 68 HE1 PHE 68 -1.465 -1.760 8.562 485 HE2 PHE 68 HE2 PHE 68 0.486 -5.341 7.683 486 HZ PHE 68 HZ PHE 68 -0.893 -3.490 6.984 487 H LEU 69 H LEU 69 1.241 -6.326 13.583 488 HA LEU 69 HA LEU 69 0.047 -8.127 11.867 489 HB2 LEU 69 HB2 LEU 69 2.011 -8.295 13.891 490 HB3 LEU 69 HB3 LEU 69 1.230 -9.705 13.628 491 HG LEU 69 HG LEU 69 3.277 -9.690 12.529 492 HD11 LEU 69 HD11 LEU 69 2.536 -10.312 10.313 493 HD12 LEU 69 HD12 LEU 69 1.098 -9.634 10.609 494 HD13 LEU 69 HD13 LEU 69 1.560 -10.945 11.436 495 HD21 LEU 69 HD21 LEU 69 3.765 -8.187 10.727 496 HD22 LEU 69 HD22 LEU 69 3.599 -7.381 12.119 497 HD23 LEU 69 HD23 LEU 69 2.399 -7.379 11.036 498 H THR 70 H THR 70 -0.387 -7.522 15.245 499 HA THR 70 HA THR 70 -1.950 -9.724 15.731 500 HB THR 70 HB THR 70 -1.971 -7.257 17.325 501 HG1 THR 70 HG1 THR 70 -0.269 -8.108 18.458 502 HG21 THR 70 HG21 THR 70 -2.563 -8.662 19.166 503 HG22 THR 70 HG22 THR 70 -2.540 -9.964 18.207 504 HG23 THR 70 HG23 THR 70 -3.682 -8.836 18.011 505 H MET 71 H MET 71 -2.981 -6.426 15.085 506 HA MET 71 HA MET 71 -5.663 -7.081 15.271 507 HB2 MET 71 HB2 MET 71 -6.141 -4.923 14.382 508 HB3 MET 71 HB3 MET 71 -4.928 -4.806 15.468 509 HG2 MET 71 HG2 MET 71 -3.385 -4.711 13.728 510 HG3 MET 71 HG3 MET 71 -4.604 -4.814 12.646 511 HE1 MET 71 HE1 MET 71 -3.779 -1.217 15.317 512 HE2 MET 71 HE2 MET 71 -2.793 -2.492 15.185 513 HE3 MET 71 HE3 MET 71 -4.231 -2.653 15.907 514 H MET 72 H MET 72 -3.513 -7.081 12.557 515 HA MET 72 HA MET 72 -5.506 -7.338 10.636 516 HB2 MET 72 HB2 MET 72 -3.145 -6.694 10.251 517 HB3 MET 72 HB3 MET 72 -2.798 -8.289 10.288 518 HG2 MET 72 HG2 MET 72 -2.901 -7.600 8.131 519 HG3 MET 72 HG3 MET 72 -4.120 -8.643 8.440 520 HE1 MET 72 HE1 MET 72 -4.657 -4.121 8.000 521 HE2 MET 72 HE2 MET 72 -3.254 -4.879 7.730 522 HE3 MET 72 HE3 MET 72 -3.845 -4.782 9.233 523 H ALA 73 H ALA 73 -3.683 -9.665 12.420 524 HA ALA 73 HA ALA 73 -4.581 -11.880 11.011 525 HB1 ALA 73 HB1 ALA 73 -2.612 -11.995 12.416 526 HB2 ALA 73 HB2 ALA 73 -3.642 -13.160 12.860 527 HB3 ALA 73 HB3 ALA 73 -3.530 -11.804 13.732 528 H ARG 74 H ARG 74 -5.940 -10.054 13.538 529 HA ARG 74 HA ARG 74 -7.659 -11.935 14.548 530 HB2 ARG 74 HB2 ARG 74 -7.052 -9.722 15.547 531 HB3 ARG 74 HB3 ARG 74 -8.192 -9.070 14.576 532 HG2 ARG 74 HG2 ARG 74 -9.851 -10.351 15.690 533 HG3 ARG 74 HG3 ARG 74 -8.704 -10.959 16.680 534 HD2 ARG 74 HD2 ARG 74 -9.500 -8.177 16.590 535 HD3 ARG 74 HD3 ARG 74 -9.851 -9.212 17.804 536 HE ARG 74 HE ARG 74 -7.436 -7.805 17.429 537 HH11 ARG 74 HH11 ARG 74 -8.825 -10.608 19.043 538 HH12 ARG 74 HH12 ARG 74 -7.523 -10.698 20.181 539 HH21 ARG 74 HH21 ARG 74 -5.808 -7.999 18.893 540 HH22 ARG 74 HH22 ARG 74 -5.844 -9.245 20.096 541 H LYS 75 H LYS 75 -8.068 -9.980 11.761 542 HA LYS 75 HA LYS 75 -10.800 -10.133 11.631 543 HB2 LYS 75 HB2 LYS 75 -9.560 -8.670 10.211 544 HB3 LYS 75 HB3 LYS 75 -9.016 -9.953 9.359 545 HG2 LYS 75 HG2 LYS 75 -10.773 -8.827 8.156 546 HG3 LYS 75 HG3 LYS 75 -11.224 -10.355 8.522 547 HD2 LYS 75 HD2 LYS 75 -12.372 -9.417 10.479 548 HD3 LYS 75 HD3 LYS 75 -12.111 -7.944 9.826 549 HE2 LYS 75 HE2 LYS 75 -13.569 -8.332 8.113 550 HE3 LYS 75 HE3 LYS 75 -13.574 -9.943 8.381 551 HZ1 LYS 75 HZ1 LYS 75 -15.581 -8.963 9.262 552 HZ2 LYS 75 HZ2 LYS 75 -14.697 -7.990 10.204 553 HZ3 LYS 75 HZ3 LYS 75 -14.702 -9.585 10.468 554 H MET 76 H MET 76 -8.511 -12.555 10.909 555 HA MET 76 HA MET 76 -10.364 -14.206 9.547 556 HB2 MET 76 HB2 MET 76 -8.094 -14.518 9.075 557 HB3 MET 76 HB3 MET 76 -7.785 -14.870 10.640 558 HG2 MET 76 HG2 MET 76 -7.790 -16.772 9.318 559 HG3 MET 76 HG3 MET 76 -8.918 -16.830 10.499 560 HE1 MET 76 HE1 MET 76 -11.050 -18.749 8.002 561 HE2 MET 76 HE2 MET 76 -10.656 -18.604 9.563 562 HE3 MET 76 HE3 MET 76 -9.526 -19.002 8.477 563 H LYS 77 H LYS 77 -11.905 -15.490 10.467 564 HA LYS 77 HA LYS 77 -13.058 -16.557 12.073 565 HB2 LYS 77 HB2 LYS 77 -11.052 -17.882 12.250 566 HB3 LYS 77 HB3 LYS 77 -10.574 -16.932 13.489 567 HG2 LYS 77 HG2 LYS 77 -12.850 -17.810 14.422 568 HG3 LYS 77 HG3 LYS 77 -12.373 -19.095 13.535 569 HD2 LYS 77 HD2 LYS 77 -11.491 -19.459 15.655 570 HD3 LYS 77 HD3 LYS 77 -10.225 -18.982 14.740 571 HE2 LYS 77 HE2 LYS 77 -10.563 -16.717 15.598 572 HE3 LYS 77 HE3 LYS 77 -11.663 -17.333 16.635 573 HZ1 LYS 77 HZ1 LYS 77 -9.610 -17.025 17.711 574 HZ2 LYS 77 HZ2 LYS 77 -8.882 -17.990 16.637 575 HZ3 LYS 77 HZ3 LYS 77 -9.972 -18.600 17.664 576 H ASP 78 H ASP 78 -13.576 -14.073 12.169 577 HA ASP 78 HA ASP 78 -13.487 -13.280 14.953 578 HB2 ASP 78 HB2 ASP 78 -12.625 -11.712 13.273 579 HB3 ASP 78 HB3 ASP 78 -14.164 -11.542 12.752 580 H THR 79 H THR 79 -15.577 -12.043 15.657 581 HA THR 79 HA THR 79 -17.917 -13.178 14.398 582 HB THR 79 HB THR 79 -18.975 -13.276 16.643 583 HG1 THR 79 HG1 THR 79 -17.944 -12.543 18.252 584 HG21 THR 79 HG21 THR 79 -17.942 -15.356 17.251 585 HG22 THR 79 HG22 THR 79 -16.678 -15.027 16.298 586 HG23 THR 79 HG23 THR 79 -18.126 -15.325 15.644 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -8.815 -22.918 2.757 2 H2 ALA 1 H2 ALA 1 -7.295 -23.319 3.138 3 H3 ALA 1 H3 ALA 1 -7.686 -23.001 1.602 4 HA ALA 1 HA ALA 1 -8.091 -20.766 2.136 5 HB1 ALA 1 HB1 ALA 1 -8.791 -21.051 4.447 6 HB2 ALA 1 HB2 ALA 1 -7.629 -19.930 4.375 7 HB3 ALA 1 HB3 ALA 1 -7.275 -21.430 4.864 8 H ASP 2 H ASP 2 -6.440 -19.129 2.062 9 HA ASP 2 HA ASP 2 -3.948 -20.250 1.270 10 HB2 ASP 2 HB2 ASP 2 -4.770 -17.482 1.376 11 HB3 ASP 2 HB3 ASP 2 -3.417 -18.018 0.633 12 H GLN 3 H GLN 3 -1.853 -19.194 2.103 13 HA GLN 3 HA GLN 3 -2.008 -18.301 4.822 14 HB2 GLN 3 HB2 GLN 3 -1.904 -20.726 4.956 15 HB3 GLN 3 HB3 GLN 3 -0.436 -20.645 4.245 16 HG2 GLN 3 HG2 GLN 3 0.402 -19.452 6.107 17 HG3 GLN 3 HG3 GLN 3 -1.067 -19.531 6.819 18 HE21 GLN 3 HE21 GLN 3 1.893 -20.877 6.688 19 HE22 GLN 3 HE22 GLN 3 1.529 -22.412 7.404 20 H LEU 4 H LEU 4 -0.149 -17.018 5.368 21 HA LEU 4 HA LEU 4 1.269 -16.035 3.217 22 HB2 LEU 4 HB2 LEU 4 1.611 -15.707 6.039 23 HB3 LEU 4 HB3 LEU 4 2.756 -15.109 5.041 24 HG LEU 4 HG LEU 4 0.988 -13.756 4.038 25 HD11 LEU 4 HD11 LEU 4 -0.965 -13.292 5.340 26 HD12 LEU 4 HD12 LEU 4 -0.546 -14.449 6.388 27 HD13 LEU 4 HD13 LEU 4 -0.952 -14.841 4.873 28 HD21 LEU 4 HD21 LEU 4 1.165 -12.076 5.792 29 HD22 LEU 4 HD22 LEU 4 2.600 -12.781 5.551 30 HD23 LEU 4 HD23 LEU 4 1.689 -13.212 6.816 31 H THR 5 H THR 5 3.454 -16.225 2.605 32 HA THR 5 HA THR 5 4.840 -18.573 3.581 33 HB THR 5 HB THR 5 5.687 -18.895 1.329 34 HG1 THR 5 HG1 THR 5 3.838 -17.135 0.371 35 HG21 THR 5 HG21 THR 5 3.669 -19.702 0.323 36 HG22 THR 5 HG22 THR 5 2.781 -18.844 1.367 37 HG23 THR 5 HG23 THR 5 3.656 -20.099 1.890 38 H GLU 6 H GLU 6 7.332 -18.309 3.081 39 HA GLU 6 HA GLU 6 8.153 -15.947 4.182 40 HB2 GLU 6 HB2 GLU 6 9.818 -17.669 2.543 41 HB3 GLU 6 HB3 GLU 6 10.376 -16.651 3.691 42 HG2 GLU 6 HG2 GLU 6 8.894 -19.068 4.166 43 HG3 GLU 6 HG3 GLU 6 10.468 -18.825 4.525 44 H GLU 7 H GLU 7 7.984 -16.851 0.843 45 HA GLU 7 HA GLU 7 9.206 -14.553 -0.102 46 HB2 GLU 7 HB2 GLU 7 8.288 -15.209 -2.277 47 HB3 GLU 7 HB3 GLU 7 9.193 -16.356 -1.548 48 HG2 GLU 7 HG2 GLU 7 6.405 -16.544 -1.140 49 HG3 GLU 7 HG3 GLU 7 6.936 -16.894 -2.644 50 H GLN 8 H GLN 8 5.934 -15.206 0.745 51 HA GLN 8 HA GLN 8 4.916 -12.890 -0.454 52 HB2 GLN 8 HB2 GLN 8 3.833 -14.916 1.133 53 HB3 GLN 8 HB3 GLN 8 3.173 -13.463 1.485 54 HG2 GLN 8 HG2 GLN 8 1.787 -14.378 -0.085 55 HG3 GLN 8 HG3 GLN 8 2.658 -13.261 -0.897 56 HE21 GLN 8 HE21 GLN 8 3.989 -13.818 -2.581 57 HE22 GLN 8 HE22 GLN 8 4.106 -15.452 -3.143 58 H ILE 9 H ILE 9 6.127 -13.689 2.687 59 HA ILE 9 HA ILE 9 5.440 -11.322 3.948 60 HB ILE 9 HB ILE 9 7.558 -13.198 4.645 61 HG12 ILE 9 HG12 ILE 9 5.076 -12.857 6.070 62 HG13 ILE 9 HG13 ILE 9 5.164 -13.871 4.792 63 HG21 ILE 9 HG21 ILE 9 7.687 -12.134 6.830 64 HG22 ILE 9 HG22 ILE 9 6.624 -11.014 6.353 65 HG23 ILE 9 HG23 ILE 9 8.095 -11.069 5.685 66 HD11 ILE 9 HD11 ILE 9 5.382 -15.110 6.834 67 HD12 ILE 9 HD12 ILE 9 6.667 -14.222 7.252 68 HD13 ILE 9 HD13 ILE 9 6.754 -15.226 5.987 69 H ALA 10 H ALA 10 8.170 -12.231 2.012 70 HA ALA 10 HA ALA 10 9.746 -10.048 2.515 71 HB1 ALA 10 HB1 ALA 10 10.567 -11.949 1.268 72 HB2 ALA 10 HB2 ALA 10 10.871 -10.599 0.433 73 HB3 ALA 10 HB3 ALA 10 9.629 -11.544 0.015 74 H GLU 11 H GLU 11 7.294 -10.444 0.053 75 HA GLU 11 HA GLU 11 7.558 -7.894 -1.036 76 HB2 GLU 11 HB2 GLU 11 6.459 -9.672 -2.199 77 HB3 GLU 11 HB3 GLU 11 5.254 -9.652 -1.097 78 HG2 GLU 11 HG2 GLU 11 4.538 -7.554 -1.867 79 HG3 GLU 11 HG3 GLU 11 5.793 -7.484 -2.911 80 H PHE 12 H PHE 12 5.544 -9.172 1.456 81 HA PHE 12 HA PHE 12 3.949 -6.983 1.863 82 HB2 PHE 12 HB2 PHE 12 3.600 -9.194 2.838 83 HB3 PHE 12 HB3 PHE 12 4.797 -8.872 3.901 84 HD1 PHE 12 HD1 PHE 12 1.383 -8.432 3.188 85 HD2 PHE 12 HD2 PHE 12 4.459 -7.144 5.675 86 HE1 PHE 12 HE1 PHE 12 -0.236 -7.495 4.695 87 HE2 PHE 12 HE2 PHE 12 2.846 -6.153 7.164 88 HZ PHE 12 HZ PHE 12 0.489 -6.360 6.693 89 H LYS 13 H LYS 13 7.032 -7.753 3.202 90 HA LYS 13 HA LYS 13 7.203 -5.740 5.068 91 HB2 LYS 13 HB2 LYS 13 8.707 -7.618 4.894 92 HB3 LYS 13 HB3 LYS 13 9.371 -6.933 3.569 93 HG2 LYS 13 HG2 LYS 13 9.562 -5.199 5.704 94 HG3 LYS 13 HG3 LYS 13 10.228 -6.638 6.096 95 HD2 LYS 13 HD2 LYS 13 10.956 -5.141 3.746 96 HD3 LYS 13 HD3 LYS 13 11.819 -5.111 5.132 97 HE2 LYS 13 HE2 LYS 13 12.451 -7.349 4.876 98 HE3 LYS 13 HE3 LYS 13 11.390 -7.566 3.653 99 HZ1 LYS 13 HZ1 LYS 13 13.583 -7.345 2.800 100 HZ2 LYS 13 HZ2 LYS 13 13.724 -5.896 3.503 101 HZ3 LYS 13 HZ3 LYS 13 12.673 -6.110 2.293 102 H GLU 14 H GLU 14 8.100 -5.698 1.698 103 HA GLU 14 HA GLU 14 9.156 -3.143 1.777 104 HB2 GLU 14 HB2 GLU 14 8.575 -4.962 -0.248 105 HB3 GLU 14 HB3 GLU 14 8.314 -3.429 -0.747 106 HG2 GLU 14 HG2 GLU 14 10.453 -3.741 -1.369 107 HG3 GLU 14 HG3 GLU 14 10.642 -3.009 0.078 108 H ALA 15 H ALA 15 5.913 -4.295 1.246 109 HA ALA 15 HA ALA 15 4.854 -1.842 0.498 110 HB1 ALA 15 HB1 ALA 15 3.642 -3.883 0.098 111 HB2 ALA 15 HB2 ALA 15 2.694 -2.854 0.909 112 HB3 ALA 15 HB3 ALA 15 3.416 -4.072 1.689 113 H PHE 16 H PHE 16 5.272 -3.346 3.581 114 HA PHE 16 HA PHE 16 3.849 -1.517 5.117 115 HB2 PHE 16 HB2 PHE 16 4.656 -3.705 5.861 116 HB3 PHE 16 HB3 PHE 16 6.134 -3.030 6.029 117 HD1 PHE 16 HD1 PHE 16 6.573 -1.395 7.843 118 HD2 PHE 16 HD2 PHE 16 2.912 -3.350 7.498 119 HE1 PHE 16 HE1 PHE 16 6.025 -0.759 10.106 120 HE2 PHE 16 HE2 PHE 16 2.354 -2.722 9.764 121 HZ PHE 16 HZ PHE 16 3.921 -1.442 11.079 122 H SER 17 H SER 17 7.126 -1.665 4.049 123 HA SER 17 HA SER 17 8.066 0.514 5.410 124 HB2 SER 17 HB2 SER 17 9.531 -1.113 4.323 125 HB3 SER 17 HB3 SER 17 9.099 -0.509 2.869 126 HG SER 17 HG SER 17 10.210 1.157 4.720 127 H LEU 18 H LEU 18 6.078 0.514 2.691 128 HA LEU 18 HA LEU 18 6.821 3.073 1.826 129 HB2 LEU 18 HB2 LEU 18 4.494 1.484 1.200 130 HB3 LEU 18 HB3 LEU 18 4.720 2.954 0.527 131 HG LEU 18 HG LEU 18 6.524 0.758 0.107 132 HD11 LEU 18 HD11 LEU 18 5.461 0.496 -2.053 133 HD12 LEU 18 HD12 LEU 18 4.390 1.643 -1.663 134 HD13 LEU 18 HD13 LEU 18 4.385 0.233 -0.874 135 HD21 LEU 18 HD21 LEU 18 7.394 2.082 -1.703 136 HD22 LEU 18 HD22 LEU 18 7.554 2.880 -0.305 137 HD23 LEU 18 HD23 LEU 18 6.367 3.274 -1.330 138 H PHE 19 H PHE 19 4.959 1.963 4.355 139 HA PHE 19 HA PHE 19 3.694 4.519 4.611 140 HB2 PHE 19 HB2 PHE 19 2.696 1.920 5.388 141 HB3 PHE 19 HB3 PHE 19 1.999 3.271 5.984 142 HD1 PHE 19 HD1 PHE 19 0.479 4.575 4.678 143 HD2 PHE 19 HD2 PHE 19 2.526 1.396 2.949 144 HE1 PHE 19 HE1 PHE 19 -0.907 4.762 2.718 145 HE2 PHE 19 HE2 PHE 19 1.153 1.575 0.972 146 HZ PHE 19 HZ PHE 19 -0.579 3.256 0.857 147 H ASP 20 H ASP 20 5.829 2.479 6.217 148 HA ASP 20 HA ASP 20 5.575 3.845 8.731 149 HB2 ASP 20 HB2 ASP 20 6.823 2.323 9.615 150 HB3 ASP 20 HB3 ASP 20 6.489 1.490 8.251 151 H LYS 21 H LYS 21 7.181 5.430 9.539 152 HA LYS 21 HA LYS 21 8.308 6.698 7.283 153 HB2 LYS 21 HB2 LYS 21 6.741 7.922 8.829 154 HB3 LYS 21 HB3 LYS 21 7.994 8.016 9.871 155 HG2 LYS 21 HG2 LYS 21 9.166 9.409 8.469 156 HG3 LYS 21 HG3 LYS 21 8.140 9.125 7.230 157 HD2 LYS 21 HD2 LYS 21 6.429 10.256 8.457 158 HD3 LYS 21 HD3 LYS 21 7.542 10.633 9.592 159 HE2 LYS 21 HE2 LYS 21 8.791 11.849 7.991 160 HE3 LYS 21 HE3 LYS 21 7.731 11.429 6.822 161 HZ1 LYS 21 HZ1 LYS 21 7.296 13.631 7.567 162 HZ2 LYS 21 HZ2 LYS 21 7.090 13.090 9.077 163 HZ3 LYS 21 HZ3 LYS 21 6.040 12.674 7.919 164 H ASP 22 H ASP 22 9.556 5.585 10.268 165 HA ASP 22 HA ASP 22 12.112 6.507 9.385 166 HB2 ASP 22 HB2 ASP 22 12.732 7.079 11.650 167 HB3 ASP 22 HB3 ASP 22 11.343 7.849 11.267 168 H GLY 23 H GLY 23 10.674 3.791 9.634 169 HA2 GLY 23 HA2 GLY 23 11.682 1.757 9.464 170 HA3 GLY 23 HA3 GLY 23 13.105 2.377 9.973 171 H ASP 24 H ASP 24 10.610 3.120 12.090 172 HA ASP 24 HA ASP 24 11.710 1.405 14.009 173 HB2 ASP 24 HB2 ASP 24 10.339 2.450 15.585 174 HB3 ASP 24 HB3 ASP 24 10.784 3.619 14.536 175 H GLY 25 H GLY 25 9.171 1.113 11.841 176 HA2 GLY 25 HA2 GLY 25 8.173 -0.928 11.394 177 HA3 GLY 25 HA3 GLY 25 8.523 -1.469 12.895 178 H THR 26 H THR 26 7.110 1.593 12.721 179 HA THR 26 HA THR 26 4.556 0.479 13.446 180 HB THR 26 HB THR 26 5.507 3.053 14.452 181 HG1 THR 26 HG1 THR 26 6.177 2.005 16.330 182 HG21 THR 26 HG21 THR 26 3.940 2.747 16.197 183 HG22 THR 26 HG22 THR 26 3.516 1.309 15.590 184 HG23 THR 26 HG23 THR 26 3.170 2.664 14.777 185 H ILE 27 H ILE 27 2.665 1.322 12.511 186 HA ILE 27 HA ILE 27 3.130 3.475 10.653 187 HB ILE 27 HB ILE 27 1.182 2.638 9.360 188 HG12 ILE 27 HG12 ILE 27 1.402 0.246 10.924 189 HG13 ILE 27 HG13 ILE 27 0.267 1.381 11.224 190 HG21 ILE 27 HG21 ILE 27 2.427 0.898 8.269 191 HG22 ILE 27 HG22 ILE 27 3.450 0.834 9.519 192 HG23 ILE 27 HG23 ILE 27 3.398 2.152 8.585 193 HD11 ILE 27 HD11 ILE 27 -0.680 -0.398 9.926 194 HD12 ILE 27 HD12 ILE 27 0.418 -0.156 8.765 195 HD13 ILE 27 HD13 ILE 27 -0.706 0.968 9.062 196 H THR 28 H THR 28 1.309 5.045 10.333 197 HA THR 28 HA THR 28 0.163 5.635 12.821 198 HB THR 28 HB THR 28 -0.912 7.525 11.692 199 HG1 THR 28 HG1 THR 28 0.004 6.190 9.488 200 HG21 THR 28 HG21 THR 28 1.099 8.672 11.071 201 HG22 THR 28 HG22 THR 28 1.896 7.268 10.988 202 HG23 THR 28 HG23 THR 28 1.387 7.826 12.418 203 H THR 29 H THR 29 -2.011 5.382 13.479 204 HA THR 29 HA THR 29 -3.371 3.306 12.305 205 HB THR 29 HB THR 29 -3.627 4.054 14.671 206 HG1 THR 29 HG1 THR 29 -5.289 2.818 13.204 207 HG21 THR 29 HG21 THR 29 -5.292 5.705 15.150 208 HG22 THR 29 HG22 THR 29 -5.527 5.955 13.570 209 HG23 THR 29 HG23 THR 29 -4.129 6.388 14.257 210 H LYS 30 H LYS 30 -3.307 6.514 11.448 211 HA LYS 30 HA LYS 30 -5.843 6.678 10.317 212 HB2 LYS 30 HB2 LYS 30 -3.525 8.302 9.669 213 HB3 LYS 30 HB3 LYS 30 -5.075 8.748 9.406 214 HG2 LYS 30 HG2 LYS 30 -5.146 8.386 11.978 215 HG3 LYS 30 HG3 LYS 30 -3.595 8.869 11.805 216 HD2 LYS 30 HD2 LYS 30 -4.715 10.800 12.191 217 HD3 LYS 30 HD3 LYS 30 -4.516 10.793 10.569 218 HE2 LYS 30 HE2 LYS 30 -6.731 9.992 10.281 219 HE3 LYS 30 HE3 LYS 30 -6.931 9.920 11.900 220 HZ1 LYS 30 HZ1 LYS 30 -7.955 11.863 11.035 221 HZ2 LYS 30 HZ2 LYS 30 -6.541 12.347 10.417 222 HZ3 LYS 30 HZ3 LYS 30 -6.740 12.276 12.019 223 H GLU 31 H GLU 31 -2.884 5.512 9.165 224 HA GLU 31 HA GLU 31 -3.846 5.454 6.465 225 HB2 GLU 31 HB2 GLU 31 -1.271 5.532 7.635 226 HB3 GLU 31 HB3 GLU 31 -1.359 4.599 6.298 227 HG2 GLU 31 HG2 GLU 31 -0.669 6.806 5.749 228 HG3 GLU 31 HG3 GLU 31 -2.086 6.440 5.024 229 H LEU 32 H LEU 32 -4.344 3.577 8.871 230 HA LEU 32 HA LEU 32 -3.524 1.047 8.242 231 HB2 LEU 32 HB2 LEU 32 -4.764 1.816 10.218 232 HB3 LEU 32 HB3 LEU 32 -6.122 1.700 9.317 233 HG LEU 32 HG LEU 32 -4.577 -0.513 10.254 234 HD11 LEU 32 HD11 LEU 32 -6.558 -0.888 11.680 235 HD12 LEU 32 HD12 LEU 32 -7.246 0.431 11.047 236 HD13 LEU 32 HD13 LEU 32 -5.936 0.573 11.986 237 HD21 LEU 32 HD21 LEU 32 -6.272 -1.965 9.497 238 HD22 LEU 32 HD22 LEU 32 -5.578 -1.189 8.259 239 HD23 LEU 32 HD23 LEU 32 -7.030 -0.720 8.795 240 H GLY 33 H GLY 33 -6.498 2.597 7.225 241 HA2 GLY 33 HA2 GLY 33 -7.305 0.493 5.588 242 HA3 GLY 33 HA3 GLY 33 -7.895 2.015 5.543 243 H THR 34 H THR 34 -5.255 3.171 5.035 244 HA THR 34 HA THR 34 -5.429 3.109 2.280 245 HB THR 34 HB THR 34 -3.164 4.247 3.749 246 HG1 THR 34 HG1 THR 34 -5.563 5.545 3.289 247 HG21 THR 34 HG21 THR 34 -3.122 5.879 1.998 248 HG22 THR 34 HG22 THR 34 -4.411 5.193 1.302 249 HG23 THR 34 HG23 THR 34 -2.997 4.410 1.334 250 H VAL 35 H VAL 35 -3.035 1.735 4.445 251 HA VAL 35 HA VAL 35 -1.454 0.769 2.363 252 HB VAL 35 HB VAL 35 -0.472 1.036 4.543 253 HG11 VAL 35 HG11 VAL 35 -0.900 -0.471 6.330 254 HG12 VAL 35 HG12 VAL 35 -2.058 -1.186 5.458 255 HG13 VAL 35 HG13 VAL 35 -2.241 0.345 5.942 256 HG21 VAL 35 HG21 VAL 35 0.838 -0.991 4.627 257 HG22 VAL 35 HG22 VAL 35 0.684 -0.494 3.096 258 HG23 VAL 35 HG23 VAL 35 -0.220 -1.718 3.643 259 H MET 36 H MET 36 -4.092 -0.564 4.141 260 HA MET 36 HA MET 36 -3.886 -3.104 3.048 261 HB2 MET 36 HB2 MET 36 -5.676 -1.789 4.717 262 HB3 MET 36 HB3 MET 36 -6.468 -2.801 3.710 263 HG2 MET 36 HG2 MET 36 -5.586 -4.578 4.557 264 HG3 MET 36 HG3 MET 36 -4.216 -3.807 4.998 265 HE1 MET 36 HE1 MET 36 -7.958 -3.058 7.331 266 HE2 MET 36 HE2 MET 36 -7.979 -3.848 5.921 267 HE3 MET 36 HE3 MET 36 -7.528 -2.296 5.972 268 H ARG 37 H ARG 37 -5.447 -0.249 1.917 269 HA ARG 37 HA ARG 37 -6.930 -1.433 -0.093 270 HB2 ARG 37 HB2 ARG 37 -7.255 0.853 0.540 271 HB3 ARG 37 HB3 ARG 37 -5.811 1.237 -0.121 272 HG2 ARG 37 HG2 ARG 37 -6.655 0.683 -2.271 273 HG3 ARG 37 HG3 ARG 37 -8.101 0.318 -1.605 274 HD2 ARG 37 HD2 ARG 37 -8.420 2.556 -0.983 275 HD3 ARG 37 HD3 ARG 37 -6.930 2.945 -1.530 276 HE ARG 37 HE ARG 37 -8.296 1.840 -3.651 277 HH11 ARG 37 HH11 ARG 37 -8.447 4.775 -1.717 278 HH12 ARG 37 HH12 ARG 37 -9.163 5.688 -3.004 279 HH21 ARG 37 HH21 ARG 37 -9.204 3.067 -5.248 280 HH22 ARG 37 HH22 ARG 37 -9.586 4.734 -4.973 281 H SER 38 H SER 38 -3.637 -0.364 0.017 282 HA SER 38 HA SER 38 -3.040 -0.710 -2.652 283 HB2 SER 38 HB2 SER 38 -1.186 -1.008 -0.422 284 HB3 SER 38 HB3 SER 38 -0.738 -0.670 -1.956 285 HG SER 38 HG SER 38 -2.159 1.223 -1.674 286 H LEU 39 H LEU 39 -3.166 -2.924 -0.049 287 HA LEU 39 HA LEU 39 -2.128 -5.080 -1.578 288 HB2 LEU 39 HB2 LEU 39 -3.134 -5.005 1.139 289 HB3 LEU 39 HB3 LEU 39 -2.479 -6.349 0.481 290 HG LEU 39 HG LEU 39 -0.966 -3.923 0.826 291 HD11 LEU 39 HD11 LEU 39 -0.013 -4.913 2.803 292 HD12 LEU 39 HD12 LEU 39 -1.022 -6.169 2.659 293 HD13 LEU 39 HD13 LEU 39 -1.604 -4.698 2.996 294 HD21 LEU 39 HD21 LEU 39 0.965 -5.334 0.531 295 HD22 LEU 39 HD22 LEU 39 0.009 -5.426 -0.770 296 HD23 LEU 39 HD23 LEU 39 0.001 -6.616 0.325 297 H GLY 40 H GLY 40 -4.977 -3.654 -1.638 298 HA2 GLY 40 HA2 GLY 40 -6.790 -4.384 -2.789 299 HA3 GLY 40 HA3 GLY 40 -6.211 -5.911 -2.804 300 H GLN 41 H GLN 41 -6.246 -4.965 0.338 301 HA GLN 41 HA GLN 41 -8.478 -6.599 0.849 302 HB2 GLN 41 HB2 GLN 41 -6.590 -6.563 2.330 303 HB3 GLN 41 HB3 GLN 41 -6.991 -5.042 2.771 304 HG2 GLN 41 HG2 GLN 41 -8.867 -5.764 3.901 305 HG3 GLN 41 HG3 GLN 41 -8.792 -7.244 3.215 306 HE21 GLN 41 HE21 GLN 41 -8.623 -5.969 6.045 307 HE22 GLN 41 HE22 GLN 41 -7.370 -6.917 6.774 308 H ASN 42 H ASN 42 -10.563 -6.108 1.198 309 HA ASN 42 HA ASN 42 -11.236 -3.306 1.381 310 HB2 ASN 42 HB2 ASN 42 -12.053 -4.462 -0.602 311 HB3 ASN 42 HB3 ASN 42 -12.929 -5.440 0.368 312 HD21 ASN 42 HD21 ASN 42 -14.920 -4.865 1.085 313 HD22 ASN 42 HD22 ASN 42 -15.632 -3.336 0.693 314 HA PRO 43 HA PRO 43 -12.747 -4.929 5.273 315 HB2 PRO 43 HB2 PRO 43 -11.983 -3.015 6.936 316 HB3 PRO 43 HB3 PRO 43 -10.819 -4.002 6.359 317 HG2 PRO 43 HG2 PRO 43 -11.578 -1.435 5.356 318 HG3 PRO 43 HG3 PRO 43 -10.072 -1.952 5.722 319 HD2 PRO 43 HD2 PRO 43 -10.933 -2.036 3.254 320 HD3 PRO 43 HD3 PRO 43 -9.902 -3.176 3.805 321 H THR 44 H THR 44 -14.443 -4.336 6.797 322 HA THR 44 HA THR 44 -16.330 -2.606 5.611 323 HB THR 44 HB THR 44 -16.792 -3.345 8.306 324 HG1 THR 44 HG1 THR 44 -15.964 -5.242 8.036 325 HG21 THR 44 HG21 THR 44 -18.899 -4.024 7.432 326 HG22 THR 44 HG22 THR 44 -18.365 -3.804 5.923 327 HG23 THR 44 HG23 THR 44 -18.572 -2.533 6.901 328 H GLU 45 H GLU 45 -16.840 -0.448 6.282 329 HA GLU 45 HA GLU 45 -14.757 0.964 7.384 330 HB2 GLU 45 HB2 GLU 45 -16.596 1.784 5.931 331 HB3 GLU 45 HB3 GLU 45 -17.504 1.888 7.284 332 HG2 GLU 45 HG2 GLU 45 -16.162 3.583 8.119 333 HG3 GLU 45 HG3 GLU 45 -15.100 3.402 6.892 334 H ALA 46 H ALA 46 -17.522 -0.339 8.972 335 HA ALA 46 HA ALA 46 -17.183 1.062 11.334 336 HB1 ALA 46 HB1 ALA 46 -19.263 -0.094 10.814 337 HB2 ALA 46 HB2 ALA 46 -18.747 -0.565 12.272 338 HB3 ALA 46 HB3 ALA 46 -18.519 -1.519 10.987 339 H GLU 47 H GLU 47 -15.951 -1.991 10.301 340 HA GLU 47 HA GLU 47 -14.996 -2.930 12.669 341 HB2 GLU 47 HB2 GLU 47 -13.753 -3.334 10.073 342 HB3 GLU 47 HB3 GLU 47 -13.512 -4.310 11.361 343 HG2 GLU 47 HG2 GLU 47 -16.121 -4.070 10.248 344 HG3 GLU 47 HG3 GLU 47 -15.034 -5.076 9.557 345 H LEU 48 H LEU 48 -13.666 -0.643 10.496 346 HA LEU 48 HA LEU 48 -11.094 -0.628 11.419 347 HB2 LEU 48 HB2 LEU 48 -12.570 1.547 10.228 348 HB3 LEU 48 HB3 LEU 48 -10.957 1.612 10.469 349 HG LEU 48 HG LEU 48 -12.189 -0.289 8.700 350 HD11 LEU 48 HD11 LEU 48 -11.463 1.154 6.895 351 HD12 LEU 48 HD12 LEU 48 -10.933 2.235 7.975 352 HD13 LEU 48 HD13 LEU 48 -12.517 1.939 7.838 353 HD21 LEU 48 HD21 LEU 48 -9.967 -0.642 7.860 354 HD22 LEU 48 HD22 LEU 48 -10.026 -0.993 9.438 355 HD23 LEU 48 HD23 LEU 48 -9.385 0.407 8.944 356 H GLN 49 H GLN 49 -13.819 1.369 12.413 357 HA GLN 49 HA GLN 49 -12.357 2.824 14.245 358 HB2 GLN 49 HB2 GLN 49 -14.551 3.495 13.507 359 HB3 GLN 49 HB3 GLN 49 -15.199 2.294 14.405 360 HG2 GLN 49 HG2 GLN 49 -14.276 3.390 16.370 361 HG3 GLN 49 HG3 GLN 49 -13.889 4.651 15.409 362 HE21 GLN 49 HE21 GLN 49 -16.390 2.958 16.971 363 HE22 GLN 49 HE22 GLN 49 -17.630 4.141 16.721 364 H ASP 50 H ASP 50 -14.170 -0.105 14.539 365 HA ASP 50 HA ASP 50 -14.035 -0.290 17.277 366 HB2 ASP 50 HB2 ASP 50 -14.429 -2.391 15.321 367 HB3 ASP 50 HB3 ASP 50 -14.665 -2.632 16.919 368 H MET 51 H MET 51 -11.859 -1.654 14.891 369 HA MET 51 HA MET 51 -10.326 -2.901 16.869 370 HB2 MET 51 HB2 MET 51 -8.814 -3.523 15.169 371 HB3 MET 51 HB3 MET 51 -10.331 -3.698 14.591 372 HG2 MET 51 HG2 MET 51 -10.111 -1.662 13.457 373 HG3 MET 51 HG3 MET 51 -8.577 -1.540 14.003 374 HE1 MET 51 HE1 MET 51 -10.050 -4.439 10.829 375 HE2 MET 51 HE2 MET 51 -10.875 -3.158 11.371 376 HE3 MET 51 HE3 MET 51 -10.647 -4.438 12.333 377 H ILE 52 H ILE 52 -10.200 0.199 15.432 378 HA ILE 52 HA ILE 52 -7.609 0.789 16.274 379 HB ILE 52 HB ILE 52 -9.726 2.540 15.290 380 HG12 ILE 52 HG12 ILE 52 -7.191 1.874 14.067 381 HG13 ILE 52 HG13 ILE 52 -8.564 1.049 13.747 382 HG21 ILE 52 HG21 ILE 52 -8.206 4.393 15.234 383 HG22 ILE 52 HG22 ILE 52 -7.079 3.506 15.979 384 HG23 ILE 52 HG23 ILE 52 -8.433 3.917 16.762 385 HD11 ILE 52 HD11 ILE 52 -8.116 2.612 11.972 386 HD12 ILE 52 HD12 ILE 52 -8.137 3.838 13.027 387 HD13 ILE 52 HD13 ILE 52 -9.496 3.021 12.709 388 H ASN 53 H ASN 53 -10.732 1.416 17.647 389 HA ASN 53 HA ASN 53 -9.947 3.120 19.587 390 HB2 ASN 53 HB2 ASN 53 -12.132 1.221 19.512 391 HB3 ASN 53 HB3 ASN 53 -11.949 2.139 20.850 392 HD21 ASN 53 HD21 ASN 53 -14.288 2.315 19.736 393 HD22 ASN 53 HD22 ASN 53 -14.455 3.806 18.873 394 H GLU 54 H GLU 54 -9.565 -0.272 19.576 395 HA GLU 54 HA GLU 54 -8.900 -0.334 22.337 396 HB2 GLU 54 HB2 GLU 54 -10.122 -2.138 21.134 397 HB3 GLU 54 HB3 GLU 54 -8.672 -2.574 20.519 398 HG2 GLU 54 HG2 GLU 54 -9.032 -4.009 22.272 399 HG3 GLU 54 HG3 GLU 54 -7.935 -2.933 22.826 400 H VAL 55 H VAL 55 -7.226 -0.554 19.301 401 HA VAL 55 HA VAL 55 -4.867 -1.424 20.454 402 HB VAL 55 HB VAL 55 -5.474 -1.666 18.011 403 HG11 VAL 55 HG11 VAL 55 -4.667 -0.007 16.496 404 HG12 VAL 55 HG12 VAL 55 -4.263 0.942 17.741 405 HG13 VAL 55 HG13 VAL 55 -5.818 0.610 17.449 406 HG21 VAL 55 HG21 VAL 55 -3.169 -1.832 17.295 407 HG22 VAL 55 HG22 VAL 55 -3.337 -2.470 18.771 408 HG23 VAL 55 HG23 VAL 55 -2.703 -0.993 18.595 409 H ASP 56 H ASP 56 -6.010 1.775 19.873 410 HA ASP 56 HA ASP 56 -3.685 2.666 21.286 411 HB2 ASP 56 HB2 ASP 56 -3.289 4.544 20.048 412 HB3 ASP 56 HB3 ASP 56 -3.496 3.340 18.965 413 H ALA 57 H ALA 57 -5.380 2.022 22.914 414 HA ALA 57 HA ALA 57 -7.415 3.704 23.513 415 HB1 ALA 57 HB1 ALA 57 -7.056 1.566 24.642 416 HB2 ALA 57 HB2 ALA 57 -7.315 2.716 25.750 417 HB3 ALA 57 HB3 ALA 57 -5.810 2.204 25.451 418 H ASP 58 H ASP 58 -4.092 4.262 24.078 419 HA ASP 58 HA ASP 58 -4.479 6.394 25.864 420 HB2 ASP 58 HB2 ASP 58 -2.210 5.184 24.660 421 HB3 ASP 58 HB3 ASP 58 -1.996 6.764 25.011 422 H GLY 59 H GLY 59 -4.981 6.175 22.642 423 HA2 GLY 59 HA2 GLY 59 -5.626 7.805 21.221 424 HA3 GLY 59 HA3 GLY 59 -5.340 8.943 22.357 425 H ASN 60 H ASN 60 -2.800 6.838 21.384 426 HA ASN 60 HA ASN 60 -1.461 9.140 20.400 427 HB2 ASN 60 HB2 ASN 60 0.581 8.024 20.741 428 HB3 ASN 60 HB3 ASN 60 -0.353 7.679 22.036 429 HD21 ASN 60 HD21 ASN 60 1.911 6.253 21.049 430 HD22 ASN 60 HD22 ASN 60 1.340 4.658 20.688 431 H GLY 61 H GLY 61 -3.147 6.726 18.993 432 HA2 GLY 61 HA2 GLY 61 -3.499 6.377 16.825 433 HA3 GLY 61 HA3 GLY 61 -2.571 7.675 16.475 434 H THR 62 H THR 62 -1.264 4.800 17.935 435 HA THR 62 HA THR 62 0.161 4.413 15.485 436 HB THR 62 HB THR 62 1.978 3.429 16.953 437 HG1 THR 62 HG1 THR 62 0.537 2.910 18.635 438 HG21 THR 62 HG21 THR 62 2.751 5.523 17.837 439 HG22 THR 62 HG22 THR 62 1.284 6.170 17.631 440 HG23 THR 62 HG23 THR 62 2.179 5.773 16.345 441 H ILE 63 H ILE 63 0.736 2.305 14.681 442 HA ILE 63 HA ILE 63 -0.447 0.146 16.141 443 HB ILE 63 HB ILE 63 -0.639 0.300 13.232 444 HG12 ILE 63 HG12 ILE 63 -2.820 0.462 15.100 445 HG13 ILE 63 HG13 ILE 63 -2.184 1.754 14.328 446 HG21 ILE 63 HG21 ILE 63 -1.923 -1.776 13.371 447 HG22 ILE 63 HG22 ILE 63 -1.693 -1.815 14.972 448 HG23 ILE 63 HG23 ILE 63 -0.440 -2.019 13.970 449 HD11 ILE 63 HD11 ILE 63 -4.189 1.065 13.252 450 HD12 ILE 63 HD12 ILE 63 -3.569 -0.408 13.010 451 HD13 ILE 63 HD13 ILE 63 -2.939 0.869 12.245 452 H ASP 64 H ASP 64 1.144 -1.277 16.712 453 HA ASP 64 HA ASP 64 3.624 -1.184 15.456 454 HB2 ASP 64 HB2 ASP 64 2.569 -2.996 17.464 455 HB3 ASP 64 HB3 ASP 64 4.111 -3.129 16.944 456 H PHE 65 H PHE 65 4.760 -2.796 14.229 457 HA PHE 65 HA PHE 65 3.348 -4.041 12.330 458 HB2 PHE 65 HB2 PHE 65 5.750 -3.713 12.240 459 HB3 PHE 65 HB3 PHE 65 5.950 -4.904 13.340 460 HD1 PHE 65 HD1 PHE 65 5.735 -7.274 12.690 461 HD2 PHE 65 HD2 PHE 65 5.385 -4.207 9.901 462 HE1 PHE 65 HE1 PHE 65 6.012 -8.876 10.904 463 HE2 PHE 65 HE2 PHE 65 5.660 -5.794 8.106 464 HZ PHE 65 HZ PHE 65 5.990 -8.133 8.605 465 HA PRO 66 HA PRO 66 3.288 -8.182 14.321 466 HB2 PRO 66 HB2 PRO 66 3.132 -7.595 17.183 467 HB3 PRO 66 HB3 PRO 66 3.932 -8.851 16.512 468 HG2 PRO 66 HG2 PRO 66 5.265 -6.955 17.412 469 HG3 PRO 66 HG3 PRO 66 5.694 -7.576 15.963 470 HD2 PRO 66 HD2 PRO 66 4.165 -5.198 16.449 471 HD3 PRO 66 HD3 PRO 66 5.443 -5.367 15.445 472 H GLU 67 H GLU 67 1.688 -5.698 16.083 473 HA GLU 67 HA GLU 67 -0.664 -7.132 16.425 474 HB2 GLU 67 HB2 GLU 67 -0.188 -4.285 16.493 475 HB3 GLU 67 HB3 GLU 67 -1.664 -4.904 16.815 476 HG2 GLU 67 HG2 GLU 67 0.715 -5.348 18.363 477 HG3 GLU 67 HG3 GLU 67 -0.583 -4.477 18.836 478 H PHE 68 H PHE 68 0.402 -4.926 13.968 479 HA PHE 68 HA PHE 68 -1.924 -4.792 12.532 480 HB2 PHE 68 HB2 PHE 68 -0.004 -3.404 12.089 481 HB3 PHE 68 HB3 PHE 68 0.747 -4.688 11.416 482 HD1 PHE 68 HD1 PHE 68 -2.325 -2.781 11.002 483 HD2 PHE 68 HD2 PHE 68 0.704 -4.898 9.087 484 HE1 PHE 68 HE1 PHE 68 -3.302 -2.234 8.866 485 HE2 PHE 68 HE2 PHE 68 -0.255 -4.332 6.943 486 HZ PHE 68 HZ PHE 68 -2.278 -3.027 6.834 487 H LEU 69 H LEU 69 0.695 -7.078 12.302 488 HA LEU 69 HA LEU 69 -0.405 -8.521 10.219 489 HB2 LEU 69 HB2 LEU 69 1.744 -8.916 12.017 490 HB3 LEU 69 HB3 LEU 69 1.142 -10.306 11.405 491 HG LEU 69 HG LEU 69 3.072 -9.556 10.258 492 HD11 LEU 69 HD11 LEU 69 2.216 -9.857 8.005 493 HD12 LEU 69 HD12 LEU 69 0.712 -9.622 8.551 494 HD13 LEU 69 HD13 LEU 69 1.543 -10.931 9.009 495 HD21 LEU 69 HD21 LEU 69 2.980 -7.650 8.817 496 HD22 LEU 69 HD22 LEU 69 2.810 -7.213 10.364 497 HD23 LEU 69 HD23 LEU 69 1.515 -7.287 9.398 498 H THR 70 H THR 70 -0.672 -8.890 13.650 499 HA THR 70 HA THR 70 -1.932 -11.337 13.617 500 HB THR 70 HB THR 70 -2.166 -9.287 15.695 501 HG1 THR 70 HG1 THR 70 -0.029 -9.917 15.271 502 HG21 THR 70 HG21 THR 70 -2.705 -11.069 17.199 503 HG22 THR 70 HG22 THR 70 -2.618 -12.140 15.991 504 HG23 THR 70 HG23 THR 70 -3.807 -11.043 16.016 505 H MET 71 H MET 71 -3.289 -8.110 13.642 506 HA MET 71 HA MET 71 -5.927 -8.939 13.660 507 HB2 MET 71 HB2 MET 71 -4.777 -6.460 12.727 508 HB3 MET 71 HB3 MET 71 -6.393 -6.684 12.778 509 HG2 MET 71 HG2 MET 71 -6.233 -7.037 15.097 510 HG3 MET 71 HG3 MET 71 -4.635 -6.706 15.011 511 HE1 MET 71 HE1 MET 71 -4.353 -2.968 14.439 512 HE2 MET 71 HE2 MET 71 -4.015 -4.221 13.475 513 HE3 MET 71 HE3 MET 71 -3.599 -4.267 15.037 514 H MET 72 H MET 72 -3.706 -8.336 11.078 515 HA MET 72 HA MET 72 -5.537 -8.566 9.030 516 HB2 MET 72 HB2 MET 72 -3.225 -7.651 8.905 517 HB3 MET 72 HB3 MET 72 -2.730 -9.196 8.722 518 HG2 MET 72 HG2 MET 72 -3.688 -9.396 6.748 519 HG3 MET 72 HG3 MET 72 -4.644 -8.094 6.988 520 HE1 MET 72 HE1 MET 72 -2.861 -6.231 4.385 521 HE2 MET 72 HE2 MET 72 -4.224 -6.357 5.245 522 HE3 MET 72 HE3 MET 72 -3.698 -7.614 4.376 523 H ALA 73 H ALA 73 -3.837 -10.972 10.766 524 HA ALA 73 HA ALA 73 -4.042 -13.011 8.969 525 HB1 ALA 73 HB1 ALA 73 -2.694 -13.175 10.992 526 HB2 ALA 73 HB2 ALA 73 -3.635 -14.484 10.867 527 HB3 ALA 73 HB3 ALA 73 -4.041 -13.291 11.880 528 H ARG 74 H ARG 74 -6.462 -11.891 11.185 529 HA ARG 74 HA ARG 74 -8.145 -14.058 10.957 530 HB2 ARG 74 HB2 ARG 74 -8.286 -12.147 12.568 531 HB3 ARG 74 HB3 ARG 74 -9.117 -11.362 11.401 532 HG2 ARG 74 HG2 ARG 74 -10.804 -13.030 11.498 533 HG3 ARG 74 HG3 ARG 74 -9.977 -13.786 12.688 534 HD2 ARG 74 HD2 ARG 74 -10.311 -11.907 14.118 535 HD3 ARG 74 HD3 ARG 74 -11.127 -11.143 12.927 536 HE ARG 74 HE ARG 74 -12.117 -13.249 14.591 537 HH11 ARG 74 HH11 ARG 74 -12.776 -11.251 11.764 538 HH12 ARG 74 HH12 ARG 74 -14.470 -11.610 11.802 539 HH21 ARG 74 HH21 ARG 74 -14.305 -13.639 14.577 540 HH22 ARG 74 HH22 ARG 74 -15.316 -12.933 13.361 541 H LYS 75 H LYS 75 -7.407 -11.837 8.595 542 HA LYS 75 HA LYS 75 -9.849 -11.885 7.260 543 HB2 LYS 75 HB2 LYS 75 -8.254 -10.155 6.833 544 HB3 LYS 75 HB3 LYS 75 -7.224 -11.250 6.192 545 HG2 LYS 75 HG2 LYS 75 -8.244 -9.968 4.481 546 HG3 LYS 75 HG3 LYS 75 -8.662 -11.540 4.337 547 HD2 LYS 75 HD2 LYS 75 -10.717 -10.888 5.613 548 HD3 LYS 75 HD3 LYS 75 -10.327 -9.362 5.185 549 HE2 LYS 75 HE2 LYS 75 -10.664 -9.776 2.982 550 HE3 LYS 75 HE3 LYS 75 -10.558 -11.393 3.186 551 HZ1 LYS 75 HZ1 LYS 75 -12.834 -10.754 2.877 552 HZ2 LYS 75 HZ2 LYS 75 -12.739 -9.770 4.156 553 HZ3 LYS 75 HZ3 LYS 75 -12.635 -11.371 4.357 554 H MET 76 H MET 76 -7.298 -14.115 7.376 555 HA MET 76 HA MET 76 -8.663 -15.789 5.509 556 HB2 MET 76 HB2 MET 76 -7.010 -14.683 4.176 557 HB3 MET 76 HB3 MET 76 -5.847 -15.119 5.238 558 HG2 MET 76 HG2 MET 76 -5.685 -16.408 3.380 559 HG3 MET 76 HG3 MET 76 -6.104 -17.323 4.666 560 HE1 MET 76 HE1 MET 76 -8.724 -16.320 1.105 561 HE2 MET 76 HE2 MET 76 -7.117 -16.147 1.167 562 HE3 MET 76 HE3 MET 76 -8.070 -15.172 2.037 563 H LYS 77 H LYS 77 -8.990 -17.718 6.351 564 HA LYS 77 HA LYS 77 -8.567 -19.640 7.453 565 HB2 LYS 77 HB2 LYS 77 -6.236 -19.346 6.567 566 HB3 LYS 77 HB3 LYS 77 -5.860 -18.952 8.106 567 HG2 LYS 77 HG2 LYS 77 -6.739 -21.196 8.685 568 HG3 LYS 77 HG3 LYS 77 -6.578 -21.518 7.092 569 HD2 LYS 77 HD2 LYS 77 -4.305 -21.119 7.161 570 HD3 LYS 77 HD3 LYS 77 -4.406 -20.493 8.666 571 HE2 LYS 77 HE2 LYS 77 -5.094 -22.693 9.432 572 HE3 LYS 77 HE3 LYS 77 -4.713 -23.257 7.948 573 HZ1 LYS 77 HZ1 LYS 77 -2.891 -23.565 9.429 574 HZ2 LYS 77 HZ2 LYS 77 -2.853 -21.976 9.725 575 HZ3 LYS 77 HZ3 LYS 77 -2.476 -22.535 8.255 576 H ASP 78 H ASP 78 -7.885 -20.482 9.727 577 HA ASP 78 HA ASP 78 -8.232 -20.330 11.927 578 HB2 ASP 78 HB2 ASP 78 -6.869 -17.798 11.720 579 HB3 ASP 78 HB3 ASP 78 -7.017 -18.659 13.100 580 H THR 79 H THR 79 -10.388 -19.770 10.469 581 HA THR 79 HA THR 79 -11.730 -17.554 11.598 582 HB THR 79 HB THR 79 -13.595 -18.355 10.101 583 HG1 THR 79 HG1 THR 79 -11.990 -20.457 10.051 584 HG21 THR 79 HG21 THR 79 -12.496 -17.761 8.054 585 HG22 THR 79 HG22 THR 79 -11.050 -17.963 8.751 586 HG23 THR 79 HG23 THR 79 -12.006 -16.744 9.213 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 3.514 -11.902 12.946 2 H2 ALA 1 H2 ALA 1 3.631 -13.087 11.852 3 H3 ALA 1 H3 ALA 1 4.587 -13.093 13.156 4 HA ALA 1 HA ALA 1 2.748 -13.449 14.545 5 HB1 ALA 1 HB1 ALA 1 1.046 -12.326 13.230 6 HB2 ALA 1 HB2 ALA 1 0.531 -13.807 13.625 7 HB3 ALA 1 HB3 ALA 1 1.095 -13.518 12.139 8 H ASP 2 H ASP 2 2.258 -15.525 15.244 9 HA ASP 2 HA ASP 2 3.927 -17.403 14.101 10 HB2 ASP 2 HB2 ASP 2 1.947 -17.672 16.238 11 HB3 ASP 2 HB3 ASP 2 2.995 -18.877 15.900 12 H GLN 3 H GLN 3 0.876 -16.695 13.196 13 HA GLN 3 HA GLN 3 0.323 -19.368 12.297 14 HB2 GLN 3 HB2 GLN 3 -1.324 -17.885 13.552 15 HB3 GLN 3 HB3 GLN 3 -1.605 -17.246 12.076 16 HG2 GLN 3 HG2 GLN 3 -3.255 -18.853 12.540 17 HG3 GLN 3 HG3 GLN 3 -2.331 -19.388 11.305 18 HE21 GLN 3 HE21 GLN 3 -2.156 -21.532 11.368 19 HE22 GLN 3 HE22 GLN 3 -1.816 -22.426 12.811 20 H LEU 4 H LEU 4 2.260 -17.571 11.017 21 HA LEU 4 HA LEU 4 1.138 -17.647 8.362 22 HB2 LEU 4 HB2 LEU 4 2.739 -15.482 9.416 23 HB3 LEU 4 HB3 LEU 4 2.321 -15.597 7.842 24 HG LEU 4 HG LEU 4 0.425 -15.156 9.953 25 HD11 LEU 4 HD11 LEU 4 0.372 -12.854 9.173 26 HD12 LEU 4 HD12 LEU 4 1.540 -13.191 8.106 27 HD13 LEU 4 HD13 LEU 4 1.859 -13.225 9.692 28 HD21 LEU 4 HD21 LEU 4 -1.132 -14.621 8.214 29 HD22 LEU 4 HD22 LEU 4 -0.615 -16.144 8.052 30 HD23 LEU 4 HD23 LEU 4 -0.018 -14.983 7.099 31 H THR 5 H THR 5 2.618 -18.138 6.625 32 HA THR 5 HA THR 5 4.997 -19.399 7.547 33 HB THR 5 HB THR 5 5.267 -20.089 5.192 34 HG1 THR 5 HG1 THR 5 2.748 -19.117 4.743 35 HG21 THR 5 HG21 THR 5 3.410 -21.612 5.187 36 HG22 THR 5 HG22 THR 5 2.662 -20.728 6.317 37 HG23 THR 5 HG23 THR 5 4.010 -21.539 6.687 38 H GLU 6 H GLU 6 7.159 -18.815 6.842 39 HA GLU 6 HA GLU 6 7.545 -16.108 6.837 40 HB2 GLU 6 HB2 GLU 6 9.877 -16.625 6.489 41 HB3 GLU 6 HB3 GLU 6 9.221 -17.624 7.602 42 HG2 GLU 6 HG2 GLU 6 8.992 -19.278 5.823 43 HG3 GLU 6 HG3 GLU 6 9.908 -18.296 4.894 44 H GLU 7 H GLU 7 7.130 -18.141 4.149 45 HA GLU 7 HA GLU 7 8.203 -16.533 2.191 46 HB2 GLU 7 HB2 GLU 7 7.355 -18.842 1.948 47 HB3 GLU 7 HB3 GLU 7 5.856 -18.202 1.849 48 HG2 GLU 7 HG2 GLU 7 6.351 -18.531 -0.308 49 HG3 GLU 7 HG3 GLU 7 6.768 -16.964 -0.116 50 H GLN 8 H GLN 8 5.122 -16.440 3.745 51 HA GLN 8 HA GLN 8 4.080 -14.500 1.974 52 HB2 GLN 8 HB2 GLN 8 2.969 -15.445 4.477 53 HB3 GLN 8 HB3 GLN 8 2.136 -14.571 3.377 54 HG2 GLN 8 HG2 GLN 8 3.147 -17.216 2.822 55 HG3 GLN 8 HG3 GLN 8 1.618 -16.944 3.327 56 HE21 GLN 8 HE21 GLN 8 3.788 -16.802 0.699 57 HE22 GLN 8 HE22 GLN 8 2.610 -16.439 -0.519 58 H ILE 9 H ILE 9 5.883 -14.430 4.812 59 HA ILE 9 HA ILE 9 5.113 -11.949 5.753 60 HB ILE 9 HB ILE 9 7.706 -13.234 6.152 61 HG12 ILE 9 HG12 ILE 9 5.966 -14.572 7.006 62 HG13 ILE 9 HG13 ILE 9 6.894 -14.011 8.227 63 HG21 ILE 9 HG21 ILE 9 8.032 -11.789 8.075 64 HG22 ILE 9 HG22 ILE 9 6.651 -11.021 7.734 65 HG23 ILE 9 HG23 ILE 9 7.912 -10.900 6.729 66 HD11 ILE 9 HD11 ILE 9 4.597 -13.947 8.853 67 HD12 ILE 9 HD12 ILE 9 4.261 -12.995 7.589 68 HD13 ILE 9 HD13 ILE 9 5.180 -12.440 8.799 69 H ALA 10 H ALA 10 7.280 -12.961 3.281 70 HA ALA 10 HA ALA 10 8.752 -10.695 2.979 71 HB1 ALA 10 HB1 ALA 10 9.248 -12.745 1.769 72 HB2 ALA 10 HB2 ALA 10 9.224 -11.508 0.730 73 HB3 ALA 10 HB3 ALA 10 7.957 -12.507 0.826 74 H GLU 11 H GLU 11 5.791 -11.461 1.262 75 HA GLU 11 HA GLU 11 5.627 -9.036 -0.072 76 HB2 GLU 11 HB2 GLU 11 4.385 -11.029 -0.695 77 HB3 GLU 11 HB3 GLU 11 3.416 -10.794 0.599 78 HG2 GLU 11 HG2 GLU 11 2.614 -8.784 -0.374 79 HG3 GLU 11 HG3 GLU 11 3.571 -9.036 -1.674 80 H PHE 12 H PHE 12 4.353 -10.093 2.956 81 HA PHE 12 HA PHE 12 2.747 -7.916 3.468 82 HB2 PHE 12 HB2 PHE 12 2.792 -10.042 4.713 83 HB3 PHE 12 HB3 PHE 12 4.090 -9.462 5.515 84 HD1 PHE 12 HD1 PHE 12 0.566 -9.309 5.218 85 HD2 PHE 12 HD2 PHE 12 3.841 -7.632 7.157 86 HE1 PHE 12 HE1 PHE 12 -0.918 -8.268 6.801 87 HE2 PHE 12 HE2 PHE 12 2.364 -6.573 8.744 88 HZ PHE 12 HZ PHE 12 -0.021 -6.912 8.582 89 H LYS 13 H LYS 13 6.087 -8.467 4.138 90 HA LYS 13 HA LYS 13 6.532 -6.181 5.626 91 HB2 LYS 13 HB2 LYS 13 8.048 -8.080 5.503 92 HB3 LYS 13 HB3 LYS 13 8.487 -7.582 4.011 93 HG2 LYS 13 HG2 LYS 13 9.241 -5.499 5.109 94 HG3 LYS 13 HG3 LYS 13 9.116 -6.325 6.513 95 HD2 LYS 13 HD2 LYS 13 11.304 -6.558 5.929 96 HD3 LYS 13 HD3 LYS 13 10.626 -7.978 5.492 97 HE2 LYS 13 HE2 LYS 13 10.481 -7.220 3.232 98 HE3 LYS 13 HE3 LYS 13 11.139 -5.789 3.664 99 HZ1 LYS 13 HZ1 LYS 13 12.776 -7.176 2.679 100 HZ2 LYS 13 HZ2 LYS 13 12.505 -8.312 3.797 101 HZ3 LYS 13 HZ3 LYS 13 13.156 -6.896 4.225 102 H GLU 14 H GLU 14 6.717 -6.781 2.203 103 HA GLU 14 HA GLU 14 7.846 -4.358 1.536 104 HB2 GLU 14 HB2 GLU 14 6.231 -6.123 -0.050 105 HB3 GLU 14 HB3 GLU 14 6.827 -4.741 -0.684 106 HG2 GLU 14 HG2 GLU 14 9.043 -5.528 -0.169 107 HG3 GLU 14 HG3 GLU 14 8.387 -6.948 0.302 108 H ALA 15 H ALA 15 4.480 -5.284 1.884 109 HA ALA 15 HA ALA 15 3.453 -2.831 1.155 110 HB1 ALA 15 HB1 ALA 15 2.041 -4.765 1.339 111 HB2 ALA 15 HB2 ALA 15 1.408 -3.561 2.211 112 HB3 ALA 15 HB3 ALA 15 2.216 -4.753 2.945 113 H PHE 16 H PHE 16 4.528 -4.013 4.228 114 HA PHE 16 HA PHE 16 3.626 -1.890 5.759 115 HB2 PHE 16 HB2 PHE 16 4.429 -4.057 6.597 116 HB3 PHE 16 HB3 PHE 16 5.948 -3.494 6.390 117 HD1 PHE 16 HD1 PHE 16 6.843 -1.719 7.864 118 HD2 PHE 16 HD2 PHE 16 3.075 -3.379 8.479 119 HE1 PHE 16 HE1 PHE 16 6.798 -0.785 10.082 120 HE2 PHE 16 HE2 PHE 16 3.028 -2.457 10.712 121 HZ PHE 16 HZ PHE 16 4.903 -1.171 11.521 122 H SER 17 H SER 17 6.623 -2.420 4.113 123 HA SER 17 HA SER 17 7.911 -0.189 5.050 124 HB2 SER 17 HB2 SER 17 9.569 -0.603 3.348 125 HB3 SER 17 HB3 SER 17 9.098 -2.027 3.996 126 HG SER 17 HG SER 17 8.614 -1.021 1.521 127 H LEU 18 H LEU 18 5.432 -0.265 2.853 128 HA LEU 18 HA LEU 18 6.170 2.121 1.550 129 HB2 LEU 18 HB2 LEU 18 3.653 0.696 1.526 130 HB3 LEU 18 HB3 LEU 18 3.919 2.013 0.598 131 HG LEU 18 HG LEU 18 5.410 -0.423 0.301 132 HD11 LEU 18 HD11 LEU 18 4.018 -0.882 -1.622 133 HD12 LEU 18 HD12 LEU 18 3.127 0.424 -1.286 134 HD13 LEU 18 HD13 LEU 18 3.117 -0.842 -0.281 135 HD21 LEU 18 HD21 LEU 18 6.114 0.489 -1.807 136 HD22 LEU 18 HD22 LEU 18 6.571 1.461 -0.598 137 HD23 LEU 18 HD23 LEU 18 5.285 1.843 -1.502 138 H PHE 19 H PHE 19 4.691 1.376 4.475 139 HA PHE 19 HA PHE 19 3.730 4.050 4.674 140 HB2 PHE 19 HB2 PHE 19 2.440 1.678 5.780 141 HB3 PHE 19 HB3 PHE 19 1.892 3.181 6.109 142 HD1 PHE 19 HD1 PHE 19 0.821 4.543 4.326 143 HD2 PHE 19 HD2 PHE 19 1.885 0.571 3.714 144 HE1 PHE 19 HE1 PHE 19 -0.526 4.496 2.325 145 HE2 PHE 19 HE2 PHE 19 0.542 0.505 1.714 146 HZ PHE 19 HZ PHE 19 -0.687 2.463 1.027 147 H ASP 20 H ASP 20 5.931 2.157 6.100 148 HA ASP 20 HA ASP 20 5.788 3.300 8.713 149 HB2 ASP 20 HB2 ASP 20 7.788 2.118 9.179 150 HB3 ASP 20 HB3 ASP 20 6.662 1.128 8.530 151 H LYS 21 H LYS 21 5.622 5.270 7.113 152 HA LYS 21 HA LYS 21 7.908 6.352 6.026 153 HB2 LYS 21 HB2 LYS 21 5.494 6.755 5.502 154 HB3 LYS 21 HB3 LYS 21 5.466 7.739 6.806 155 HG2 LYS 21 HG2 LYS 21 7.020 9.183 5.677 156 HG3 LYS 21 HG3 LYS 21 6.870 8.239 4.352 157 HD2 LYS 21 HD2 LYS 21 4.643 9.591 5.595 158 HD3 LYS 21 HD3 LYS 21 5.420 10.174 4.282 159 HE2 LYS 21 HE2 LYS 21 4.692 8.348 2.983 160 HE3 LYS 21 HE3 LYS 21 4.033 7.634 4.295 161 HZ1 LYS 21 HZ1 LYS 21 2.356 8.663 2.997 162 HZ2 LYS 21 HZ2 LYS 21 3.102 10.091 3.142 163 HZ3 LYS 21 HZ3 LYS 21 2.450 9.384 4.441 164 H ASP 22 H ASP 22 6.787 6.532 9.169 165 HA ASP 22 HA ASP 22 7.985 8.978 9.773 166 HB2 ASP 22 HB2 ASP 22 6.909 6.931 11.463 167 HB3 ASP 22 HB3 ASP 22 7.652 8.231 12.116 168 H GLY 23 H GLY 23 9.214 5.895 9.336 169 HA2 GLY 23 HA2 GLY 23 11.446 5.547 8.973 170 HA3 GLY 23 HA3 GLY 23 11.830 6.922 9.766 171 H ASP 24 H ASP 24 9.949 5.512 11.873 172 HA ASP 24 HA ASP 24 12.149 4.262 13.209 173 HB2 ASP 24 HB2 ASP 24 10.876 4.523 15.225 174 HB3 ASP 24 HB3 ASP 24 10.999 5.955 14.450 175 H GLY 25 H GLY 25 9.666 3.370 11.337 176 HA2 GLY 25 HA2 GLY 25 9.201 1.160 10.824 177 HA3 GLY 25 HA3 GLY 25 9.781 0.664 12.269 178 H THR 26 H THR 26 7.804 3.230 12.699 179 HA THR 26 HA THR 26 5.593 1.552 13.500 180 HB THR 26 HB THR 26 5.972 4.319 14.324 181 HG1 THR 26 HG1 THR 26 7.567 2.312 14.893 182 HG21 THR 26 HG21 THR 26 4.768 3.697 16.252 183 HG22 THR 26 HG22 THR 26 4.678 2.170 15.728 184 HG23 THR 26 HG23 THR 26 3.888 3.341 14.943 185 H ILE 27 H ILE 27 3.409 2.052 12.832 186 HA ILE 27 HA ILE 27 3.327 3.976 10.680 187 HB ILE 27 HB ILE 27 1.558 2.745 9.609 188 HG12 ILE 27 HG12 ILE 27 1.807 0.713 11.619 189 HG13 ILE 27 HG13 ILE 27 0.620 1.835 11.640 190 HG21 ILE 27 HG21 ILE 27 2.838 0.825 8.904 191 HG22 ILE 27 HG22 ILE 27 3.844 1.031 10.152 192 HG23 ILE 27 HG23 ILE 27 3.793 2.128 8.966 193 HD11 ILE 27 HD11 ILE 27 -0.215 -0.219 10.709 194 HD12 ILE 27 HD12 ILE 27 0.921 -0.173 9.558 195 HD13 ILE 27 HD13 ILE 27 -0.255 0.937 9.579 196 H THR 28 H THR 28 1.273 5.263 10.455 197 HA THR 28 HA THR 28 0.358 5.871 13.057 198 HB THR 28 HB THR 28 -0.817 7.763 12.031 199 HG1 THR 28 HG1 THR 28 -0.463 8.005 9.728 200 HG21 THR 28 HG21 THR 28 1.081 8.922 11.133 201 HG22 THR 28 HG22 THR 28 1.879 7.524 10.971 202 HG23 THR 28 HG23 THR 28 1.551 8.101 12.445 203 H THR 29 H THR 29 -1.861 5.773 13.833 204 HA THR 29 HA THR 29 -3.288 3.626 12.915 205 HB THR 29 HB THR 29 -5.196 4.617 14.239 206 HG1 THR 29 HG1 THR 29 -4.186 6.435 15.550 207 HG21 THR 29 HG21 THR 29 -4.119 4.353 16.361 208 HG22 THR 29 HG22 THR 29 -2.667 4.452 15.657 209 HG23 THR 29 HG23 THR 29 -3.616 3.174 15.375 210 H LYS 30 H LYS 30 -3.241 6.860 11.906 211 HA LYS 30 HA LYS 30 -5.661 6.949 10.610 212 HB2 LYS 30 HB2 LYS 30 -3.237 8.474 10.122 213 HB3 LYS 30 HB3 LYS 30 -4.656 8.873 9.419 214 HG2 LYS 30 HG2 LYS 30 -5.574 9.346 11.558 215 HG3 LYS 30 HG3 LYS 30 -4.147 8.961 12.252 216 HD2 LYS 30 HD2 LYS 30 -4.187 11.269 12.112 217 HD3 LYS 30 HD3 LYS 30 -3.141 10.765 10.963 218 HE2 LYS 30 HE2 LYS 30 -4.873 11.013 9.313 219 HE3 LYS 30 HE3 LYS 30 -5.873 11.581 10.471 220 HZ1 LYS 30 HZ1 LYS 30 -4.932 13.376 9.253 221 HZ2 LYS 30 HZ2 LYS 30 -3.444 12.877 9.643 222 HZ3 LYS 30 HZ3 LYS 30 -4.435 13.439 10.791 223 H GLU 31 H GLU 31 -2.638 5.746 9.568 224 HA GLU 31 HA GLU 31 -3.651 5.444 6.893 225 HB2 GLU 31 HB2 GLU 31 -0.920 5.504 7.841 226 HB3 GLU 31 HB3 GLU 31 -1.272 5.057 6.310 227 HG2 GLU 31 HG2 GLU 31 -2.181 7.206 5.867 228 HG3 GLU 31 HG3 GLU 31 -1.906 7.657 7.413 229 H LEU 32 H LEU 32 -3.852 3.735 9.461 230 HA LEU 32 HA LEU 32 -2.759 1.283 9.038 231 HB2 LEU 32 HB2 LEU 32 -4.032 2.043 10.981 232 HB3 LEU 32 HB3 LEU 32 -5.397 1.779 10.126 233 HG LEU 32 HG LEU 32 -3.701 -0.278 11.145 234 HD11 LEU 32 HD11 LEU 32 -5.591 -0.607 12.727 235 HD12 LEU 32 HD12 LEU 32 -6.363 0.632 12.031 236 HD13 LEU 32 HD13 LEU 32 -5.012 0.895 12.879 237 HD21 LEU 32 HD21 LEU 32 -5.378 -1.861 10.637 238 HD22 LEU 32 HD22 LEU 32 -4.809 -1.167 9.293 239 HD23 LEU 32 HD23 LEU 32 -6.240 -0.714 9.892 240 H GLY 33 H GLY 33 -5.923 2.305 7.954 241 HA2 GLY 33 HA2 GLY 33 -6.568 -0.077 6.723 242 HA3 GLY 33 HA3 GLY 33 -7.268 1.366 6.416 243 H THR 34 H THR 34 -4.677 2.505 5.559 244 HA THR 34 HA THR 34 -4.997 1.948 2.886 245 HB THR 34 HB THR 34 -2.492 3.142 3.565 246 HG1 THR 34 HG1 THR 34 -3.132 4.409 5.044 247 HG21 THR 34 HG21 THR 34 -3.242 4.873 2.088 248 HG22 THR 34 HG22 THR 34 -4.719 4.216 2.040 249 HG23 THR 34 HG23 THR 34 -3.467 3.444 1.365 250 H VAL 35 H VAL 35 -2.925 0.592 5.247 251 HA VAL 35 HA VAL 35 -1.051 -0.471 3.533 252 HB VAL 35 HB VAL 35 -1.775 -1.657 6.094 253 HG11 VAL 35 HG11 VAL 35 0.484 -2.525 6.122 254 HG12 VAL 35 HG12 VAL 35 0.758 -1.866 4.671 255 HG13 VAL 35 HG13 VAL 35 -0.300 -3.080 4.821 256 HG21 VAL 35 HG21 VAL 35 -0.096 -0.276 7.107 257 HG22 VAL 35 HG22 VAL 35 -1.248 0.645 6.444 258 HG23 VAL 35 HG23 VAL 35 0.168 0.452 5.689 259 H MET 36 H MET 36 -3.946 -1.904 4.927 260 HA MET 36 HA MET 36 -3.706 -4.268 3.489 261 HB2 MET 36 HB2 MET 36 -6.106 -3.198 4.692 262 HB3 MET 36 HB3 MET 36 -5.967 -4.736 4.160 263 HG2 MET 36 HG2 MET 36 -5.507 -5.198 6.167 264 HG3 MET 36 HG3 MET 36 -4.016 -4.654 5.782 265 HE1 MET 36 HE1 MET 36 -7.157 -2.507 8.234 266 HE2 MET 36 HE2 MET 36 -7.117 -4.096 7.938 267 HE3 MET 36 HE3 MET 36 -7.480 -3.061 6.750 268 H ARG 37 H ARG 37 -5.168 -1.237 2.799 269 HA ARG 37 HA ARG 37 -6.671 -2.022 0.616 270 HB2 ARG 37 HB2 ARG 37 -7.005 0.095 1.630 271 HB3 ARG 37 HB3 ARG 37 -5.532 0.586 1.121 272 HG2 ARG 37 HG2 ARG 37 -7.165 1.558 -0.240 273 HG3 ARG 37 HG3 ARG 37 -6.304 0.495 -1.131 274 HD2 ARG 37 HD2 ARG 37 -8.094 -1.126 -0.775 275 HD3 ARG 37 HD3 ARG 37 -8.969 0.077 -0.100 276 HE ARG 37 HE ARG 37 -8.370 -0.244 -2.881 277 HH11 ARG 37 HH11 ARG 37 -9.864 1.822 -0.446 278 HH12 ARG 37 HH12 ARG 37 -10.718 2.742 -1.639 279 HH21 ARG 37 HH21 ARG 37 -9.478 0.983 -4.332 280 HH22 ARG 37 HH22 ARG 37 -10.503 2.275 -3.801 281 H SER 38 H SER 38 -3.343 -1.133 0.896 282 HA SER 38 HA SER 38 -2.740 -1.021 -1.787 283 HB2 SER 38 HB2 SER 38 -1.193 -0.338 -0.017 284 HB3 SER 38 HB3 SER 38 -0.888 -1.916 0.273 285 HG SER 38 HG SER 38 -0.365 -0.570 -2.074 286 H LEU 39 H LEU 39 -3.054 -3.685 0.359 287 HA LEU 39 HA LEU 39 -2.173 -5.598 -1.526 288 HB2 LEU 39 HB2 LEU 39 -3.388 -5.959 1.079 289 HB3 LEU 39 HB3 LEU 39 -2.815 -7.208 0.196 290 HG LEU 39 HG LEU 39 -1.113 -5.109 1.184 291 HD11 LEU 39 HD11 LEU 39 -0.453 -6.641 2.932 292 HD12 LEU 39 HD12 LEU 39 -1.555 -7.707 2.415 293 HD13 LEU 39 HD13 LEU 39 -2.029 -6.302 3.061 294 HD21 LEU 39 HD21 LEU 39 0.684 -6.624 0.683 295 HD22 LEU 39 HD22 LEU 39 -0.157 -6.300 -0.659 296 HD23 LEU 39 HD23 LEU 39 -0.376 -7.703 0.115 297 H GLY 40 H GLY 40 -4.840 -3.887 -1.516 298 HA2 GLY 40 HA2 GLY 40 -6.571 -4.245 -2.975 299 HA3 GLY 40 HA3 GLY 40 -6.246 -5.845 -3.030 300 H GLN 41 H GLN 41 -6.401 -5.203 0.148 301 HA GLN 41 HA GLN 41 -8.896 -6.417 0.422 302 HB2 GLN 41 HB2 GLN 41 -7.135 -6.500 2.095 303 HB3 GLN 41 HB3 GLN 41 -7.542 -4.974 2.514 304 HG2 GLN 41 HG2 GLN 41 -9.679 -5.725 3.219 305 HG3 GLN 41 HG3 GLN 41 -9.301 -7.249 2.769 306 HE21 GLN 41 HE21 GLN 41 -9.939 -5.739 5.369 307 HE22 GLN 41 HE22 GLN 41 -8.763 -6.384 6.463 308 H ASN 42 H ASN 42 -10.947 -5.575 0.993 309 HA ASN 42 HA ASN 42 -11.149 -2.695 0.831 310 HB2 ASN 42 HB2 ASN 42 -11.947 -3.990 -1.153 311 HB3 ASN 42 HB3 ASN 42 -13.210 -4.423 -0.212 312 HD21 ASN 42 HD21 ASN 42 -13.307 -3.024 -2.667 313 HD22 ASN 42 HD22 ASN 42 -14.001 -1.474 -2.328 314 HA PRO 43 HA PRO 43 -13.148 -3.984 4.664 315 HB2 PRO 43 HB2 PRO 43 -12.016 -2.290 6.362 316 HB3 PRO 43 HB3 PRO 43 -11.157 -3.600 5.900 317 HG2 PRO 43 HG2 PRO 43 -11.026 -0.965 4.833 318 HG3 PRO 43 HG3 PRO 43 -9.786 -1.915 5.307 319 HD2 PRO 43 HD2 PRO 43 -10.432 -1.770 2.790 320 HD3 PRO 43 HD3 PRO 43 -9.874 -3.173 3.412 321 H THR 44 H THR 44 -14.716 -2.958 6.086 322 HA THR 44 HA THR 44 -16.074 -1.057 4.548 323 HB THR 44 HB THR 44 -17.224 -1.411 7.113 324 HG1 THR 44 HG1 THR 44 -17.007 -3.713 5.618 325 HG21 THR 44 HG21 THR 44 -19.150 -2.058 5.817 326 HG22 THR 44 HG22 THR 44 -18.240 -2.143 4.483 327 HG23 THR 44 HG23 THR 44 -18.528 -0.711 5.174 328 H GLU 45 H GLU 45 -16.876 1.076 5.346 329 HA GLU 45 HA GLU 45 -14.839 2.596 6.389 330 HB2 GLU 45 HB2 GLU 45 -16.779 3.362 5.080 331 HB3 GLU 45 HB3 GLU 45 -17.652 3.294 6.459 332 HG2 GLU 45 HG2 GLU 45 -16.392 5.017 7.384 333 HG3 GLU 45 HG3 GLU 45 -15.417 5.041 6.074 334 H ALA 46 H ALA 46 -17.608 1.280 8.033 335 HA ALA 46 HA ALA 46 -16.925 2.424 10.494 336 HB1 ALA 46 HB1 ALA 46 -19.215 1.767 10.016 337 HB2 ALA 46 HB2 ALA 46 -18.731 1.039 11.376 338 HB3 ALA 46 HB3 ALA 46 -18.770 0.212 9.986 339 H GLU 47 H GLU 47 -16.179 -0.530 8.959 340 HA GLU 47 HA GLU 47 -15.311 -2.005 11.128 341 HB2 GLU 47 HB2 GLU 47 -15.716 -2.859 8.883 342 HB3 GLU 47 HB3 GLU 47 -14.312 -2.169 8.411 343 HG2 GLU 47 HG2 GLU 47 -13.136 -3.658 9.844 344 HG3 GLU 47 HG3 GLU 47 -14.550 -4.380 10.223 345 H LEU 48 H LEU 48 -13.718 0.328 9.177 346 HA LEU 48 HA LEU 48 -11.170 -0.143 10.063 347 HB2 LEU 48 HB2 LEU 48 -12.400 2.198 8.903 348 HB3 LEU 48 HB3 LEU 48 -10.816 2.238 9.299 349 HG LEU 48 HG LEU 48 -11.880 0.354 7.402 350 HD11 LEU 48 HD11 LEU 48 -11.026 1.789 5.669 351 HD12 LEU 48 HD12 LEU 48 -10.609 2.887 6.781 352 HD13 LEU 48 HD13 LEU 48 -12.170 2.561 6.513 353 HD21 LEU 48 HD21 LEU 48 -9.579 0.037 6.777 354 HD22 LEU 48 HD22 LEU 48 -9.779 -0.314 8.344 355 HD23 LEU 48 HD23 LEU 48 -9.121 1.098 7.908 356 H GLN 49 H GLN 49 -13.670 1.625 11.580 357 HA GLN 49 HA GLN 49 -11.955 3.012 13.311 358 HB2 GLN 49 HB2 GLN 49 -14.253 3.689 12.780 359 HB3 GLN 49 HB3 GLN 49 -14.766 2.502 13.778 360 HG2 GLN 49 HG2 GLN 49 -13.780 3.589 15.616 361 HG3 GLN 49 HG3 GLN 49 -13.192 4.753 14.632 362 HE21 GLN 49 HE21 GLN 49 -14.394 6.496 14.049 363 HE22 GLN 49 HE22 GLN 49 -16.021 6.716 14.600 364 H ASP 50 H ASP 50 -13.592 0.003 13.416 365 HA ASP 50 HA ASP 50 -13.511 -0.441 16.090 366 HB2 ASP 50 HB2 ASP 50 -14.757 -1.797 14.480 367 HB3 ASP 50 HB3 ASP 50 -13.354 -2.510 14.042 368 H MET 51 H MET 51 -11.124 -1.652 13.786 369 HA MET 51 HA MET 51 -9.690 -2.804 15.844 370 HB2 MET 51 HB2 MET 51 -8.009 -3.382 14.316 371 HB3 MET 51 HB3 MET 51 -9.460 -3.606 13.599 372 HG2 MET 51 HG2 MET 51 -7.967 -1.252 13.160 373 HG3 MET 51 HG3 MET 51 -7.633 -2.614 12.322 374 HE1 MET 51 HE1 MET 51 -10.703 -3.180 10.116 375 HE2 MET 51 HE2 MET 51 -10.270 -3.950 11.471 376 HE3 MET 51 HE3 MET 51 -9.160 -3.611 10.343 377 H ILE 52 H ILE 52 -9.684 0.383 14.694 378 HA ILE 52 HA ILE 52 -7.163 1.084 15.622 379 HB ILE 52 HB ILE 52 -9.447 2.812 15.124 380 HG12 ILE 52 HG12 ILE 52 -6.968 2.630 13.660 381 HG13 ILE 52 HG13 ILE 52 -8.303 1.788 13.239 382 HG21 ILE 52 HG21 ILE 52 -7.997 4.739 15.417 383 HG22 ILE 52 HG22 ILE 52 -6.787 3.769 15.873 384 HG23 ILE 52 HG23 ILE 52 -8.096 3.923 16.809 385 HD11 ILE 52 HD11 ILE 52 -8.086 3.726 11.845 386 HD12 ILE 52 HD12 ILE 52 -8.111 4.684 13.148 387 HD13 ILE 52 HD13 ILE 52 -9.434 3.850 12.731 388 H ASN 53 H ASN 53 -10.340 1.083 17.073 389 HA ASN 53 HA ASN 53 -9.570 2.276 19.437 390 HB2 ASN 53 HB2 ASN 53 -11.830 0.520 18.943 391 HB3 ASN 53 HB3 ASN 53 -11.661 1.341 20.346 392 HD21 ASN 53 HD21 ASN 53 -13.682 1.350 18.177 393 HD22 ASN 53 HD22 ASN 53 -13.851 3.028 17.780 394 H GLU 54 H GLU 54 -9.472 -0.977 18.387 395 HA GLU 54 HA GLU 54 -8.978 -2.068 20.917 396 HB2 GLU 54 HB2 GLU 54 -9.928 -3.380 19.131 397 HB3 GLU 54 HB3 GLU 54 -8.542 -3.224 18.281 398 HG2 GLU 54 HG2 GLU 54 -8.269 -5.287 19.045 399 HG3 GLU 54 HG3 GLU 54 -7.553 -4.459 20.258 400 H VAL 55 H VAL 55 -6.927 -1.223 18.230 401 HA VAL 55 HA VAL 55 -4.676 -2.291 19.511 402 HB VAL 55 HB VAL 55 -4.958 -2.186 17.013 403 HG11 VAL 55 HG11 VAL 55 -4.229 -0.217 15.867 404 HG12 VAL 55 HG12 VAL 55 -4.062 0.552 17.280 405 HG13 VAL 55 HG13 VAL 55 -5.531 0.113 16.767 406 HG21 VAL 55 HG21 VAL 55 -2.626 -1.990 16.542 407 HG22 VAL 55 HG22 VAL 55 -2.861 -2.876 17.875 408 HG23 VAL 55 HG23 VAL 55 -2.385 -1.336 18.001 409 H ASP 56 H ASP 56 -6.053 0.790 19.376 410 HA ASP 56 HA ASP 56 -3.716 1.917 20.612 411 HB2 ASP 56 HB2 ASP 56 -4.498 2.956 18.541 412 HB3 ASP 56 HB3 ASP 56 -5.833 3.434 19.351 413 H ALA 57 H ALA 57 -4.968 0.483 22.351 414 HA ALA 57 HA ALA 57 -7.044 1.683 23.673 415 HB1 ALA 57 HB1 ALA 57 -6.392 -0.623 24.080 416 HB2 ALA 57 HB2 ALA 57 -6.493 0.154 25.493 417 HB3 ALA 57 HB3 ALA 57 -5.048 -0.117 24.822 418 H ASP 58 H ASP 58 -3.715 2.381 23.800 419 HA ASP 58 HA ASP 58 -3.883 3.883 26.171 420 HB2 ASP 58 HB2 ASP 58 -1.735 3.433 24.289 421 HB3 ASP 58 HB3 ASP 58 -1.530 4.541 25.472 422 H GLY 59 H GLY 59 -4.481 4.587 22.944 423 HA2 GLY 59 HA2 GLY 59 -5.210 6.549 22.073 424 HA3 GLY 59 HA3 GLY 59 -5.059 7.274 23.529 425 H ASN 60 H ASN 60 -2.530 5.738 21.733 426 HA ASN 60 HA ASN 60 -1.083 8.189 21.808 427 HB2 ASN 60 HB2 ASN 60 0.900 6.815 21.472 428 HB3 ASN 60 HB3 ASN 60 0.038 6.295 22.758 429 HD21 ASN 60 HD21 ASN 60 0.012 4.166 22.964 430 HD22 ASN 60 HD22 ASN 60 -0.077 3.068 21.628 431 H GLY 61 H GLY 61 -2.648 6.332 19.499 432 HA2 GLY 61 HA2 GLY 61 -3.062 7.008 17.383 433 HA3 GLY 61 HA3 GLY 61 -1.972 8.217 17.518 434 H THR 62 H THR 62 -0.445 5.378 18.207 435 HA THR 62 HA THR 62 0.409 5.076 15.484 436 HB THR 62 HB THR 62 2.718 4.660 16.429 437 HG1 THR 62 HG1 THR 62 1.959 4.299 18.547 438 HG21 THR 62 HG21 THR 62 3.239 6.994 16.703 439 HG22 THR 62 HG22 THR 62 1.670 7.339 16.880 440 HG23 THR 62 HG23 THR 62 2.231 6.836 15.450 441 H ILE 63 H ILE 63 1.556 2.983 14.951 442 HA ILE 63 HA ILE 63 0.752 0.894 16.716 443 HB ILE 63 HB ILE 63 0.343 0.688 13.814 444 HG12 ILE 63 HG12 ILE 63 -1.796 0.851 15.729 445 HG13 ILE 63 HG13 ILE 63 -1.246 2.157 14.916 446 HG21 ILE 63 HG21 ILE 63 -0.769 -1.425 14.261 447 HG22 ILE 63 HG22 ILE 63 -0.446 -1.265 15.837 448 HG23 ILE 63 HG23 ILE 63 0.759 -1.492 14.784 449 HD11 ILE 63 HD11 ILE 63 -3.196 1.312 13.883 450 HD12 ILE 63 HD12 ILE 63 -2.484 -0.126 13.679 451 HD13 ILE 63 HD13 ILE 63 -1.939 1.168 12.875 452 H ASP 64 H ASP 64 2.467 -0.375 17.257 453 HA ASP 64 HA ASP 64 4.799 -0.269 15.698 454 HB2 ASP 64 HB2 ASP 64 4.154 -1.588 18.190 455 HB3 ASP 64 HB3 ASP 64 5.585 -1.914 17.472 456 H PHE 65 H PHE 65 6.124 -2.384 15.336 457 HA PHE 65 HA PHE 65 4.909 -3.720 13.414 458 HB2 PHE 65 HB2 PHE 65 7.159 -4.606 15.058 459 HB3 PHE 65 HB3 PHE 65 6.734 -5.479 13.745 460 HD1 PHE 65 HD1 PHE 65 8.610 -2.746 14.877 461 HD2 PHE 65 HD2 PHE 65 6.930 -4.420 11.458 462 HE1 PHE 65 HE1 PHE 65 10.108 -1.443 13.510 463 HE2 PHE 65 HE2 PHE 65 8.426 -3.123 10.080 464 HZ PHE 65 HZ PHE 65 10.014 -1.629 11.105 465 HA PRO 66 HA PRO 66 3.981 -7.492 15.590 466 HB2 PRO 66 HB2 PRO 66 3.851 -7.835 18.250 467 HB3 PRO 66 HB3 PRO 66 5.301 -7.950 17.509 468 HG2 PRO 66 HG2 PRO 66 4.200 -5.740 18.875 469 HG3 PRO 66 HG3 PRO 66 5.714 -6.343 18.976 470 HD2 PRO 66 HD2 PRO 66 5.189 -4.243 17.482 471 HD3 PRO 66 HD3 PRO 66 6.387 -5.279 17.085 472 H GLU 67 H GLU 67 2.545 -4.812 17.139 473 HA GLU 67 HA GLU 67 0.125 -6.031 17.661 474 HB2 GLU 67 HB2 GLU 67 0.855 -3.282 17.236 475 HB3 GLU 67 HB3 GLU 67 -0.715 -3.662 17.478 476 HG2 GLU 67 HG2 GLU 67 0.243 -2.951 19.503 477 HG3 GLU 67 HG3 GLU 67 -0.169 -4.527 19.621 478 H PHE 68 H PHE 68 1.280 -4.345 14.853 479 HA PHE 68 HA PHE 68 -1.081 -4.469 13.432 480 HB2 PHE 68 HB2 PHE 68 0.799 -3.037 12.860 481 HB3 PHE 68 HB3 PHE 68 1.568 -4.352 12.269 482 HD1 PHE 68 HD1 PHE 68 -1.533 -2.516 11.803 483 HD2 PHE 68 HD2 PHE 68 1.424 -4.808 9.985 484 HE1 PHE 68 HE1 PHE 68 -2.593 -2.178 9.667 485 HE2 PHE 68 HE2 PHE 68 0.377 -4.464 7.839 486 HZ PHE 68 HZ PHE 68 -1.651 -3.167 7.685 487 H LEU 69 H LEU 69 1.606 -6.660 13.577 488 HA LEU 69 HA LEU 69 0.661 -8.375 11.628 489 HB2 LEU 69 HB2 LEU 69 2.693 -8.488 13.575 490 HB3 LEU 69 HB3 LEU 69 2.117 -9.964 13.177 491 HG LEU 69 HG LEU 69 4.079 -9.546 12.015 492 HD11 LEU 69 HD11 LEU 69 3.325 -9.964 9.744 493 HD12 LEU 69 HD12 LEU 69 1.828 -9.517 10.166 494 HD13 LEU 69 HD13 LEU 69 2.478 -10.859 10.792 495 HD21 LEU 69 HD21 LEU 69 4.300 -7.782 10.418 496 HD22 LEU 69 HD22 LEU 69 4.099 -7.192 11.910 497 HD23 LEU 69 HD23 LEU 69 2.861 -7.199 10.870 498 H THR 70 H THR 70 0.117 -8.232 15.031 499 HA THR 70 HA THR 70 -1.022 -10.712 15.277 500 HB THR 70 HB THR 70 -1.442 -8.391 17.033 501 HG1 THR 70 HG1 THR 70 0.555 -10.216 16.825 502 HG21 THR 70 HG21 THR 70 -2.035 -9.941 18.765 503 HG22 THR 70 HG22 THR 70 -1.861 -11.180 17.742 504 HG23 THR 70 HG23 THR 70 -3.070 -10.126 17.535 505 H MET 71 H MET 71 -2.611 -7.616 14.761 506 HA MET 71 HA MET 71 -5.148 -8.652 15.002 507 HB2 MET 71 HB2 MET 71 -5.979 -6.669 14.030 508 HB3 MET 71 HB3 MET 71 -4.747 -6.291 15.031 509 HG2 MET 71 HG2 MET 71 -3.335 -5.970 13.268 510 HG3 MET 71 HG3 MET 71 -4.460 -6.516 12.218 511 HE1 MET 71 HE1 MET 71 -4.409 -2.466 14.232 512 HE2 MET 71 HE2 MET 71 -3.148 -3.471 14.115 513 HE3 MET 71 HE3 MET 71 -4.389 -3.838 15.086 514 H MET 72 H MET 72 -3.006 -8.654 12.328 515 HA MET 72 HA MET 72 -4.962 -9.338 10.460 516 HB2 MET 72 HB2 MET 72 -2.426 -8.514 10.272 517 HB3 MET 72 HB3 MET 72 -2.348 -10.038 9.690 518 HG2 MET 72 HG2 MET 72 -2.629 -8.545 7.975 519 HG3 MET 72 HG3 MET 72 -3.904 -9.559 8.087 520 HE1 MET 72 HE1 MET 72 -3.912 -5.150 9.272 521 HE2 MET 72 HE2 MET 72 -2.714 -5.873 8.461 522 HE3 MET 72 HE3 MET 72 -2.974 -6.241 10.014 523 H ALA 73 H ALA 73 -3.138 -11.177 12.630 524 HA ALA 73 HA ALA 73 -3.648 -13.629 11.295 525 HB1 ALA 73 HB1 ALA 73 -1.712 -13.479 12.697 526 HB2 ALA 73 HB2 ALA 73 -2.675 -14.647 13.265 527 HB3 ALA 73 HB3 ALA 73 -2.645 -13.200 13.988 528 H ARG 74 H ARG 74 -4.926 -11.806 13.932 529 HA ARG 74 HA ARG 74 -6.585 -13.675 14.969 530 HB2 ARG 74 HB2 ARG 74 -5.959 -11.410 15.890 531 HB3 ARG 74 HB3 ARG 74 -7.207 -10.821 15.018 532 HG2 ARG 74 HG2 ARG 74 -8.735 -11.982 16.301 533 HG3 ARG 74 HG3 ARG 74 -7.543 -12.789 17.071 534 HD2 ARG 74 HD2 ARG 74 -8.162 -11.200 18.585 535 HD3 ARG 74 HD3 ARG 74 -6.822 -10.561 17.901 536 HE ARG 74 HE ARG 74 -8.862 -9.548 16.436 537 HH11 ARG 74 HH11 ARG 74 -9.859 -7.586 16.866 538 HH12 ARG 74 HH12 ARG 74 -9.738 -6.870 18.438 539 HH21 ARG 74 HH21 ARG 74 -7.875 -9.399 19.807 540 HH22 ARG 74 HH22 ARG 74 -8.644 -7.868 20.059 541 H LYS 75 H LYS 75 -7.360 -11.637 12.306 542 HA LYS 75 HA LYS 75 -10.072 -12.356 12.492 543 HB2 LYS 75 HB2 LYS 75 -10.508 -10.702 11.012 544 HB3 LYS 75 HB3 LYS 75 -9.032 -10.214 11.513 545 HG2 LYS 75 HG2 LYS 75 -9.435 -11.665 9.060 546 HG3 LYS 75 HG3 LYS 75 -9.347 -10.036 9.129 547 HD2 LYS 75 HD2 LYS 75 -7.165 -10.211 9.999 548 HD3 LYS 75 HD3 LYS 75 -7.256 -11.836 9.859 549 HE2 LYS 75 HE2 LYS 75 -7.490 -10.079 7.585 550 HE3 LYS 75 HE3 LYS 75 -6.070 -10.758 8.021 551 HZ1 LYS 75 HZ1 LYS 75 -7.093 -12.035 6.302 552 HZ2 LYS 75 HZ2 LYS 75 -8.405 -12.244 7.223 553 HZ3 LYS 75 HZ3 LYS 75 -6.999 -12.916 7.655 554 H MET 76 H MET 76 -7.720 -14.225 11.473 555 HA MET 76 HA MET 76 -9.027 -15.198 9.150 556 HB2 MET 76 HB2 MET 76 -6.582 -15.052 9.314 557 HB3 MET 76 HB3 MET 76 -6.627 -16.261 10.411 558 HG2 MET 76 HG2 MET 76 -5.958 -17.049 8.358 559 HG3 MET 76 HG3 MET 76 -7.362 -17.738 8.831 560 HE1 MET 76 HE1 MET 76 -8.247 -17.725 5.120 561 HE2 MET 76 HE2 MET 76 -8.359 -18.559 6.501 562 HE3 MET 76 HE3 MET 76 -6.907 -18.247 5.859 563 H LYS 77 H LYS 77 -10.053 -17.158 8.749 564 HA LYS 77 HA LYS 77 -10.775 -18.630 11.112 565 HB2 LYS 77 HB2 LYS 77 -12.429 -17.914 9.366 566 HB3 LYS 77 HB3 LYS 77 -11.878 -19.195 8.517 567 HG2 LYS 77 HG2 LYS 77 -12.472 -20.501 10.591 568 HG3 LYS 77 HG3 LYS 77 -13.425 -19.218 10.925 569 HD2 LYS 77 HD2 LYS 77 -14.867 -20.621 9.877 570 HD3 LYS 77 HD3 LYS 77 -14.407 -19.638 8.657 571 HE2 LYS 77 HE2 LYS 77 -12.936 -21.225 7.829 572 HE3 LYS 77 HE3 LYS 77 -13.104 -22.154 9.162 573 HZ1 LYS 77 HZ1 LYS 77 -14.254 -23.119 7.344 574 HZ2 LYS 77 HZ2 LYS 77 -15.143 -21.779 7.175 575 HZ3 LYS 77 HZ3 LYS 77 -15.310 -22.699 8.493 576 H ASP 78 H ASP 78 -10.292 -20.866 11.390 577 HA ASP 78 HA ASP 78 -8.052 -21.828 10.052 578 HB2 ASP 78 HB2 ASP 78 -8.980 -22.462 12.317 579 HB3 ASP 78 HB3 ASP 78 -9.847 -23.571 11.488 580 H THR 79 H THR 79 -7.875 -23.897 8.785 581 HA THR 79 HA THR 79 -9.882 -23.899 6.782 582 HB THR 79 HB THR 79 -8.300 -25.445 5.607 583 HG1 THR 79 HG1 THR 79 -6.157 -25.268 6.750 584 HG21 THR 79 HG21 THR 79 -6.644 -23.751 5.180 585 HG22 THR 79 HG22 THR 79 -7.106 -22.941 6.501 586 HG23 THR 79 HG23 THR 79 -8.096 -23.043 5.226 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 0.281 -18.655 15.754 2 H2 ALA 1 H2 ALA 1 0.216 -17.420 14.712 3 H3 ALA 1 H3 ALA 1 0.565 -18.907 14.182 4 HA ALA 1 HA ALA 1 -1.594 -19.637 14.706 5 HB1 ALA 1 HB1 ALA 1 -2.051 -18.144 16.580 6 HB2 ALA 1 HB2 ALA 1 -3.275 -18.074 15.527 7 HB3 ALA 1 HB3 ALA 1 -2.169 -16.896 15.560 8 H ASP 2 H ASP 2 -0.564 -16.725 13.357 9 HA ASP 2 HA ASP 2 -2.358 -16.341 11.345 10 HB2 ASP 2 HB2 ASP 2 0.401 -15.737 10.843 11 HB3 ASP 2 HB3 ASP 2 -0.878 -14.733 10.691 12 H GLN 3 H GLN 3 -2.768 -17.211 9.365 13 HA GLN 3 HA GLN 3 -1.088 -19.440 8.657 14 HB2 GLN 3 HB2 GLN 3 -3.454 -19.858 8.997 15 HB3 GLN 3 HB3 GLN 3 -3.755 -18.948 7.675 16 HG2 GLN 3 HG2 GLN 3 -2.660 -20.511 6.309 17 HG3 GLN 3 HG3 GLN 3 -2.237 -21.393 7.616 18 HE21 GLN 3 HE21 GLN 3 -3.228 -23.136 6.292 19 HE22 GLN 3 HE22 GLN 3 -4.933 -23.370 6.489 20 H LEU 4 H LEU 4 0.581 -18.205 7.747 21 HA LEU 4 HA LEU 4 -0.043 -17.256 5.087 22 HB2 LEU 4 HB2 LEU 4 1.805 -16.006 6.917 23 HB3 LEU 4 HB3 LEU 4 1.649 -15.567 5.352 24 HG LEU 4 HG LEU 4 -0.432 -15.210 7.302 25 HD11 LEU 4 HD11 LEU 4 0.203 -12.869 7.303 26 HD12 LEU 4 HD12 LEU 4 1.434 -13.205 6.311 27 HD13 LEU 4 HD13 LEU 4 1.438 -13.775 7.824 28 HD21 LEU 4 HD21 LEU 4 -1.469 -13.798 5.670 29 HD22 LEU 4 HD22 LEU 4 -1.306 -15.297 5.087 30 HD23 LEU 4 HD23 LEU 4 -0.286 -14.133 4.621 31 H THR 5 H THR 5 1.583 -17.779 3.471 32 HA THR 5 HA THR 5 3.391 -19.840 4.256 33 HB THR 5 HB THR 5 4.076 -19.410 1.802 34 HG1 THR 5 HG1 THR 5 1.447 -18.567 1.799 35 HG21 THR 5 HG21 THR 5 2.394 -20.995 1.137 36 HG22 THR 5 HG22 THR 5 1.567 -20.712 2.496 37 HG23 THR 5 HG23 THR 5 3.000 -21.458 2.563 38 H GLU 6 H GLU 6 5.717 -19.608 4.314 39 HA GLU 6 HA GLU 6 6.463 -17.184 5.339 40 HB2 GLU 6 HB2 GLU 6 8.711 -18.129 5.395 41 HB3 GLU 6 HB3 GLU 6 7.594 -19.169 5.976 42 HG2 GLU 6 HG2 GLU 6 7.622 -20.271 3.807 43 HG3 GLU 6 HG3 GLU 6 8.900 -19.332 3.415 44 H GLU 7 H GLU 7 6.835 -18.263 2.115 45 HA GLU 7 HA GLU 7 8.607 -16.265 1.327 46 HB2 GLU 7 HB2 GLU 7 8.119 -18.332 0.105 47 HB3 GLU 7 HB3 GLU 7 6.702 -17.661 -0.356 48 HG2 GLU 7 HG2 GLU 7 7.865 -16.043 -1.605 49 HG3 GLU 7 HG3 GLU 7 9.287 -16.690 -1.130 50 H GLN 8 H GLN 8 5.167 -16.359 1.506 51 HA GLN 8 HA GLN 8 4.890 -13.919 0.123 52 HB2 GLN 8 HB2 GLN 8 3.004 -15.711 1.324 53 HB3 GLN 8 HB3 GLN 8 2.490 -14.228 0.872 54 HG2 GLN 8 HG2 GLN 8 2.011 -15.777 -0.859 55 HG3 GLN 8 HG3 GLN 8 3.127 -14.709 -1.390 56 HE21 GLN 8 HE21 GLN 8 4.664 -15.558 -2.639 57 HE22 GLN 8 HE22 GLN 8 5.320 -17.146 -2.417 58 H ILE 9 H ILE 9 5.502 -14.663 3.328 59 HA ILE 9 HA ILE 9 4.352 -12.441 4.537 60 HB ILE 9 HB ILE 9 6.698 -13.918 5.406 61 HG12 ILE 9 HG12 ILE 9 4.022 -13.969 6.499 62 HG13 ILE 9 HG13 ILE 9 4.559 -15.076 5.425 63 HG21 ILE 9 HG21 ILE 9 6.500 -12.815 7.562 64 HG22 ILE 9 HG22 ILE 9 5.302 -11.893 6.988 65 HG23 ILE 9 HG23 ILE 9 6.805 -11.714 6.418 66 HD11 ILE 9 HD11 ILE 9 4.626 -15.987 7.639 67 HD12 ILE 9 HD12 ILE 9 5.598 -14.788 8.120 68 HD13 ILE 9 HD13 ILE 9 6.130 -15.885 7.056 69 H ALA 10 H ALA 10 7.208 -12.931 2.668 70 HA ALA 10 HA ALA 10 8.489 -10.557 3.171 71 HB1 ALA 10 HB1 ALA 10 9.556 -12.364 1.957 72 HB2 ALA 10 HB2 ALA 10 9.694 -11.000 1.099 73 HB3 ALA 10 HB3 ALA 10 8.583 -12.101 0.693 74 H GLU 11 H GLU 11 6.002 -11.293 0.865 75 HA GLU 11 HA GLU 11 5.973 -8.835 -0.438 76 HB2 GLU 11 HB2 GLU 11 4.920 -10.870 -1.257 77 HB3 GLU 11 HB3 GLU 11 3.744 -10.661 -0.144 78 HG2 GLU 11 HG2 GLU 11 3.059 -8.685 -1.241 79 HG3 GLU 11 HG3 GLU 11 4.233 -8.901 -2.357 80 H PHE 12 H PHE 12 4.196 -10.040 2.294 81 HA PHE 12 HA PHE 12 2.595 -7.826 2.671 82 HB2 PHE 12 HB2 PHE 12 2.211 -9.934 3.772 83 HB3 PHE 12 HB3 PHE 12 3.507 -9.651 4.727 84 HD1 PHE 12 HD1 PHE 12 0.201 -8.417 3.965 85 HD2 PHE 12 HD2 PHE 12 3.277 -8.443 6.767 86 HE1 PHE 12 HE1 PHE 12 -1.230 -7.281 5.535 87 HE2 PHE 12 HE2 PHE 12 1.852 -7.301 8.350 88 HZ PHE 12 HZ PHE 12 -0.414 -6.740 7.742 89 H LYS 13 H LYS 13 5.749 -8.606 3.853 90 HA LYS 13 HA LYS 13 6.059 -6.458 5.526 91 HB2 LYS 13 HB2 LYS 13 7.569 -8.357 5.475 92 HB3 LYS 13 HB3 LYS 13 8.202 -7.779 4.085 93 HG2 LYS 13 HG2 LYS 13 8.843 -5.790 5.346 94 HG3 LYS 13 HG3 LYS 13 8.453 -6.622 6.696 95 HD2 LYS 13 HD2 LYS 13 10.100 -8.242 6.168 96 HD3 LYS 13 HD3 LYS 13 10.495 -7.398 4.827 97 HE2 LYS 13 HE2 LYS 13 10.812 -6.440 7.536 98 HE3 LYS 13 HE3 LYS 13 12.039 -6.893 6.558 99 HZ1 LYS 13 HZ1 LYS 13 11.871 -4.518 6.610 100 HZ2 LYS 13 HZ2 LYS 13 10.344 -4.604 6.085 101 HZ3 LYS 13 HZ3 LYS 13 11.560 -5.052 5.116 102 H GLU 14 H GLU 14 6.667 -6.732 2.102 103 HA GLU 14 HA GLU 14 7.958 -4.312 1.869 104 HB2 GLU 14 HB2 GLU 14 7.927 -5.995 0.122 105 HB3 GLU 14 HB3 GLU 14 6.422 -5.493 -0.267 106 HG2 GLU 14 HG2 GLU 14 7.239 -3.387 -0.896 107 HG3 GLU 14 HG3 GLU 14 8.739 -3.781 -0.383 108 H ALA 15 H ALA 15 4.556 -5.093 1.672 109 HA ALA 15 HA ALA 15 3.718 -2.569 0.948 110 HB1 ALA 15 HB1 ALA 15 2.236 -4.452 0.833 111 HB2 ALA 15 HB2 ALA 15 1.527 -3.266 1.674 112 HB3 ALA 15 HB3 ALA 15 2.186 -4.524 2.447 113 H PHE 16 H PHE 16 4.287 -3.951 4.078 114 HA PHE 16 HA PHE 16 3.342 -1.810 5.583 115 HB2 PHE 16 HB2 PHE 16 3.816 -4.010 6.479 116 HB3 PHE 16 HB3 PHE 16 5.408 -3.656 6.394 117 HD1 PHE 16 HD1 PHE 16 6.499 -2.507 8.169 118 HD2 PHE 16 HD2 PHE 16 2.345 -2.652 8.039 119 HE1 PHE 16 HE1 PHE 16 6.401 -1.573 10.393 120 HE2 PHE 16 HE2 PHE 16 2.234 -1.710 10.259 121 HZ PHE 16 HZ PHE 16 4.266 -1.172 11.441 122 H SER 17 H SER 17 6.413 -2.574 4.224 123 HA SER 17 HA SER 17 7.864 -0.553 5.320 124 HB2 SER 17 HB2 SER 17 8.813 -2.481 4.092 125 HB3 SER 17 HB3 SER 17 8.451 -1.703 2.702 126 HG SER 17 HG SER 17 10.566 -1.350 3.192 127 H LEU 18 H LEU 18 5.573 -0.281 2.880 128 HA LEU 18 HA LEU 18 6.617 2.028 1.724 129 HB2 LEU 18 HB2 LEU 18 3.883 1.085 1.686 130 HB3 LEU 18 HB3 LEU 18 4.428 2.289 0.726 131 HG LEU 18 HG LEU 18 5.291 -0.437 0.494 132 HD11 LEU 18 HD11 LEU 18 3.859 -0.524 -1.466 133 HD12 LEU 18 HD12 LEU 18 3.349 0.980 -1.154 134 HD13 LEU 18 HD13 LEU 18 2.973 -0.227 -0.146 135 HD21 LEU 18 HD21 LEU 18 6.262 0.215 -1.590 136 HD22 LEU 18 HD22 LEU 18 6.931 1.045 -0.374 137 HD23 LEU 18 HD23 LEU 18 5.824 1.748 -1.321 138 H PHE 19 H PHE 19 4.797 1.415 4.527 139 HA PHE 19 HA PHE 19 4.308 4.213 4.826 140 HB2 PHE 19 HB2 PHE 19 2.634 2.038 5.824 141 HB3 PHE 19 HB3 PHE 19 2.281 3.608 6.096 142 HD1 PHE 19 HD1 PHE 19 1.421 5.039 4.292 143 HD2 PHE 19 HD2 PHE 19 2.167 0.996 3.684 144 HE1 PHE 19 HE1 PHE 19 0.210 5.134 2.208 145 HE2 PHE 19 HE2 PHE 19 0.960 1.074 1.599 146 HZ PHE 19 HZ PHE 19 -0.006 3.149 0.847 147 H ASP 20 H ASP 20 5.839 1.718 6.376 148 HA ASP 20 HA ASP 20 5.842 2.849 8.960 149 HB2 ASP 20 HB2 ASP 20 7.334 1.105 9.540 150 HB3 ASP 20 HB3 ASP 20 6.182 0.476 8.568 151 H LYS 21 H LYS 21 6.684 4.510 6.826 152 HA LYS 21 HA LYS 21 9.413 4.889 6.885 153 HB2 LYS 21 HB2 LYS 21 7.509 5.600 5.248 154 HB3 LYS 21 HB3 LYS 21 7.670 7.018 6.045 155 HG2 LYS 21 HG2 LYS 21 9.907 7.166 5.341 156 HG3 LYS 21 HG3 LYS 21 9.759 5.741 4.557 157 HD2 LYS 21 HD2 LYS 21 8.088 6.689 3.170 158 HD3 LYS 21 HD3 LYS 21 8.273 8.119 3.938 159 HE2 LYS 21 HE2 LYS 21 10.518 8.233 3.174 160 HE3 LYS 21 HE3 LYS 21 10.319 6.813 2.391 161 HZ1 LYS 21 HZ1 LYS 21 10.046 8.623 0.883 162 HZ2 LYS 21 HZ2 LYS 21 8.852 9.215 1.799 163 HZ3 LYS 21 HZ3 LYS 21 8.654 7.811 1.024 164 H ASP 22 H ASP 22 7.631 5.448 9.394 165 HA ASP 22 HA ASP 22 8.396 8.041 10.081 166 HB2 ASP 22 HB2 ASP 22 7.339 7.680 12.080 167 HB3 ASP 22 HB3 ASP 22 6.543 6.672 11.070 168 H GLY 23 H GLY 23 9.854 5.000 10.213 169 HA2 GLY 23 HA2 GLY 23 12.190 4.869 10.380 170 HA3 GLY 23 HA3 GLY 23 12.207 6.131 11.416 171 H ASP 24 H ASP 24 9.937 4.859 12.960 172 HA ASP 24 HA ASP 24 11.635 3.218 14.569 173 HB2 ASP 24 HB2 ASP 24 10.033 4.967 15.437 174 HB3 ASP 24 HB3 ASP 24 8.911 3.790 15.292 175 H GLY 25 H GLY 25 9.046 2.913 12.385 176 HA2 GLY 25 HA2 GLY 25 8.746 0.787 11.367 177 HA3 GLY 25 HA3 GLY 25 9.074 0.052 12.788 178 H THR 26 H THR 26 6.967 2.736 12.728 179 HA THR 26 HA THR 26 4.724 0.967 13.071 180 HB THR 26 HB THR 26 5.221 1.866 15.248 181 HG1 THR 26 HG1 THR 26 3.229 3.202 15.508 182 HG21 THR 26 HG21 THR 26 5.195 4.214 15.670 183 HG22 THR 26 HG22 THR 26 4.927 4.511 14.103 184 HG23 THR 26 HG23 THR 26 6.343 3.890 14.578 185 H ILE 27 H ILE 27 2.550 1.908 12.630 186 HA ILE 27 HA ILE 27 2.739 4.126 10.809 187 HB ILE 27 HB ILE 27 1.200 3.166 9.263 188 HG12 ILE 27 HG12 ILE 27 1.038 0.796 10.882 189 HG13 ILE 27 HG13 ILE 27 -0.102 1.964 10.914 190 HG21 ILE 27 HG21 ILE 27 2.508 1.321 8.425 191 HG22 ILE 27 HG22 ILE 27 3.300 1.236 9.832 192 HG23 ILE 27 HG23 ILE 27 3.485 2.527 8.877 193 HD11 ILE 27 HD11 ILE 27 -0.815 0.167 9.504 194 HD12 ILE 27 HD12 ILE 27 0.502 0.347 8.585 195 HD13 ILE 27 HD13 ILE 27 -0.627 1.505 8.615 196 H THR 28 H THR 28 0.662 5.446 10.667 197 HA THR 28 HA THR 28 -0.634 5.199 13.191 198 HB THR 28 HB THR 28 -1.145 7.477 13.196 199 HG1 THR 28 HG1 THR 28 -2.328 7.541 11.349 200 HG21 THR 28 HG21 THR 28 0.776 8.672 12.402 201 HG22 THR 28 HG22 THR 28 1.220 7.401 11.507 202 HG23 THR 28 HG23 THR 28 1.273 7.311 13.120 203 H THR 29 H THR 29 -3.017 5.859 13.292 204 HA THR 29 HA THR 29 -4.502 4.137 11.927 205 HB THR 29 HB THR 29 -5.980 5.015 13.467 206 HG1 THR 29 HG1 THR 29 -7.446 6.103 12.523 207 HG21 THR 29 HG21 THR 29 -5.621 7.161 14.501 208 HG22 THR 29 HG22 THR 29 -4.539 7.546 13.363 209 HG23 THR 29 HG23 THR 29 -4.207 6.379 14.432 210 H LYS 30 H LYS 30 -3.565 7.204 10.768 211 HA LYS 30 HA LYS 30 -5.505 7.382 8.774 212 HB2 LYS 30 HB2 LYS 30 -3.009 8.805 9.158 213 HB3 LYS 30 HB3 LYS 30 -4.019 9.193 7.933 214 HG2 LYS 30 HG2 LYS 30 -5.683 9.836 9.456 215 HG3 LYS 30 HG3 LYS 30 -4.772 9.330 10.712 216 HD2 LYS 30 HD2 LYS 30 -3.869 11.447 9.010 217 HD3 LYS 30 HD3 LYS 30 -4.827 11.759 10.294 218 HE2 LYS 30 HE2 LYS 30 -3.149 10.696 11.704 219 HE3 LYS 30 HE3 LYS 30 -2.173 10.628 10.396 220 HZ1 LYS 30 HZ1 LYS 30 -1.649 12.538 11.708 221 HZ2 LYS 30 HZ2 LYS 30 -3.167 13.071 11.556 222 HZ3 LYS 30 HZ3 LYS 30 -2.201 13.004 10.262 223 H GLU 31 H GLU 31 -2.428 5.926 8.829 224 HA GLU 31 HA GLU 31 -2.341 5.688 6.000 225 HB2 GLU 31 HB2 GLU 31 -0.518 4.860 8.072 226 HB3 GLU 31 HB3 GLU 31 -0.270 4.382 6.531 227 HG2 GLU 31 HG2 GLU 31 1.065 6.258 6.908 228 HG3 GLU 31 HG3 GLU 31 -0.132 6.704 5.889 229 H LEU 32 H LEU 32 -3.573 3.939 8.553 230 HA LEU 32 HA LEU 32 -3.304 1.361 7.727 231 HB2 LEU 32 HB2 LEU 32 -4.523 2.526 9.731 232 HB3 LEU 32 HB3 LEU 32 -5.816 2.002 8.882 233 HG LEU 32 HG LEU 32 -3.815 0.298 10.035 234 HD11 LEU 32 HD11 LEU 32 -5.627 -0.316 11.558 235 HD12 LEU 32 HD12 LEU 32 -6.598 0.743 10.816 236 HD13 LEU 32 HD13 LEU 32 -5.331 1.270 11.672 237 HD21 LEU 32 HD21 LEU 32 -5.160 -1.559 9.458 238 HD22 LEU 32 HD22 LEU 32 -4.665 -0.781 8.130 239 HD23 LEU 32 HD23 LEU 32 -6.178 -0.586 8.664 240 H GLY 33 H GLY 33 -5.795 3.628 6.815 241 HA2 GLY 33 HA2 GLY 33 -7.284 1.839 5.300 242 HA3 GLY 33 HA3 GLY 33 -7.321 3.465 5.148 243 H THR 34 H THR 34 -4.599 3.840 4.502 244 HA THR 34 HA THR 34 -4.798 3.426 1.776 245 HB THR 34 HB THR 34 -2.337 4.278 3.116 246 HG1 THR 34 HG1 THR 34 -3.130 6.242 3.444 247 HG21 THR 34 HG21 THR 34 -2.006 5.629 1.163 248 HG22 THR 34 HG22 THR 34 -3.420 5.131 0.557 249 HG23 THR 34 HG23 THR 34 -2.190 4.092 0.696 250 H VAL 35 H VAL 35 -2.750 1.931 4.187 251 HA VAL 35 HA VAL 35 -1.338 0.425 2.357 252 HB VAL 35 HB VAL 35 -0.517 0.759 4.637 253 HG11 VAL 35 HG11 VAL 35 -1.266 -0.597 6.426 254 HG12 VAL 35 HG12 VAL 35 -2.428 -1.211 5.484 255 HG13 VAL 35 HG13 VAL 35 -2.461 0.353 5.892 256 HG21 VAL 35 HG21 VAL 35 0.523 -1.402 4.905 257 HG22 VAL 35 HG22 VAL 35 0.561 -0.961 3.350 258 HG23 VAL 35 HG23 VAL 35 -0.530 -2.041 3.858 259 H MET 36 H MET 36 -4.315 -0.295 4.034 260 HA MET 36 HA MET 36 -4.416 -2.907 3.138 261 HB2 MET 36 HB2 MET 36 -6.567 -1.188 3.976 262 HB3 MET 36 HB3 MET 36 -6.829 -2.751 3.588 263 HG2 MET 36 HG2 MET 36 -5.239 -3.320 5.270 264 HG3 MET 36 HG3 MET 36 -5.276 -1.754 5.732 265 HE1 MET 36 HE1 MET 36 -8.889 -1.234 6.923 266 HE2 MET 36 HE2 MET 36 -8.241 -0.871 5.487 267 HE3 MET 36 HE3 MET 36 -7.421 -0.559 6.846 268 H ARG 37 H ARG 37 -5.774 0.036 1.820 269 HA ARG 37 HA ARG 37 -7.082 -1.204 -0.254 270 HB2 ARG 37 HB2 ARG 37 -7.509 1.083 0.419 271 HB3 ARG 37 HB3 ARG 37 -6.108 1.526 -0.293 272 HG2 ARG 37 HG2 ARG 37 -6.949 1.015 -2.400 273 HG3 ARG 37 HG3 ARG 37 -8.299 0.366 -1.748 274 HD2 ARG 37 HD2 ARG 37 -8.969 2.508 -0.998 275 HD3 ARG 37 HD3 ARG 37 -7.617 3.158 -1.641 276 HE ARG 37 HE ARG 37 -8.860 1.847 -3.696 277 HH11 ARG 37 HH11 ARG 37 -9.575 4.621 -1.653 278 HH12 ARG 37 HH12 ARG 37 -10.564 5.365 -2.864 279 HH21 ARG 37 HH21 ARG 37 -10.126 2.858 -5.193 280 HH22 ARG 37 HH22 ARG 37 -10.871 4.382 -4.839 281 H SER 38 H SER 38 -3.825 -0.021 -0.104 282 HA SER 38 HA SER 38 -3.312 -0.442 -2.815 283 HB2 SER 38 HB2 SER 38 -0.926 -0.275 -2.112 284 HB3 SER 38 HB3 SER 38 -1.847 1.021 -1.739 285 HG SER 38 HG SER 38 -1.356 0.754 0.213 286 H LEU 39 H LEU 39 -3.071 -2.442 -0.031 287 HA LEU 39 HA LEU 39 -1.809 -4.613 -1.299 288 HB2 LEU 39 HB2 LEU 39 -1.793 -4.215 1.084 289 HB3 LEU 39 HB3 LEU 39 -3.379 -4.603 1.128 290 HG LEU 39 HG LEU 39 -2.835 -6.857 0.665 291 HD11 LEU 39 HD11 LEU 39 -0.580 -7.620 0.676 292 HD12 LEU 39 HD12 LEU 39 -0.055 -6.094 0.761 293 HD13 LEU 39 HD13 LEU 39 -0.823 -6.611 -0.564 294 HD21 LEU 39 HD21 LEU 39 -1.835 -7.312 2.840 295 HD22 LEU 39 HD22 LEU 39 -2.951 -6.151 2.984 296 HD23 LEU 39 HD23 LEU 39 -1.382 -5.764 2.951 297 H GLY 40 H GLY 40 -4.896 -3.411 -1.454 298 HA2 GLY 40 HA2 GLY 40 -6.420 -4.245 -3.002 299 HA3 GLY 40 HA3 GLY 40 -5.791 -5.746 -2.862 300 H GLN 41 H GLN 41 -6.022 -4.861 0.184 301 HA GLN 41 HA GLN 41 -8.397 -6.308 0.574 302 HB2 GLN 41 HB2 GLN 41 -6.680 -5.016 2.497 303 HB3 GLN 41 HB3 GLN 41 -7.999 -5.866 2.946 304 HG2 GLN 41 HG2 GLN 41 -6.896 -7.742 1.692 305 HG3 GLN 41 HG3 GLN 41 -5.539 -6.861 1.913 306 HE21 GLN 41 HE21 GLN 41 -4.314 -7.562 3.543 307 HE22 GLN 41 HE22 GLN 41 -4.952 -8.181 5.030 308 H ASN 42 H ASN 42 -10.439 -5.611 1.097 309 HA ASN 42 HA ASN 42 -10.778 -2.785 1.558 310 HB2 ASN 42 HB2 ASN 42 -11.220 -3.348 -0.794 311 HB3 ASN 42 HB3 ASN 42 -12.491 -4.231 -0.274 312 HD21 ASN 42 HD21 ASN 42 -14.264 -3.239 -0.980 313 HD22 ASN 42 HD22 ASN 42 -14.588 -1.562 -0.695 314 HA PRO 43 HA PRO 43 -13.255 -5.215 4.428 315 HB2 PRO 43 HB2 PRO 43 -12.341 -4.360 6.771 316 HB3 PRO 43 HB3 PRO 43 -11.398 -5.400 5.937 317 HG2 PRO 43 HG2 PRO 43 -11.248 -2.573 5.994 318 HG3 PRO 43 HG3 PRO 43 -10.043 -3.648 6.236 319 HD2 PRO 43 HD2 PRO 43 -10.372 -2.556 3.875 320 HD3 PRO 43 HD3 PRO 43 -9.835 -4.094 3.995 321 H THR 44 H THR 44 -14.810 -4.674 6.174 322 HA THR 44 HA THR 44 -16.292 -2.489 5.383 323 HB THR 44 HB THR 44 -17.054 -3.204 7.951 324 HG1 THR 44 HG1 THR 44 -16.318 -5.117 8.205 325 HG21 THR 44 HG21 THR 44 -18.919 -4.234 6.874 326 HG22 THR 44 HG22 THR 44 -18.147 -4.191 5.454 327 HG23 THR 44 HG23 THR 44 -18.627 -2.815 6.155 328 H GLU 45 H GLU 45 -16.851 -0.537 6.540 329 HA GLU 45 HA GLU 45 -14.684 0.795 7.572 330 HB2 GLU 45 HB2 GLU 45 -17.486 1.468 7.923 331 HB3 GLU 45 HB3 GLU 45 -16.262 2.526 8.147 332 HG2 GLU 45 HG2 GLU 45 -16.995 3.134 6.115 333 HG3 GLU 45 HG3 GLU 45 -15.780 2.115 5.719 334 H ALA 46 H ALA 46 -17.130 -1.066 9.030 335 HA ALA 46 HA ALA 46 -16.810 -0.290 11.635 336 HB1 ALA 46 HB1 ALA 46 -18.679 -1.663 10.920 337 HB2 ALA 46 HB2 ALA 46 -17.958 -2.371 12.182 338 HB3 ALA 46 HB3 ALA 46 -17.680 -2.913 10.685 339 H GLU 47 H GLU 47 -15.091 -2.710 9.808 340 HA GLU 47 HA GLU 47 -13.680 -3.747 11.956 341 HB2 GLU 47 HB2 GLU 47 -12.872 -3.699 9.170 342 HB3 GLU 47 HB3 GLU 47 -12.158 -4.643 10.296 343 HG2 GLU 47 HG2 GLU 47 -14.877 -4.933 9.452 344 HG3 GLU 47 HG3 GLU 47 -13.643 -5.853 8.904 345 H LEU 48 H LEU 48 -13.051 -1.231 9.686 346 HA LEU 48 HA LEU 48 -10.451 -0.711 10.398 347 HB2 LEU 48 HB2 LEU 48 -11.396 0.113 8.378 348 HB3 LEU 48 HB3 LEU 48 -12.408 1.074 9.225 349 HG LEU 48 HG LEU 48 -10.600 2.453 9.847 350 HD11 LEU 48 HD11 LEU 48 -8.421 2.176 8.952 351 HD12 LEU 48 HD12 LEU 48 -8.867 0.774 8.282 352 HD13 LEU 48 HD13 LEU 48 -8.812 0.920 9.892 353 HD21 LEU 48 HD21 LEU 48 -10.171 3.383 7.637 354 HD22 LEU 48 HD22 LEU 48 -11.731 2.978 7.769 355 HD23 LEU 48 HD23 LEU 48 -10.712 2.016 6.963 356 H GLN 49 H GLN 49 -13.379 0.899 11.456 357 HA GLN 49 HA GLN 49 -12.006 2.634 13.126 358 HB2 GLN 49 HB2 GLN 49 -14.092 3.294 13.987 359 HB3 GLN 49 HB3 GLN 49 -14.247 3.077 12.376 360 HG2 GLN 49 HG2 GLN 49 -15.267 0.971 12.784 361 HG3 GLN 49 HG3 GLN 49 -15.166 1.253 14.390 362 HE21 GLN 49 HE21 GLN 49 -17.431 0.905 14.537 363 HE22 GLN 49 HE22 GLN 49 -18.508 2.179 14.074 364 H ASP 50 H ASP 50 -13.259 -0.529 13.637 365 HA ASP 50 HA ASP 50 -13.104 -0.545 16.390 366 HB2 ASP 50 HB2 ASP 50 -14.306 -2.211 15.137 367 HB3 ASP 50 HB3 ASP 50 -12.892 -2.805 14.576 368 H MET 51 H MET 51 -10.781 -1.701 14.040 369 HA MET 51 HA MET 51 -8.966 -2.475 15.989 370 HB2 MET 51 HB2 MET 51 -7.434 -2.847 14.223 371 HB3 MET 51 HB3 MET 51 -8.910 -3.389 13.786 372 HG2 MET 51 HG2 MET 51 -9.240 -1.455 12.535 373 HG3 MET 51 HG3 MET 51 -7.752 -0.935 12.958 374 HE1 MET 51 HE1 MET 51 -8.594 -4.403 10.129 375 HE2 MET 51 HE2 MET 51 -9.719 -3.371 10.662 376 HE3 MET 51 HE3 MET 51 -9.046 -4.430 11.681 377 H ILE 52 H ILE 52 -9.576 0.562 14.620 378 HA ILE 52 HA ILE 52 -7.129 1.716 15.377 379 HB ILE 52 HB ILE 52 -9.626 2.944 14.532 380 HG12 ILE 52 HG12 ILE 52 -7.055 3.075 13.233 381 HG13 ILE 52 HG13 ILE 52 -8.107 1.863 12.924 382 HG21 ILE 52 HG21 ILE 52 -8.593 5.125 14.592 383 HG22 ILE 52 HG22 ILE 52 -7.270 4.491 15.271 384 HG23 ILE 52 HG23 ILE 52 -8.664 4.516 16.087 385 HD11 ILE 52 HD11 ILE 52 -8.250 3.530 11.203 386 HD12 ILE 52 HD12 ILE 52 -8.614 4.656 12.304 387 HD13 ILE 52 HD13 ILE 52 -9.656 3.457 11.999 388 H ASN 53 H ASN 53 -10.254 1.353 16.840 389 HA ASN 53 HA ASN 53 -9.788 3.046 18.968 390 HB2 ASN 53 HB2 ASN 53 -11.641 0.827 18.769 391 HB3 ASN 53 HB3 ASN 53 -11.640 1.826 20.061 392 HD21 ASN 53 HD21 ASN 53 -13.762 1.253 18.228 393 HD22 ASN 53 HD22 ASN 53 -14.206 2.777 17.536 394 H GLU 54 H GLU 54 -8.919 -0.207 18.407 395 HA GLU 54 HA GLU 54 -8.443 -0.998 20.992 396 HB2 GLU 54 HB2 GLU 54 -8.441 -2.392 18.924 397 HB3 GLU 54 HB3 GLU 54 -6.876 -1.957 18.756 398 HG2 GLU 54 HG2 GLU 54 -6.713 -3.974 19.741 399 HG3 GLU 54 HG3 GLU 54 -6.570 -2.957 21.010 400 H VAL 55 H VAL 55 -6.307 0.634 18.757 401 HA VAL 55 HA VAL 55 -4.226 0.579 20.666 402 HB VAL 55 HB VAL 55 -2.874 1.766 19.011 403 HG11 VAL 55 HG11 VAL 55 -2.768 -0.067 17.424 404 HG12 VAL 55 HG12 VAL 55 -4.186 -0.619 17.970 405 HG13 VAL 55 HG13 VAL 55 -2.884 -0.643 18.930 406 HG21 VAL 55 HG21 VAL 55 -3.759 2.172 16.813 407 HG22 VAL 55 HG22 VAL 55 -4.563 3.046 17.912 408 HG23 VAL 55 HG23 VAL 55 -5.222 1.696 17.311 409 H ASP 56 H ASP 56 -6.761 2.589 20.050 410 HA ASP 56 HA ASP 56 -5.660 5.025 20.858 411 HB2 ASP 56 HB2 ASP 56 -7.827 4.708 19.716 412 HB3 ASP 56 HB3 ASP 56 -8.442 4.380 21.192 413 H ALA 57 H ALA 57 -6.522 2.210 22.457 414 HA ALA 57 HA ALA 57 -7.080 3.182 24.967 415 HB1 ALA 57 HB1 ALA 57 -7.542 0.881 24.331 416 HB2 ALA 57 HB2 ALA 57 -6.687 0.890 25.703 417 HB3 ALA 57 HB3 ALA 57 -5.956 0.567 24.297 418 H ASP 58 H ASP 58 -4.040 2.591 23.441 419 HA ASP 58 HA ASP 58 -2.531 2.953 25.816 420 HB2 ASP 58 HB2 ASP 58 -1.696 1.667 23.931 421 HB3 ASP 58 HB3 ASP 58 -1.513 3.068 23.114 422 H GLY 59 H GLY 59 -3.955 4.856 23.458 423 HA2 GLY 59 HA2 GLY 59 -4.248 7.110 23.538 424 HA3 GLY 59 HA3 GLY 59 -3.129 7.251 24.721 425 H ASN 60 H ASN 60 -1.702 5.524 22.327 426 HA ASN 60 HA ASN 60 -0.385 7.890 21.459 427 HB2 ASN 60 HB2 ASN 60 1.415 6.488 20.726 428 HB3 ASN 60 HB3 ASN 60 0.990 6.041 22.239 429 HD21 ASN 60 HD21 ASN 60 2.421 4.243 21.113 430 HD22 ASN 60 HD22 ASN 60 1.476 2.933 20.489 431 H GLY 61 H GLY 61 -2.662 5.794 20.195 432 HA2 GLY 61 HA2 GLY 61 -3.691 5.860 18.196 433 HA3 GLY 61 HA3 GLY 61 -3.022 7.326 17.933 434 H THR 62 H THR 62 -1.009 4.603 18.382 435 HA THR 62 HA THR 62 -0.382 4.580 15.563 436 HB THR 62 HB THR 62 1.939 3.981 16.942 437 HG1 THR 62 HG1 THR 62 1.271 6.503 17.683 438 HG21 THR 62 HG21 THR 62 2.808 5.905 15.809 439 HG22 THR 62 HG22 THR 62 1.309 6.405 15.472 440 HG23 THR 62 HG23 THR 62 1.892 5.070 14.772 441 H ILE 63 H ILE 63 0.717 2.527 14.815 442 HA ILE 63 HA ILE 63 -0.143 0.373 16.493 443 HB ILE 63 HB ILE 63 -0.334 0.197 13.579 444 HG12 ILE 63 HG12 ILE 63 -2.578 0.715 15.311 445 HG13 ILE 63 HG13 ILE 63 -1.850 1.874 14.421 446 HG21 ILE 63 HG21 ILE 63 -1.689 -1.773 14.011 447 HG22 ILE 63 HG22 ILE 63 -1.500 -1.560 15.601 448 HG23 ILE 63 HG23 ILE 63 -0.231 -1.961 14.684 449 HD11 ILE 63 HD11 ILE 63 -3.828 1.146 13.355 450 HD12 ILE 63 HD12 ILE 63 -3.270 -0.371 13.317 451 HD13 ILE 63 HD13 ILE 63 -2.549 0.778 12.436 452 H ASP 64 H ASP 64 1.576 -0.733 17.223 453 HA ASP 64 HA ASP 64 4.042 -0.597 15.981 454 HB2 ASP 64 HB2 ASP 64 3.098 -2.450 17.998 455 HB3 ASP 64 HB3 ASP 64 4.670 -2.355 17.566 456 H PHE 65 H PHE 65 5.304 -2.205 14.841 457 HA PHE 65 HA PHE 65 3.943 -3.486 12.952 458 HB2 PHE 65 HB2 PHE 65 6.266 -3.190 12.661 459 HB3 PHE 65 HB3 PHE 65 6.597 -4.101 13.976 460 HD1 PHE 65 HD1 PHE 65 7.153 -6.375 13.744 461 HD2 PHE 65 HD2 PHE 65 5.290 -4.384 10.603 462 HE1 PHE 65 HE1 PHE 65 7.442 -8.324 12.349 463 HE2 PHE 65 HE2 PHE 65 5.579 -6.320 9.193 464 HZ PHE 65 HZ PHE 65 6.653 -8.298 10.067 465 HA PRO 66 HA PRO 66 3.921 -7.627 14.788 466 HB2 PRO 66 HB2 PRO 66 3.979 -8.055 17.432 467 HB3 PRO 66 HB3 PRO 66 5.390 -7.993 16.610 468 HG2 PRO 66 HG2 PRO 66 4.123 -5.879 18.053 469 HG3 PRO 66 HG3 PRO 66 5.678 -6.366 18.159 470 HD2 PRO 66 HD2 PRO 66 5.098 -4.336 16.665 471 HD3 PRO 66 HD3 PRO 66 6.238 -5.390 16.160 472 H GLU 67 H GLU 67 2.403 -5.149 16.594 473 HA GLU 67 HA GLU 67 0.089 -6.614 17.102 474 HB2 GLU 67 HB2 GLU 67 0.403 -3.747 17.025 475 HB3 GLU 67 HB3 GLU 67 -0.923 -4.497 17.612 476 HG2 GLU 67 HG2 GLU 67 1.713 -4.595 18.756 477 HG3 GLU 67 HG3 GLU 67 0.410 -3.865 19.415 478 H PHE 68 H PHE 68 1.066 -4.429 14.571 479 HA PHE 68 HA PHE 68 -1.301 -4.407 13.191 480 HB2 PHE 68 HB2 PHE 68 0.486 -2.882 12.681 481 HB3 PHE 68 HB3 PHE 68 1.374 -4.116 12.085 482 HD1 PHE 68 HD1 PHE 68 -1.602 -2.167 11.454 483 HD2 PHE 68 HD2 PHE 68 1.187 -4.780 9.813 484 HE1 PHE 68 HE1 PHE 68 -2.540 -1.784 9.265 485 HE2 PHE 68 HE2 PHE 68 0.281 -4.378 7.615 486 HZ PHE 68 HZ PHE 68 -1.585 -2.879 7.337 487 H LEU 69 H LEU 69 1.385 -6.575 12.965 488 HA LEU 69 HA LEU 69 0.519 -8.002 10.764 489 HB2 LEU 69 HB2 LEU 69 2.736 -8.123 11.641 490 HB3 LEU 69 HB3 LEU 69 2.167 -8.916 12.952 491 HG LEU 69 HG LEU 69 1.716 -10.807 11.611 492 HD11 LEU 69 HD11 LEU 69 2.467 -10.946 9.354 493 HD12 LEU 69 HD12 LEU 69 2.884 -9.383 9.390 494 HD13 LEU 69 HD13 LEU 69 1.327 -9.807 9.498 495 HD21 LEU 69 HD21 LEU 69 4.055 -11.405 11.238 496 HD22 LEU 69 HD22 LEU 69 3.909 -10.630 12.649 497 HD23 LEU 69 HD23 LEU 69 4.465 -9.845 11.350 498 H THR 70 H THR 70 -0.013 -8.535 14.154 499 HA THR 70 HA THR 70 -1.509 -10.849 13.815 500 HB THR 70 HB THR 70 -1.589 -9.078 16.151 501 HG1 THR 70 HG1 THR 70 0.537 -9.781 15.433 502 HG21 THR 70 HG21 THR 70 -2.105 -11.052 17.406 503 HG22 THR 70 HG22 THR 70 -2.042 -11.947 16.060 504 HG23 THR 70 HG23 THR 70 -3.227 -10.865 16.257 505 H MET 71 H MET 71 -2.364 -7.533 14.160 506 HA MET 71 HA MET 71 -5.093 -7.734 14.341 507 HB2 MET 71 HB2 MET 71 -3.866 -5.708 14.726 508 HB3 MET 71 HB3 MET 71 -3.443 -5.654 13.150 509 HG2 MET 71 HG2 MET 71 -5.687 -5.306 12.627 510 HG3 MET 71 HG3 MET 71 -5.998 -5.205 14.227 511 HE1 MET 71 HE1 MET 71 -4.214 -2.008 15.447 512 HE2 MET 71 HE2 MET 71 -3.850 -3.564 15.691 513 HE3 MET 71 HE3 MET 71 -5.383 -3.066 15.802 514 H MET 72 H MET 72 -3.074 -7.640 11.521 515 HA MET 72 HA MET 72 -5.211 -7.502 9.748 516 HB2 MET 72 HB2 MET 72 -2.850 -6.925 9.278 517 HB3 MET 72 HB3 MET 72 -2.598 -8.524 9.058 518 HG2 MET 72 HG2 MET 72 -2.845 -7.414 7.049 519 HG3 MET 72 HG3 MET 72 -3.974 -8.574 7.266 520 HE1 MET 72 HE1 MET 72 -4.891 -4.111 7.788 521 HE2 MET 72 HE2 MET 72 -3.427 -4.657 7.371 522 HE3 MET 72 HE3 MET 72 -4.014 -4.964 8.846 523 H ALA 73 H ALA 73 -3.616 -10.140 11.235 524 HA ALA 73 HA ALA 73 -4.535 -12.140 9.577 525 HB1 ALA 73 HB1 ALA 73 -2.782 -12.540 11.201 526 HB2 ALA 73 HB2 ALA 73 -3.943 -13.650 11.390 527 HB3 ALA 73 HB3 ALA 73 -3.853 -12.395 12.404 528 H ARG 74 H ARG 74 -6.147 -10.351 11.956 529 HA ARG 74 HA ARG 74 -8.185 -12.074 12.586 530 HB2 ARG 74 HB2 ARG 74 -7.567 -9.819 13.579 531 HB3 ARG 74 HB3 ARG 74 -8.598 -9.208 12.469 532 HG2 ARG 74 HG2 ARG 74 -10.378 -10.388 13.476 533 HG3 ARG 74 HG3 ARG 74 -9.346 -10.992 14.588 534 HD2 ARG 74 HD2 ARG 74 -10.134 -9.254 15.770 535 HD3 ARG 74 HD3 ARG 74 -8.904 -8.492 15.013 536 HE ARG 74 HE ARG 74 -11.088 -8.228 13.379 537 HH11 ARG 74 HH11 ARG 74 -12.369 -6.413 13.360 538 HH12 ARG 74 HH12 ARG 74 -12.345 -5.302 14.688 539 HH21 ARG 74 HH21 ARG 74 -10.073 -7.065 16.552 540 HH22 ARG 74 HH22 ARG 74 -11.080 -5.660 16.446 541 H LYS 75 H LYS 75 -7.678 -10.563 9.657 542 HA LYS 75 HA LYS 75 -10.435 -10.550 8.969 543 HB2 LYS 75 HB2 LYS 75 -8.805 -8.833 8.225 544 HB3 LYS 75 HB3 LYS 75 -8.256 -9.942 7.159 545 HG2 LYS 75 HG2 LYS 75 -9.696 -8.422 6.068 546 HG3 LYS 75 HG3 LYS 75 -10.355 -9.916 6.047 547 HD2 LYS 75 HD2 LYS 75 -11.709 -9.253 7.964 548 HD3 LYS 75 HD3 LYS 75 -11.156 -7.730 7.757 549 HE2 LYS 75 HE2 LYS 75 -12.191 -7.578 5.681 550 HE3 LYS 75 HE3 LYS 75 -12.609 -9.156 5.730 551 HZ1 LYS 75 HZ1 LYS 75 -14.474 -7.798 6.337 552 HZ2 LYS 75 HZ2 LYS 75 -13.618 -7.152 7.547 553 HZ3 LYS 75 HZ3 LYS 75 -14.031 -8.713 7.594 554 H MET 76 H MET 76 -8.258 -12.918 9.048 555 HA MET 76 HA MET 76 -8.680 -14.282 6.699 556 HB2 MET 76 HB2 MET 76 -7.002 -14.915 8.290 557 HB3 MET 76 HB3 MET 76 -8.166 -15.421 9.317 558 HG2 MET 76 HG2 MET 76 -7.162 -17.228 8.333 559 HG3 MET 76 HG3 MET 76 -8.731 -17.135 7.891 560 HE1 MET 76 HE1 MET 76 -5.115 -16.431 5.242 561 HE2 MET 76 HE2 MET 76 -5.105 -17.201 6.664 562 HE3 MET 76 HE3 MET 76 -5.338 -15.601 6.611 563 H LYS 77 H LYS 77 -10.235 -15.763 5.910 564 HA LYS 77 HA LYS 77 -12.680 -15.757 7.358 565 HB2 LYS 77 HB2 LYS 77 -12.890 -15.534 5.046 566 HB3 LYS 77 HB3 LYS 77 -12.080 -16.930 4.799 567 HG2 LYS 77 HG2 LYS 77 -14.393 -17.286 4.434 568 HG3 LYS 77 HG3 LYS 77 -13.910 -18.152 5.732 569 HD2 LYS 77 HD2 LYS 77 -14.795 -16.400 7.151 570 HD3 LYS 77 HD3 LYS 77 -15.402 -15.683 5.816 571 HE2 LYS 77 HE2 LYS 77 -16.768 -17.567 5.404 572 HE3 LYS 77 HE3 LYS 77 -16.133 -18.326 6.703 573 HZ1 LYS 77 HZ1 LYS 77 -18.238 -17.377 7.260 574 HZ2 LYS 77 HZ2 LYS 77 -17.699 -15.913 6.837 575 HZ3 LYS 77 HZ3 LYS 77 -17.071 -16.664 8.123 576 H ASP 78 H ASP 78 -13.124 -17.138 8.915 577 HA ASP 78 HA ASP 78 -11.932 -19.745 8.814 578 HB2 ASP 78 HB2 ASP 78 -11.724 -19.634 11.203 579 HB3 ASP 78 HB3 ASP 78 -11.066 -18.272 10.585 580 H THR 79 H THR 79 -13.054 -21.122 10.735 581 HA THR 79 HA THR 79 -15.910 -20.872 10.612 582 HB THR 79 HB THR 79 -16.104 -23.336 10.359 583 HG1 THR 79 HG1 THR 79 -14.326 -24.396 9.484 584 HG21 THR 79 HG21 THR 79 -15.842 -23.335 7.976 585 HG22 THR 79 HG22 THR 79 -14.953 -21.987 8.056 586 HG23 THR 79 HG23 THR 79 -16.528 -21.940 8.420
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