NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
581375 | 2mrm | 25085 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H1 MET 1 7.667 -5.501 13.299 2 HA MET 1 HA MET 1 6.284 -3.383 14.685 3 HB2 MET 1 HB2 MET 1 8.209 -5.070 16.282 4 HB3 MET 1 HB3 MET 1 7.106 -3.818 16.855 5 HG2 MET 1 HG2 MET 1 5.856 -5.655 17.444 6 HG3 MET 1 HG3 MET 1 5.301 -5.491 15.778 7 HE1 MET 1 HE1 MET 1 5.024 -7.978 14.579 8 HE2 MET 1 HE2 MET 1 4.459 -7.682 16.221 9 HE3 MET 1 HE3 MET 1 5.309 -9.179 15.846 10 H ALA 2 H ALA 2 7.837 -3.526 12.373 11 HA ALA 2 HA ALA 2 10.085 -1.850 13.150 12 HB1 ALA 2 HB1 ALA 2 10.476 -4.606 12.545 13 HB2 ALA 2 HB2 ALA 2 11.700 -3.370 12.836 14 HB3 ALA 2 HB3 ALA 2 11.116 -3.665 11.198 15 H LEU 3 H LEU 3 7.594 -1.416 11.777 16 HA LEU 3 HA LEU 3 8.075 -1.280 8.949 17 HB2 LEU 3 HB2 LEU 3 5.963 -0.057 8.867 18 HB3 LEU 3 HB3 LEU 3 5.801 -1.468 9.911 19 HG LEU 3 HG LEU 3 6.580 0.299 11.768 20 HD11 LEU 3 HD11 LEU 3 6.253 2.490 11.262 21 HD12 LEU 3 HD12 LEU 3 4.795 2.150 10.330 22 HD13 LEU 3 HD13 LEU 3 6.382 1.961 9.585 23 HD21 LEU 3 HD21 LEU 3 4.120 0.714 12.181 24 HD22 LEU 3 HD22 LEU 3 4.538 -0.982 11.940 25 HD23 LEU 3 HD23 LEU 3 3.792 -0.063 10.633 26 H THR 4 H THR 4 9.081 0.266 7.831 27 HA THR 4 HA THR 4 9.702 2.805 9.219 28 HB THR 4 HB THR 4 11.316 1.141 7.296 29 HG1 THR 4 HG1 THR 4 12.585 2.362 9.328 30 HG21 THR 4 HG21 THR 4 12.898 3.098 7.235 31 HG22 THR 4 HG22 THR 4 11.625 4.078 7.963 32 HG23 THR 4 HG23 THR 4 11.387 3.369 6.367 33 H THR 5 H THR 5 9.433 4.722 8.105 34 HA THR 5 HA THR 5 7.538 4.661 5.931 35 HB THR 5 HB THR 5 8.039 7.234 6.062 36 HG1 THR 5 HG1 THR 5 9.089 7.854 7.843 37 HG21 THR 5 HG21 THR 5 5.943 6.475 6.819 38 HG22 THR 5 HG22 THR 5 6.630 7.265 8.239 39 HG23 THR 5 HG23 THR 5 6.659 5.507 8.107 40 H ILE 6 H ILE 6 7.856 5.317 3.814 41 HA ILE 6 HA ILE 6 10.625 5.879 2.993 42 HB ILE 6 HB ILE 6 9.266 3.424 2.556 43 HG12 ILE 6 HG12 ILE 6 11.749 4.423 1.158 44 HG13 ILE 6 HG13 ILE 6 11.732 3.981 2.862 45 HG21 ILE 6 HG21 ILE 6 9.226 3.248 0.134 46 HG22 ILE 6 HG22 ILE 6 9.784 4.911 -0.034 47 HG23 ILE 6 HG23 ILE 6 8.179 4.581 0.619 48 HD11 ILE 6 HD11 ILE 6 12.333 2.186 0.989 49 HD12 ILE 6 HD12 ILE 6 10.578 2.043 0.900 50 HD13 ILE 6 HD13 ILE 6 11.412 1.732 2.422 51 H SER 7 H SER 7 10.734 6.651 0.719 52 HA SER 7 HA SER 7 8.467 8.461 0.201 53 HB2 SER 7 HB2 SER 7 10.974 9.214 0.485 54 HB3 SER 7 HB3 SER 7 11.110 8.688 -1.191 55 HG SER 7 HG SER 7 9.026 10.383 -0.306 56 HA PRO 8 HA PRO 8 6.976 6.219 -3.285 57 HB2 PRO 8 HB2 PRO 8 7.232 8.806 -4.754 58 HB3 PRO 8 HB3 PRO 8 5.838 7.720 -4.617 59 HG2 PRO 8 HG2 PRO 8 6.068 10.033 -3.233 60 HG3 PRO 8 HG3 PRO 8 5.151 8.633 -2.659 61 HD2 PRO 8 HD2 PRO 8 7.673 9.733 -1.628 62 HD3 PRO 8 HD3 PRO 8 6.561 8.573 -0.871 63 H HIS 9 H HIS 9 9.918 8.015 -3.291 64 HA HIS 9 HA HIS 9 10.807 7.153 -5.904 65 HB2 HIS 9 HB2 HIS 9 11.687 9.017 -3.877 66 HB3 HIS 9 HB3 HIS 9 13.030 8.002 -4.403 67 HD1 HIS 9 HD1 HIS 9 10.285 10.173 -5.912 68 HD2 HIS 9 HD2 HIS 9 14.071 8.718 -6.876 69 HE1 HIS 9 HE1 HIS 9 10.928 11.252 -8.112 70 H ASP 10 H ASP 10 11.060 6.000 -2.611 71 HA ASP 10 HA ASP 10 13.206 4.148 -3.231 72 HB2 ASP 10 HB2 ASP 10 12.031 5.216 -0.869 73 HB3 ASP 10 HB3 ASP 10 11.864 3.462 -0.804 74 H ALA 11 H ALA 11 9.767 3.869 -2.317 75 HA ALA 11 HA ALA 11 9.399 1.162 -2.473 76 HB1 ALA 11 HB1 ALA 11 7.124 1.578 -2.730 77 HB2 ALA 11 HB2 ALA 11 7.394 2.957 -3.797 78 HB3 ALA 11 HB3 ALA 11 7.694 3.109 -2.066 79 H GLN 12 H GLN 12 9.861 3.420 -5.118 80 HA GLN 12 HA GLN 12 9.087 1.686 -7.231 81 HB2 GLN 12 HB2 GLN 12 9.324 4.133 -7.506 82 HB3 GLN 12 HB3 GLN 12 11.066 3.979 -7.279 83 HG2 GLN 12 HG2 GLN 12 10.332 2.077 -9.253 84 HG3 GLN 12 HG3 GLN 12 9.528 3.587 -9.680 85 HE21 GLN 12 HE21 GLN 12 12.096 2.095 -10.714 86 HE22 GLN 12 HE22 GLN 12 13.248 3.339 -10.780 87 H GLU 13 H GLU 13 12.331 2.613 -6.055 88 HA GLU 13 HA GLU 13 13.910 0.988 -7.594 89 HB2 GLU 13 HB2 GLU 13 14.214 1.566 -4.636 90 HB3 GLU 13 HB3 GLU 13 15.487 0.928 -5.677 91 HG2 GLU 13 HG2 GLU 13 15.100 2.971 -7.164 92 HG3 GLU 13 HG3 GLU 13 14.132 3.625 -5.844 93 H LEU 14 H LEU 14 11.723 0.067 -5.057 94 HA LEU 14 HA LEU 14 12.779 -2.623 -4.807 95 HB2 LEU 14 HB2 LEU 14 10.137 -1.578 -3.783 96 HB3 LEU 14 HB3 LEU 14 11.052 -2.968 -3.198 97 HG LEU 14 HG LEU 14 11.945 -0.075 -3.054 98 HD11 LEU 14 HD11 LEU 14 11.059 -2.044 -0.925 99 HD12 LEU 14 HD12 LEU 14 10.168 -0.618 -1.454 100 HD13 LEU 14 HD13 LEU 14 11.705 -0.433 -0.610 101 HD21 LEU 14 HD21 LEU 14 13.255 -2.703 -2.350 102 HD22 LEU 14 HD22 LEU 14 13.717 -1.210 -1.533 103 HD23 LEU 14 HD23 LEU 14 13.920 -1.359 -3.278 104 H ILE 15 H ILE 15 10.021 -1.005 -6.330 105 HA ILE 15 HA ILE 15 8.518 -3.170 -7.161 106 HB ILE 15 HB ILE 15 9.140 -0.573 -8.580 107 HG12 ILE 15 HG12 ILE 15 6.655 -1.556 -7.143 108 HG13 ILE 15 HG13 ILE 15 7.874 -0.511 -6.414 109 HG21 ILE 15 HG21 ILE 15 7.687 -2.974 -9.489 110 HG22 ILE 15 HG22 ILE 15 8.336 -1.628 -10.427 111 HG23 ILE 15 HG23 ILE 15 6.770 -1.474 -9.629 112 HD11 ILE 15 HD11 ILE 15 6.913 1.293 -7.352 113 HD12 ILE 15 HD12 ILE 15 5.667 0.255 -8.045 114 HD13 ILE 15 HD13 ILE 15 7.139 0.594 -8.955 115 H ALA 16 H ALA 16 11.651 -2.134 -8.162 116 HA ALA 16 HA ALA 16 11.688 -3.785 -10.563 117 HB1 ALA 16 HB1 ALA 16 12.930 -1.736 -10.696 118 HB2 ALA 16 HB2 ALA 16 14.107 -3.048 -10.632 119 HB3 ALA 16 HB3 ALA 16 13.780 -2.086 -9.190 120 H ARG 17 H ARG 17 12.411 -4.033 -7.224 121 HA ARG 17 HA ARG 17 14.244 -6.268 -7.487 122 HB2 ARG 17 HB2 ARG 17 14.547 -4.719 -5.634 123 HB3 ARG 17 HB3 ARG 17 12.901 -5.021 -5.077 124 HG2 ARG 17 HG2 ARG 17 13.587 -6.821 -3.921 125 HG3 ARG 17 HG3 ARG 17 14.252 -7.538 -5.390 126 HD2 ARG 17 HD2 ARG 17 16.345 -6.361 -5.092 127 HD3 ARG 17 HD3 ARG 17 15.688 -5.442 -3.741 128 HE ARG 17 HE ARG 17 15.430 -8.121 -3.051 129 HH11 ARG 17 HH21 ARG 17 17.936 -5.889 -3.889 130 HH12 ARG 17 HH22 ARG 17 19.144 -6.670 -2.924 131 HH21 ARG 17 HH11 ARG 17 17.007 -9.152 -1.785 132 HH22 ARG 17 HH12 ARG 17 18.618 -8.519 -1.732 133 H GLY 18 H GLY 18 10.873 -5.715 -6.546 134 HA2 GLY 18 HA2 GLY 18 9.470 -7.690 -7.466 135 HA3 GLY 18 HA3 GLY 18 10.452 -8.624 -6.340 136 H ALA 19 H ALA 19 10.267 -5.810 -4.812 137 HA ALA 19 HA ALA 19 8.869 -6.403 -2.631 138 HB1 ALA 19 HB1 ALA 19 7.869 -3.880 -3.047 139 HB2 ALA 19 HB2 ALA 19 9.278 -3.900 -4.106 140 HB3 ALA 19 HB3 ALA 19 9.463 -4.239 -2.385 141 H LYS 20 H LYS 20 6.716 -6.303 -1.866 142 HA LYS 20 HA LYS 20 4.700 -6.714 -3.977 143 HB2 LYS 20 HB2 LYS 20 5.028 -7.814 -1.196 144 HB3 LYS 20 HB3 LYS 20 3.455 -7.808 -1.982 145 HG2 LYS 20 HG2 LYS 20 4.851 -8.865 -3.995 146 HG3 LYS 20 HG3 LYS 20 5.911 -9.360 -2.674 147 HD2 LYS 20 HD2 LYS 20 4.401 -11.152 -2.832 148 HD3 LYS 20 HD3 LYS 20 3.718 -10.175 -1.531 149 HE2 LYS 20 HE2 LYS 20 2.636 -9.071 -3.858 150 HE3 LYS 20 HE3 LYS 20 2.592 -10.811 -4.141 151 HZ1 LYS 20 HZ1 LYS 20 0.616 -9.862 -2.964 152 HZ2 LYS 20 HZ2 LYS 20 1.629 -9.555 -1.635 153 HZ3 LYS 20 HZ3 LYS 20 1.376 -11.150 -2.163 154 H LEU 21 H LEU 21 3.853 -4.703 -4.304 155 HA LEU 21 HA LEU 21 3.204 -2.962 -2.074 156 HB2 LEU 21 HB2 LEU 21 3.030 -2.786 -5.058 157 HB3 LEU 21 HB3 LEU 21 2.052 -1.691 -4.080 158 HG LEU 21 HG LEU 21 4.821 -1.918 -3.135 159 HD11 LEU 21 HD11 LEU 21 5.714 -0.503 -5.008 160 HD12 LEU 21 HD12 LEU 21 4.231 -0.832 -5.904 161 HD13 LEU 21 HD13 LEU 21 5.326 -2.153 -5.498 162 HD21 LEU 21 HD21 LEU 21 2.939 0.332 -3.904 163 HD22 LEU 21 HD22 LEU 21 4.563 0.602 -3.271 164 HD23 LEU 21 HD23 LEU 21 3.352 -0.208 -2.276 165 H ILE 22 H ILE 22 1.241 -2.724 -1.133 166 HA ILE 22 HA ILE 22 -1.047 -4.138 -2.355 167 HB ILE 22 HB ILE 22 -0.477 -4.075 0.610 168 HG12 ILE 22 HG12 ILE 22 0.105 -6.218 -1.459 169 HG13 ILE 22 HG13 ILE 22 1.288 -5.363 -0.468 170 HG21 ILE 22 HG21 ILE 22 -2.448 -5.179 0.833 171 HG22 ILE 22 HG22 ILE 22 -2.139 -6.191 -0.578 172 HG23 ILE 22 HG23 ILE 22 -2.806 -4.571 -0.783 173 HD11 ILE 22 HD11 ILE 22 0.862 -7.549 0.520 174 HD12 ILE 22 HD12 ILE 22 -0.874 -7.241 0.527 175 HD13 ILE 22 HD13 ILE 22 0.193 -6.303 1.573 176 H ASP 23 H ASP 23 -2.999 -3.148 -2.211 177 HA ASP 23 HA ASP 23 -3.029 -0.465 -0.969 178 HB2 ASP 23 HB2 ASP 23 -3.401 -0.924 -3.565 179 HB3 ASP 23 HB3 ASP 23 -5.044 -1.260 -3.020 180 H ILE 24 H ILE 24 -4.559 -0.006 0.527 181 HA ILE 24 HA ILE 24 -6.702 -1.986 0.964 182 HB ILE 24 HB ILE 24 -6.398 -1.455 3.446 183 HG12 ILE 24 HG12 ILE 24 -3.596 -0.724 2.591 184 HG13 ILE 24 HG13 ILE 24 -4.829 0.513 2.839 185 HG21 ILE 24 HG21 ILE 24 -5.636 -3.568 3.258 186 HG22 ILE 24 HG22 ILE 24 -4.016 -2.881 3.139 187 HG23 ILE 24 HG23 ILE 24 -4.931 -3.239 1.675 188 HD11 ILE 24 HD11 ILE 24 -4.631 -1.489 5.004 189 HD12 ILE 24 HD12 ILE 24 -4.805 0.264 5.102 190 HD13 ILE 24 HD13 ILE 24 -3.217 -0.451 4.823 191 H ARG 25 H ARG 25 -7.995 -0.516 -0.228 192 HA ARG 25 HA ARG 25 -9.235 1.509 1.445 193 HB2 ARG 25 HB2 ARG 25 -9.011 3.297 -0.219 194 HB3 ARG 25 HB3 ARG 25 -7.421 2.755 0.319 195 HG2 ARG 25 HG2 ARG 25 -7.195 1.344 -1.670 196 HG3 ARG 25 HG3 ARG 25 -8.812 1.806 -2.203 197 HD2 ARG 25 HD2 ARG 25 -8.126 3.849 -2.940 198 HD3 ARG 25 HD3 ARG 25 -7.001 4.064 -1.602 199 HE ARG 25 HE ARG 25 -6.024 2.051 -3.342 200 HH11 ARG 25 HH21 ARG 25 -6.592 5.458 -3.143 201 HH12 ARG 25 HH22 ARG 25 -5.300 5.877 -4.218 202 HH21 ARG 25 HH11 ARG 25 -4.326 2.592 -4.752 203 HH22 ARG 25 HH12 ARG 25 -4.017 4.254 -5.129 204 H ASP 26 H ASP 26 -10.426 2.684 -1.062 205 HA ASP 26 HA ASP 26 -12.422 0.563 -1.496 206 HB2 ASP 26 HB2 ASP 26 -12.491 3.557 -1.616 207 HB3 ASP 26 HB3 ASP 26 -13.661 2.626 -2.548 208 H ALA 27 H ALA 27 -12.191 -0.586 -3.310 209 HA ALA 27 HA ALA 27 -10.441 -0.167 -5.375 210 HB1 ALA 27 HB1 ALA 27 -12.932 -1.239 -6.410 211 HB2 ALA 27 HB2 ALA 27 -12.512 -1.966 -4.858 212 HB3 ALA 27 HB3 ALA 27 -11.371 -2.033 -6.202 213 H ASP 28 H ASP 28 -13.654 1.224 -4.956 214 HA ASP 28 HA ASP 28 -14.154 2.294 -7.448 215 HB2 ASP 28 HB2 ASP 28 -15.730 2.521 -5.598 216 HB3 ASP 28 HB3 ASP 28 -14.615 3.592 -4.750 217 H GLU 29 H GLU 29 -11.880 3.360 -4.997 218 HA GLU 29 HA GLU 29 -11.139 5.751 -6.481 219 HB2 GLU 29 HB2 GLU 29 -9.991 4.485 -3.979 220 HB3 GLU 29 HB3 GLU 29 -9.455 6.020 -4.664 221 HG2 GLU 29 HG2 GLU 29 -12.002 6.644 -4.552 222 HG3 GLU 29 HG3 GLU 29 -12.077 5.343 -3.364 223 H TYR 30 H TYR 30 -10.005 2.488 -5.929 224 HA TYR 30 HA TYR 30 -7.413 2.843 -7.099 225 HB2 TYR 30 HB2 TYR 30 -8.295 0.977 -5.494 226 HB3 TYR 30 HB3 TYR 30 -8.836 0.203 -6.983 227 HD1 TYR 30 HD2 TYR 30 -5.804 1.916 -5.577 228 HD2 TYR 30 HD1 TYR 30 -7.347 -1.194 -8.108 229 HE1 TYR 30 HE2 TYR 30 -3.496 1.108 -5.994 230 HE2 TYR 30 HE1 TYR 30 -5.040 -2.000 -8.523 231 HH TYR 30 HH TYR 30 -2.652 -1.655 -6.896 232 H LEU 31 H LEU 31 -10.602 2.021 -8.286 233 HA LEU 31 HA LEU 31 -9.847 0.973 -10.806 234 HB2 LEU 31 HB2 LEU 31 -12.171 1.042 -9.536 235 HB3 LEU 31 HB3 LEU 31 -12.388 2.511 -10.487 236 HG LEU 31 HG LEU 31 -11.569 1.021 -12.483 237 HD11 LEU 31 HD11 LEU 31 -11.483 -1.228 -12.184 238 HD12 LEU 31 HD12 LEU 31 -12.923 -1.236 -11.165 239 HD13 LEU 31 HD13 LEU 31 -11.351 -0.844 -10.467 240 HD21 LEU 31 HD21 LEU 31 -14.304 0.601 -11.234 241 HD22 LEU 31 HD22 LEU 31 -13.896 0.391 -12.937 242 HD23 LEU 31 HD23 LEU 31 -13.844 1.997 -12.210 243 H ARG 32 H ARG 32 -11.144 4.203 -9.990 244 HA ARG 32 HA ARG 32 -10.748 5.400 -12.468 245 HB2 ARG 32 HB2 ARG 32 -10.911 7.510 -11.331 246 HB3 ARG 32 HB3 ARG 32 -11.982 6.380 -10.505 247 HG2 ARG 32 HG2 ARG 32 -10.905 6.840 -8.588 248 HG3 ARG 32 HG3 ARG 32 -9.461 6.094 -9.269 249 HD2 ARG 32 HD2 ARG 32 -10.252 9.004 -9.287 250 HD3 ARG 32 HD3 ARG 32 -8.765 8.279 -8.684 251 HE ARG 32 HE ARG 32 -8.859 7.698 -11.400 252 HH11 ARG 32 HH21 ARG 32 -8.840 10.483 -9.349 253 HH12 ARG 32 HH22 ARG 32 -8.021 11.492 -10.494 254 HH21 ARG 32 HH11 ARG 32 -7.785 9.015 -12.908 255 HH22 ARG 32 HH12 ARG 32 -7.423 10.661 -12.509 256 H GLU 33 H GLU 33 -8.485 4.561 -10.000 257 HA GLU 33 HA GLU 33 -6.266 5.297 -11.734 258 HB2 GLU 33 HB2 GLU 33 -6.901 7.283 -10.165 259 HB3 GLU 33 HB3 GLU 33 -6.158 6.299 -8.904 260 HG2 GLU 33 HG2 GLU 33 -4.097 6.129 -10.278 261 HG3 GLU 33 HG3 GLU 33 -4.840 7.172 -11.490 262 H HIS 34 H HIS 34 -5.035 3.528 -11.766 263 HA HIS 34 HA HIS 34 -4.455 2.153 -9.232 264 HB2 HIS 34 HB2 HIS 34 -6.096 0.678 -9.950 265 HB3 HIS 34 HB3 HIS 34 -5.752 0.962 -11.656 266 HD1 HIS 34 HD1 HIS 34 -3.258 -0.006 -8.953 267 HD2 HIS 34 HD2 HIS 34 -4.916 -1.575 -12.441 268 HE1 HIS 34 HE1 HIS 34 -2.019 -2.163 -9.429 269 H ILE 35 H ILE 35 -2.495 0.974 -9.235 270 HA ILE 35 HA ILE 35 -0.646 1.778 -11.397 271 HB ILE 35 HB ILE 35 0.223 0.853 -8.675 272 HG12 ILE 35 HG12 ILE 35 -0.463 3.712 -9.425 273 HG13 ILE 35 HG13 ILE 35 -1.496 2.684 -8.432 274 HG21 ILE 35 HG21 ILE 35 1.589 1.501 -10.955 275 HG22 ILE 35 HG22 ILE 35 2.258 1.636 -9.329 276 HG23 ILE 35 HG23 ILE 35 1.565 3.053 -10.119 277 HD11 ILE 35 HD11 ILE 35 0.785 4.223 -7.623 278 HD12 ILE 35 HD12 ILE 35 1.139 2.515 -7.365 279 HD13 ILE 35 HD13 ILE 35 -0.286 3.242 -6.622 280 HA PRO 36 HA PRO 36 -1.181 -2.707 -12.239 281 HB2 PRO 36 HB2 PRO 36 0.650 -1.827 -14.428 282 HB3 PRO 36 HB3 PRO 36 -0.811 -2.829 -14.513 283 HG2 PRO 36 HG2 PRO 36 -0.809 -0.279 -15.296 284 HG3 PRO 36 HG3 PRO 36 -2.216 -1.019 -14.515 285 HD2 PRO 36 HD2 PRO 36 -0.272 0.948 -13.409 286 HD3 PRO 36 HD3 PRO 36 -1.979 0.688 -12.991 287 H GLU 37 H GLU 37 0.274 -2.553 -10.151 288 HA GLU 37 HA GLU 37 2.478 -4.259 -10.493 289 HB2 GLU 37 HB2 GLU 37 4.350 -2.791 -10.030 290 HB3 GLU 37 HB3 GLU 37 3.506 -2.206 -11.463 291 HG2 GLU 37 HG2 GLU 37 2.160 -0.739 -9.785 292 HG3 GLU 37 HG3 GLU 37 3.491 -1.072 -8.677 293 H ALA 38 H ALA 38 0.115 -3.658 -8.808 294 HA ALA 38 HA ALA 38 1.345 -4.236 -6.242 295 HB1 ALA 38 HB1 ALA 38 0.122 -2.441 -5.061 296 HB2 ALA 38 HB2 ALA 38 -0.411 -1.798 -6.614 297 HB3 ALA 38 HB3 ALA 38 1.303 -1.790 -6.198 298 H ASP 39 H ASP 39 -0.147 -5.114 -4.722 299 HA ASP 39 HA ASP 39 -2.402 -6.425 -6.002 300 HB2 ASP 39 HB2 ASP 39 -1.541 -6.630 -3.114 301 HB3 ASP 39 HB3 ASP 39 -2.523 -7.772 -4.031 302 H LEU 40 H LEU 40 -4.545 -6.169 -5.487 303 HA LEU 40 HA LEU 40 -5.205 -3.746 -3.931 304 HB2 LEU 40 HB2 LEU 40 -5.905 -3.634 -6.265 305 HB3 LEU 40 HB3 LEU 40 -6.753 -5.172 -6.107 306 HG LEU 40 HG LEU 40 -8.182 -4.144 -4.325 307 HD11 LEU 40 HD11 LEU 40 -6.362 -1.865 -4.923 308 HD12 LEU 40 HD12 LEU 40 -7.135 -2.319 -3.404 309 HD13 LEU 40 HD13 LEU 40 -8.058 -1.472 -4.646 310 HD21 LEU 40 HD21 LEU 40 -9.016 -2.283 -6.204 311 HD22 LEU 40 HD22 LEU 40 -9.487 -3.982 -6.172 312 HD23 LEU 40 HD23 LEU 40 -8.135 -3.461 -7.177 313 H ALA 41 H ALA 41 -5.897 -4.184 -1.929 314 HA ALA 41 HA ALA 41 -7.877 -6.320 -1.565 315 HB1 ALA 41 HB1 ALA 41 -6.227 -7.642 -0.735 316 HB2 ALA 41 HB2 ALA 41 -6.418 -6.640 0.704 317 HB3 ALA 41 HB3 ALA 41 -5.140 -6.280 -0.457 318 HA PRO 42 HA PRO 42 -9.470 -2.450 0.307 319 HB2 PRO 42 HB2 PRO 42 -11.609 -4.475 0.864 320 HB3 PRO 42 HB3 PRO 42 -11.765 -2.800 0.299 321 HG2 PRO 42 HG2 PRO 42 -12.026 -4.853 -1.374 322 HG3 PRO 42 HG3 PRO 42 -11.241 -3.346 -1.877 323 HD2 PRO 42 HD2 PRO 42 -10.019 -5.998 -1.300 324 HD3 PRO 42 HD3 PRO 42 -9.444 -4.700 -2.370 325 H LEU 43 H LEU 43 -8.840 -1.858 2.302 326 HA LEU 43 HA LEU 43 -7.712 -3.303 4.263 327 HB2 LEU 43 HB2 LEU 43 -8.461 -0.740 4.136 328 HB3 LEU 43 HB3 LEU 43 -9.707 -1.323 5.243 329 HG LEU 43 HG LEU 43 -6.754 -1.825 5.586 330 HD11 LEU 43 HD11 LEU 43 -8.421 0.475 6.275 331 HD12 LEU 43 HD12 LEU 43 -6.664 0.317 6.317 332 HD13 LEU 43 HD13 LEU 43 -7.632 -0.228 7.688 333 HD21 LEU 43 HD21 LEU 43 -7.767 -3.510 6.805 334 HD22 LEU 43 HD22 LEU 43 -9.235 -2.569 7.070 335 HD23 LEU 43 HD23 LEU 43 -7.784 -2.223 8.011 336 H SER 44 H SER 44 -11.172 -2.537 4.308 337 HA SER 44 HA SER 44 -12.023 -4.028 6.429 338 HB2 SER 44 HB2 SER 44 -14.006 -3.325 5.668 339 HB3 SER 44 HB3 SER 44 -13.241 -2.831 4.161 340 HG SER 44 HG SER 44 -13.603 -4.889 3.349 341 H VAL 45 H VAL 45 -10.883 -5.223 3.370 342 HA VAL 45 HA VAL 45 -11.977 -7.860 3.621 343 HB VAL 45 HB VAL 45 -10.929 -6.482 1.547 344 HG11 VAL 45 HG11 VAL 45 -8.618 -6.768 2.572 345 HG12 VAL 45 HG12 VAL 45 -8.780 -7.354 0.918 346 HG13 VAL 45 HG13 VAL 45 -8.781 -8.495 2.262 347 HG21 VAL 45 HG21 VAL 45 -12.334 -8.499 1.416 348 HG22 VAL 45 HG22 VAL 45 -10.957 -9.498 1.882 349 HG23 VAL 45 HG23 VAL 45 -10.945 -8.644 0.339 350 H LEU 46 H LEU 46 -8.879 -6.351 4.429 351 HA LEU 46 HA LEU 46 -7.725 -8.864 5.304 352 HB2 LEU 46 HB2 LEU 46 -6.387 -7.004 4.260 353 HB3 LEU 46 HB3 LEU 46 -6.658 -6.068 5.730 354 HG LEU 46 HG LEU 46 -5.689 -8.822 6.180 355 HD11 LEU 46 HD11 LEU 46 -3.338 -8.186 5.617 356 HD12 LEU 46 HD12 LEU 46 -3.950 -6.718 4.856 357 HD13 LEU 46 HD13 LEU 46 -4.373 -8.297 4.194 358 HD21 LEU 46 HD21 LEU 46 -5.997 -6.686 7.746 359 HD22 LEU 46 HD22 LEU 46 -4.369 -6.327 7.173 360 HD23 LEU 46 HD23 LEU 46 -4.691 -7.838 8.024 361 H GLU 47 H GLU 47 -8.952 -5.893 6.812 362 HA GLU 47 HA GLU 47 -8.317 -6.571 9.475 363 HB2 GLU 47 HB2 GLU 47 -9.224 -4.336 8.359 364 HB3 GLU 47 HB3 GLU 47 -10.773 -4.981 8.902 365 HG2 GLU 47 HG2 GLU 47 -9.324 -5.417 11.130 366 HG3 GLU 47 HG3 GLU 47 -8.455 -4.018 10.501 367 H GLN 48 H GLN 48 -10.972 -7.482 7.386 368 HA GLN 48 HA GLN 48 -12.388 -8.745 9.626 369 HB2 GLN 48 HB2 GLN 48 -14.277 -8.839 8.252 370 HB3 GLN 48 HB3 GLN 48 -13.511 -7.328 7.760 371 HG2 GLN 48 HG2 GLN 48 -12.301 -8.704 5.968 372 HG3 GLN 48 HG3 GLN 48 -13.438 -9.997 6.346 373 HE21 GLN 48 HE21 GLN 48 -14.158 -9.609 4.007 374 HE22 GLN 48 HE22 GLN 48 -15.291 -8.377 3.724 375 H SER 49 H SER 49 -10.826 -9.553 6.545 376 HA SER 49 HA SER 49 -11.304 -12.396 6.952 377 HB2 SER 49 HB2 SER 49 -11.255 -11.085 4.686 378 HB3 SER 49 HB3 SER 49 -9.511 -11.295 4.820 379 HG SER 49 HG SER 49 -11.531 -13.163 4.414 380 H GLY 50 H GLY 50 -8.444 -10.319 6.527 381 HA2 GLY 50 HA2 GLY 50 -6.402 -10.403 7.647 382 HA3 GLY 50 HA3 GLY 50 -6.996 -11.785 8.565 383 H LEU 51 H LEU 51 -5.649 -10.766 5.483 384 HA LEU 51 HA LEU 51 -4.976 -13.570 4.850 385 HB2 LEU 51 HB2 LEU 51 -6.296 -12.130 3.201 386 HB3 LEU 51 HB3 LEU 51 -4.804 -11.220 2.969 387 HG LEU 51 HG LEU 51 -3.678 -13.477 2.507 388 HD11 LEU 51 HD11 LEU 51 -5.570 -15.049 1.487 389 HD12 LEU 51 HD12 LEU 51 -6.565 -14.247 2.702 390 HD13 LEU 51 HD13 LEU 51 -5.129 -15.148 3.191 391 HD21 LEU 51 HD21 LEU 51 -5.652 -12.047 0.770 392 HD22 LEU 51 HD22 LEU 51 -4.968 -13.558 0.171 393 HD23 LEU 51 HD23 LEU 51 -3.906 -12.211 0.581 394 HA PRO 52 HA PRO 52 -0.940 -12.107 6.438 395 HB2 PRO 52 HB2 PRO 52 -0.306 -14.931 5.732 396 HB3 PRO 52 HB3 PRO 52 0.020 -14.040 7.231 397 HG2 PRO 52 HG2 PRO 52 -1.920 -15.874 7.058 398 HG3 PRO 52 HG3 PRO 52 -2.066 -14.434 8.078 399 HD2 PRO 52 HD2 PRO 52 -3.403 -15.045 5.487 400 HD3 PRO 52 HD3 PRO 52 -3.959 -14.034 6.837 401 H ALA 53 H ALA 53 -1.224 -10.966 4.174 402 HA ALA 53 HA ALA 53 -0.256 -12.014 1.798 403 HB1 ALA 53 HB1 ALA 53 -1.288 -9.791 1.961 404 HB2 ALA 53 HB2 ALA 53 0.288 -9.691 1.175 405 HB3 ALA 53 HB3 ALA 53 0.110 -9.201 2.859 406 H LYS 54 H LYS 54 1.424 -11.317 4.703 407 HA LYS 54 HA LYS 54 4.025 -10.842 3.712 408 HB2 LYS 54 HB2 LYS 54 3.915 -10.343 5.948 409 HB3 LYS 54 HB3 LYS 54 2.837 -11.690 6.307 410 HG2 LYS 54 HG2 LYS 54 4.671 -13.275 6.145 411 HG3 LYS 54 HG3 LYS 54 5.769 -12.005 5.602 412 HD2 LYS 54 HD2 LYS 54 5.549 -10.851 7.743 413 HD3 LYS 54 HD3 LYS 54 4.360 -12.035 8.285 414 HE2 LYS 54 HE2 LYS 54 7.067 -12.211 8.752 415 HE3 LYS 54 HE3 LYS 54 5.947 -13.572 8.795 416 HZ1 LYS 54 HZ1 LYS 54 7.199 -12.688 6.270 417 HZ2 LYS 54 HZ2 LYS 54 6.488 -14.187 6.634 418 HZ3 LYS 54 HZ3 LYS 54 7.988 -13.768 7.312 419 H LEU 55 H LEU 55 2.119 -13.719 3.938 420 HA LEU 55 HA LEU 55 4.335 -15.558 3.855 421 HB2 LEU 55 HB2 LEU 55 1.451 -15.705 4.099 422 HB3 LEU 55 HB3 LEU 55 2.045 -16.881 2.927 423 HG LEU 55 HG LEU 55 3.808 -17.509 4.683 424 HD11 LEU 55 HD11 LEU 55 1.887 -16.408 6.699 425 HD12 LEU 55 HD12 LEU 55 3.070 -15.311 5.987 426 HD13 LEU 55 HD13 LEU 55 3.611 -16.744 6.862 427 HD21 LEU 55 HD21 LEU 55 2.044 -18.811 6.030 428 HD22 LEU 55 HD22 LEU 55 2.047 -19.052 4.282 429 HD23 LEU 55 HD23 LEU 55 0.846 -17.995 5.025 430 H ARG 56 H ARG 56 2.778 -13.591 1.572 431 HA ARG 56 HA ARG 56 3.426 -15.349 -0.680 432 HB2 ARG 56 HB2 ARG 56 2.092 -12.632 -0.622 433 HB3 ARG 56 HB3 ARG 56 2.289 -13.649 -2.050 434 HG2 ARG 56 HG2 ARG 56 0.968 -15.431 -0.961 435 HG3 ARG 56 HG3 ARG 56 0.758 -14.404 0.457 436 HD2 ARG 56 HD2 ARG 56 -0.913 -14.488 -1.775 437 HD3 ARG 56 HD3 ARG 56 -0.916 -13.256 -0.518 438 HE ARG 56 HE ARG 56 0.984 -12.296 -2.124 439 HH11 ARG 56 HH21 ARG 56 -2.083 -13.732 -2.834 440 HH12 ARG 56 HH22 ARG 56 -2.329 -12.822 -4.287 441 HH21 ARG 56 HH11 ARG 56 0.666 -11.095 -4.028 442 HH22 ARG 56 HH12 ARG 56 -0.773 -11.329 -4.963 443 H HIS 57 H HIS 57 5.376 -13.866 1.129 444 HA HIS 57 HA HIS 57 7.453 -13.454 -0.607 445 HB2 HIS 57 HB2 HIS 57 5.521 -11.326 -0.845 446 HB3 HIS 57 HB3 HIS 57 7.043 -10.685 -0.230 447 HD1 HIS 57 HD1 HIS 57 6.319 -13.414 -2.807 448 HD2 HIS 57 HD2 HIS 57 8.460 -9.856 -2.442 449 HE1 HIS 57 HE1 HIS 57 7.579 -13.110 -4.983 450 H GLU 58 H GLU 58 8.815 -11.287 0.360 451 HA GLU 58 HA GLU 58 9.011 -11.894 3.250 452 HB2 GLU 58 HB2 GLU 58 10.938 -12.388 1.473 453 HB3 GLU 58 HB3 GLU 58 11.296 -10.685 1.765 454 HG2 GLU 58 HG2 GLU 58 11.268 -11.185 4.234 455 HG3 GLU 58 HG3 GLU 58 11.137 -12.894 3.829 456 H GLN 59 H GLN 59 9.187 -9.361 0.790 457 HA GLN 59 HA GLN 59 8.942 -7.335 2.930 458 HB2 GLN 59 HB2 GLN 59 10.393 -7.400 0.345 459 HB3 GLN 59 HB3 GLN 59 9.602 -5.878 0.754 460 HG2 GLN 59 HG2 GLN 59 10.749 -5.825 2.914 461 HG3 GLN 59 HG3 GLN 59 11.492 -7.388 2.580 462 HE21 GLN 59 HE21 GLN 59 13.690 -6.658 2.488 463 HE22 GLN 59 HE22 GLN 59 14.247 -5.580 1.301 464 H ILE 60 H ILE 60 7.160 -6.079 2.982 465 HA ILE 60 HA ILE 60 5.382 -6.058 0.633 466 HB ILE 60 HB ILE 60 4.137 -6.196 3.332 467 HG12 ILE 60 HG12 ILE 60 4.175 -8.738 3.088 468 HG13 ILE 60 HG13 ILE 60 5.466 -8.513 1.908 469 HG21 ILE 60 HG21 ILE 60 2.521 -7.597 1.965 470 HG22 ILE 60 HG22 ILE 60 3.509 -7.226 0.552 471 HG23 ILE 60 HG23 ILE 60 2.692 -5.927 1.423 472 HD11 ILE 60 HD11 ILE 60 5.986 -6.949 4.292 473 HD12 ILE 60 HD12 ILE 60 6.986 -8.190 3.538 474 HD13 ILE 60 HD13 ILE 60 5.745 -8.647 4.704 475 H ILE 61 H ILE 61 4.226 -4.177 0.333 476 HA ILE 61 HA ILE 61 4.703 -2.000 2.277 477 HB ILE 61 HB ILE 61 4.564 -1.577 -0.707 478 HG12 ILE 61 HG12 ILE 61 7.067 -1.825 0.990 479 HG13 ILE 61 HG13 ILE 61 6.475 -3.094 -0.083 480 HG21 ILE 61 HG21 ILE 61 5.554 0.057 1.647 481 HG22 ILE 61 HG22 ILE 61 4.140 0.393 0.647 482 HG23 ILE 61 HG23 ILE 61 5.758 0.530 -0.039 483 HD11 ILE 61 HD11 ILE 61 6.513 -0.641 -1.554 484 HD12 ILE 61 HD12 ILE 61 7.475 -2.093 -1.830 485 HD13 ILE 61 HD13 ILE 61 8.076 -0.828 -0.759 486 H PHE 62 H PHE 62 3.012 -0.537 2.562 487 HA PHE 62 HA PHE 62 0.475 -1.230 1.209 488 HB2 PHE 62 HB2 PHE 62 0.906 -0.549 4.125 489 HB3 PHE 62 HB3 PHE 62 -0.675 -0.693 3.355 490 HD1 PHE 62 HD2 PHE 62 2.347 -2.516 4.428 491 HD2 PHE 62 HD1 PHE 62 -1.551 -2.856 2.658 492 HE1 PHE 62 HE2 PHE 62 2.421 -4.975 4.740 493 HE2 PHE 62 HE1 PHE 62 -1.478 -5.316 2.970 494 HZ PHE 62 HZ PHE 62 0.508 -6.375 4.011 495 H HIS 63 H HIS 63 -0.732 0.443 0.474 496 HA HIS 63 HA HIS 63 -0.029 3.176 1.307 497 HB2 HIS 63 HB2 HIS 63 -0.359 3.666 -1.292 498 HB3 HIS 63 HB3 HIS 63 1.218 3.253 -0.620 499 HD1 HIS 63 HD1 HIS 63 -1.049 2.255 -3.223 500 HD2 HIS 63 HD2 HIS 63 1.609 0.232 -0.729 501 HE1 HIS 63 HE1 HIS 63 -0.623 0.005 -4.305 502 H CYS 64 H CYS 64 -1.739 4.518 1.463 503 HA CYS 64 HA CYS 64 -4.352 3.493 0.523 504 HB2 CYS 64 HB2 CYS 64 -4.403 3.517 2.901 505 HB3 CYS 64 HB3 CYS 64 -3.615 5.093 2.976 506 HG CYS 64 HG CYS 64 -6.600 4.619 2.498 507 H GLN 65 H GLN 65 -5.870 5.038 -0.260 508 HA GLN 65 HA GLN 65 -5.226 6.745 -2.183 509 HB2 GLN 65 HB2 GLN 65 -7.552 6.363 -1.428 510 HB3 GLN 65 HB3 GLN 65 -7.273 7.447 -0.065 511 HG2 GLN 65 HG2 GLN 65 -6.399 8.870 -2.326 512 HG3 GLN 65 HG3 GLN 65 -7.909 8.104 -2.816 513 HE21 GLN 65 HE21 GLN 65 -9.622 9.512 -2.457 514 HE22 GLN 65 HE22 GLN 65 -9.775 10.538 -1.114 515 H ALA 66 H ALA 66 -5.415 7.826 1.215 516 HA ALA 66 HA ALA 66 -3.290 9.775 0.660 517 HB1 ALA 66 HB1 ALA 66 -5.313 11.064 0.342 518 HB2 ALA 66 HB2 ALA 66 -4.588 11.529 1.881 519 HB3 ALA 66 HB3 ALA 66 -5.985 10.454 1.855 520 H GLY 67 H GLY 67 -2.716 7.543 1.971 521 HA2 GLY 67 HA2 GLY 67 -2.094 6.589 3.988 522 HA3 GLY 67 HA3 GLY 67 -1.554 8.229 4.334 523 H LYS 68 H LYS 68 -4.802 6.792 4.005 524 HA LYS 68 HA LYS 68 -5.453 7.896 6.671 525 HB2 LYS 68 HB2 LYS 68 -6.817 8.945 5.000 526 HB3 LYS 68 HB3 LYS 68 -7.194 7.393 4.251 527 HG2 LYS 68 HG2 LYS 68 -8.852 6.970 5.728 528 HG3 LYS 68 HG3 LYS 68 -7.853 7.446 7.101 529 HD2 LYS 68 HD2 LYS 68 -8.433 9.721 6.892 530 HD3 LYS 68 HD3 LYS 68 -8.999 9.516 5.234 531 HE2 LYS 68 HE2 LYS 68 -11.062 8.835 5.895 532 HE3 LYS 68 HE3 LYS 68 -10.414 7.838 7.197 533 HZ1 LYS 68 HZ1 LYS 68 -10.449 9.557 8.664 534 HZ2 LYS 68 HZ2 LYS 68 -11.764 10.014 7.690 535 HZ3 LYS 68 HZ3 LYS 68 -10.247 10.746 7.472 536 H ARG 69 H ARG 69 -5.926 5.135 4.500 537 HA ARG 69 HA ARG 69 -7.167 3.543 6.584 538 HB2 ARG 69 HB2 ARG 69 -6.188 2.624 3.876 539 HB3 ARG 69 HB3 ARG 69 -7.385 1.843 4.908 540 HG2 ARG 69 HG2 ARG 69 -7.825 4.671 3.988 541 HG3 ARG 69 HG3 ARG 69 -8.203 3.327 2.910 542 HD2 ARG 69 HD2 ARG 69 -10.047 2.768 4.089 543 HD3 ARG 69 HD3 ARG 69 -9.199 2.900 5.627 544 HE ARG 69 HE ARG 69 -9.614 5.502 4.710 545 HH11 ARG 69 HH21 ARG 69 -11.455 2.719 5.627 546 HH12 ARG 69 HH22 ARG 69 -12.812 3.633 6.196 547 HH21 ARG 69 HH11 ARG 69 -11.392 6.708 5.455 548 HH22 ARG 69 HH12 ARG 69 -12.776 5.890 6.098 549 H THR 70 H THR 70 -4.013 3.916 5.099 550 HA THR 70 HA THR 70 -2.834 1.530 6.076 551 HB THR 70 HB THR 70 -1.203 4.011 5.739 552 HG1 THR 70 HG1 THR 70 -1.407 3.239 3.379 553 HG21 THR 70 HG21 THR 70 0.180 2.319 4.443 554 HG22 THR 70 HG22 THR 70 -0.969 1.092 4.978 555 HG23 THR 70 HG23 THR 70 -0.007 1.978 6.163 556 H SER 71 H SER 71 -3.012 4.827 7.380 557 HA SER 71 HA SER 71 -1.394 4.408 9.651 558 HB2 SER 71 HB2 SER 71 -2.843 6.534 8.566 559 HB3 SER 71 HB3 SER 71 -3.579 6.259 10.142 560 HG SER 71 HG SER 71 -1.592 7.659 9.936 561 H ASN 72 H ASN 72 -4.663 3.502 8.929 562 HA ASN 72 HA ASN 72 -5.357 3.006 11.712 563 HB2 ASN 72 HB2 ASN 72 -7.166 3.756 10.366 564 HB3 ASN 72 HB3 ASN 72 -6.803 2.587 9.098 565 HD21 ASN 72 HD21 ASN 72 -8.627 3.092 11.982 566 HD22 ASN 72 HD22 ASN 72 -9.179 1.498 12.169 567 H ASN 73 H ASN 73 -4.679 1.112 8.779 568 HA ASN 73 HA ASN 73 -4.833 -1.386 10.279 569 HB2 ASN 73 HB2 ASN 73 -5.560 -0.924 7.790 570 HB3 ASN 73 HB3 ASN 73 -3.856 -1.221 7.455 571 HD21 ASN 73 HD21 ASN 73 -3.387 -3.380 7.059 572 HD22 ASN 73 HD22 ASN 73 -4.266 -4.697 7.672 573 H ALA 74 H ALA 74 -2.493 0.944 9.424 574 HA ALA 74 HA ALA 74 -0.150 -0.392 8.985 575 HB1 ALA 74 HB1 ALA 74 0.373 1.806 9.104 576 HB2 ALA 74 HB2 ALA 74 0.671 1.477 10.811 577 HB3 ALA 74 HB3 ALA 74 -0.882 2.136 10.297 578 H ASP 75 H ASP 75 -1.872 -0.051 12.047 579 HA ASP 75 HA ASP 75 0.172 -1.389 13.580 580 HB2 ASP 75 HB2 ASP 75 -2.614 -0.415 14.143 581 HB3 ASP 75 HB3 ASP 75 -1.774 -1.449 15.297 582 H LYS 76 H LYS 76 -2.681 -2.306 11.796 583 HA LYS 76 HA LYS 76 -2.923 -4.905 13.029 584 HB2 LYS 76 HB2 LYS 76 -4.151 -3.730 10.528 585 HB3 LYS 76 HB3 LYS 76 -4.552 -5.317 11.185 586 HG2 LYS 76 HG2 LYS 76 -4.672 -2.956 13.019 587 HG3 LYS 76 HG3 LYS 76 -5.974 -3.172 11.849 588 HD2 LYS 76 HD2 LYS 76 -6.667 -5.189 12.786 589 HD3 LYS 76 HD3 LYS 76 -5.087 -5.516 13.499 590 HE2 LYS 76 HE2 LYS 76 -6.902 -3.264 14.401 591 HE3 LYS 76 HE3 LYS 76 -6.842 -4.847 15.178 592 HZ1 LYS 76 HZ1 LYS 76 -4.418 -4.483 15.471 593 HZ2 LYS 76 HZ2 LYS 76 -5.388 -3.395 16.345 594 HZ3 LYS 76 HZ3 LYS 76 -4.625 -2.895 14.912 595 H LEU 77 H LEU 77 -1.191 -3.522 10.351 596 HA LEU 77 HA LEU 77 -0.661 -6.031 9.033 597 HB2 LEU 77 HB2 LEU 77 0.499 -3.257 8.733 598 HB3 LEU 77 HB3 LEU 77 1.022 -4.633 7.760 599 HG LEU 77 HG LEU 77 -1.876 -3.786 7.980 600 HD11 LEU 77 HD11 LEU 77 -1.214 -3.034 5.493 601 HD12 LEU 77 HD12 LEU 77 0.347 -2.770 6.270 602 HD13 LEU 77 HD13 LEU 77 -1.087 -1.933 6.865 603 HD21 LEU 77 HD21 LEU 77 -0.335 -5.884 6.571 604 HD22 LEU 77 HD22 LEU 77 -1.511 -5.031 5.572 605 HD23 LEU 77 HD23 LEU 77 -2.035 -5.859 7.038 606 H ALA 78 H ALA 78 1.396 -3.716 10.814 607 HA ALA 78 HA ALA 78 3.767 -5.031 10.910 608 HB1 ALA 78 HB1 ALA 78 3.900 -3.075 12.089 609 HB2 ALA 78 HB2 ALA 78 3.729 -4.182 13.452 610 HB3 ALA 78 HB3 ALA 78 2.325 -3.300 12.850 611 H ALA 79 H ALA 79 0.841 -5.878 12.670 612 HA ALA 79 HA ALA 79 2.118 -7.879 14.302 613 HB1 ALA 79 HB1 ALA 79 -0.825 -7.880 13.764 614 HB2 ALA 79 HB2 ALA 79 -0.125 -6.548 14.684 615 HB3 ALA 79 HB3 ALA 79 0.040 -8.204 15.266 616 H ILE 80 H ILE 80 -0.027 -7.952 11.455 617 HA ILE 80 HA ILE 80 0.140 -10.811 11.196 618 HB ILE 80 HB ILE 80 -0.873 -8.668 9.315 619 HG12 ILE 80 HG12 ILE 80 -2.348 -10.702 11.017 620 HG13 ILE 80 HG13 ILE 80 -2.103 -9.017 11.480 621 HG21 ILE 80 HG21 ILE 80 -1.052 -11.693 9.156 622 HG22 ILE 80 HG22 ILE 80 -0.171 -10.642 8.047 623 HG23 ILE 80 HG23 ILE 80 -1.932 -10.576 8.113 624 HD11 ILE 80 HD11 ILE 80 -3.148 -9.226 8.773 625 HD12 ILE 80 HD12 ILE 80 -3.786 -8.326 10.149 626 HD13 ILE 80 HD13 ILE 80 -4.209 -10.025 9.933 627 H ALA 81 H ALA 81 2.118 -8.178 10.254 628 HA ALA 81 HA ALA 81 3.413 -9.709 8.114 629 HB1 ALA 81 HB1 ALA 81 2.838 -7.235 7.890 630 HB2 ALA 81 HB2 ALA 81 4.499 -7.684 7.502 631 HB3 ALA 81 HB3 ALA 81 4.128 -6.931 9.053 632 H ALA 82 H ALA 82 3.578 -9.838 11.304 633 HA ALA 82 HA ALA 82 5.224 -10.207 12.892 634 HB1 ALA 82 HB1 ALA 82 6.163 -12.200 12.419 635 HB2 ALA 82 HB2 ALA 82 7.018 -11.555 11.018 636 HB3 ALA 82 HB3 ALA 82 5.342 -12.081 10.863 637 HA PRO 83 HA PRO 83 8.750 -7.618 12.838 638 HB2 PRO 83 HB2 PRO 83 10.731 -9.790 13.080 639 HB3 PRO 83 HB3 PRO 83 10.330 -8.498 14.223 640 HG2 PRO 83 HG2 PRO 83 9.662 -11.067 14.642 641 HG3 PRO 83 HG3 PRO 83 8.682 -9.710 15.224 642 HD2 PRO 83 HD2 PRO 83 8.196 -11.521 12.893 643 HD3 PRO 83 HD3 PRO 83 7.028 -10.761 13.998 644 H ALA 84 H ALA 84 8.054 -9.335 10.287 645 HA ALA 84 HA ALA 84 10.310 -9.740 8.718 646 HB1 ALA 84 HB1 ALA 84 7.711 -10.092 8.272 647 HB2 ALA 84 HB2 ALA 84 8.859 -9.941 6.942 648 HB3 ALA 84 HB3 ALA 84 7.893 -8.550 7.436 649 H GLU 85 H GLU 85 9.683 -8.002 6.461 650 HA GLU 85 HA GLU 85 10.796 -5.450 7.466 651 HB2 GLU 85 HB2 GLU 85 11.497 -7.001 4.967 652 HB3 GLU 85 HB3 GLU 85 11.975 -5.324 5.235 653 HG2 GLU 85 HG2 GLU 85 12.607 -6.844 7.586 654 HG3 GLU 85 HG3 GLU 85 13.266 -7.678 6.180 655 H ILE 86 H ILE 86 8.954 -4.230 7.451 656 HA ILE 86 HA ILE 86 7.505 -4.037 4.879 657 HB ILE 86 HB ILE 86 6.402 -3.233 7.568 658 HG12 ILE 86 HG12 ILE 86 5.133 -5.556 7.040 659 HG13 ILE 86 HG13 ILE 86 6.705 -5.924 6.330 660 HG21 ILE 86 HG21 ILE 86 5.403 -2.437 5.350 661 HG22 ILE 86 HG22 ILE 86 4.299 -3.274 6.442 662 HG23 ILE 86 HG23 ILE 86 4.978 -4.123 5.053 663 HD11 ILE 86 HD11 ILE 86 7.827 -5.387 8.424 664 HD12 ILE 86 HD12 ILE 86 6.556 -6.567 8.742 665 HD13 ILE 86 HD13 ILE 86 6.302 -4.869 9.144 666 H PHE 87 H PHE 87 7.018 -2.011 4.064 667 HA PHE 87 HA PHE 87 8.463 0.243 5.326 668 HB2 PHE 87 HB2 PHE 87 7.833 -0.242 2.403 669 HB3 PHE 87 HB3 PHE 87 8.633 1.191 3.047 670 HD1 PHE 87 HD1 PHE 87 10.656 0.576 4.744 671 HD2 PHE 87 HD2 PHE 87 9.216 -1.903 1.547 672 HE1 PHE 87 HE1 PHE 87 12.835 -0.605 4.680 673 HE2 PHE 87 HE2 PHE 87 11.395 -3.085 1.481 674 HZ PHE 87 HZ PHE 87 13.205 -2.436 3.048 675 H LEU 88 H LEU 88 7.476 2.418 4.377 676 HA LEU 88 HA LEU 88 4.533 2.228 4.391 677 HB2 LEU 88 HB2 LEU 88 6.084 3.163 6.563 678 HB3 LEU 88 HB3 LEU 88 5.365 4.588 5.810 679 HG LEU 88 HG LEU 88 3.841 2.097 6.613 680 HD11 LEU 88 HD11 LEU 88 4.864 3.955 8.324 681 HD12 LEU 88 HD12 LEU 88 3.364 3.074 8.618 682 HD13 LEU 88 HD13 LEU 88 3.313 4.696 7.927 683 HD21 LEU 88 HD21 LEU 88 2.224 4.436 6.278 684 HD22 LEU 88 HD22 LEU 88 2.179 2.940 5.344 685 HD23 LEU 88 HD23 LEU 88 3.232 4.262 4.841 686 H LEU 89 H LEU 89 3.608 3.415 2.857 687 HA LEU 89 HA LEU 89 5.279 5.144 1.211 688 HB2 LEU 89 HB2 LEU 89 3.445 3.404 0.454 689 HB3 LEU 89 HB3 LEU 89 2.351 4.759 0.735 690 HG LEU 89 HG LEU 89 3.030 4.882 -1.566 691 HD11 LEU 89 HD11 LEU 89 3.082 6.998 -0.128 692 HD12 LEU 89 HD12 LEU 89 3.975 7.068 -1.646 693 HD13 LEU 89 HD13 LEU 89 4.837 6.831 -0.125 694 HD21 LEU 89 HD21 LEU 89 5.900 5.238 -1.161 695 HD22 LEU 89 HD22 LEU 89 5.056 4.185 -2.297 696 HD23 LEU 89 HD23 LEU 89 5.356 3.642 -0.646 697 H GLU 90 H GLU 90 5.617 7.085 2.188 698 HA GLU 90 HA GLU 90 3.880 8.478 3.859 699 HB2 GLU 90 HB2 GLU 90 6.391 8.918 3.069 700 HB3 GLU 90 HB3 GLU 90 5.581 10.054 1.990 701 HG2 GLU 90 HG2 GLU 90 4.566 11.211 3.833 702 HG3 GLU 90 HG3 GLU 90 5.064 9.961 4.971 703 H ASP 91 H ASP 91 1.943 9.331 3.505 704 HA ASP 91 HA ASP 91 0.301 10.610 2.474 705 HB2 ASP 91 HB2 ASP 91 2.514 11.383 1.055 706 HB3 ASP 91 HB3 ASP 91 1.509 10.667 -0.204 707 H GLY 92 H GLY 92 1.859 8.251 0.296 708 HA2 GLY 92 HA2 GLY 92 0.595 6.134 -0.042 709 HA3 GLY 92 HA3 GLY 92 -0.830 7.144 -0.268 710 H ILE 93 H ILE 93 -1.378 6.889 -2.354 711 HA ILE 93 HA ILE 93 0.576 6.590 -4.449 712 HB ILE 93 HB ILE 93 -1.540 5.444 -4.666 713 HG12 ILE 93 HG12 ILE 93 -1.361 7.787 -6.590 714 HG13 ILE 93 HG13 ILE 93 -0.499 6.256 -6.749 715 HG21 ILE 93 HG21 ILE 93 -3.237 7.762 -5.141 716 HG22 ILE 93 HG22 ILE 93 -2.582 7.767 -3.503 717 HG23 ILE 93 HG23 ILE 93 -3.507 6.380 -4.078 718 HD11 ILE 93 HD11 ILE 93 -2.355 5.876 -8.107 719 HD12 ILE 93 HD12 ILE 93 -3.429 6.822 -7.077 720 HD13 ILE 93 HD13 ILE 93 -2.911 5.214 -6.570 721 H ASP 94 H ASP 94 -1.332 9.200 -3.104 722 HA ASP 94 HA ASP 94 -1.304 11.093 -5.102 723 HB2 ASP 94 HB2 ASP 94 -2.313 11.364 -2.825 724 HB3 ASP 94 HB3 ASP 94 -0.694 11.663 -2.196 725 H GLY 95 H GLY 95 1.362 9.955 -3.144 726 HA2 GLY 95 HA2 GLY 95 3.180 12.058 -3.902 727 HA3 GLY 95 HA3 GLY 95 3.597 10.563 -3.068 728 H TRP 96 H TRP 96 2.961 8.583 -4.698 729 HA TRP 96 HA TRP 96 4.981 8.368 -6.547 730 HB2 TRP 96 HB2 TRP 96 3.232 6.619 -5.681 731 HB3 TRP 96 HB3 TRP 96 2.333 7.084 -7.125 732 HD1 TRP 96 HD1 TRP 96 5.946 6.005 -6.230 733 HE1 TRP 96 HE1 TRP 96 6.841 4.549 -8.161 734 HE3 TRP 96 HE3 TRP 96 1.967 6.229 -9.422 735 HZ2 TRP 96 HZ2 TRP 96 5.982 3.604 -10.722 736 HZ3 TRP 96 HZ3 TRP 96 2.031 5.044 -11.598 737 HH2 TRP 96 HH2 TRP 96 4.031 3.733 -12.251 738 H LYS 97 H LYS 97 1.832 9.861 -6.936 739 HA LYS 97 HA LYS 97 1.988 10.127 -9.789 740 HB2 LYS 97 HB2 LYS 97 -0.128 10.163 -8.364 741 HB3 LYS 97 HB3 LYS 97 0.314 11.814 -7.929 742 HG2 LYS 97 HG2 LYS 97 0.591 12.045 -10.573 743 HG3 LYS 97 HG3 LYS 97 -0.573 10.720 -10.563 744 HD2 LYS 97 HD2 LYS 97 -0.922 13.372 -9.133 745 HD3 LYS 97 HD3 LYS 97 -1.719 12.908 -10.637 746 HE2 LYS 97 HE2 LYS 97 -2.682 10.920 -9.405 747 HE3 LYS 97 HE3 LYS 97 -2.053 11.623 -7.916 748 HZ1 LYS 97 HZ1 LYS 97 -3.643 13.339 -9.667 749 HZ2 LYS 97 HZ2 LYS 97 -3.535 13.320 -7.971 750 HZ3 LYS 97 HZ3 LYS 97 -4.466 12.150 -8.779 751 H ARG 98 H ARG 98 2.350 12.442 -7.095 752 HA ARG 98 HA ARG 98 3.180 14.610 -8.729 753 HB2 ARG 98 HB2 ARG 98 2.364 15.194 -6.596 754 HB3 ARG 98 HB3 ARG 98 3.397 14.017 -5.784 755 HG2 ARG 98 HG2 ARG 98 5.379 15.303 -6.291 756 HG3 ARG 98 HG3 ARG 98 4.458 16.404 -7.316 757 HD2 ARG 98 HD2 ARG 98 3.662 17.584 -5.547 758 HD3 ARG 98 HD3 ARG 98 3.403 16.136 -4.580 759 HE ARG 98 HE ARG 98 6.163 17.081 -4.952 760 HH11 ARG 98 HH21 ARG 98 3.352 16.650 -2.975 761 HH12 ARG 98 HH22 ARG 98 4.195 16.899 -1.483 762 HH21 ARG 98 HH11 ARG 98 7.271 17.414 -2.996 763 HH22 ARG 98 HH12 ARG 98 6.412 17.332 -1.495 764 H ALA 99 H ALA 99 4.862 11.931 -7.246 765 HA ALA 99 HA ALA 99 7.481 12.838 -7.203 766 HB1 ALA 99 HB1 ALA 99 7.186 10.098 -8.224 767 HB2 ALA 99 HB2 ALA 99 6.255 10.428 -6.763 768 HB3 ALA 99 HB3 ALA 99 8.000 10.681 -6.772 769 H GLY 100 H GLY 100 5.445 12.525 -9.885 770 HA2 GLY 100 HA2 GLY 100 6.079 13.422 -12.014 771 HA3 GLY 100 HA3 GLY 100 7.737 12.923 -11.692 772 H LEU 101 H LEU 101 5.138 10.753 -10.951 773 HA LEU 101 HA LEU 101 5.879 9.102 -13.286 774 HB2 LEU 101 HB2 LEU 101 4.826 8.115 -10.628 775 HB3 LEU 101 HB3 LEU 101 5.461 7.140 -11.953 776 HG LEU 101 HG LEU 101 7.134 9.264 -10.610 777 HD11 LEU 101 HD11 LEU 101 7.142 6.321 -9.905 778 HD12 LEU 101 HD12 LEU 101 6.249 7.521 -8.970 779 HD13 LEU 101 HD13 LEU 101 8.005 7.629 -9.095 780 HD21 LEU 101 HD21 LEU 101 8.898 7.504 -11.428 781 HD22 LEU 101 HD22 LEU 101 8.165 8.592 -12.606 782 HD23 LEU 101 HD23 LEU 101 7.587 6.933 -12.460 783 HA PRO 102 HA PRO 102 1.601 9.554 -14.381 784 HB2 PRO 102 HB2 PRO 102 1.455 7.630 -16.306 785 HB3 PRO 102 HB3 PRO 102 2.271 9.186 -16.552 786 HG2 PRO 102 HG2 PRO 102 3.430 6.511 -15.981 787 HG3 PRO 102 HG3 PRO 102 4.029 7.804 -17.033 788 HD2 PRO 102 HD2 PRO 102 5.011 7.303 -14.499 789 HD3 PRO 102 HD3 PRO 102 5.109 8.879 -15.315 790 H VAL 103 H VAL 103 -0.434 8.355 -14.384 791 HA VAL 103 HA VAL 103 -0.343 5.980 -12.629 792 HB VAL 103 HB VAL 103 -2.845 6.753 -12.303 793 HG11 VAL 103 HG11 VAL 103 -1.688 8.557 -10.617 794 HG12 VAL 103 HG12 VAL 103 -0.298 7.553 -11.030 795 HG13 VAL 103 HG13 VAL 103 -1.732 6.820 -10.312 796 HG21 VAL 103 HG21 VAL 103 -2.716 8.544 -14.000 797 HG22 VAL 103 HG22 VAL 103 -1.423 9.316 -13.081 798 HG23 VAL 103 HG23 VAL 103 -3.047 9.209 -12.400 799 H ALA 104 H ALA 104 -2.410 4.592 -12.921 800 HA ALA 104 HA ALA 104 -3.113 4.418 -15.783 801 HB1 ALA 104 HB1 ALA 104 -3.029 1.792 -14.658 802 HB2 ALA 104 HB2 ALA 104 -1.487 2.587 -14.336 803 HB3 ALA 104 HB3 ALA 104 -2.078 2.446 -15.992 804 H VAL 105 H VAL 105 -5.241 4.495 -16.032 805 HA VAL 105 HA VAL 105 -6.978 3.833 -13.757 806 HB VAL 105 HB VAL 105 -7.764 5.068 -16.400 807 HG11 VAL 105 HG11 VAL 105 -9.505 6.020 -14.606 808 HG12 VAL 105 HG12 VAL 105 -9.074 4.529 -13.770 809 HG13 VAL 105 HG13 VAL 105 -9.752 4.463 -15.396 810 HG21 VAL 105 HG21 VAL 105 -7.769 7.182 -14.814 811 HG22 VAL 105 HG22 VAL 105 -6.272 6.674 -15.594 812 HG23 VAL 105 HG23 VAL 105 -6.574 6.254 -13.908 813 H ASN 106 H ASN 106 -8.574 2.271 -13.871 814 HA ASN 106 HA ASN 106 -8.079 0.085 -15.645 815 HB2 ASN 106 HB2 ASN 106 -9.308 0.363 -13.203 816 HB3 ASN 106 HB3 ASN 106 -10.678 0.108 -14.282 817 HD21 ASN 106 HD21 ASN 106 -11.127 -2.047 -14.756 818 HD22 ASN 106 HD22 ASN 106 -10.022 -3.325 -14.597 819 H LYS 107 H LYS 107 -8.552 0.266 -17.746 820 HA LYS 107 HA LYS 107 -10.518 1.973 -18.841 821 HB2 LYS 107 HB2 LYS 107 -8.466 0.822 -19.966 822 HB3 LYS 107 HB3 LYS 107 -9.586 -0.512 -20.245 823 HG2 LYS 107 HG2 LYS 107 -11.101 0.925 -21.463 824 HG3 LYS 107 HG3 LYS 107 -10.159 2.355 -21.039 825 HD2 LYS 107 HD2 LYS 107 -8.336 0.549 -22.223 826 HD3 LYS 107 HD3 LYS 107 -9.776 0.524 -23.241 827 HE2 LYS 107 HE2 LYS 107 -9.695 2.885 -23.586 828 HE3 LYS 107 HE3 LYS 107 -8.506 3.102 -22.301 829 HZ1 LYS 107 HZ1 LYS 107 -6.844 2.098 -23.576 830 HZ2 LYS 107 HZ2 LYS 107 -7.654 3.117 -24.669 831 HZ3 LYS 107 HZ3 LYS 107 -7.948 1.444 -24.686 Start of MODEL 2 1 H MET 1 H1 MET 1 8.328 -5.040 15.742 2 HA MET 1 HA MET 1 6.557 -4.551 13.905 3 HB2 MET 1 HB2 MET 1 5.507 -2.274 14.813 4 HB3 MET 1 HB3 MET 1 4.687 -3.817 15.054 5 HG2 MET 1 HG2 MET 1 5.340 -3.962 17.300 6 HG3 MET 1 HG3 MET 1 6.685 -2.842 17.082 7 HE1 MET 1 HE1 MET 1 2.703 -2.003 18.742 8 HE2 MET 1 HE2 MET 1 3.880 -3.300 18.930 9 HE3 MET 1 HE3 MET 1 2.822 -3.276 17.521 10 H ALA 2 H ALA 2 8.226 -3.880 12.685 11 HA ALA 2 HA ALA 2 9.810 -1.575 13.643 12 HB1 ALA 2 HB1 ALA 2 10.660 -4.092 12.728 13 HB2 ALA 2 HB2 ALA 2 11.663 -2.671 13.018 14 HB3 ALA 2 HB3 ALA 2 11.003 -2.971 11.410 15 H LEU 3 H LEU 3 7.215 -1.982 11.913 16 HA LEU 3 HA LEU 3 7.523 -1.214 9.306 17 HB2 LEU 3 HB2 LEU 3 5.342 -0.196 9.431 18 HB3 LEU 3 HB3 LEU 3 5.343 -1.605 10.492 19 HG LEU 3 HG LEU 3 6.203 0.313 12.220 20 HD11 LEU 3 HD11 LEU 3 5.207 2.391 11.831 21 HD12 LEU 3 HD12 LEU 3 4.034 1.726 10.695 22 HD13 LEU 3 HD13 LEU 3 5.715 1.929 10.207 23 HD21 LEU 3 HD21 LEU 3 4.460 -0.969 13.020 24 HD22 LEU 3 HD22 LEU 3 3.546 -0.849 11.516 25 HD23 LEU 3 HD23 LEU 3 3.561 0.502 12.650 26 H THR 4 H THR 4 8.421 0.447 8.275 27 HA THR 4 HA THR 4 8.870 2.954 9.783 28 HB THR 4 HB THR 4 10.670 1.930 7.587 29 HG1 THR 4 HG1 THR 4 11.940 1.067 9.173 30 HG21 THR 4 HG21 THR 4 10.791 4.325 8.085 31 HG22 THR 4 HG22 THR 4 12.254 3.517 8.649 32 HG23 THR 4 HG23 THR 4 10.997 3.974 9.800 33 H THR 5 H THR 5 8.959 4.897 8.475 34 HA THR 5 HA THR 5 6.990 4.812 6.327 35 HB THR 5 HB THR 5 7.436 7.377 6.437 36 HG1 THR 5 HG1 THR 5 9.344 7.171 7.673 37 HG21 THR 5 HG21 THR 5 6.197 7.203 8.859 38 HG22 THR 5 HG22 THR 5 5.975 5.561 8.255 39 HG23 THR 5 HG23 THR 5 5.384 6.933 7.317 40 H ILE 6 H ILE 6 7.368 5.419 4.206 41 HA ILE 6 HA ILE 6 10.152 6.017 3.464 42 HB ILE 6 HB ILE 6 8.903 3.517 3.043 43 HG12 ILE 6 HG12 ILE 6 11.347 4.648 1.668 44 HG13 ILE 6 HG13 ILE 6 11.332 4.119 3.347 45 HG21 ILE 6 HG21 ILE 6 8.878 3.302 0.616 46 HG22 ILE 6 HG22 ILE 6 9.341 4.993 0.433 47 HG23 ILE 6 HG23 ILE 6 7.758 4.579 1.092 48 HD11 ILE 6 HD11 ILE 6 10.406 2.302 1.125 49 HD12 ILE 6 HD12 ILE 6 10.908 1.866 2.759 50 HD13 ILE 6 HD13 ILE 6 12.107 2.402 1.581 51 H SER 7 H SER 7 10.341 6.783 1.215 52 HA SER 7 HA SER 7 8.025 8.478 0.541 53 HB2 SER 7 HB2 SER 7 9.976 9.804 0.923 54 HB3 SER 7 HB3 SER 7 10.977 8.734 -0.054 55 HG SER 7 HG SER 7 9.577 9.337 -1.839 56 HA PRO 8 HA PRO 8 6.879 6.095 -2.987 57 HB2 PRO 8 HB2 PRO 8 7.094 8.721 -4.413 58 HB3 PRO 8 HB3 PRO 8 5.780 7.529 -4.432 59 HG2 PRO 8 HG2 PRO 8 5.684 9.803 -2.982 60 HG3 PRO 8 HG3 PRO 8 4.857 8.312 -2.509 61 HD2 PRO 8 HD2 PRO 8 7.172 9.609 -1.253 62 HD3 PRO 8 HD3 PRO 8 6.128 8.319 -0.617 63 H HIS 9 H HIS 9 9.701 8.044 -2.793 64 HA HIS 9 HA HIS 9 10.857 7.310 -5.321 65 HB2 HIS 9 HB2 HIS 9 12.089 8.491 -2.822 66 HB3 HIS 9 HB3 HIS 9 12.922 8.308 -4.365 67 HD1 HIS 9 HD1 HIS 9 13.026 11.036 -4.182 68 HD2 HIS 9 HD2 HIS 9 9.277 9.362 -4.904 69 HE1 HIS 9 HE1 HIS 9 11.559 12.911 -5.044 70 H ASP 10 H ASP 10 11.036 6.088 -2.005 71 HA ASP 10 HA ASP 10 13.173 4.245 -2.577 72 HB2 ASP 10 HB2 ASP 10 12.157 5.268 -0.275 73 HB3 ASP 10 HB3 ASP 10 11.389 3.680 -0.294 74 H ALA 11 H ALA 11 9.690 3.848 -1.904 75 HA ALA 11 HA ALA 11 9.434 1.136 -2.283 76 HB1 ALA 11 HB1 ALA 11 7.653 2.955 -1.714 77 HB2 ALA 11 HB2 ALA 11 7.146 1.498 -2.568 78 HB3 ALA 11 HB3 ALA 11 7.394 3.000 -3.459 79 H GLN 12 H GLN 12 9.380 3.673 -4.782 80 HA GLN 12 HA GLN 12 8.837 2.154 -7.026 81 HB2 GLN 12 HB2 GLN 12 9.275 4.693 -6.821 82 HB3 GLN 12 HB3 GLN 12 10.972 4.277 -7.058 83 HG2 GLN 12 HG2 GLN 12 10.179 2.948 -9.116 84 HG3 GLN 12 HG3 GLN 12 8.660 3.823 -8.945 85 HE21 GLN 12 HE21 GLN 12 10.366 6.191 -7.836 86 HE22 GLN 12 HE22 GLN 12 10.967 6.924 -9.244 87 H GLU 13 H GLU 13 11.988 2.716 -5.479 88 HA GLU 13 HA GLU 13 13.563 1.242 -7.275 89 HB2 GLU 13 HB2 GLU 13 13.943 1.677 -4.302 90 HB3 GLU 13 HB3 GLU 13 15.183 1.088 -5.409 91 HG2 GLU 13 HG2 GLU 13 14.469 3.282 -6.764 92 HG3 GLU 13 HG3 GLU 13 14.021 3.822 -5.147 93 H LEU 14 H LEU 14 11.795 0.248 -4.366 94 HA LEU 14 HA LEU 14 12.694 -2.457 -4.392 95 HB2 LEU 14 HB2 LEU 14 10.039 -1.611 -3.266 96 HB3 LEU 14 HB3 LEU 14 11.164 -2.828 -2.663 97 HG LEU 14 HG LEU 14 11.529 0.178 -2.600 98 HD11 LEU 14 HD11 LEU 14 10.865 -1.959 -0.622 99 HD12 LEU 14 HD12 LEU 14 10.260 -0.307 -0.732 100 HD13 LEU 14 HD13 LEU 14 11.870 -0.614 -0.081 101 HD21 LEU 14 HD21 LEU 14 13.639 -0.590 -1.257 102 HD22 LEU 14 HD22 LEU 14 13.706 -0.607 -3.020 103 HD23 LEU 14 HD23 LEU 14 13.437 -2.108 -2.133 104 H ILE 15 H ILE 15 9.810 -0.816 -5.645 105 HA ILE 15 HA ILE 15 8.310 -2.947 -6.537 106 HB ILE 15 HB ILE 15 8.803 -0.247 -7.801 107 HG12 ILE 15 HG12 ILE 15 6.452 -1.398 -6.262 108 HG13 ILE 15 HG13 ILE 15 7.672 -0.321 -5.582 109 HG21 ILE 15 HG21 ILE 15 8.095 -1.763 -9.569 110 HG22 ILE 15 HG22 ILE 15 6.733 -0.734 -9.124 111 HG23 ILE 15 HG23 ILE 15 6.804 -2.401 -8.552 112 HD11 ILE 15 HD11 ILE 15 6.852 0.986 -7.902 113 HD12 ILE 15 HD12 ILE 15 6.361 1.390 -6.256 114 HD13 ILE 15 HD13 ILE 15 5.358 0.323 -7.240 115 H ALA 16 H ALA 16 11.370 -1.825 -7.649 116 HA ALA 16 HA ALA 16 11.245 -3.254 -10.181 117 HB1 ALA 16 HB1 ALA 16 12.657 -1.533 -10.596 118 HB2 ALA 16 HB2 ALA 16 13.872 -2.565 -9.842 119 HB3 ALA 16 HB3 ALA 16 13.055 -1.324 -8.892 120 H ARG 17 H ARG 17 12.407 -3.744 -6.934 121 HA ARG 17 HA ARG 17 14.081 -6.006 -7.614 122 HB2 ARG 17 HB2 ARG 17 14.285 -4.345 -5.593 123 HB3 ARG 17 HB3 ARG 17 13.124 -5.432 -4.831 124 HG2 ARG 17 HG2 ARG 17 14.742 -7.320 -5.641 125 HG3 ARG 17 HG3 ARG 17 15.923 -6.016 -5.762 126 HD2 ARG 17 HD2 ARG 17 14.412 -6.910 -3.300 127 HD3 ARG 17 HD3 ARG 17 16.152 -6.949 -3.564 128 HE ARG 17 HE ARG 17 14.591 -4.671 -2.733 129 HH11 ARG 17 HH21 ARG 17 17.424 -5.769 -4.386 130 HH12 ARG 17 HH22 ARG 17 18.320 -4.314 -4.107 131 HH21 ARG 17 HH11 ARG 17 15.756 -2.759 -2.361 132 HH22 ARG 17 HH12 ARG 17 17.375 -2.607 -2.959 133 H GLY 18 H GLY 18 10.868 -5.485 -6.205 134 HA2 GLY 18 HA2 GLY 18 9.445 -7.510 -7.164 135 HA3 GLY 18 HA3 GLY 18 10.426 -8.368 -5.981 136 H ALA 19 H ALA 19 10.271 -5.568 -4.513 137 HA ALA 19 HA ALA 19 8.837 -6.029 -2.354 138 HB1 ALA 19 HB1 ALA 19 9.242 -3.840 -2.109 139 HB2 ALA 19 HB2 ALA 19 7.815 -3.509 -3.091 140 HB3 ALA 19 HB3 ALA 19 9.401 -3.632 -3.852 141 H LYS 20 H LYS 20 6.733 -6.153 -1.621 142 HA LYS 20 HA LYS 20 4.707 -6.604 -3.713 143 HB2 LYS 20 HB2 LYS 20 5.201 -7.709 -1.000 144 HB3 LYS 20 HB3 LYS 20 3.515 -7.507 -1.477 145 HG2 LYS 20 HG2 LYS 20 5.244 -8.700 -3.556 146 HG3 LYS 20 HG3 LYS 20 5.041 -9.690 -2.112 147 HD2 LYS 20 HD2 LYS 20 2.540 -9.281 -2.321 148 HD3 LYS 20 HD3 LYS 20 2.870 -8.591 -3.911 149 HE2 LYS 20 HE2 LYS 20 3.663 -11.386 -3.041 150 HE3 LYS 20 HE3 LYS 20 2.261 -11.002 -4.038 151 HZ1 LYS 20 HZ1 LYS 20 3.563 -10.966 -5.808 152 HZ2 LYS 20 HZ2 LYS 20 4.908 -11.362 -4.850 153 HZ3 LYS 20 HZ3 LYS 20 4.508 -9.734 -5.128 154 H LEU 21 H LEU 21 3.869 -4.606 -4.135 155 HA LEU 21 HA LEU 21 3.135 -2.810 -1.970 156 HB2 LEU 21 HB2 LEU 21 3.777 -2.489 -4.679 157 HB3 LEU 21 HB3 LEU 21 2.060 -2.102 -4.570 158 HG LEU 21 HG LEU 21 4.176 -0.946 -2.733 159 HD11 LEU 21 HD11 LEU 21 4.407 -0.255 -5.149 160 HD12 LEU 21 HD12 LEU 21 4.039 1.077 -4.053 161 HD13 LEU 21 HD13 LEU 21 2.766 0.388 -5.063 162 HD21 LEU 21 HD21 LEU 21 1.220 -0.795 -2.953 163 HD22 LEU 21 HD22 LEU 21 2.041 0.746 -2.701 164 HD23 LEU 21 HD23 LEU 21 2.258 -0.568 -1.544 165 H ILE 22 H ILE 22 1.153 -2.628 -1.083 166 HA ILE 22 HA ILE 22 -1.099 -3.982 -2.438 167 HB ILE 22 HB ILE 22 -0.745 -4.007 0.552 168 HG12 ILE 22 HG12 ILE 22 0.323 -5.925 -1.532 169 HG13 ILE 22 HG13 ILE 22 1.200 -5.161 -0.205 170 HG21 ILE 22 HG21 ILE 22 -2.904 -4.573 -0.994 171 HG22 ILE 22 HG22 ILE 22 -2.581 -5.373 0.545 172 HG23 ILE 22 HG23 ILE 22 -2.121 -6.154 -0.967 173 HD11 ILE 22 HD11 ILE 22 -0.826 -6.474 1.122 174 HD12 ILE 22 HD12 ILE 22 0.813 -7.093 0.919 175 HD13 ILE 22 HD13 ILE 22 -0.461 -7.588 -0.196 176 H ASP 23 H ASP 23 -3.049 -2.980 -2.339 177 HA ASP 23 HA ASP 23 -3.091 -0.298 -1.115 178 HB2 ASP 23 HB2 ASP 23 -3.735 -0.999 -3.652 179 HB3 ASP 23 HB3 ASP 23 -5.310 -1.163 -2.879 180 H ILE 24 H ILE 24 -4.536 0.188 0.485 181 HA ILE 24 HA ILE 24 -6.574 -1.825 1.152 182 HB ILE 24 HB ILE 24 -5.981 -1.706 3.519 183 HG12 ILE 24 HG12 ILE 24 -3.377 -0.539 3.360 184 HG13 ILE 24 HG13 ILE 24 -4.514 0.603 2.647 185 HG21 ILE 24 HG21 ILE 24 -3.541 -2.283 1.817 186 HG22 ILE 24 HG22 ILE 24 -4.906 -3.385 2.003 187 HG23 ILE 24 HG23 ILE 24 -3.910 -2.970 3.398 188 HD11 ILE 24 HD11 ILE 24 -4.341 0.998 5.060 189 HD12 ILE 24 HD12 ILE 24 -4.758 -0.685 5.381 190 HD13 ILE 24 HD13 ILE 24 -5.952 0.396 4.666 191 H ARG 25 H ARG 25 -8.043 -0.355 0.237 192 HA ARG 25 HA ARG 25 -9.093 1.574 2.108 193 HB2 ARG 25 HB2 ARG 25 -7.230 2.704 0.626 194 HB3 ARG 25 HB3 ARG 25 -8.497 2.700 -0.600 195 HG2 ARG 25 HG2 ARG 25 -8.619 4.799 0.608 196 HG3 ARG 25 HG3 ARG 25 -10.017 3.823 1.057 197 HD2 ARG 25 HD2 ARG 25 -9.265 3.479 3.196 198 HD3 ARG 25 HD3 ARG 25 -7.572 3.478 2.712 199 HE ARG 25 HE ARG 25 -7.527 5.801 2.997 200 HH11 ARG 25 HH21 ARG 25 -10.743 4.532 3.167 201 HH12 ARG 25 HH22 ARG 25 -11.438 6.000 3.770 202 HH21 ARG 25 HH11 ARG 25 -8.433 7.728 3.795 203 HH22 ARG 25 HH12 ARG 25 -10.131 7.807 4.126 204 H ASP 26 H ASP 26 -10.279 2.876 -0.435 205 HA ASP 26 HA ASP 26 -12.437 0.887 -0.734 206 HB2 ASP 26 HB2 ASP 26 -12.832 3.332 0.057 207 HB3 ASP 26 HB3 ASP 26 -12.617 3.745 -1.643 208 H ALA 27 H ALA 27 -12.192 -0.362 -2.476 209 HA ALA 27 HA ALA 27 -10.541 -0.085 -4.618 210 HB1 ALA 27 HB1 ALA 27 -13.148 -1.065 -5.492 211 HB2 ALA 27 HB2 ALA 27 -12.623 -1.794 -3.975 212 HB3 ALA 27 HB3 ALA 27 -11.599 -1.905 -5.407 213 H ASP 28 H ASP 28 -13.618 1.536 -4.113 214 HA ASP 28 HA ASP 28 -14.188 2.513 -6.634 215 HB2 ASP 28 HB2 ASP 28 -14.517 3.689 -3.886 216 HB3 ASP 28 HB3 ASP 28 -14.969 4.619 -5.313 217 H GLU 29 H GLU 29 -11.729 3.532 -4.354 218 HA GLU 29 HA GLU 29 -10.900 5.800 -5.969 219 HB2 GLU 29 HB2 GLU 29 -9.783 4.527 -3.460 220 HB3 GLU 29 HB3 GLU 29 -9.051 5.920 -4.252 221 HG2 GLU 29 HG2 GLU 29 -11.962 5.897 -3.453 222 HG3 GLU 29 HG3 GLU 29 -10.696 6.408 -2.338 223 H TYR 30 H TYR 30 -10.006 2.481 -5.378 224 HA TYR 30 HA TYR 30 -7.487 2.612 -6.775 225 HB2 TYR 30 HB2 TYR 30 -8.507 0.889 -4.955 226 HB3 TYR 30 HB3 TYR 30 -8.850 0.003 -6.441 227 HD1 TYR 30 HD2 TYR 30 -6.049 2.093 -5.051 228 HD2 TYR 30 HD1 TYR 30 -7.207 -1.489 -7.121 229 HE1 TYR 30 HE2 TYR 30 -3.671 1.400 -5.185 230 HE2 TYR 30 HE1 TYR 30 -4.830 -2.181 -7.253 231 HH TYR 30 HH TYR 30 -2.231 -0.033 -6.239 232 H LEU 31 H LEU 31 -10.816 2.059 -7.602 233 HA LEU 31 HA LEU 31 -10.377 0.700 -10.075 234 HB2 LEU 31 HB2 LEU 31 -12.576 1.196 -8.536 235 HB3 LEU 31 HB3 LEU 31 -12.803 2.363 -9.840 236 HG LEU 31 HG LEU 31 -12.224 0.361 -11.410 237 HD11 LEU 31 HD11 LEU 31 -12.620 -1.822 -10.551 238 HD12 LEU 31 HD12 LEU 31 -13.292 -1.192 -9.047 239 HD13 LEU 31 HD13 LEU 31 -11.564 -1.052 -9.368 240 HD21 LEU 31 HD21 LEU 31 -14.725 -0.486 -10.926 241 HD22 LEU 31 HD22 LEU 31 -14.401 1.077 -11.675 242 HD23 LEU 31 HD23 LEU 31 -14.752 0.983 -9.949 243 H ARG 32 H ARG 32 -11.057 4.089 -9.223 244 HA ARG 32 HA ARG 32 -10.933 5.081 -11.880 245 HB2 ARG 32 HB2 ARG 32 -10.487 6.476 -9.229 246 HB3 ARG 32 HB3 ARG 32 -10.665 7.297 -10.780 247 HG2 ARG 32 HG2 ARG 32 -12.863 5.786 -10.906 248 HG3 ARG 32 HG3 ARG 32 -12.715 5.863 -9.149 249 HD2 ARG 32 HD2 ARG 32 -12.667 8.309 -9.235 250 HD3 ARG 32 HD3 ARG 32 -12.729 8.269 -10.994 251 HE ARG 32 HE ARG 32 -14.957 6.884 -10.269 252 HH11 ARG 32 HH21 ARG 32 -13.598 9.941 -9.387 253 HH12 ARG 32 HH22 ARG 32 -15.129 10.686 -9.066 254 HH21 ARG 32 HH11 ARG 32 -16.970 7.855 -9.854 255 HH22 ARG 32 HH12 ARG 32 -17.037 9.504 -9.330 256 H GLU 33 H GLU 33 -8.555 3.847 -9.855 257 HA GLU 33 HA GLU 33 -6.447 4.402 -11.675 258 HB2 GLU 33 HB2 GLU 33 -6.804 6.636 -10.414 259 HB3 GLU 33 HB3 GLU 33 -6.078 5.805 -9.039 260 HG2 GLU 33 HG2 GLU 33 -4.097 5.267 -10.408 261 HG3 GLU 33 HG3 GLU 33 -4.821 6.102 -11.782 262 H HIS 34 H HIS 34 -4.817 2.958 -11.367 263 HA HIS 34 HA HIS 34 -4.258 1.816 -8.778 264 HB2 HIS 34 HB2 HIS 34 -5.144 -0.287 -9.018 265 HB3 HIS 34 HB3 HIS 34 -6.341 0.616 -9.941 266 HD1 HIS 34 HD1 HIS 34 -5.008 -2.438 -10.334 267 HD2 HIS 34 HD2 HIS 34 -4.663 0.922 -12.775 268 HE1 HIS 34 HE1 HIS 34 -4.395 -3.289 -12.639 269 H ILE 35 H ILE 35 -2.473 0.266 -8.865 270 HA ILE 35 HA ILE 35 -0.683 0.846 -11.136 271 HB ILE 35 HB ILE 35 0.315 -0.372 -8.606 272 HG12 ILE 35 HG12 ILE 35 -0.402 2.564 -8.909 273 HG13 ILE 35 HG13 ILE 35 -1.255 1.418 -7.874 274 HG21 ILE 35 HG21 ILE 35 2.308 0.662 -9.229 275 HG22 ILE 35 HG22 ILE 35 1.484 1.956 -10.098 276 HG23 ILE 35 HG23 ILE 35 1.587 0.344 -10.807 277 HD11 ILE 35 HD11 ILE 35 0.299 1.615 -6.254 278 HD12 ILE 35 HD12 ILE 35 0.990 2.951 -7.176 279 HD13 ILE 35 HD13 ILE 35 1.607 1.314 -7.397 280 HA PRO 36 HA PRO 36 -1.737 -3.458 -12.185 281 HB2 PRO 36 HB2 PRO 36 0.308 -2.910 -14.271 282 HB3 PRO 36 HB3 PRO 36 -1.333 -3.554 -14.435 283 HG2 PRO 36 HG2 PRO 36 -0.719 -1.050 -15.137 284 HG3 PRO 36 HG3 PRO 36 -2.295 -1.478 -14.451 285 HD2 PRO 36 HD2 PRO 36 -0.009 -0.051 -13.166 286 HD3 PRO 36 HD3 PRO 36 -1.757 0.115 -12.880 287 H GLU 37 H GLU 37 0.584 -2.438 -10.412 288 HA GLU 37 HA GLU 37 2.158 -4.919 -10.581 289 HB2 GLU 37 HB2 GLU 37 3.216 -2.102 -10.352 290 HB3 GLU 37 HB3 GLU 37 4.168 -3.513 -9.888 291 HG2 GLU 37 HG2 GLU 37 2.933 -3.043 -12.618 292 HG3 GLU 37 HG3 GLU 37 4.639 -2.850 -12.221 293 H ALA 38 H ALA 38 -0.088 -3.857 -8.871 294 HA ALA 38 HA ALA 38 1.194 -4.439 -6.289 295 HB1 ALA 38 HB1 ALA 38 0.006 -2.627 -5.185 296 HB2 ALA 38 HB2 ALA 38 -0.758 -2.162 -6.705 297 HB3 ALA 38 HB3 ALA 38 0.982 -1.966 -6.495 298 H ASP 39 H ASP 39 -0.168 -5.421 -4.767 299 HA ASP 39 HA ASP 39 -2.430 -6.822 -5.933 300 HB2 ASP 39 HB2 ASP 39 -0.853 -8.053 -4.527 301 HB3 ASP 39 HB3 ASP 39 -1.197 -6.977 -3.175 302 H LEU 40 H LEU 40 -4.529 -6.429 -5.566 303 HA LEU 40 HA LEU 40 -5.230 -4.079 -3.964 304 HB2 LEU 40 HB2 LEU 40 -6.149 -4.198 -6.220 305 HB3 LEU 40 HB3 LEU 40 -6.861 -5.774 -5.873 306 HG LEU 40 HG LEU 40 -8.201 -4.712 -4.044 307 HD11 LEU 40 HD11 LEU 40 -6.483 -2.462 -4.782 308 HD12 LEU 40 HD12 LEU 40 -7.433 -2.713 -3.318 309 HD13 LEU 40 HD13 LEU 40 -8.191 -2.025 -4.754 310 HD21 LEU 40 HD21 LEU 40 -9.380 -3.072 -5.903 311 HD22 LEU 40 HD22 LEU 40 -9.631 -4.815 -5.815 312 HD23 LEU 40 HD23 LEU 40 -8.440 -4.151 -6.934 313 H ALA 41 H ALA 41 -5.812 -4.343 -1.902 314 HA ALA 41 HA ALA 41 -7.539 -6.596 -1.181 315 HB1 ALA 41 HB1 ALA 41 -5.480 -7.592 -0.622 316 HB2 ALA 41 HB2 ALA 41 -6.050 -6.909 0.901 317 HB3 ALA 41 HB3 ALA 41 -4.807 -6.073 -0.028 318 HA PRO 42 HA PRO 42 -9.215 -2.646 0.451 319 HB2 PRO 42 HB2 PRO 42 -11.278 -4.675 1.219 320 HB3 PRO 42 HB3 PRO 42 -11.491 -3.062 0.512 321 HG2 PRO 42 HG2 PRO 42 -11.733 -5.272 -0.958 322 HG3 PRO 42 HG3 PRO 42 -11.031 -3.784 -1.616 323 HD2 PRO 42 HD2 PRO 42 -9.681 -6.324 -0.868 324 HD3 PRO 42 HD3 PRO 42 -9.197 -5.099 -2.061 325 H LEU 43 H LEU 43 -8.426 -1.929 2.329 326 HA LEU 43 HA LEU 43 -7.260 -3.289 4.360 327 HB2 LEU 43 HB2 LEU 43 -7.164 -1.284 5.415 328 HB3 LEU 43 HB3 LEU 43 -7.885 -0.670 3.929 329 HG LEU 43 HG LEU 43 -10.159 -1.239 5.039 330 HD11 LEU 43 HD11 LEU 43 -10.107 -2.101 7.114 331 HD12 LEU 43 HD12 LEU 43 -9.204 -0.700 7.688 332 HD13 LEU 43 HD13 LEU 43 -8.345 -2.107 7.061 333 HD21 LEU 43 HD21 LEU 43 -9.286 1.057 4.657 334 HD22 LEU 43 HD22 LEU 43 -8.438 0.974 6.201 335 HD23 LEU 43 HD23 LEU 43 -10.200 0.944 6.160 336 H SER 44 H SER 44 -10.670 -3.077 3.739 337 HA SER 44 HA SER 44 -11.454 -3.999 6.368 338 HB2 SER 44 HB2 SER 44 -13.269 -2.889 5.621 339 HB3 SER 44 HB3 SER 44 -12.784 -3.049 3.936 340 HG SER 44 HG SER 44 -14.588 -4.463 5.324 341 H VAL 45 H VAL 45 -10.698 -5.447 3.280 342 HA VAL 45 HA VAL 45 -11.984 -7.959 3.877 343 HB VAL 45 HB VAL 45 -11.300 -6.857 1.551 344 HG11 VAL 45 HG11 VAL 45 -8.855 -6.994 2.112 345 HG12 VAL 45 HG12 VAL 45 -9.285 -7.855 0.637 346 HG13 VAL 45 HG13 VAL 45 -9.001 -8.751 2.126 347 HG21 VAL 45 HG21 VAL 45 -12.657 -8.906 1.917 348 HG22 VAL 45 HG22 VAL 45 -11.173 -9.835 2.120 349 HG23 VAL 45 HG23 VAL 45 -11.541 -9.094 0.563 350 H LEU 46 H LEU 46 -8.600 -6.838 3.763 351 HA LEU 46 HA LEU 46 -7.355 -9.228 4.469 352 HB2 LEU 46 HB2 LEU 46 -6.182 -7.153 3.741 353 HB3 LEU 46 HB3 LEU 46 -6.515 -6.450 5.322 354 HG LEU 46 HG LEU 46 -5.393 -8.605 6.261 355 HD11 LEU 46 HD11 LEU 46 -4.246 -9.968 4.842 356 HD12 LEU 46 HD12 LEU 46 -3.717 -8.624 3.829 357 HD13 LEU 46 HD13 LEU 46 -5.329 -9.306 3.617 358 HD21 LEU 46 HD21 LEU 46 -3.978 -6.316 4.885 359 HD22 LEU 46 HD22 LEU 46 -3.089 -7.523 5.815 360 HD23 LEU 46 HD23 LEU 46 -4.307 -6.522 6.605 361 H GLU 47 H GLU 47 -9.179 -6.985 6.402 362 HA GLU 47 HA GLU 47 -8.262 -8.088 8.927 363 HB2 GLU 47 HB2 GLU 47 -8.960 -5.664 8.545 364 HB3 GLU 47 HB3 GLU 47 -10.621 -6.255 8.505 365 HG2 GLU 47 HG2 GLU 47 -10.324 -7.252 10.742 366 HG3 GLU 47 HG3 GLU 47 -8.665 -6.654 10.788 367 H GLN 48 H GLN 48 -11.313 -8.031 7.078 368 HA GLN 48 HA GLN 48 -12.724 -9.738 8.857 369 HB2 GLN 48 HB2 GLN 48 -13.161 -8.995 5.963 370 HB3 GLN 48 HB3 GLN 48 -14.267 -10.033 6.864 371 HG2 GLN 48 HG2 GLN 48 -13.527 -7.561 8.282 372 HG3 GLN 48 HG3 GLN 48 -14.412 -7.286 6.783 373 HE21 GLN 48 HE21 GLN 48 -16.646 -7.348 7.021 374 HE22 GLN 48 HE22 GLN 48 -17.473 -8.187 8.242 375 H SER 49 H SER 49 -11.213 -10.375 5.685 376 HA SER 49 HA SER 49 -11.557 -13.237 6.008 377 HB2 SER 49 HB2 SER 49 -11.778 -12.402 3.776 378 HB3 SER 49 HB3 SER 49 -10.246 -11.538 3.882 379 HG SER 49 HG SER 49 -9.616 -13.350 2.939 380 H GLY 50 H GLY 50 -8.625 -11.525 5.011 381 HA2 GLY 50 HA2 GLY 50 -6.682 -11.465 6.560 382 HA3 GLY 50 HA3 GLY 50 -7.107 -13.119 6.993 383 H LEU 51 H LEU 51 -5.682 -11.057 4.568 384 HA LEU 51 HA LEU 51 -4.662 -13.465 3.183 385 HB2 LEU 51 HB2 LEU 51 -6.361 -12.082 1.881 386 HB3 LEU 51 HB3 LEU 51 -5.148 -10.801 1.850 387 HG LEU 51 HG LEU 51 -3.534 -12.511 0.882 388 HD11 LEU 51 HD11 LEU 51 -5.849 -14.187 1.366 389 HD12 LEU 51 HD12 LEU 51 -4.217 -14.658 0.894 390 HD13 LEU 51 HD13 LEU 51 -5.402 -14.232 -0.340 391 HD21 LEU 51 HD21 LEU 51 -4.105 -11.319 -0.948 392 HD22 LEU 51 HD22 LEU 51 -5.760 -11.121 -0.371 393 HD23 LEU 51 HD23 LEU 51 -5.314 -12.558 -1.290 394 HA PRO 52 HA PRO 52 -1.117 -10.998 4.834 395 HB2 PRO 52 HB2 PRO 52 0.072 -13.615 5.375 396 HB3 PRO 52 HB3 PRO 52 -0.298 -12.301 6.502 397 HG2 PRO 52 HG2 PRO 52 -1.639 -14.656 6.456 398 HG3 PRO 52 HG3 PRO 52 -2.352 -13.128 6.999 399 HD2 PRO 52 HD2 PRO 52 -2.725 -14.558 4.391 400 HD3 PRO 52 HD3 PRO 52 -3.895 -13.612 5.340 401 H ALA 53 H ALA 53 -0.924 -10.572 2.448 402 HA ALA 53 HA ALA 53 0.172 -12.163 0.523 403 HB1 ALA 53 HB1 ALA 53 1.168 -10.150 -0.453 404 HB2 ALA 53 HB2 ALA 53 0.997 -9.302 1.084 405 HB3 ALA 53 HB3 ALA 53 -0.438 -9.787 0.179 406 H LYS 54 H LYS 54 1.621 -11.100 3.449 407 HA LYS 54 HA LYS 54 4.355 -11.250 2.867 408 HB2 LYS 54 HB2 LYS 54 4.041 -10.429 4.983 409 HB3 LYS 54 HB3 LYS 54 2.659 -11.473 5.296 410 HG2 LYS 54 HG2 LYS 54 4.134 -13.390 5.646 411 HG3 LYS 54 HG3 LYS 54 5.542 -12.415 5.220 412 HD2 LYS 54 HD2 LYS 54 4.816 -10.852 7.138 413 HD3 LYS 54 HD3 LYS 54 3.769 -12.176 7.651 414 HE2 LYS 54 HE2 LYS 54 6.771 -12.355 7.261 415 HE3 LYS 54 HE3 LYS 54 5.941 -12.277 8.815 416 HZ1 LYS 54 HZ1 LYS 54 5.066 -14.374 8.556 417 HZ2 LYS 54 HZ2 LYS 54 6.594 -14.559 7.837 418 HZ3 LYS 54 HZ3 LYS 54 5.214 -14.358 6.867 419 H LEU 55 H LEU 55 1.980 -13.660 2.819 420 HA LEU 55 HA LEU 55 3.653 -15.900 3.517 421 HB2 LEU 55 HB2 LEU 55 0.916 -15.613 2.290 422 HB3 LEU 55 HB3 LEU 55 1.705 -17.183 2.432 423 HG LEU 55 HG LEU 55 1.504 -15.360 4.819 424 HD11 LEU 55 HD11 LEU 55 -0.531 -17.171 5.160 425 HD12 LEU 55 HD12 LEU 55 -0.669 -16.799 3.442 426 HD13 LEU 55 HD13 LEU 55 -0.757 -15.504 4.634 427 HD21 LEU 55 HD21 LEU 55 1.395 -17.710 5.894 428 HD22 LEU 55 HD22 LEU 55 2.935 -17.214 5.194 429 HD23 LEU 55 HD23 LEU 55 1.878 -18.314 4.310 430 H ARG 56 H ARG 56 3.397 -13.933 0.778 431 HA ARG 56 HA ARG 56 4.656 -16.033 -0.879 432 HB2 ARG 56 HB2 ARG 56 2.959 -13.777 -1.952 433 HB3 ARG 56 HB3 ARG 56 3.560 -15.186 -2.827 434 HG2 ARG 56 HG2 ARG 56 2.075 -16.653 -1.740 435 HG3 ARG 56 HG3 ARG 56 1.788 -15.525 -0.414 436 HD2 ARG 56 HD2 ARG 56 0.117 -14.496 -1.524 437 HD3 ARG 56 HD3 ARG 56 1.072 -14.378 -2.999 438 HE ARG 56 HE ARG 56 0.190 -17.055 -2.613 439 HH11 ARG 56 HH21 ARG 56 -0.883 -13.883 -3.480 440 HH12 ARG 56 HH22 ARG 56 -2.191 -14.444 -4.466 441 HH21 ARG 56 HH11 ARG 56 -1.526 -17.801 -3.902 442 HH22 ARG 56 HH12 ARG 56 -2.556 -16.663 -4.705 443 H HIS 57 H HIS 57 5.752 -13.814 0.885 444 HA HIS 57 HA HIS 57 7.878 -13.054 -0.857 445 HB2 HIS 57 HB2 HIS 57 5.579 -11.290 -0.710 446 HB3 HIS 57 HB3 HIS 57 7.041 -10.485 -0.141 447 HD1 HIS 57 HD1 HIS 57 5.579 -12.165 -3.182 448 HD2 HIS 57 HD2 HIS 57 8.994 -10.018 -2.134 449 HE1 HIS 57 HE1 HIS 57 6.782 -11.632 -5.346 450 H GLU 58 H GLU 58 8.893 -10.868 0.357 451 HA GLU 58 HA GLU 58 9.157 -11.666 3.197 452 HB2 GLU 58 HB2 GLU 58 11.168 -12.266 1.913 453 HB3 GLU 58 HB3 GLU 58 11.307 -10.602 1.345 454 HG2 GLU 58 HG2 GLU 58 12.469 -10.088 3.197 455 HG3 GLU 58 HG3 GLU 58 11.055 -10.485 4.170 456 H GLN 59 H GLN 59 9.095 -9.075 0.825 457 HA GLN 59 HA GLN 59 8.848 -7.114 3.025 458 HB2 GLN 59 HB2 GLN 59 10.289 -7.071 0.480 459 HB3 GLN 59 HB3 GLN 59 9.255 -5.659 0.706 460 HG2 GLN 59 HG2 GLN 59 10.263 -5.408 3.013 461 HG3 GLN 59 HG3 GLN 59 11.419 -6.663 2.570 462 HE21 GLN 59 HE21 GLN 59 12.932 -6.172 0.772 463 HE22 GLN 59 HE22 GLN 59 13.265 -4.558 0.361 464 H ILE 60 H ILE 60 6.995 -5.984 3.201 465 HA ILE 60 HA ILE 60 5.065 -6.130 0.971 466 HB ILE 60 HB ILE 60 4.004 -6.077 3.742 467 HG12 ILE 60 HG12 ILE 60 4.154 -8.730 3.482 468 HG13 ILE 60 HG13 ILE 60 5.619 -8.317 2.593 469 HG21 ILE 60 HG21 ILE 60 2.675 -6.109 1.557 470 HG22 ILE 60 HG22 ILE 60 2.234 -7.341 2.740 471 HG23 ILE 60 HG23 ILE 60 3.236 -7.769 1.353 472 HD11 ILE 60 HD11 ILE 60 6.550 -7.174 4.479 473 HD12 ILE 60 HD12 ILE 60 5.928 -8.705 5.091 474 HD13 ILE 60 HD13 ILE 60 5.015 -7.218 5.346 475 H ILE 61 H ILE 61 4.621 -4.149 0.269 476 HA ILE 61 HA ILE 61 4.787 -1.896 2.177 477 HB ILE 61 HB ILE 61 4.960 -1.800 -0.845 478 HG12 ILE 61 HG12 ILE 61 7.098 -1.883 1.301 479 HG13 ILE 61 HG13 ILE 61 6.889 -3.000 -0.047 480 HG21 ILE 61 HG21 ILE 61 6.138 0.340 0.785 481 HG22 ILE 61 HG22 ILE 61 4.390 0.202 0.976 482 HG23 ILE 61 HG23 ILE 61 5.084 0.454 -0.625 483 HD11 ILE 61 HD11 ILE 61 7.062 -0.610 -1.365 484 HD12 ILE 61 HD12 ILE 61 8.432 -1.683 -1.079 485 HD13 ILE 61 HD13 ILE 61 8.136 -0.323 0.004 486 H PHE 62 H PHE 62 3.081 -0.485 2.370 487 HA PHE 62 HA PHE 62 0.645 -1.167 0.836 488 HB2 PHE 62 HB2 PHE 62 0.787 -0.262 3.719 489 HB3 PHE 62 HB3 PHE 62 -0.677 -0.668 2.823 490 HD1 PHE 62 HD1 PHE 62 2.497 -2.036 4.184 491 HD2 PHE 62 HD2 PHE 62 -1.342 -2.942 2.482 492 HE1 PHE 62 HE1 PHE 62 2.797 -4.425 4.780 493 HE2 PHE 62 HE2 PHE 62 -1.041 -5.331 3.077 494 HZ PHE 62 HZ PHE 62 1.028 -6.072 4.226 495 H HIS 63 H HIS 63 -0.623 0.504 0.116 496 HA HIS 63 HA HIS 63 0.107 3.249 0.846 497 HB2 HIS 63 HB2 HIS 63 0.124 3.932 -1.542 498 HB3 HIS 63 HB3 HIS 63 1.450 2.848 -1.131 499 HD1 HIS 63 HD1 HIS 63 -0.987 0.474 -1.091 500 HD2 HIS 63 HD2 HIS 63 0.487 2.763 -4.249 501 HE1 HIS 63 HE1 HIS 63 -1.549 -0.787 -3.214 502 H CYS 64 H CYS 64 -1.595 4.580 0.944 503 HA CYS 64 HA CYS 64 -4.192 3.520 0.007 504 HB2 CYS 64 HB2 CYS 64 -4.070 5.552 2.182 505 HB3 CYS 64 HB3 CYS 64 -5.208 4.226 1.940 506 HG CYS 64 HG CYS 64 -3.045 3.984 3.825 507 H GLN 65 H GLN 65 -5.731 5.014 -0.789 508 HA GLN 65 HA GLN 65 -5.054 6.738 -2.720 509 HB2 GLN 65 HB2 GLN 65 -7.214 7.546 -2.674 510 HB3 GLN 65 HB3 GLN 65 -7.405 6.106 -1.677 511 HG2 GLN 65 HG2 GLN 65 -6.882 7.606 0.330 512 HG3 GLN 65 HG3 GLN 65 -7.109 8.971 -0.764 513 HE21 GLN 65 HE21 GLN 65 -9.299 9.031 -1.922 514 HE22 GLN 65 HE22 GLN 65 -10.648 8.420 -1.093 515 H ALA 66 H ALA 66 -5.125 7.553 0.728 516 HA ALA 66 HA ALA 66 -3.613 10.011 0.083 517 HB1 ALA 66 HB1 ALA 66 -4.762 11.193 1.857 518 HB2 ALA 66 HB2 ALA 66 -5.654 9.738 2.301 519 HB3 ALA 66 HB3 ALA 66 -5.963 10.524 0.753 520 H GLY 67 H GLY 67 -3.609 7.061 1.593 521 HA2 GLY 67 HA2 GLY 67 -1.860 6.109 2.813 522 HA3 GLY 67 HA3 GLY 67 -1.206 7.718 3.092 523 H LYS 68 H LYS 68 -3.842 8.723 4.023 524 HA LYS 68 HA LYS 68 -3.575 8.649 6.730 525 HB2 LYS 68 HB2 LYS 68 -5.233 10.027 5.477 526 HB3 LYS 68 HB3 LYS 68 -6.240 8.591 5.296 527 HG2 LYS 68 HG2 LYS 68 -6.035 8.411 7.891 528 HG3 LYS 68 HG3 LYS 68 -5.553 10.106 7.805 529 HD2 LYS 68 HD2 LYS 68 -7.658 10.492 6.411 530 HD3 LYS 68 HD3 LYS 68 -8.159 8.871 6.892 531 HE2 LYS 68 HE2 LYS 68 -7.796 9.609 9.304 532 HE3 LYS 68 HE3 LYS 68 -7.638 11.254 8.684 533 HZ1 LYS 68 HZ1 LYS 68 -9.950 10.266 9.411 534 HZ2 LYS 68 HZ2 LYS 68 -9.946 9.687 7.814 535 HZ3 LYS 68 HZ3 LYS 68 -9.817 11.353 8.117 536 H ARG 69 H ARG 69 -4.804 6.104 4.695 537 HA ARG 69 HA ARG 69 -5.936 4.594 6.899 538 HB2 ARG 69 HB2 ARG 69 -6.596 4.628 4.331 539 HB3 ARG 69 HB3 ARG 69 -5.387 3.349 4.245 540 HG2 ARG 69 HG2 ARG 69 -7.427 2.221 4.689 541 HG3 ARG 69 HG3 ARG 69 -6.601 2.290 6.246 542 HD2 ARG 69 HD2 ARG 69 -8.115 4.694 5.933 543 HD3 ARG 69 HD3 ARG 69 -9.170 3.332 5.571 544 HE ARG 69 HE ARG 69 -7.732 2.737 7.917 545 HH11 ARG 69 HH21 ARG 69 -10.133 4.922 6.718 546 HH12 ARG 69 HH22 ARG 69 -10.907 5.131 8.253 547 HH21 ARG 69 HH11 ARG 69 -8.743 3.004 9.932 548 HH22 ARG 69 HH12 ARG 69 -10.122 4.044 10.073 549 H THR 70 H THR 70 -2.896 4.802 5.219 550 HA THR 70 HA THR 70 -1.870 2.238 5.870 551 HB THR 70 HB THR 70 0.050 4.477 5.749 552 HG1 THR 70 HG1 THR 70 -1.881 4.972 4.373 553 HG21 THR 70 HG21 THR 70 0.485 1.957 5.547 554 HG22 THR 70 HG22 THR 70 1.215 2.986 4.314 555 HG23 THR 70 HG23 THR 70 -0.248 2.072 3.947 556 H SER 71 H SER 71 -1.310 5.417 7.393 557 HA SER 71 HA SER 71 0.179 4.406 9.576 558 HB2 SER 71 HB2 SER 71 -1.365 6.977 9.217 559 HB3 SER 71 HB3 SER 71 -0.353 6.637 10.617 560 HG SER 71 HG SER 71 1.118 7.474 9.333 561 H ASN 72 H ASN 72 -3.225 4.574 8.952 562 HA ASN 72 HA ASN 72 -3.963 4.241 11.749 563 HB2 ASN 72 HB2 ASN 72 -5.403 4.660 9.182 564 HB3 ASN 72 HB3 ASN 72 -6.262 3.786 10.449 565 HD21 ASN 72 HD21 ASN 72 -7.677 5.397 11.235 566 HD22 ASN 72 HD22 ASN 72 -7.156 6.895 11.841 567 H ASN 73 H ASN 73 -4.096 2.335 8.748 568 HA ASN 73 HA ASN 73 -4.928 -0.045 10.187 569 HB2 ASN 73 HB2 ASN 73 -5.305 0.815 7.621 570 HB3 ASN 73 HB3 ASN 73 -3.989 -0.339 7.413 571 HD21 ASN 73 HD21 ASN 73 -5.163 -2.111 6.540 572 HD22 ASN 73 HD22 ASN 73 -6.430 -2.885 7.363 573 H ALA 74 H ALA 74 -2.002 1.490 9.342 574 HA ALA 74 HA ALA 74 -0.163 -0.434 8.797 575 HB1 ALA 74 HB1 ALA 74 -0.071 1.997 10.535 576 HB2 ALA 74 HB2 ALA 74 0.809 1.647 9.048 577 HB3 ALA 74 HB3 ALA 74 1.303 0.891 10.562 578 H ASP 75 H ASP 75 -1.841 0.077 11.839 579 HA ASP 75 HA ASP 75 -0.259 -1.747 13.373 580 HB2 ASP 75 HB2 ASP 75 -1.756 0.102 14.279 581 HB3 ASP 75 HB3 ASP 75 -3.120 -0.958 13.932 582 H LYS 76 H LYS 76 -3.083 -2.041 11.312 583 HA LYS 76 HA LYS 76 -3.664 -4.751 12.160 584 HB2 LYS 76 HB2 LYS 76 -4.739 -2.986 9.954 585 HB3 LYS 76 HB3 LYS 76 -5.257 -4.658 10.182 586 HG2 LYS 76 HG2 LYS 76 -5.281 -2.837 12.556 587 HG3 LYS 76 HG3 LYS 76 -6.558 -2.656 11.353 588 HD2 LYS 76 HD2 LYS 76 -7.366 -4.833 11.694 589 HD3 LYS 76 HD3 LYS 76 -5.856 -5.380 12.422 590 HE2 LYS 76 HE2 LYS 76 -6.298 -3.836 14.352 591 HE3 LYS 76 HE3 LYS 76 -7.875 -3.479 13.647 592 HZ1 LYS 76 HZ1 LYS 76 -6.881 -6.110 14.587 593 HZ2 LYS 76 HZ2 LYS 76 -8.313 -5.911 13.695 594 HZ3 LYS 76 HZ3 LYS 76 -8.161 -5.203 15.232 595 H LEU 77 H LEU 77 -1.664 -3.187 9.824 596 HA LEU 77 HA LEU 77 -1.427 -5.469 8.065 597 HB2 LEU 77 HB2 LEU 77 0.289 -2.981 8.242 598 HB3 LEU 77 HB3 LEU 77 0.247 -4.133 6.906 599 HG LEU 77 HG LEU 77 -2.157 -2.550 7.855 600 HD11 LEU 77 HD11 LEU 77 -1.171 -0.814 6.789 601 HD12 LEU 77 HD12 LEU 77 -1.491 -1.702 5.299 602 HD13 LEU 77 HD13 LEU 77 0.076 -1.849 6.094 603 HD21 LEU 77 HD21 LEU 77 -2.926 -4.497 6.755 604 HD22 LEU 77 HD22 LEU 77 -1.606 -4.461 5.585 605 HD23 LEU 77 HD23 LEU 77 -2.908 -3.276 5.482 606 H ALA 78 H ALA 78 0.849 -3.767 10.232 607 HA ALA 78 HA ALA 78 2.923 -5.644 10.085 608 HB1 ALA 78 HB1 ALA 78 2.150 -3.742 12.305 609 HB2 ALA 78 HB2 ALA 78 3.321 -3.454 11.018 610 HB3 ALA 78 HB3 ALA 78 3.660 -4.653 12.267 611 H ALA 79 H ALA 79 -0.100 -5.766 11.727 612 HA ALA 79 HA ALA 79 0.532 -7.532 13.834 613 HB1 ALA 79 HB1 ALA 79 -2.064 -8.155 13.171 614 HB2 ALA 79 HB2 ALA 79 -1.891 -6.522 12.528 615 HB3 ALA 79 HB3 ALA 79 -1.577 -6.836 14.235 616 H ILE 80 H ILE 80 -0.898 -8.230 10.632 617 HA ILE 80 HA ILE 80 -0.449 -11.081 11.021 618 HB ILE 80 HB ILE 80 -1.316 -10.172 8.366 619 HG12 ILE 80 HG12 ILE 80 -2.747 -9.337 10.889 620 HG13 ILE 80 HG13 ILE 80 -2.414 -8.382 9.445 621 HG21 ILE 80 HG21 ILE 80 -2.976 -11.903 8.715 622 HG22 ILE 80 HG22 ILE 80 -2.633 -11.945 10.444 623 HG23 ILE 80 HG23 ILE 80 -1.425 -12.512 9.291 624 HD11 ILE 80 HD11 ILE 80 -4.380 -10.673 9.699 625 HD12 ILE 80 HD12 ILE 80 -3.944 -9.920 8.164 626 HD13 ILE 80 HD13 ILE 80 -4.758 -8.975 9.411 627 H ALA 81 H ALA 81 1.182 -8.420 9.588 628 HA ALA 81 HA ALA 81 2.705 -10.060 7.726 629 HB1 ALA 81 HB1 ALA 81 3.858 -7.941 7.189 630 HB2 ALA 81 HB2 ALA 81 2.957 -7.138 8.475 631 HB3 ALA 81 HB3 ALA 81 2.105 -7.783 7.071 632 H ALA 82 H ALA 82 2.792 -9.732 10.966 633 HA ALA 82 HA ALA 82 4.395 -10.010 12.595 634 HB1 ALA 82 HB1 ALA 82 5.540 -11.913 12.235 635 HB2 ALA 82 HB2 ALA 82 6.397 -11.230 10.852 636 HB3 ALA 82 HB3 ALA 82 4.789 -11.924 10.639 637 HA PRO 83 HA PRO 83 7.630 -7.076 12.638 638 HB2 PRO 83 HB2 PRO 83 9.810 -9.048 12.956 639 HB3 PRO 83 HB3 PRO 83 9.270 -7.771 14.059 640 HG2 PRO 83 HG2 PRO 83 8.816 -10.369 14.540 641 HG3 PRO 83 HG3 PRO 83 7.694 -9.093 15.042 642 HD2 PRO 83 HD2 PRO 83 7.469 -11.010 12.756 643 HD3 PRO 83 HD3 PRO 83 6.193 -10.336 13.796 644 H ALA 84 H ALA 84 7.358 -9.093 10.109 645 HA ALA 84 HA ALA 84 9.677 -9.119 8.635 646 HB1 ALA 84 HB1 ALA 84 8.360 -9.567 6.814 647 HB2 ALA 84 HB2 ALA 84 7.219 -8.274 7.187 648 HB3 ALA 84 HB3 ALA 84 7.149 -9.797 8.075 649 H GLU 85 H GLU 85 10.174 -7.694 6.679 650 HA GLU 85 HA GLU 85 10.609 -5.010 7.615 651 HB2 GLU 85 HB2 GLU 85 11.278 -6.524 5.109 652 HB3 GLU 85 HB3 GLU 85 11.470 -4.772 5.163 653 HG2 GLU 85 HG2 GLU 85 12.561 -6.301 7.469 654 HG3 GLU 85 HG3 GLU 85 13.419 -6.466 5.937 655 H ILE 86 H ILE 86 8.808 -3.771 7.767 656 HA ILE 86 HA ILE 86 7.018 -3.663 5.421 657 HB ILE 86 HB ILE 86 6.170 -2.375 7.939 658 HG12 ILE 86 HG12 ILE 86 6.765 -5.320 7.695 659 HG13 ILE 86 HG13 ILE 86 7.097 -4.235 9.045 660 HG21 ILE 86 HG21 ILE 86 4.073 -2.971 7.178 661 HG22 ILE 86 HG22 ILE 86 4.644 -4.476 6.460 662 HG23 ILE 86 HG23 ILE 86 4.937 -2.942 5.640 663 HD11 ILE 86 HD11 ILE 86 4.524 -5.550 8.259 664 HD12 ILE 86 HD12 ILE 86 4.458 -3.980 9.060 665 HD13 ILE 86 HD13 ILE 86 5.232 -5.347 9.861 666 H PHE 87 H PHE 87 6.813 -1.837 4.297 667 HA PHE 87 HA PHE 87 7.998 0.638 5.399 668 HB2 PHE 87 HB2 PHE 87 8.213 -0.485 2.599 669 HB3 PHE 87 HB3 PHE 87 8.584 1.192 2.993 670 HD1 PHE 87 HD1 PHE 87 10.085 1.368 5.284 671 HD2 PHE 87 HD2 PHE 87 10.049 -1.910 2.509 672 HE1 PHE 87 HE1 PHE 87 12.344 0.691 6.052 673 HE2 PHE 87 HE2 PHE 87 12.308 -2.587 3.276 674 HZ PHE 87 HZ PHE 87 13.456 -1.286 5.048 675 H LEU 88 H LEU 88 6.986 2.607 4.685 676 HA LEU 88 HA LEU 88 4.265 2.177 3.595 677 HB2 LEU 88 HB2 LEU 88 5.000 4.349 5.557 678 HB3 LEU 88 HB3 LEU 88 3.389 3.828 5.064 679 HG LEU 88 HG LEU 88 5.382 2.096 6.556 680 HD11 LEU 88 HD11 LEU 88 4.322 4.108 7.784 681 HD12 LEU 88 HD12 LEU 88 4.140 2.519 8.528 682 HD13 LEU 88 HD13 LEU 88 2.799 3.232 7.631 683 HD21 LEU 88 HD21 LEU 88 2.824 1.615 5.191 684 HD22 LEU 88 HD22 LEU 88 2.836 1.056 6.864 685 HD23 LEU 88 HD23 LEU 88 4.045 0.459 5.726 686 H LEU 89 H LEU 89 3.594 3.468 1.982 687 HA LEU 89 HA LEU 89 5.567 5.246 0.769 688 HB2 LEU 89 HB2 LEU 89 4.245 3.558 -0.562 689 HB3 LEU 89 HB3 LEU 89 2.807 4.528 -0.242 690 HG LEU 89 HG LEU 89 5.061 6.129 -1.207 691 HD11 LEU 89 HD11 LEU 89 3.964 3.859 -2.880 692 HD12 LEU 89 HD12 LEU 89 5.654 4.222 -2.528 693 HD13 LEU 89 HD13 LEU 89 4.726 5.281 -3.591 694 HD21 LEU 89 HD21 LEU 89 2.833 7.046 -1.101 695 HD22 LEU 89 HD22 LEU 89 2.173 5.691 -2.016 696 HD23 LEU 89 HD23 LEU 89 3.231 6.858 -2.808 697 H GLU 90 H GLU 90 5.565 7.037 2.149 698 HA GLU 90 HA GLU 90 3.554 8.387 3.360 699 HB2 GLU 90 HB2 GLU 90 6.148 8.952 2.922 700 HB3 GLU 90 HB3 GLU 90 5.407 10.127 1.835 701 HG2 GLU 90 HG2 GLU 90 4.078 11.048 3.634 702 HG3 GLU 90 HG3 GLU 90 4.606 9.776 4.735 703 H ASP 91 H ASP 91 2.068 9.993 2.851 704 HA ASP 91 HA ASP 91 0.552 11.161 1.578 705 HB2 ASP 91 HB2 ASP 91 2.380 10.677 -0.777 706 HB3 ASP 91 HB3 ASP 91 1.192 11.963 -0.578 707 H GLY 92 H GLY 92 1.922 8.373 -0.164 708 HA2 GLY 92 HA2 GLY 92 0.633 6.405 -0.619 709 HA3 GLY 92 HA3 GLY 92 -0.822 7.397 -0.607 710 H ILE 93 H ILE 93 -1.546 6.807 -2.644 711 HA ILE 93 HA ILE 93 -0.094 6.555 -4.985 712 HB ILE 93 HB ILE 93 -2.921 7.395 -4.420 713 HG12 ILE 93 HG12 ILE 93 -1.869 4.979 -4.344 714 HG13 ILE 93 HG13 ILE 93 -3.438 5.222 -5.111 715 HG21 ILE 93 HG21 ILE 93 -3.098 7.015 -7.034 716 HG22 ILE 93 HG22 ILE 93 -1.414 7.539 -7.009 717 HG23 ILE 93 HG23 ILE 93 -2.677 8.603 -6.393 718 HD11 ILE 93 HD11 ILE 93 -0.879 5.416 -6.697 719 HD12 ILE 93 HD12 ILE 93 -2.519 5.145 -7.288 720 HD13 ILE 93 HD13 ILE 93 -1.671 3.863 -6.421 721 H ASP 94 H ASP 94 -1.458 9.488 -3.527 722 HA ASP 94 HA ASP 94 -0.951 11.314 -5.561 723 HB2 ASP 94 HB2 ASP 94 -1.876 11.476 -2.981 724 HB3 ASP 94 HB3 ASP 94 -0.333 12.322 -2.874 725 H GLY 95 H GLY 95 1.233 9.921 -3.181 726 HA2 GLY 95 HA2 GLY 95 3.444 11.650 -3.727 727 HA3 GLY 95 HA3 GLY 95 3.513 10.106 -2.881 728 H TRP 96 H TRP 96 2.587 8.354 -4.769 729 HA TRP 96 HA TRP 96 4.857 7.883 -6.369 730 HB2 TRP 96 HB2 TRP 96 2.790 6.353 -5.598 731 HB3 TRP 96 HB3 TRP 96 2.250 6.743 -7.232 732 HD1 TRP 96 HD1 TRP 96 5.588 5.648 -5.591 733 HE1 TRP 96 HE1 TRP 96 6.706 3.916 -7.140 734 HE3 TRP 96 HE3 TRP 96 2.162 5.506 -9.375 735 HZ2 TRP 96 HZ2 TRP 96 6.212 2.639 -9.652 736 HZ3 TRP 96 HZ3 TRP 96 2.509 4.026 -11.331 737 HH2 TRP 96 HH2 TRP 96 4.528 2.594 -11.475 738 H LYS 97 H LYS 97 1.777 9.457 -7.045 739 HA LYS 97 HA LYS 97 2.353 9.774 -9.863 740 HB2 LYS 97 HB2 LYS 97 0.027 9.576 -8.775 741 HB3 LYS 97 HB3 LYS 97 0.236 11.270 -8.327 742 HG2 LYS 97 HG2 LYS 97 0.979 11.339 -10.951 743 HG3 LYS 97 HG3 LYS 97 -0.245 10.069 -10.986 744 HD2 LYS 97 HD2 LYS 97 -0.599 12.869 -9.876 745 HD3 LYS 97 HD3 LYS 97 -1.311 12.235 -11.360 746 HE2 LYS 97 HE2 LYS 97 -2.130 10.352 -9.570 747 HE3 LYS 97 HE3 LYS 97 -2.109 11.789 -8.546 748 HZ1 LYS 97 HZ1 LYS 97 -3.755 11.195 -10.887 749 HZ2 LYS 97 HZ2 LYS 97 -3.291 12.811 -10.644 750 HZ3 LYS 97 HZ3 LYS 97 -4.168 11.987 -9.445 751 H ARG 98 H ARG 98 2.850 11.554 -6.926 752 HA ARG 98 HA ARG 98 3.249 14.120 -8.146 753 HB2 ARG 98 HB2 ARG 98 2.633 13.987 -5.803 754 HB3 ARG 98 HB3 ARG 98 4.072 13.033 -5.445 755 HG2 ARG 98 HG2 ARG 98 5.480 14.845 -5.584 756 HG3 ARG 98 HG3 ARG 98 4.492 15.653 -6.800 757 HD2 ARG 98 HD2 ARG 98 3.946 15.460 -3.830 758 HD3 ARG 98 HD3 ARG 98 4.295 16.917 -4.758 759 HE ARG 98 HE ARG 98 2.067 16.013 -5.976 760 HH11 ARG 98 HH21 ARG 98 2.936 16.404 -2.649 761 HH12 ARG 98 HH22 ARG 98 1.318 16.727 -2.121 762 HH21 ARG 98 HH11 ARG 98 -0.058 16.434 -5.292 763 HH22 ARG 98 HH12 ARG 98 -0.377 16.743 -3.617 764 H ALA 99 H ALA 99 5.393 11.537 -6.987 765 HA ALA 99 HA ALA 99 7.859 12.748 -7.400 766 HB1 ALA 99 HB1 ALA 99 8.161 10.716 -6.403 767 HB2 ALA 99 HB2 ALA 99 8.445 10.207 -8.068 768 HB3 ALA 99 HB3 ALA 99 6.866 9.953 -7.324 769 H GLY 100 H GLY 100 5.730 11.134 -9.714 770 HA2 GLY 100 HA2 GLY 100 5.809 12.204 -11.990 771 HA3 GLY 100 HA3 GLY 100 7.552 11.973 -11.893 772 H LEU 101 H LEU 101 4.890 9.811 -10.964 773 HA LEU 101 HA LEU 101 5.899 7.854 -12.935 774 HB2 LEU 101 HB2 LEU 101 4.599 7.051 -10.348 775 HB3 LEU 101 HB3 LEU 101 5.659 6.107 -11.398 776 HG LEU 101 HG LEU 101 6.512 8.550 -9.814 777 HD11 LEU 101 HD11 LEU 101 6.880 5.580 -9.348 778 HD12 LEU 101 HD12 LEU 101 6.121 6.752 -8.271 779 HD13 LEU 101 HD13 LEU 101 7.862 6.808 -8.548 780 HD21 LEU 101 HD21 LEU 101 7.729 6.935 -11.955 781 HD22 LEU 101 HD22 LEU 101 8.757 7.120 -10.534 782 HD23 LEU 101 HD23 LEU 101 8.159 8.546 -11.380 783 HA PRO 102 HA PRO 102 1.717 8.677 -14.508 784 HB2 PRO 102 HB2 PRO 102 2.470 6.226 -16.046 785 HB3 PRO 102 HB3 PRO 102 1.764 7.748 -16.622 786 HG2 PRO 102 HG2 PRO 102 4.349 7.159 -16.971 787 HG3 PRO 102 HG3 PRO 102 3.784 8.814 -16.699 788 HD2 PRO 102 HD2 PRO 102 5.277 7.024 -14.865 789 HD3 PRO 102 HD3 PRO 102 5.194 8.798 -14.890 790 H VAL 103 H VAL 103 -0.310 7.640 -14.291 791 HA VAL 103 HA VAL 103 -0.285 5.249 -12.568 792 HB VAL 103 HB VAL 103 -2.457 6.047 -11.767 793 HG11 VAL 103 HG11 VAL 103 -0.665 6.835 -10.442 794 HG12 VAL 103 HG12 VAL 103 -1.602 8.286 -10.796 795 HG13 VAL 103 HG13 VAL 103 -0.123 7.949 -11.697 796 HG21 VAL 103 HG21 VAL 103 -3.194 8.348 -12.461 797 HG22 VAL 103 HG22 VAL 103 -3.277 7.157 -13.760 798 HG23 VAL 103 HG23 VAL 103 -1.946 8.313 -13.707 799 H ALA 104 H ALA 104 -2.345 3.925 -12.793 800 HA ALA 104 HA ALA 104 -3.220 3.820 -15.614 801 HB1 ALA 104 HB1 ALA 104 -2.338 1.776 -15.852 802 HB2 ALA 104 HB2 ALA 104 -3.261 1.199 -14.465 803 HB3 ALA 104 HB3 ALA 104 -1.656 1.890 -14.231 804 H VAL 105 H VAL 105 -5.351 3.267 -15.965 805 HA VAL 105 HA VAL 105 -7.062 3.289 -13.564 806 HB VAL 105 HB VAL 105 -8.058 3.672 -16.371 807 HG11 VAL 105 HG11 VAL 105 -9.877 4.709 -15.320 808 HG12 VAL 105 HG12 VAL 105 -8.947 5.088 -13.871 809 HG13 VAL 105 HG13 VAL 105 -9.468 3.431 -14.175 810 HG21 VAL 105 HG21 VAL 105 -6.632 5.437 -16.553 811 HG22 VAL 105 HG22 VAL 105 -6.256 5.429 -14.830 812 HG23 VAL 105 HG23 VAL 105 -7.720 6.223 -15.410 813 H ASN 106 H ASN 106 -8.235 1.548 -13.031 814 HA ASN 106 HA ASN 106 -7.874 -0.930 -14.383 815 HB2 ASN 106 HB2 ASN 106 -9.214 0.032 -11.973 816 HB3 ASN 106 HB3 ASN 106 -10.112 -1.251 -12.782 817 HD21 ASN 106 HD21 ASN 106 -9.527 -2.752 -11.016 818 HD22 ASN 106 HD22 ASN 106 -7.961 -3.402 -10.928 819 H LYS 107 H LYS 107 -8.703 -1.285 -16.349 820 HA LYS 107 HA LYS 107 -10.630 -0.024 -17.748 821 HB2 LYS 107 HB2 LYS 107 -9.253 -2.065 -18.438 822 HB3 LYS 107 HB3 LYS 107 -10.534 -3.039 -17.713 823 HG2 LYS 107 HG2 LYS 107 -12.060 -1.406 -19.198 824 HG3 LYS 107 HG3 LYS 107 -10.592 -1.360 -20.173 825 HD2 LYS 107 HD2 LYS 107 -10.578 -3.897 -20.074 826 HD3 LYS 107 HD3 LYS 107 -12.192 -3.799 -19.370 827 HE2 LYS 107 HE2 LYS 107 -13.151 -3.022 -21.329 828 HE3 LYS 107 HE3 LYS 107 -11.652 -2.280 -21.891 829 HZ1 LYS 107 HZ1 LYS 107 -11.265 -5.049 -21.634 830 HZ2 LYS 107 HZ2 LYS 107 -11.203 -4.098 -23.040 831 HZ3 LYS 107 HZ3 LYS 107 -12.673 -4.790 -22.544 Start of MODEL 3 1 H MET 1 H1 MET 1 4.652 -4.238 13.500 2 HA MET 1 HA MET 1 5.522 -2.501 15.449 3 HB2 MET 1 HB2 MET 1 6.409 -5.310 14.723 4 HB3 MET 1 HB3 MET 1 6.690 -4.536 16.283 5 HG2 MET 1 HG2 MET 1 3.904 -4.299 15.534 6 HG3 MET 1 HG3 MET 1 4.407 -5.990 15.504 7 HE1 MET 1 HE1 MET 1 2.661 -3.637 17.817 8 HE2 MET 1 HE2 MET 1 2.490 -5.046 18.859 9 HE3 MET 1 HE3 MET 1 2.270 -5.215 17.119 10 H ALA 2 H ALA 2 7.218 -3.732 12.629 11 HA ALA 2 HA ALA 2 9.567 -2.110 13.405 12 HB1 ALA 2 HB1 ALA 2 10.725 -3.870 11.783 13 HB2 ALA 2 HB2 ALA 2 9.383 -4.882 12.317 14 HB3 ALA 2 HB3 ALA 2 10.505 -4.210 13.500 15 H LEU 3 H LEU 3 7.052 -1.764 11.629 16 HA LEU 3 HA LEU 3 7.997 -1.550 8.948 17 HB2 LEU 3 HB2 LEU 3 5.924 -0.373 8.510 18 HB3 LEU 3 HB3 LEU 3 5.589 -1.735 9.581 19 HG LEU 3 HG LEU 3 6.165 0.225 11.396 20 HD11 LEU 3 HD11 LEU 3 6.320 1.889 9.529 21 HD12 LEU 3 HD12 LEU 3 5.052 2.274 10.694 22 HD13 LEU 3 HD13 LEU 3 4.633 1.553 9.140 23 HD21 LEU 3 HD21 LEU 3 3.597 -0.716 10.132 24 HD22 LEU 3 HD22 LEU 3 3.566 0.504 11.404 25 HD23 LEU 3 HD23 LEU 3 4.246 -1.090 11.729 26 H THR 4 H THR 4 8.473 0.344 7.756 27 HA THR 4 HA THR 4 9.206 2.708 9.366 28 HB THR 4 HB THR 4 10.906 1.372 7.249 29 HG1 THR 4 HG1 THR 4 11.276 1.819 10.024 30 HG21 THR 4 HG21 THR 4 11.016 3.829 7.111 31 HG22 THR 4 HG22 THR 4 12.524 3.167 7.742 32 HG23 THR 4 HG23 THR 4 11.361 3.912 8.838 33 H THR 5 H THR 5 9.191 4.698 8.234 34 HA THR 5 HA THR 5 7.231 4.812 6.120 35 HB THR 5 HB THR 5 8.284 7.344 6.316 36 HG1 THR 5 HG1 THR 5 9.585 7.103 7.988 37 HG21 THR 5 HG21 THR 5 5.910 6.714 6.434 38 HG22 THR 5 HG22 THR 5 6.338 7.779 7.774 39 HG23 THR 5 HG23 THR 5 6.163 6.045 8.047 40 H ILE 6 H ILE 6 7.543 5.562 4.010 41 HA ILE 6 HA ILE 6 10.294 5.949 3.094 42 HB ILE 6 HB ILE 6 8.879 3.489 2.745 43 HG12 ILE 6 HG12 ILE 6 11.404 4.334 1.335 44 HG13 ILE 6 HG13 ILE 6 11.368 4.050 3.072 45 HG21 ILE 6 HG21 ILE 6 8.925 3.246 0.320 46 HG22 ILE 6 HG22 ILE 6 9.484 4.906 0.136 47 HG23 ILE 6 HG23 ILE 6 7.862 4.586 0.749 48 HD11 ILE 6 HD11 ILE 6 12.041 2.037 1.685 49 HD12 ILE 6 HD12 ILE 6 10.398 2.024 1.045 50 HD13 ILE 6 HD13 ILE 6 10.675 1.766 2.767 51 H SER 7 H SER 7 10.391 6.694 0.850 52 HA SER 7 HA SER 7 8.032 8.359 0.211 53 HB2 SER 7 HB2 SER 7 10.848 8.800 -0.782 54 HB3 SER 7 HB3 SER 7 9.503 9.939 -0.785 55 HG SER 7 HG SER 7 10.153 8.881 1.679 56 HA PRO 8 HA PRO 8 7.014 6.082 -3.417 57 HB2 PRO 8 HB2 PRO 8 7.303 8.733 -4.783 58 HB3 PRO 8 HB3 PRO 8 5.984 7.551 -4.886 59 HG2 PRO 8 HG2 PRO 8 5.815 9.785 -3.402 60 HG3 PRO 8 HG3 PRO 8 4.999 8.276 -2.964 61 HD2 PRO 8 HD2 PRO 8 7.289 9.587 -1.655 62 HD3 PRO 8 HD3 PRO 8 6.215 8.316 -1.032 63 H HIS 9 H HIS 9 9.822 8.042 -3.111 64 HA HIS 9 HA HIS 9 11.079 7.361 -5.591 65 HB2 HIS 9 HB2 HIS 9 11.560 9.215 -3.625 66 HB3 HIS 9 HB3 HIS 9 12.849 8.043 -3.350 67 HD1 HIS 9 HD1 HIS 9 13.069 7.214 -6.435 68 HD2 HIS 9 HD2 HIS 9 13.239 11.094 -4.921 69 HE1 HIS 9 HE1 HIS 9 14.298 8.604 -8.160 70 H ASP 10 H ASP 10 11.089 6.005 -2.326 71 HA ASP 10 HA ASP 10 13.212 4.141 -2.873 72 HB2 ASP 10 HB2 ASP 10 12.130 5.093 -0.587 73 HB3 ASP 10 HB3 ASP 10 11.278 3.553 -0.709 74 H ALA 11 H ALA 11 9.701 3.770 -2.349 75 HA ALA 11 HA ALA 11 9.415 1.090 -2.901 76 HB1 ALA 11 HB1 ALA 11 7.208 2.219 -4.146 77 HB2 ALA 11 HB2 ALA 11 7.689 3.444 -2.972 78 HB3 ALA 11 HB3 ALA 11 7.330 1.802 -2.437 79 H GLN 12 H GLN 12 10.240 3.649 -5.073 80 HA GLN 12 HA GLN 12 9.489 2.358 -7.507 81 HB2 GLN 12 HB2 GLN 12 9.775 4.725 -7.560 82 HB3 GLN 12 HB3 GLN 12 11.400 4.611 -6.882 83 HG2 GLN 12 HG2 GLN 12 12.238 3.552 -8.882 84 HG3 GLN 12 HG3 GLN 12 10.609 3.396 -9.541 85 HE21 GLN 12 HE21 GLN 12 9.431 5.582 -9.877 86 HE22 GLN 12 HE22 GLN 12 10.376 6.898 -10.381 87 H GLU 13 H GLU 13 12.544 2.614 -5.704 88 HA GLU 13 HA GLU 13 14.092 1.143 -7.584 89 HB2 GLU 13 HB2 GLU 13 14.591 1.489 -4.619 90 HB3 GLU 13 HB3 GLU 13 15.783 1.055 -5.847 91 HG2 GLU 13 HG2 GLU 13 15.139 3.257 -7.009 92 HG3 GLU 13 HG3 GLU 13 14.338 3.685 -5.498 93 H LEU 14 H LEU 14 11.942 0.223 -5.008 94 HA LEU 14 HA LEU 14 12.935 -2.485 -4.801 95 HB2 LEU 14 HB2 LEU 14 10.242 -1.521 -3.855 96 HB3 LEU 14 HB3 LEU 14 11.231 -2.830 -3.206 97 HG LEU 14 HG LEU 14 11.893 0.126 -3.103 98 HD11 LEU 14 HD11 LEU 14 11.846 -0.884 -0.540 99 HD12 LEU 14 HD12 LEU 14 10.525 -1.760 -1.314 100 HD13 LEU 14 HD13 LEU 14 10.526 0.004 -1.300 101 HD21 LEU 14 HD21 LEU 14 13.617 -1.114 -1.399 102 HD22 LEU 14 HD22 LEU 14 14.021 -0.719 -3.069 103 HD23 LEU 14 HD23 LEU 14 13.474 -2.344 -2.655 104 H ILE 15 H ILE 15 10.104 -0.892 -6.252 105 HA ILE 15 HA ILE 15 8.681 -3.065 -7.164 106 HB ILE 15 HB ILE 15 9.176 -0.351 -8.365 107 HG12 ILE 15 HG12 ILE 15 6.679 -1.692 -7.279 108 HG13 ILE 15 HG13 ILE 15 7.734 -0.647 -6.326 109 HG21 ILE 15 HG21 ILE 15 8.776 -1.545 -10.340 110 HG22 ILE 15 HG22 ILE 15 7.146 -1.075 -9.856 111 HG23 ILE 15 HG23 ILE 15 7.725 -2.710 -9.537 112 HD11 ILE 15 HD11 ILE 15 6.520 1.098 -7.080 113 HD12 ILE 15 HD12 ILE 15 5.682 0.084 -8.254 114 HD13 ILE 15 HD13 ILE 15 7.237 0.807 -8.666 115 H ALA 16 H ALA 16 11.774 -1.924 -8.165 116 HA ALA 16 HA ALA 16 11.821 -3.364 -10.676 117 HB1 ALA 16 HB1 ALA 16 13.280 -1.596 -10.831 118 HB2 ALA 16 HB2 ALA 16 14.407 -2.828 -10.263 119 HB3 ALA 16 HB3 ALA 16 13.719 -1.670 -9.124 120 H ARG 17 H ARG 17 12.650 -3.954 -7.349 121 HA ARG 17 HA ARG 17 14.216 -6.328 -7.940 122 HB2 ARG 17 HB2 ARG 17 13.573 -4.714 -5.557 123 HB3 ARG 17 HB3 ARG 17 13.718 -6.447 -5.262 124 HG2 ARG 17 HG2 ARG 17 15.930 -6.497 -6.234 125 HG3 ARG 17 HG3 ARG 17 15.782 -4.824 -6.774 126 HD2 ARG 17 HD2 ARG 17 15.277 -4.518 -4.126 127 HD3 ARG 17 HD3 ARG 17 16.373 -5.896 -4.074 128 HE ARG 17 HE ARG 17 17.543 -4.024 -5.770 129 HH11 ARG 17 HH21 ARG 17 16.495 -4.256 -2.480 130 HH12 ARG 17 HH22 ARG 17 17.695 -3.164 -1.875 131 HH21 ARG 17 HH11 ARG 17 19.121 -2.592 -4.983 132 HH22 ARG 17 HH12 ARG 17 19.182 -2.222 -3.292 133 H GLY 18 H GLY 18 11.007 -5.534 -6.653 134 HA2 GLY 18 HA2 GLY 18 9.312 -7.226 -7.584 135 HA3 GLY 18 HA3 GLY 18 10.305 -8.399 -6.728 136 H ALA 19 H ALA 19 9.756 -5.189 -5.434 137 HA ALA 19 HA ALA 19 8.865 -6.124 -2.937 138 HB1 ALA 19 HB1 ALA 19 9.241 -3.973 -2.444 139 HB2 ALA 19 HB2 ALA 19 7.825 -3.507 -3.388 140 HB3 ALA 19 HB3 ALA 19 9.408 -3.605 -4.161 141 H LYS 20 H LYS 20 6.807 -6.159 -1.983 142 HA LYS 20 HA LYS 20 4.607 -6.517 -3.901 143 HB2 LYS 20 HB2 LYS 20 5.157 -7.532 -1.122 144 HB3 LYS 20 HB3 LYS 20 3.526 -7.554 -1.782 145 HG2 LYS 20 HG2 LYS 20 4.933 -8.636 -3.863 146 HG3 LYS 20 HG3 LYS 20 5.867 -9.216 -2.485 147 HD2 LYS 20 HD2 LYS 20 2.913 -9.619 -3.005 148 HD3 LYS 20 HD3 LYS 20 4.165 -10.858 -2.907 149 HE2 LYS 20 HE2 LYS 20 3.646 -11.056 -0.721 150 HE3 LYS 20 HE3 LYS 20 4.375 -9.469 -0.490 151 HZ1 LYS 20 HZ1 LYS 20 2.256 -8.438 -0.901 152 HZ2 LYS 20 HZ2 LYS 20 2.090 -9.583 0.344 153 HZ3 LYS 20 HZ3 LYS 20 1.538 -9.941 -1.223 154 H LEU 21 H LEU 21 3.661 -4.568 -4.220 155 HA LEU 21 HA LEU 21 3.147 -2.810 -1.937 156 HB2 LEU 21 HB2 LEU 21 2.651 -2.436 -4.901 157 HB3 LEU 21 HB3 LEU 21 2.351 -1.216 -3.664 158 HG LEU 21 HG LEU 21 4.805 -1.520 -2.987 159 HD11 LEU 21 HD11 LEU 21 4.642 -3.162 -5.493 160 HD12 LEU 21 HD12 LEU 21 5.540 -3.477 -4.007 161 HD13 LEU 21 HD13 LEU 21 6.123 -2.267 -5.151 162 HD21 LEU 21 HD21 LEU 21 4.154 0.484 -4.136 163 HD22 LEU 21 HD22 LEU 21 3.979 -0.374 -5.666 164 HD23 LEU 21 HD23 LEU 21 5.583 -0.121 -4.975 165 H ILE 22 H ILE 22 1.227 -2.686 -0.942 166 HA ILE 22 HA ILE 22 -1.119 -3.873 -2.297 167 HB ILE 22 HB ILE 22 -0.735 -3.993 0.682 168 HG12 ILE 22 HG12 ILE 22 0.005 -6.217 -1.233 169 HG13 ILE 22 HG13 ILE 22 1.203 -5.092 -0.589 170 HG21 ILE 22 HG21 ILE 22 -2.169 -5.991 -1.032 171 HG22 ILE 22 HG22 ILE 22 -2.933 -4.432 -0.727 172 HG23 ILE 22 HG23 ILE 22 -2.513 -5.487 0.621 173 HD11 ILE 22 HD11 ILE 22 1.189 -7.010 0.862 174 HD12 ILE 22 HD12 ILE 22 -0.569 -6.977 0.981 175 HD13 ILE 22 HD13 ILE 22 0.388 -5.699 1.728 176 H ASP 23 H ASP 23 -3.046 -2.842 -2.062 177 HA ASP 23 HA ASP 23 -2.956 -0.186 -0.780 178 HB2 ASP 23 HB2 ASP 23 -3.524 -0.274 -3.206 179 HB3 ASP 23 HB3 ASP 23 -4.928 -1.263 -2.811 180 H ILE 24 H ILE 24 -4.767 0.477 0.527 181 HA ILE 24 HA ILE 24 -6.651 -1.602 1.331 182 HB ILE 24 HB ILE 24 -6.129 -1.382 3.701 183 HG12 ILE 24 HG12 ILE 24 -3.548 -0.189 3.618 184 HG13 ILE 24 HG13 ILE 24 -4.641 0.905 2.773 185 HG21 ILE 24 HG21 ILE 24 -4.960 -3.066 2.211 186 HG22 ILE 24 HG22 ILE 24 -4.098 -2.664 3.697 187 HG23 ILE 24 HG23 ILE 24 -3.588 -1.958 2.164 188 HD11 ILE 24 HD11 ILE 24 -4.976 -0.192 5.576 189 HD12 ILE 24 HD12 ILE 24 -6.220 0.724 4.726 190 HD13 ILE 24 HD13 ILE 24 -4.679 1.486 5.123 191 H ARG 25 H ARG 25 -8.241 -0.318 0.474 192 HA ARG 25 HA ARG 25 -9.429 1.591 2.200 193 HB2 ARG 25 HB2 ARG 25 -7.424 2.776 0.854 194 HB3 ARG 25 HB3 ARG 25 -8.709 2.944 -0.343 195 HG2 ARG 25 HG2 ARG 25 -10.150 4.032 1.300 196 HG3 ARG 25 HG3 ARG 25 -8.940 3.785 2.560 197 HD2 ARG 25 HD2 ARG 25 -7.372 5.237 1.420 198 HD3 ARG 25 HD3 ARG 25 -8.444 5.376 0.031 199 HE ARG 25 HE ARG 25 -8.734 6.739 2.593 200 HH11 ARG 25 HH21 ARG 25 -10.123 5.769 -0.423 201 HH12 ARG 25 HH22 ARG 25 -11.349 6.993 -0.410 202 HH21 ARG 25 HH11 ARG 25 -10.338 8.348 2.618 203 HH22 ARG 25 HH12 ARG 25 -11.470 8.454 1.312 204 H ASP 26 H ASP 26 -10.496 3.047 -0.250 205 HA ASP 26 HA ASP 26 -12.597 1.103 -0.837 206 HB2 ASP 26 HB2 ASP 26 -12.382 3.995 -0.746 207 HB3 ASP 26 HB3 ASP 26 -13.131 3.456 -2.245 208 H ALA 27 H ALA 27 -12.480 -0.157 -2.573 209 HA ALA 27 HA ALA 27 -10.484 0.055 -4.551 210 HB1 ALA 27 HB1 ALA 27 -13.015 -1.323 -5.265 211 HB2 ALA 27 HB2 ALA 27 -12.160 -1.918 -3.840 212 HB3 ALA 27 HB3 ALA 27 -11.346 -1.879 -5.405 213 H ASP 28 H ASP 28 -13.882 1.085 -4.519 214 HA ASP 28 HA ASP 28 -14.213 1.840 -7.157 215 HB2 ASP 28 HB2 ASP 28 -15.174 3.567 -4.881 216 HB3 ASP 28 HB3 ASP 28 -15.957 3.258 -6.429 217 H GLU 29 H GLU 29 -12.243 3.277 -4.688 218 HA GLU 29 HA GLU 29 -11.792 5.735 -6.184 219 HB2 GLU 29 HB2 GLU 29 -10.883 4.646 -3.538 220 HB3 GLU 29 HB3 GLU 29 -10.029 6.003 -4.272 221 HG2 GLU 29 HG2 GLU 29 -12.976 6.230 -4.287 222 HG3 GLU 29 HG3 GLU 29 -12.235 6.272 -2.688 223 H TYR 30 H TYR 30 -9.983 2.835 -5.230 224 HA TYR 30 HA TYR 30 -7.576 3.580 -6.575 225 HB2 TYR 30 HB2 TYR 30 -8.148 1.720 -4.714 226 HB3 TYR 30 HB3 TYR 30 -8.198 0.706 -6.155 227 HD1 TYR 30 HD2 TYR 30 -6.090 3.582 -4.959 228 HD2 TYR 30 HD1 TYR 30 -6.198 -0.388 -6.595 229 HE1 TYR 30 HE2 TYR 30 -3.611 3.540 -5.021 230 HE2 TYR 30 HE1 TYR 30 -3.719 -0.431 -6.654 231 HH TYR 30 HH TYR 30 -1.804 2.310 -5.421 232 H LEU 31 H LEU 31 -10.495 1.893 -7.481 233 HA LEU 31 HA LEU 31 -9.686 0.567 -9.786 234 HB2 LEU 31 HB2 LEU 31 -11.952 0.443 -8.695 235 HB3 LEU 31 HB3 LEU 31 -12.327 1.997 -9.442 236 HG LEU 31 HG LEU 31 -11.437 0.722 -11.622 237 HD11 LEU 31 HD11 LEU 31 -12.810 -1.518 -10.146 238 HD12 LEU 31 HD12 LEU 31 -11.058 -1.329 -10.070 239 HD13 LEU 31 HD13 LEU 31 -11.849 -1.598 -11.624 240 HD21 LEU 31 HD21 LEU 31 -13.593 1.681 -11.671 241 HD22 LEU 31 HD22 LEU 31 -14.160 0.693 -10.326 242 HD23 LEU 31 HD23 LEU 31 -13.909 -0.038 -11.910 243 H ARG 32 H ARG 32 -11.156 3.826 -9.614 244 HA ARG 32 HA ARG 32 -10.859 4.519 -12.281 245 HB2 ARG 32 HB2 ARG 32 -11.324 6.703 -11.639 246 HB3 ARG 32 HB3 ARG 32 -11.965 5.793 -10.270 247 HG2 ARG 32 HG2 ARG 32 -9.596 6.068 -9.250 248 HG3 ARG 32 HG3 ARG 32 -9.389 7.340 -10.453 249 HD2 ARG 32 HD2 ARG 32 -11.812 7.283 -8.663 250 HD3 ARG 32 HD3 ARG 32 -10.303 8.015 -8.122 251 HE ARG 32 HE ARG 32 -10.624 9.742 -9.678 252 HH11 ARG 32 HH21 ARG 32 -12.919 7.180 -10.059 253 HH12 ARG 32 HH22 ARG 32 -13.954 8.078 -11.118 254 HH21 ARG 32 HH11 ARG 32 -11.980 10.928 -11.064 255 HH22 ARG 32 HH12 ARG 32 -13.423 10.200 -11.686 256 H GLU 33 H GLU 33 -8.486 4.380 -9.732 257 HA GLU 33 HA GLU 33 -6.358 4.768 -11.685 258 HB2 GLU 33 HB2 GLU 33 -7.036 7.050 -10.685 259 HB3 GLU 33 HB3 GLU 33 -6.301 6.459 -9.194 260 HG2 GLU 33 HG2 GLU 33 -4.213 5.959 -10.500 261 HG3 GLU 33 HG3 GLU 33 -4.956 6.748 -11.892 262 H HIS 34 H HIS 34 -4.865 3.241 -11.306 263 HA HIS 34 HA HIS 34 -4.134 2.581 -8.557 264 HB2 HIS 34 HB2 HIS 34 -4.620 0.267 -8.681 265 HB3 HIS 34 HB3 HIS 34 -6.074 1.071 -9.266 266 HD1 HIS 34 HD1 HIS 34 -4.254 1.690 -12.048 267 HD2 HIS 34 HD2 HIS 34 -5.499 -1.941 -10.423 268 HE1 HIS 34 HE1 HIS 34 -4.234 0.009 -13.945 269 H ILE 35 H ILE 35 -2.397 0.758 -8.642 270 HA ILE 35 HA ILE 35 -0.499 1.480 -10.786 271 HB ILE 35 HB ILE 35 0.094 0.336 -8.050 272 HG12 ILE 35 HG12 ILE 35 0.543 3.176 -8.988 273 HG13 ILE 35 HG13 ILE 35 -0.939 2.692 -8.163 274 HG21 ILE 35 HG21 ILE 35 1.788 -0.116 -9.810 275 HG22 ILE 35 HG22 ILE 35 2.400 0.991 -8.581 276 HG23 ILE 35 HG23 ILE 35 1.878 1.613 -10.146 277 HD11 ILE 35 HD11 ILE 35 1.150 3.603 -6.794 278 HD12 ILE 35 HD12 ILE 35 1.675 1.925 -6.928 279 HD13 ILE 35 HD13 ILE 35 0.138 2.308 -6.151 280 HA PRO 36 HA PRO 36 -1.503 -2.761 -12.103 281 HB2 PRO 36 HB2 PRO 36 0.650 -2.125 -14.049 282 HB3 PRO 36 HB3 PRO 36 -0.983 -2.749 -14.332 283 HG2 PRO 36 HG2 PRO 36 -0.324 -0.220 -14.877 284 HG3 PRO 36 HG3 PRO 36 -1.934 -0.669 -14.291 285 HD2 PRO 36 HD2 PRO 36 0.294 0.674 -12.825 286 HD3 PRO 36 HD3 PRO 36 -1.465 0.846 -12.620 287 H GLU 37 H GLU 37 0.725 -1.843 -10.168 288 HA GLU 37 HA GLU 37 2.268 -4.336 -10.341 289 HB2 GLU 37 HB2 GLU 37 3.459 -1.599 -9.822 290 HB3 GLU 37 HB3 GLU 37 4.330 -3.131 -9.749 291 HG2 GLU 37 HG2 GLU 37 2.846 -2.234 -12.225 292 HG3 GLU 37 HG3 GLU 37 4.536 -1.824 -11.939 293 H ALA 38 H ALA 38 0.016 -3.742 -8.712 294 HA ALA 38 HA ALA 38 1.188 -4.233 -6.101 295 HB1 ALA 38 HB1 ALA 38 0.989 -1.696 -6.386 296 HB2 ALA 38 HB2 ALA 38 0.226 -2.397 -4.960 297 HB3 ALA 38 HB3 ALA 38 -0.757 -1.943 -6.351 298 H ASP 39 H ASP 39 -0.269 -5.173 -4.632 299 HA ASP 39 HA ASP 39 -2.580 -6.416 -5.907 300 HB2 ASP 39 HB2 ASP 39 -1.102 -7.842 -4.601 301 HB3 ASP 39 HB3 ASP 39 -1.322 -6.818 -3.183 302 H LEU 40 H LEU 40 -4.604 -5.735 -5.659 303 HA LEU 40 HA LEU 40 -5.183 -3.517 -3.865 304 HB2 LEU 40 HB2 LEU 40 -6.120 -3.431 -6.099 305 HB3 LEU 40 HB3 LEU 40 -6.881 -5.006 -5.882 306 HG LEU 40 HG LEU 40 -8.217 -4.057 -3.996 307 HD11 LEU 40 HD11 LEU 40 -7.090 -2.223 -3.137 308 HD12 LEU 40 HD12 LEU 40 -8.241 -1.402 -4.193 309 HD13 LEU 40 HD13 LEU 40 -6.581 -1.660 -4.730 310 HD21 LEU 40 HD21 LEU 40 -8.613 -3.793 -6.723 311 HD22 LEU 40 HD22 LEU 40 -8.868 -2.150 -6.132 312 HD23 LEU 40 HD23 LEU 40 -9.828 -3.480 -5.484 313 H ALA 41 H ALA 41 -5.752 -3.875 -1.805 314 HA ALA 41 HA ALA 41 -7.593 -6.081 -1.216 315 HB1 ALA 41 HB1 ALA 41 -4.999 -6.549 -0.791 316 HB2 ALA 41 HB2 ALA 41 -6.248 -7.147 0.301 317 HB3 ALA 41 HB3 ALA 41 -5.356 -5.681 0.703 318 HA PRO 42 HA PRO 42 -9.196 -2.173 0.581 319 HB2 PRO 42 HB2 PRO 42 -11.321 -4.186 1.215 320 HB3 PRO 42 HB3 PRO 42 -11.483 -2.535 0.585 321 HG2 PRO 42 HG2 PRO 42 -11.757 -4.661 -0.996 322 HG3 PRO 42 HG3 PRO 42 -11.003 -3.163 -1.568 323 HD2 PRO 42 HD2 PRO 42 -9.733 -5.773 -0.920 324 HD3 PRO 42 HD3 PRO 42 -9.200 -4.507 -2.049 325 H LEU 43 H LEU 43 -8.486 -1.556 2.533 326 HA LEU 43 HA LEU 43 -7.357 -3.025 4.501 327 HB2 LEU 43 HB2 LEU 43 -7.240 -1.045 5.558 328 HB3 LEU 43 HB3 LEU 43 -8.194 -0.377 4.236 329 HG LEU 43 HG LEU 43 -10.267 -1.106 5.526 330 HD11 LEU 43 HD11 LEU 43 -9.103 -1.037 8.122 331 HD12 LEU 43 HD12 LEU 43 -8.213 -2.237 7.185 332 HD13 LEU 43 HD13 LEU 43 -9.962 -2.374 7.358 333 HD21 LEU 43 HD21 LEU 43 -9.366 1.238 5.468 334 HD22 LEU 43 HD22 LEU 43 -8.457 0.879 6.936 335 HD23 LEU 43 HD23 LEU 43 -10.220 0.854 6.962 336 H SER 44 H SER 44 -10.781 -2.730 3.869 337 HA SER 44 HA SER 44 -11.636 -3.884 6.358 338 HB2 SER 44 HB2 SER 44 -13.749 -4.260 4.708 339 HB3 SER 44 HB3 SER 44 -13.407 -2.734 5.519 340 HG SER 44 HG SER 44 -13.728 -2.679 3.159 341 H VAL 45 H VAL 45 -10.769 -5.104 3.194 342 HA VAL 45 HA VAL 45 -11.920 -7.689 3.472 343 HB VAL 45 HB VAL 45 -10.906 -6.384 1.382 344 HG11 VAL 45 HG11 VAL 45 -8.726 -7.150 0.757 345 HG12 VAL 45 HG12 VAL 45 -8.676 -8.302 2.093 346 HG13 VAL 45 HG13 VAL 45 -8.583 -6.570 2.417 347 HG21 VAL 45 HG21 VAL 45 -12.212 -8.365 1.104 348 HG22 VAL 45 HG22 VAL 45 -10.988 -9.366 1.884 349 HG23 VAL 45 HG23 VAL 45 -10.682 -8.684 0.286 350 H LEU 46 H LEU 46 -8.744 -6.349 4.255 351 HA LEU 46 HA LEU 46 -7.571 -8.865 4.956 352 HB2 LEU 46 HB2 LEU 46 -6.327 -6.767 4.263 353 HB3 LEU 46 HB3 LEU 46 -6.670 -6.134 5.873 354 HG LEU 46 HG LEU 46 -5.615 -8.858 5.959 355 HD11 LEU 46 HD11 LEU 46 -4.278 -8.377 4.077 356 HD12 LEU 46 HD12 LEU 46 -3.241 -7.943 5.436 357 HD13 LEU 46 HD13 LEU 46 -4.086 -6.685 4.536 358 HD21 LEU 46 HD21 LEU 46 -4.005 -7.655 7.530 359 HD22 LEU 46 HD22 LEU 46 -5.713 -7.521 7.951 360 HD23 LEU 46 HD23 LEU 46 -4.890 -6.175 7.162 361 H GLU 47 H GLU 47 -9.063 -6.224 6.798 362 HA GLU 47 HA GLU 47 -8.494 -7.259 9.370 363 HB2 GLU 47 HB2 GLU 47 -9.509 -4.925 8.481 364 HB3 GLU 47 HB3 GLU 47 -10.996 -5.714 9.008 365 HG2 GLU 47 HG2 GLU 47 -9.644 -6.290 11.161 366 HG3 GLU 47 HG3 GLU 47 -8.566 -4.999 10.631 367 H GLN 48 H GLN 48 -11.053 -7.922 7.064 368 HA GLN 48 HA GLN 48 -12.499 -9.539 9.038 369 HB2 GLN 48 HB2 GLN 48 -14.241 -9.709 7.324 370 HB3 GLN 48 HB3 GLN 48 -13.805 -8.024 7.603 371 HG2 GLN 48 HG2 GLN 48 -13.541 -7.906 5.357 372 HG3 GLN 48 HG3 GLN 48 -12.027 -8.768 5.633 373 HE21 GLN 48 HE21 GLN 48 -15.260 -10.209 6.064 374 HE22 GLN 48 HE22 GLN 48 -15.110 -11.322 4.791 375 H SER 49 H SER 49 -10.578 -9.863 6.112 376 HA SER 49 HA SER 49 -11.084 -12.741 6.001 377 HB2 SER 49 HB2 SER 49 -10.964 -11.293 3.927 378 HB3 SER 49 HB3 SER 49 -9.240 -11.118 4.246 379 HG SER 49 HG SER 49 -9.070 -12.954 3.249 380 H GLY 50 H GLY 50 -8.385 -10.498 6.504 381 HA2 GLY 50 HA2 GLY 50 -6.398 -10.766 7.646 382 HA3 GLY 50 HA3 GLY 50 -7.070 -12.239 8.335 383 H LEU 51 H LEU 51 -5.926 -11.047 5.183 384 HA LEU 51 HA LEU 51 -4.852 -13.716 4.594 385 HB2 LEU 51 HB2 LEU 51 -6.309 -12.370 2.950 386 HB3 LEU 51 HB3 LEU 51 -4.873 -11.376 2.701 387 HG LEU 51 HG LEU 51 -3.692 -13.726 2.398 388 HD11 LEU 51 HD11 LEU 51 -6.444 -14.378 1.346 389 HD12 LEU 51 HD12 LEU 51 -5.965 -14.831 2.982 390 HD13 LEU 51 HD13 LEU 51 -5.078 -15.465 1.596 391 HD21 LEU 51 HD21 LEU 51 -5.205 -11.976 0.536 392 HD22 LEU 51 HD22 LEU 51 -4.751 -13.558 -0.098 393 HD23 LEU 51 HD23 LEU 51 -3.509 -12.459 0.499 394 HA PRO 52 HA PRO 52 -0.936 -11.793 5.778 395 HB2 PRO 52 HB2 PRO 52 0.479 -14.103 6.039 396 HB3 PRO 52 HB3 PRO 52 -0.650 -13.519 7.277 397 HG2 PRO 52 HG2 PRO 52 -0.993 -15.670 5.267 398 HG3 PRO 52 HG3 PRO 52 -1.610 -15.556 6.922 399 HD2 PRO 52 HD2 PRO 52 -3.108 -15.043 4.630 400 HD3 PRO 52 HD3 PRO 52 -3.517 -14.473 6.262 401 H ALA 53 H ALA 53 -1.314 -11.264 3.257 402 HA ALA 53 HA ALA 53 -0.179 -12.644 1.184 403 HB1 ALA 53 HB1 ALA 53 0.550 -9.774 1.277 404 HB2 ALA 53 HB2 ALA 53 -1.167 -10.137 1.446 405 HB3 ALA 53 HB3 ALA 53 -0.285 -10.686 0.021 406 H LYS 54 H LYS 54 1.394 -11.285 3.923 407 HA LYS 54 HA LYS 54 3.992 -10.851 3.024 408 HB2 LYS 54 HB2 LYS 54 3.707 -10.198 5.218 409 HB3 LYS 54 HB3 LYS 54 2.762 -11.625 5.633 410 HG2 LYS 54 HG2 LYS 54 4.792 -13.012 5.575 411 HG3 LYS 54 HG3 LYS 54 5.750 -11.606 5.102 412 HD2 LYS 54 HD2 LYS 54 5.369 -10.530 7.203 413 HD3 LYS 54 HD3 LYS 54 4.105 -11.681 7.637 414 HE2 LYS 54 HE2 LYS 54 6.259 -12.164 8.795 415 HE3 LYS 54 HE3 LYS 54 5.736 -13.493 7.759 416 HZ1 LYS 54 HZ1 LYS 54 7.620 -11.385 6.867 417 HZ2 LYS 54 HZ2 LYS 54 7.260 -12.852 6.090 418 HZ3 LYS 54 HZ3 LYS 54 8.128 -12.850 7.550 419 H LEU 55 H LEU 55 2.231 -13.794 3.353 420 HA LEU 55 HA LEU 55 4.521 -15.531 3.523 421 HB2 LEU 55 HB2 LEU 55 1.813 -15.825 3.980 422 HB3 LEU 55 HB3 LEU 55 2.061 -16.722 2.482 423 HG LEU 55 HG LEU 55 4.108 -17.761 3.685 424 HD11 LEU 55 HD11 LEU 55 4.289 -16.346 5.601 425 HD12 LEU 55 HD12 LEU 55 3.665 -17.882 6.202 426 HD13 LEU 55 HD13 LEU 55 2.574 -16.515 5.975 427 HD21 LEU 55 HD21 LEU 55 1.281 -18.370 4.605 428 HD22 LEU 55 HD22 LEU 55 2.654 -19.467 4.747 429 HD23 LEU 55 HD23 LEU 55 2.055 -19.006 3.154 430 H ARG 56 H ARG 56 3.259 -13.678 1.054 431 HA ARG 56 HA ARG 56 4.057 -15.585 -1.038 432 HB2 ARG 56 HB2 ARG 56 2.754 -12.904 -1.485 433 HB3 ARG 56 HB3 ARG 56 2.797 -14.293 -2.571 434 HG2 ARG 56 HG2 ARG 56 1.383 -15.575 -1.042 435 HG3 ARG 56 HG3 ARG 56 1.389 -14.242 0.114 436 HD2 ARG 56 HD2 ARG 56 -0.495 -14.624 -1.873 437 HD3 ARG 56 HD3 ARG 56 -0.201 -13.110 -1.021 438 HE ARG 56 HE ARG 56 1.608 -12.957 -2.998 439 HH11 ARG 56 HH21 ARG 56 -1.719 -13.902 -2.962 440 HH12 ARG 56 HH22 ARG 56 -2.039 -13.344 -4.570 441 HH21 ARG 56 HH11 ARG 56 1.198 -12.218 -5.107 442 HH22 ARG 56 HH12 ARG 56 -0.388 -12.389 -5.783 443 H HIS 57 H HIS 57 5.704 -13.744 0.820 444 HA HIS 57 HA HIS 57 7.876 -13.331 -0.890 445 HB2 HIS 57 HB2 HIS 57 6.030 -11.485 -1.553 446 HB3 HIS 57 HB3 HIS 57 6.848 -10.624 -0.251 447 HD1 HIS 57 HD1 HIS 57 7.962 -12.737 -3.239 448 HD2 HIS 57 HD2 HIS 57 9.011 -9.238 -1.232 449 HE1 HIS 57 HE1 HIS 57 9.955 -11.776 -4.470 450 H GLU 58 H GLU 58 9.063 -11.086 0.208 451 HA GLU 58 HA GLU 58 9.175 -11.745 3.091 452 HB2 GLU 58 HB2 GLU 58 11.161 -12.554 1.821 453 HB3 GLU 58 HB3 GLU 58 11.480 -10.893 1.322 454 HG2 GLU 58 HG2 GLU 58 11.622 -10.230 3.711 455 HG3 GLU 58 HG3 GLU 58 11.388 -11.915 4.173 456 H GLN 59 H GLN 59 9.113 -9.328 0.602 457 HA GLN 59 HA GLN 59 9.181 -7.201 2.654 458 HB2 GLN 59 HB2 GLN 59 10.211 -7.367 -0.131 459 HB3 GLN 59 HB3 GLN 59 9.518 -5.827 0.374 460 HG2 GLN 59 HG2 GLN 59 11.152 -5.447 1.952 461 HG3 GLN 59 HG3 GLN 59 11.395 -7.164 2.266 462 HE21 GLN 59 HE21 GLN 59 12.807 -4.485 0.766 463 HE22 GLN 59 HE22 GLN 59 13.866 -5.312 -0.273 464 H ILE 60 H ILE 60 7.406 -5.949 2.898 465 HA ILE 60 HA ILE 60 5.301 -6.089 0.838 466 HB ILE 60 HB ILE 60 4.476 -6.006 3.694 467 HG12 ILE 60 HG12 ILE 60 4.475 -8.592 3.569 468 HG13 ILE 60 HG13 ILE 60 5.672 -8.395 2.289 469 HG21 ILE 60 HG21 ILE 60 3.153 -6.102 1.316 470 HG22 ILE 60 HG22 ILE 60 2.481 -6.712 2.828 471 HG23 ILE 60 HG23 ILE 60 3.253 -7.822 1.696 472 HD11 ILE 60 HD11 ILE 60 6.037 -8.206 5.147 473 HD12 ILE 60 HD12 ILE 60 6.487 -6.681 4.382 474 HD13 ILE 60 HD13 ILE 60 7.256 -8.185 3.873 475 H ILE 61 H ILE 61 4.152 -4.214 0.520 476 HA ILE 61 HA ILE 61 4.782 -1.924 2.275 477 HB ILE 61 HB ILE 61 4.576 -1.678 -0.724 478 HG12 ILE 61 HG12 ILE 61 6.986 -2.209 1.028 479 HG13 ILE 61 HG13 ILE 61 6.478 -3.090 -0.414 480 HG21 ILE 61 HG21 ILE 61 6.165 0.163 0.977 481 HG22 ILE 61 HG22 ILE 61 4.417 0.218 1.206 482 HG23 ILE 61 HG23 ILE 61 5.108 0.522 -0.388 483 HD11 ILE 61 HD11 ILE 61 8.309 -1.666 -1.064 484 HD12 ILE 61 HD12 ILE 61 7.573 -0.269 -0.280 485 HD13 ILE 61 HD13 ILE 61 6.837 -0.956 -1.728 486 H PHE 62 H PHE 62 3.124 -0.444 2.568 487 HA PHE 62 HA PHE 62 0.528 -1.149 1.331 488 HB2 PHE 62 HB2 PHE 62 1.192 -0.434 4.182 489 HB3 PHE 62 HB3 PHE 62 -0.437 -0.235 3.536 490 HD1 PHE 62 HD2 PHE 62 -1.410 -2.320 2.242 491 HD2 PHE 62 HD1 PHE 62 1.814 -2.500 5.076 492 HE1 PHE 62 HE2 PHE 62 -1.839 -4.740 2.577 493 HE2 PHE 62 HE1 PHE 62 1.384 -4.920 5.412 494 HZ PHE 62 HZ PHE 62 -0.443 -6.038 4.161 495 H HIS 63 H HIS 63 -0.747 0.520 0.619 496 HA HIS 63 HA HIS 63 -0.010 3.275 1.254 497 HB2 HIS 63 HB2 HIS 63 0.052 3.907 -1.152 498 HB3 HIS 63 HB3 HIS 63 1.381 2.852 -0.680 499 HD1 HIS 63 HD1 HIS 63 1.175 0.298 -1.390 500 HD2 HIS 63 HD2 HIS 63 -1.693 2.821 -3.058 501 HE1 HIS 63 HE1 HIS 63 0.099 -0.994 -3.282 502 H CYS 64 H CYS 64 -1.724 4.558 1.352 503 HA CYS 64 HA CYS 64 -4.287 3.536 0.282 504 HB2 CYS 64 HB2 CYS 64 -4.100 5.432 2.602 505 HB3 CYS 64 HB3 CYS 64 -5.409 4.333 2.165 506 HG CYS 64 HG CYS 64 -4.256 2.978 3.961 507 H GLN 65 H GLN 65 -5.795 5.090 -0.506 508 HA GLN 65 HA GLN 65 -5.126 6.850 -2.359 509 HB2 GLN 65 HB2 GLN 65 -7.459 6.490 -1.689 510 HB3 GLN 65 HB3 GLN 65 -7.199 7.456 -0.237 511 HG2 GLN 65 HG2 GLN 65 -6.379 8.789 -2.734 512 HG3 GLN 65 HG3 GLN 65 -8.107 8.456 -2.627 513 HE21 GLN 65 HE21 GLN 65 -9.283 9.385 -0.741 514 HE22 GLN 65 HE22 GLN 65 -8.648 10.737 0.066 515 H ALA 66 H ALA 66 -4.999 7.606 1.103 516 HA ALA 66 HA ALA 66 -3.304 9.936 0.439 517 HB1 ALA 66 HB1 ALA 66 -4.491 11.319 1.791 518 HB2 ALA 66 HB2 ALA 66 -4.807 10.051 2.976 519 HB3 ALA 66 HB3 ALA 66 -5.793 10.159 1.518 520 H GLY 67 H GLY 67 -4.254 7.932 3.249 521 HA2 GLY 67 HA2 GLY 67 -2.022 6.563 3.828 522 HA3 GLY 67 HA3 GLY 67 -1.578 8.180 4.367 523 H LYS 68 H LYS 68 -4.189 8.960 5.262 524 HA LYS 68 HA LYS 68 -4.155 8.318 7.918 525 HB2 LYS 68 HB2 LYS 68 -5.681 9.963 6.566 526 HB3 LYS 68 HB3 LYS 68 -6.812 8.608 6.561 527 HG2 LYS 68 HG2 LYS 68 -6.620 8.470 9.038 528 HG3 LYS 68 HG3 LYS 68 -5.561 9.880 9.014 529 HD2 LYS 68 HD2 LYS 68 -7.637 10.845 7.570 530 HD3 LYS 68 HD3 LYS 68 -8.498 9.715 8.615 531 HE2 LYS 68 HE2 LYS 68 -7.579 10.768 10.602 532 HE3 LYS 68 HE3 LYS 68 -6.551 11.811 9.618 533 HZ1 LYS 68 HZ1 LYS 68 -8.441 13.066 10.238 534 HZ2 LYS 68 HZ2 LYS 68 -9.512 11.828 9.784 535 HZ3 LYS 68 HZ3 LYS 68 -8.640 12.679 8.599 536 H ARG 69 H ARG 69 -5.408 6.381 5.287 537 HA ARG 69 HA ARG 69 -6.849 4.539 6.963 538 HB2 ARG 69 HB2 ARG 69 -7.102 5.031 4.394 539 HB3 ARG 69 HB3 ARG 69 -5.842 3.810 4.241 540 HG2 ARG 69 HG2 ARG 69 -7.860 2.576 4.121 541 HG3 ARG 69 HG3 ARG 69 -7.304 2.352 5.780 542 HD2 ARG 69 HD2 ARG 69 -9.177 3.300 6.579 543 HD3 ARG 69 HD3 ARG 69 -8.888 4.748 5.621 544 HE ARG 69 HE ARG 69 -9.908 3.060 3.780 545 HH11 ARG 69 HH21 ARG 69 -10.848 3.893 7.005 546 HH12 ARG 69 HH22 ARG 69 -12.539 3.649 6.723 547 HH21 ARG 69 HH11 ARG 69 -12.126 2.734 3.403 548 HH22 ARG 69 HH12 ARG 69 -13.263 2.993 4.684 549 H THR 70 H THR 70 -3.616 4.698 5.559 550 HA THR 70 HA THR 70 -2.828 2.049 6.179 551 HB THR 70 HB THR 70 -0.704 4.065 6.263 552 HG1 THR 70 HG1 THR 70 -2.420 5.019 4.935 553 HG21 THR 70 HG21 THR 70 -1.323 1.804 4.343 554 HG22 THR 70 HG22 THR 70 -0.416 1.622 5.845 555 HG23 THR 70 HG23 THR 70 0.230 2.617 4.540 556 H SER 71 H SER 71 -2.536 5.125 7.925 557 HA SER 71 HA SER 71 -1.051 4.101 10.115 558 HB2 SER 71 HB2 SER 71 -1.159 6.225 10.924 559 HB3 SER 71 HB3 SER 71 -1.747 6.591 9.304 560 HG SER 71 HG SER 71 -3.385 5.878 11.514 561 H ASN 72 H ASN 72 -4.378 3.910 9.239 562 HA ASN 72 HA ASN 72 -5.339 3.375 11.923 563 HB2 ASN 72 HB2 ASN 72 -6.719 2.993 9.257 564 HB3 ASN 72 HB3 ASN 72 -7.489 2.981 10.843 565 HD21 ASN 72 HD21 ASN 72 -5.161 5.254 11.230 566 HD22 ASN 72 HD22 ASN 72 -6.008 6.641 10.737 567 H ASN 73 H ASN 73 -4.632 1.530 8.982 568 HA ASN 73 HA ASN 73 -5.175 -0.978 10.417 569 HB2 ASN 73 HB2 ASN 73 -5.919 -0.296 7.942 570 HB3 ASN 73 HB3 ASN 73 -4.329 -0.959 7.563 571 HD21 ASN 73 HD21 ASN 73 -6.770 -1.969 10.021 572 HD22 ASN 73 HD22 ASN 73 -6.880 -3.567 9.461 573 H ALA 74 H ALA 74 -2.608 1.064 9.551 574 HA ALA 74 HA ALA 74 -0.488 -0.560 8.912 575 HB1 ALA 74 HB1 ALA 74 0.802 1.105 10.530 576 HB2 ALA 74 HB2 ALA 74 -0.743 1.955 10.498 577 HB3 ALA 74 HB3 ALA 74 0.131 1.656 8.995 578 H ASP 75 H ASP 75 -2.143 -0.271 11.977 579 HA ASP 75 HA ASP 75 -0.141 -1.748 13.455 580 HB2 ASP 75 HB2 ASP 75 -2.902 -0.723 14.093 581 HB3 ASP 75 HB3 ASP 75 -2.029 -1.778 15.203 582 H LYS 76 H LYS 76 -3.133 -2.420 11.759 583 HA LYS 76 HA LYS 76 -3.438 -5.078 12.821 584 HB2 LYS 76 HB2 LYS 76 -4.674 -3.882 10.332 585 HB3 LYS 76 HB3 LYS 76 -5.238 -5.299 11.218 586 HG2 LYS 76 HG2 LYS 76 -5.044 -2.520 12.410 587 HG3 LYS 76 HG3 LYS 76 -6.528 -3.216 11.757 588 HD2 LYS 76 HD2 LYS 76 -5.917 -5.219 13.377 589 HD3 LYS 76 HD3 LYS 76 -5.005 -3.970 14.225 590 HE2 LYS 76 HE2 LYS 76 -7.942 -3.787 13.497 591 HE3 LYS 76 HE3 LYS 76 -7.317 -4.167 15.102 592 HZ1 LYS 76 HZ1 LYS 76 -5.990 -1.894 14.333 593 HZ2 LYS 76 HZ2 LYS 76 -7.261 -1.994 15.456 594 HZ3 LYS 76 HZ3 LYS 76 -7.589 -1.637 13.827 595 H LEU 77 H LEU 77 -2.154 -3.661 9.840 596 HA LEU 77 HA LEU 77 -1.631 -6.133 8.533 597 HB2 LEU 77 HB2 LEU 77 -0.193 -3.506 8.110 598 HB3 LEU 77 HB3 LEU 77 -0.365 -4.832 6.958 599 HG LEU 77 HG LEU 77 -2.814 -3.525 8.113 600 HD11 LEU 77 HD11 LEU 77 -0.848 -2.343 6.252 601 HD12 LEU 77 HD12 LEU 77 -2.094 -1.558 7.222 602 HD13 LEU 77 HD13 LEU 77 -2.517 -2.305 5.682 603 HD21 LEU 77 HD21 LEU 77 -3.871 -4.420 6.189 604 HD22 LEU 77 HD22 LEU 77 -2.742 -5.684 6.682 605 HD23 LEU 77 HD23 LEU 77 -2.340 -4.616 5.336 606 H ALA 78 H ALA 78 0.600 -3.827 10.112 607 HA ALA 78 HA ALA 78 2.936 -5.265 9.980 608 HB1 ALA 78 HB1 ALA 78 2.507 -2.943 11.006 609 HB2 ALA 78 HB2 ALA 78 3.739 -3.949 11.767 610 HB3 ALA 78 HB3 ALA 78 2.140 -3.811 12.496 611 H ALA 79 H ALA 79 0.155 -5.833 12.019 612 HA ALA 79 HA ALA 79 1.326 -7.543 13.929 613 HB1 ALA 79 HB1 ALA 79 -1.488 -7.723 12.834 614 HB2 ALA 79 HB2 ALA 79 -0.980 -6.556 14.054 615 HB3 ALA 79 HB3 ALA 79 -0.919 -8.283 14.405 616 H ILE 80 H ILE 80 -0.495 -8.378 10.971 617 HA ILE 80 HA ILE 80 0.223 -11.150 11.119 618 HB ILE 80 HB ILE 80 -0.616 -10.042 8.507 619 HG12 ILE 80 HG12 ILE 80 -2.124 -9.586 11.066 620 HG13 ILE 80 HG13 ILE 80 -1.977 -8.535 9.657 621 HG21 ILE 80 HG21 ILE 80 -1.936 -11.995 8.454 622 HG22 ILE 80 HG22 ILE 80 -1.979 -12.121 10.213 623 HG23 ILE 80 HG23 ILE 80 -0.495 -12.499 9.339 624 HD11 ILE 80 HD11 ILE 80 -3.789 -10.877 10.094 625 HD12 ILE 80 HD12 ILE 80 -3.239 -10.536 8.453 626 HD13 ILE 80 HD13 ILE 80 -4.137 -9.315 9.354 627 H ALA 81 H ALA 81 1.717 -8.315 9.864 628 HA ALA 81 HA ALA 81 3.360 -9.635 7.906 629 HB1 ALA 81 HB1 ALA 81 2.662 -7.028 8.364 630 HB2 ALA 81 HB2 ALA 81 3.977 -7.546 7.309 631 HB3 ALA 81 HB3 ALA 81 4.317 -7.070 8.972 632 H ALA 82 H ALA 82 3.364 -9.745 11.215 633 HA ALA 82 HA ALA 82 4.973 -10.182 12.828 634 HB1 ALA 82 HB1 ALA 82 5.826 -12.223 12.391 635 HB2 ALA 82 HB2 ALA 82 6.725 -11.633 10.992 636 HB3 ALA 82 HB3 ALA 82 5.030 -12.086 10.823 637 HA PRO 83 HA PRO 83 8.601 -7.738 12.811 638 HB2 PRO 83 HB2 PRO 83 10.488 -10.007 12.996 639 HB3 PRO 83 HB3 PRO 83 10.180 -8.697 14.147 640 HG2 PRO 83 HG2 PRO 83 9.382 -11.222 14.584 641 HG3 PRO 83 HG3 PRO 83 8.484 -9.815 15.176 642 HD2 PRO 83 HD2 PRO 83 7.866 -11.612 12.870 643 HD3 PRO 83 HD3 PRO 83 6.754 -10.773 13.976 644 H ALA 84 H ALA 84 7.727 -9.021 10.205 645 HA ALA 84 HA ALA 84 10.042 -9.519 8.621 646 HB1 ALA 84 HB1 ALA 84 7.361 -8.554 7.620 647 HB2 ALA 84 HB2 ALA 84 7.656 -10.225 8.102 648 HB3 ALA 84 HB3 ALA 84 8.554 -9.525 6.757 649 H GLU 85 H GLU 85 9.616 -7.928 6.368 650 HA GLU 85 HA GLU 85 10.511 -5.292 7.361 651 HB2 GLU 85 HB2 GLU 85 11.184 -6.832 4.852 652 HB3 GLU 85 HB3 GLU 85 11.563 -5.120 5.049 653 HG2 GLU 85 HG2 GLU 85 12.399 -7.181 7.093 654 HG3 GLU 85 HG3 GLU 85 13.404 -6.797 5.695 655 H ILE 86 H ILE 86 8.642 -4.122 7.425 656 HA ILE 86 HA ILE 86 7.070 -3.975 4.925 657 HB ILE 86 HB ILE 86 6.045 -3.116 7.621 658 HG12 ILE 86 HG12 ILE 86 4.922 -5.563 7.274 659 HG13 ILE 86 HG13 ILE 86 6.518 -5.859 6.584 660 HG21 ILE 86 HG21 ILE 86 5.060 -3.040 4.991 661 HG22 ILE 86 HG22 ILE 86 4.138 -2.771 6.470 662 HG23 ILE 86 HG23 ILE 86 4.212 -4.382 5.758 663 HD11 ILE 86 HD11 ILE 86 7.266 -4.533 8.800 664 HD12 ILE 86 HD12 ILE 86 7.033 -6.281 8.784 665 HD13 ILE 86 HD13 ILE 86 5.757 -5.227 9.393 666 H PHE 87 H PHE 87 6.900 -2.066 3.916 667 HA PHE 87 HA PHE 87 8.079 0.296 5.250 668 HB2 PHE 87 HB2 PHE 87 7.851 -0.337 2.295 669 HB3 PHE 87 HB3 PHE 87 8.540 1.138 2.973 670 HD1 PHE 87 HD1 PHE 87 10.322 0.609 4.970 671 HD2 PHE 87 HD2 PHE 87 9.373 -1.985 1.679 672 HE1 PHE 87 HE1 PHE 87 12.505 -0.536 5.242 673 HE2 PHE 87 HE2 PHE 87 11.556 -3.130 1.952 674 HZ PHE 87 HZ PHE 87 13.122 -2.405 3.734 675 H LEU 88 H LEU 88 7.111 2.402 4.573 676 HA LEU 88 HA LEU 88 4.248 2.125 3.895 677 HB2 LEU 88 HB2 LEU 88 4.093 2.435 6.202 678 HB3 LEU 88 HB3 LEU 88 5.487 3.509 6.254 679 HG LEU 88 HG LEU 88 4.199 5.262 5.096 680 HD11 LEU 88 HD11 LEU 88 2.504 4.533 3.781 681 HD12 LEU 88 HD12 LEU 88 1.555 4.424 5.263 682 HD13 LEU 88 HD13 LEU 88 2.393 3.001 4.646 683 HD21 LEU 88 HD21 LEU 88 3.066 5.943 6.989 684 HD22 LEU 88 HD22 LEU 88 4.018 4.634 7.689 685 HD23 LEU 88 HD23 LEU 88 2.333 4.360 7.247 686 H LEU 89 H LEU 89 3.522 3.512 2.417 687 HA LEU 89 HA LEU 89 5.380 5.562 1.420 688 HB2 LEU 89 HB2 LEU 89 4.423 3.840 -0.144 689 HB3 LEU 89 HB3 LEU 89 2.833 4.546 0.143 690 HG LEU 89 HG LEU 89 4.961 6.478 -0.569 691 HD11 LEU 89 HD11 LEU 89 5.676 4.883 -2.151 692 HD12 LEU 89 HD12 LEU 89 4.506 5.848 -3.052 693 HD13 LEU 89 HD13 LEU 89 4.042 4.272 -2.407 694 HD21 LEU 89 HD21 LEU 89 2.544 7.039 -0.258 695 HD22 LEU 89 HD22 LEU 89 2.156 5.992 -1.622 696 HD23 LEU 89 HD23 LEU 89 3.130 7.440 -1.872 697 H GLU 90 H GLU 90 5.096 7.414 2.539 698 HA GLU 90 HA GLU 90 2.661 8.291 3.675 699 HB2 GLU 90 HB2 GLU 90 5.289 9.099 3.801 700 HB3 GLU 90 HB3 GLU 90 4.529 10.421 2.912 701 HG2 GLU 90 HG2 GLU 90 3.422 9.294 5.497 702 HG3 GLU 90 HG3 GLU 90 4.493 10.692 5.426 703 H ASP 91 H ASP 91 1.387 10.161 3.045 704 HA ASP 91 HA ASP 91 0.185 11.438 1.560 705 HB2 ASP 91 HB2 ASP 91 1.315 12.455 -0.145 706 HB3 ASP 91 HB3 ASP 91 2.704 11.788 0.708 707 H GLY 92 H GLY 92 1.571 8.457 0.243 708 HA2 GLY 92 HA2 GLY 92 0.288 6.616 -0.509 709 HA3 GLY 92 HA3 GLY 92 -1.095 7.686 -0.707 710 H ILE 93 H ILE 93 -1.315 6.652 -2.823 711 HA ILE 93 HA ILE 93 0.539 6.652 -4.877 712 HB ILE 93 HB ILE 93 -1.469 5.554 -5.359 713 HG12 ILE 93 HG12 ILE 93 -2.005 8.151 -6.793 714 HG13 ILE 93 HG13 ILE 93 -0.573 7.194 -7.176 715 HG21 ILE 93 HG21 ILE 93 -2.926 6.480 -3.712 716 HG22 ILE 93 HG22 ILE 93 -3.680 6.843 -5.264 717 HG23 ILE 93 HG23 ILE 93 -2.793 8.098 -4.399 718 HD11 ILE 93 HD11 ILE 93 -2.603 6.694 -8.611 719 HD12 ILE 93 HD12 ILE 93 -3.373 6.044 -7.163 720 HD13 ILE 93 HD13 ILE 93 -1.907 5.295 -7.795 721 H ASP 94 H ASP 94 -1.198 9.315 -3.477 722 HA ASP 94 HA ASP 94 -1.106 11.221 -5.493 723 HB2 ASP 94 HB2 ASP 94 -1.379 11.208 -2.603 724 HB3 ASP 94 HB3 ASP 94 -0.466 12.611 -3.152 725 H GLY 95 H GLY 95 1.471 9.807 -3.680 726 HA2 GLY 95 HA2 GLY 95 3.390 11.898 -4.335 727 HA3 GLY 95 HA3 GLY 95 3.719 10.413 -3.446 728 H TRP 96 H TRP 96 2.982 8.425 -5.079 729 HA TRP 96 HA TRP 96 5.054 8.006 -6.815 730 HB2 TRP 96 HB2 TRP 96 3.011 6.484 -6.073 731 HB3 TRP 96 HB3 TRP 96 2.367 6.987 -7.636 732 HD1 TRP 96 HD1 TRP 96 5.776 5.694 -6.312 733 HE1 TRP 96 HE1 TRP 96 6.717 4.026 -8.038 734 HE3 TRP 96 HE3 TRP 96 2.090 5.901 -9.840 735 HZ2 TRP 96 HZ2 TRP 96 6.002 2.928 -10.581 736 HZ3 TRP 96 HZ3 TRP 96 2.244 4.535 -11.901 737 HH2 TRP 96 HH2 TRP 96 4.193 3.050 -12.277 738 H LYS 97 H LYS 97 2.173 9.900 -7.339 739 HA LYS 97 HA LYS 97 2.484 10.127 -10.191 740 HB2 LYS 97 HB2 LYS 97 0.352 10.457 -8.688 741 HB3 LYS 97 HB3 LYS 97 0.949 12.112 -8.555 742 HG2 LYS 97 HG2 LYS 97 1.217 11.791 -11.210 743 HG3 LYS 97 HG3 LYS 97 -0.115 10.667 -10.932 744 HD2 LYS 97 HD2 LYS 97 -0.095 13.530 -9.940 745 HD3 LYS 97 HD3 LYS 97 -0.863 13.016 -11.442 746 HE2 LYS 97 HE2 LYS 97 -1.542 12.059 -8.647 747 HE3 LYS 97 HE3 LYS 97 -2.545 13.072 -9.686 748 HZ1 LYS 97 HZ1 LYS 97 -2.400 11.164 -11.330 749 HZ2 LYS 97 HZ2 LYS 97 -3.375 10.925 -9.959 750 HZ3 LYS 97 HZ3 LYS 97 -1.828 10.227 -10.038 751 H ARG 98 H ARG 98 3.010 12.345 -7.445 752 HA ARG 98 HA ARG 98 4.082 14.474 -8.946 753 HB2 ARG 98 HB2 ARG 98 4.499 13.668 -6.060 754 HB3 ARG 98 HB3 ARG 98 5.085 15.182 -6.751 755 HG2 ARG 98 HG2 ARG 98 2.281 14.697 -7.398 756 HG3 ARG 98 HG3 ARG 98 2.558 14.757 -5.658 757 HD2 ARG 98 HD2 ARG 98 3.351 16.949 -5.724 758 HD3 ARG 98 HD3 ARG 98 3.814 16.838 -7.419 759 HE ARG 98 HE ARG 98 1.094 16.579 -7.476 760 HH11 ARG 98 HH21 ARG 98 3.324 18.835 -6.086 761 HH12 ARG 98 HH22 ARG 98 2.253 20.190 -6.227 762 HH21 ARG 98 HH11 ARG 98 -0.314 18.349 -7.661 763 HH22 ARG 98 HH12 ARG 98 0.193 19.915 -7.119 764 H ALA 99 H ALA 99 5.650 11.753 -7.288 765 HA ALA 99 HA ALA 99 8.291 12.300 -7.466 766 HB1 ALA 99 HB1 ALA 99 7.512 10.165 -6.629 767 HB2 ALA 99 HB2 ALA 99 8.664 9.873 -7.933 768 HB3 ALA 99 HB3 ALA 99 6.934 9.705 -8.230 769 H GLY 100 H GLY 100 6.144 11.561 -10.146 770 HA2 GLY 100 HA2 GLY 100 6.783 12.735 -12.262 771 HA3 GLY 100 HA3 GLY 100 8.384 12.041 -12.023 772 H LEU 101 H LEU 101 5.515 10.224 -11.239 773 HA LEU 101 HA LEU 101 5.938 8.568 -13.651 774 HB2 LEU 101 HB2 LEU 101 4.916 7.391 -11.090 775 HB3 LEU 101 HB3 LEU 101 5.758 6.600 -12.421 776 HG LEU 101 HG LEU 101 7.069 8.663 -10.633 777 HD11 LEU 101 HD11 LEU 101 8.147 6.732 -9.513 778 HD12 LEU 101 HD12 LEU 101 7.134 5.636 -10.453 779 HD13 LEU 101 HD13 LEU 101 6.399 6.727 -9.278 780 HD21 LEU 101 HD21 LEU 101 7.799 7.539 -13.094 781 HD22 LEU 101 HD22 LEU 101 8.735 6.640 -11.902 782 HD23 LEU 101 HD23 LEU 101 8.863 8.397 -11.981 783 HA PRO 102 HA PRO 102 1.625 9.411 -14.294 784 HB2 PRO 102 HB2 PRO 102 1.133 7.565 -16.244 785 HB3 PRO 102 HB3 PRO 102 2.021 9.072 -16.533 786 HG2 PRO 102 HG2 PRO 102 3.051 6.310 -16.163 787 HG3 PRO 102 HG3 PRO 102 3.621 7.596 -17.239 788 HD2 PRO 102 HD2 PRO 102 4.841 6.949 -14.852 789 HD3 PRO 102 HD3 PRO 102 4.940 8.553 -15.611 790 H VAL 103 H VAL 103 -0.501 8.130 -14.472 791 HA VAL 103 HA VAL 103 -0.457 5.928 -12.516 792 HB VAL 103 HB VAL 103 -2.771 6.608 -12.021 793 HG11 VAL 103 HG11 VAL 103 -1.228 7.578 -10.542 794 HG12 VAL 103 HG12 VAL 103 -2.120 8.974 -11.147 795 HG13 VAL 103 HG13 VAL 103 -0.527 8.594 -11.802 796 HG21 VAL 103 HG21 VAL 103 -2.934 9.182 -13.081 797 HG22 VAL 103 HG22 VAL 103 -3.851 7.776 -13.623 798 HG23 VAL 103 HG23 VAL 103 -2.336 8.200 -14.418 799 H ALA 104 H ALA 104 -2.477 4.480 -12.767 800 HA ALA 104 HA ALA 104 -3.192 4.081 -15.590 801 HB1 ALA 104 HB1 ALA 104 -1.252 2.527 -14.296 802 HB2 ALA 104 HB2 ALA 104 -2.066 2.156 -15.815 803 HB3 ALA 104 HB3 ALA 104 -2.711 1.539 -14.294 804 H VAL 105 H VAL 105 -5.259 3.462 -15.872 805 HA VAL 105 HA VAL 105 -6.891 3.088 -13.459 806 HB VAL 105 HB VAL 105 -7.809 3.506 -16.310 807 HG11 VAL 105 HG11 VAL 105 -9.775 2.948 -15.322 808 HG12 VAL 105 HG12 VAL 105 -9.682 4.543 -14.575 809 HG13 VAL 105 HG13 VAL 105 -9.109 3.126 -13.697 810 HG21 VAL 105 HG21 VAL 105 -6.630 5.345 -14.367 811 HG22 VAL 105 HG22 VAL 105 -8.252 5.840 -14.851 812 HG23 VAL 105 HG23 VAL 105 -7.001 5.606 -16.071 813 H ASN 106 H ASN 106 -8.562 1.437 -13.444 814 HA ASN 106 HA ASN 106 -7.559 -1.075 -14.505 815 HB2 ASN 106 HB2 ASN 106 -9.329 -0.233 -12.351 816 HB3 ASN 106 HB3 ASN 106 -10.001 -1.578 -13.271 817 HD21 ASN 106 HD21 ASN 106 -8.114 -0.985 -10.616 818 HD22 ASN 106 HD22 ASN 106 -7.159 -2.388 -10.629 819 H LYS 107 H LYS 107 -8.010 -1.511 -16.571 820 HA LYS 107 HA LYS 107 -10.710 -0.869 -17.585 821 HB2 LYS 107 HB2 LYS 107 -8.479 0.023 -18.683 822 HB3 LYS 107 HB3 LYS 107 -8.444 -1.589 -19.400 823 HG2 LYS 107 HG2 LYS 107 -9.681 -0.384 -20.979 824 HG3 LYS 107 HG3 LYS 107 -10.951 -1.097 -19.984 825 HD2 LYS 107 HD2 LYS 107 -10.480 1.191 -18.597 826 HD3 LYS 107 HD3 LYS 107 -10.113 1.734 -20.234 827 HE2 LYS 107 HE2 LYS 107 -12.496 2.077 -19.735 828 HE3 LYS 107 HE3 LYS 107 -12.301 0.869 -21.003 829 HZ1 LYS 107 HZ1 LYS 107 -12.292 -0.179 -18.310 830 HZ2 LYS 107 HZ2 LYS 107 -13.084 -0.753 -19.698 831 HZ3 LYS 107 HZ3 LYS 107 -13.764 0.512 -18.789 Start of MODEL 4 1 H MET 1 H1 MET 1 6.647 -5.526 14.726 2 HA MET 1 HA MET 1 5.016 -3.157 14.331 3 HB2 MET 1 HB2 MET 1 6.452 -4.529 16.611 4 HB3 MET 1 HB3 MET 1 5.661 -2.965 16.806 5 HG2 MET 1 HG2 MET 1 3.520 -3.882 16.204 6 HG3 MET 1 HG3 MET 1 4.252 -5.405 15.698 7 HE1 MET 1 HE1 MET 1 3.549 -3.020 18.810 8 HE2 MET 1 HE2 MET 1 2.625 -4.259 19.656 9 HE3 MET 1 HE3 MET 1 2.205 -3.838 17.998 10 H ALA 2 H ALA 2 7.690 -3.503 12.958 11 HA ALA 2 HA ALA 2 8.997 -1.097 14.082 12 HB1 ALA 2 HB1 ALA 2 10.164 -3.639 12.995 13 HB2 ALA 2 HB2 ALA 2 10.590 -2.753 14.459 14 HB3 ALA 2 HB3 ALA 2 11.074 -2.132 12.881 15 H LEU 3 H LEU 3 6.986 -1.855 11.782 16 HA LEU 3 HA LEU 3 7.891 -1.448 9.272 17 HB2 LEU 3 HB2 LEU 3 5.812 0.008 8.923 18 HB3 LEU 3 HB3 LEU 3 5.548 -1.613 9.566 19 HG LEU 3 HG LEU 3 6.052 0.444 11.620 20 HD11 LEU 3 HD11 LEU 3 4.709 1.949 10.484 21 HD12 LEU 3 HD12 LEU 3 3.469 1.018 11.324 22 HD13 LEU 3 HD13 LEU 3 3.830 0.680 9.631 23 HD21 LEU 3 HD21 LEU 3 3.617 -1.288 11.477 24 HD22 LEU 3 HD22 LEU 3 4.633 -0.895 12.864 25 HD23 LEU 3 HD23 LEU 3 5.178 -2.083 11.680 26 H THR 4 H THR 4 8.632 0.216 7.994 27 HA THR 4 HA THR 4 9.283 2.745 9.386 28 HB THR 4 HB THR 4 10.936 1.084 7.491 29 HG1 THR 4 HG1 THR 4 11.885 0.705 9.304 30 HG21 THR 4 HG21 THR 4 12.522 3.111 7.615 31 HG22 THR 4 HG22 THR 4 11.100 4.034 8.104 32 HG23 THR 4 HG23 THR 4 11.137 3.239 6.530 33 H THR 5 H THR 5 9.132 4.652 8.189 34 HA THR 5 HA THR 5 7.208 4.587 6.037 35 HB THR 5 HB THR 5 7.702 7.125 6.069 36 HG1 THR 5 HG1 THR 5 8.799 7.817 7.879 37 HG21 THR 5 HG21 THR 5 6.781 6.050 8.726 38 HG22 THR 5 HG22 THR 5 5.830 5.768 7.268 39 HG23 THR 5 HG23 THR 5 6.150 7.416 7.807 40 H ILE 6 H ILE 6 7.530 5.372 3.921 41 HA ILE 6 HA ILE 6 10.323 5.663 3.049 42 HB ILE 6 HB ILE 6 8.788 3.341 2.594 43 HG12 ILE 6 HG12 ILE 6 11.234 4.304 1.096 44 HG13 ILE 6 HG13 ILE 6 11.275 3.637 2.727 45 HG21 ILE 6 HG21 ILE 6 8.502 3.251 0.196 46 HG22 ILE 6 HG22 ILE 6 9.196 4.861 0.008 47 HG23 ILE 6 HG23 ILE 6 7.630 4.663 0.793 48 HD11 ILE 6 HD11 ILE 6 10.495 1.506 1.980 49 HD12 ILE 6 HD12 ILE 6 11.749 1.983 0.837 50 HD13 ILE 6 HD13 ILE 6 10.049 2.147 0.400 51 H SER 7 H SER 7 10.443 6.476 0.786 52 HA SER 7 HA SER 7 8.265 8.416 0.322 53 HB2 SER 7 HB2 SER 7 10.762 8.893 -1.119 54 HB3 SER 7 HB3 SER 7 9.825 9.988 -0.107 55 HG SER 7 HG SER 7 11.823 8.134 0.608 56 HA PRO 8 HA PRO 8 6.927 6.326 -3.320 57 HB2 PRO 8 HB2 PRO 8 7.269 9.006 -4.609 58 HB3 PRO 8 HB3 PRO 8 5.884 7.901 -4.653 59 HG2 PRO 8 HG2 PRO 8 5.945 10.097 -3.097 60 HG3 PRO 8 HG3 PRO 8 5.061 8.626 -2.662 61 HD2 PRO 8 HD2 PRO 8 7.499 9.742 -1.448 62 HD3 PRO 8 HD3 PRO 8 6.384 8.517 -0.807 63 H HIS 9 H HIS 9 9.835 8.140 -3.087 64 HA HIS 9 HA HIS 9 10.940 7.499 -5.653 65 HB2 HIS 9 HB2 HIS 9 12.091 8.574 -3.082 66 HB3 HIS 9 HB3 HIS 9 13.113 8.190 -4.467 67 HD1 HIS 9 HD1 HIS 9 11.798 11.055 -3.099 68 HD2 HIS 9 HD2 HIS 9 11.445 9.438 -6.926 69 HE1 HIS 9 HE1 HIS 9 11.157 12.968 -4.629 70 H ASP 10 H ASP 10 10.917 5.952 -2.490 71 HA ASP 10 HA ASP 10 13.013 4.081 -3.168 72 HB2 ASP 10 HB2 ASP 10 12.102 4.974 -0.810 73 HB3 ASP 10 HB3 ASP 10 11.129 3.510 -0.944 74 H ALA 11 H ALA 11 9.494 3.822 -2.608 75 HA ALA 11 HA ALA 11 9.065 1.175 -3.112 76 HB1 ALA 11 HB1 ALA 11 7.038 2.099 -2.722 77 HB2 ALA 11 HB2 ALA 11 6.966 2.280 -4.475 78 HB3 ALA 11 HB3 ALA 11 7.487 3.632 -3.470 79 H GLN 12 H GLN 12 9.875 3.666 -5.453 80 HA GLN 12 HA GLN 12 9.278 2.143 -7.788 81 HB2 GLN 12 HB2 GLN 12 9.671 4.692 -7.563 82 HB3 GLN 12 HB3 GLN 12 11.385 4.289 -7.675 83 HG2 GLN 12 HG2 GLN 12 10.337 2.803 -9.728 84 HG3 GLN 12 HG3 GLN 12 9.302 4.228 -9.760 85 HE21 GLN 12 HE21 GLN 12 10.332 4.938 -11.795 86 HE22 GLN 12 HE22 GLN 12 11.889 5.612 -11.778 87 H GLU 13 H GLU 13 12.258 2.689 -5.927 88 HA GLU 13 HA GLU 13 13.948 1.180 -7.638 89 HB2 GLU 13 HB2 GLU 13 14.214 1.871 -4.703 90 HB3 GLU 13 HB3 GLU 13 15.493 1.152 -5.682 91 HG2 GLU 13 HG2 GLU 13 14.689 3.272 -7.244 92 HG3 GLU 13 HG3 GLU 13 14.523 3.925 -5.614 93 H LEU 14 H LEU 14 12.106 0.350 -4.720 94 HA LEU 14 HA LEU 14 13.063 -2.299 -4.463 95 HB2 LEU 14 HB2 LEU 14 10.301 -1.374 -3.675 96 HB3 LEU 14 HB3 LEU 14 11.277 -2.645 -2.939 97 HG LEU 14 HG LEU 14 11.945 0.309 -2.933 98 HD11 LEU 14 HD11 LEU 14 10.291 0.150 -1.326 99 HD12 LEU 14 HD12 LEU 14 11.690 -0.312 -0.357 100 HD13 LEU 14 HD13 LEU 14 10.620 -1.554 -1.010 101 HD21 LEU 14 HD21 LEU 14 13.358 -2.158 -1.916 102 HD22 LEU 14 HD22 LEU 14 13.659 -0.572 -1.206 103 HD23 LEU 14 HD23 LEU 14 14.009 -0.856 -2.911 104 H ILE 15 H ILE 15 10.270 -0.926 -6.178 105 HA ILE 15 HA ILE 15 8.970 -3.219 -6.991 106 HB ILE 15 HB ILE 15 9.448 -0.591 -8.383 107 HG12 ILE 15 HG12 ILE 15 6.827 -1.810 -7.530 108 HG13 ILE 15 HG13 ILE 15 7.867 -1.020 -6.344 109 HG21 ILE 15 HG21 ILE 15 8.280 -3.118 -9.461 110 HG22 ILE 15 HG22 ILE 15 9.125 -1.820 -10.306 111 HG23 ILE 15 HG23 ILE 15 7.438 -1.613 -9.834 112 HD11 ILE 15 HD11 ILE 15 7.342 1.041 -7.110 113 HD12 ILE 15 HD12 ILE 15 6.022 0.257 -7.979 114 HD13 ILE 15 HD13 ILE 15 7.560 0.554 -8.791 115 H ALA 16 H ALA 16 12.073 -2.017 -7.889 116 HA ALA 16 HA ALA 16 12.362 -3.645 -10.262 117 HB1 ALA 16 HB1 ALA 16 13.586 -1.466 -9.850 118 HB2 ALA 16 HB2 ALA 16 14.611 -2.814 -10.343 119 HB3 ALA 16 HB3 ALA 16 14.553 -2.323 -8.650 120 H ARG 17 H ARG 17 12.966 -3.932 -6.849 121 HA ARG 17 HA ARG 17 14.616 -6.310 -7.119 122 HB2 ARG 17 HB2 ARG 17 13.970 -4.418 -5.030 123 HB3 ARG 17 HB3 ARG 17 13.725 -6.068 -4.458 124 HG2 ARG 17 HG2 ARG 17 16.014 -6.622 -5.403 125 HG3 ARG 17 HG3 ARG 17 16.243 -4.893 -5.660 126 HD2 ARG 17 HD2 ARG 17 17.222 -5.525 -3.515 127 HD3 ARG 17 HD3 ARG 17 15.814 -4.505 -3.240 128 HE ARG 17 HE ARG 17 14.779 -7.018 -3.126 129 HH11 ARG 17 HH21 ARG 17 17.480 -5.437 -1.653 130 HH12 ARG 17 HH22 ARG 17 17.421 -6.385 -0.203 131 HH21 ARG 17 HH11 ARG 17 14.691 -8.262 -1.229 132 HH22 ARG 17 HH12 ARG 17 15.841 -7.985 0.036 133 H GLY 18 H GLY 18 11.277 -5.461 -6.519 134 HA2 GLY 18 HA2 GLY 18 9.648 -7.181 -7.255 135 HA3 GLY 18 HA3 GLY 18 10.617 -8.342 -6.357 136 H ALA 19 H ALA 19 10.136 -5.162 -5.033 137 HA ALA 19 HA ALA 19 9.155 -6.039 -2.578 138 HB1 ALA 19 HB1 ALA 19 8.056 -3.494 -2.938 139 HB2 ALA 19 HB2 ALA 19 9.515 -3.496 -3.929 140 HB3 ALA 19 HB3 ALA 19 9.617 -3.873 -2.209 141 H LYS 20 H LYS 20 7.044 -5.937 -1.638 142 HA LYS 20 HA LYS 20 4.912 -6.447 -3.607 143 HB2 LYS 20 HB2 LYS 20 5.469 -7.419 -0.832 144 HB3 LYS 20 HB3 LYS 20 3.796 -7.324 -1.367 145 HG2 LYS 20 HG2 LYS 20 4.764 -8.573 -3.509 146 HG3 LYS 20 HG3 LYS 20 6.013 -9.074 -2.362 147 HD2 LYS 20 HD2 LYS 20 4.269 -10.744 -2.320 148 HD3 LYS 20 HD3 LYS 20 4.167 -9.827 -0.817 149 HE2 LYS 20 HE2 LYS 20 2.046 -9.254 -1.298 150 HE3 LYS 20 HE3 LYS 20 2.586 -8.479 -2.787 151 HZ1 LYS 20 HZ1 LYS 20 2.066 -11.388 -2.511 152 HZ2 LYS 20 HZ2 LYS 20 2.425 -10.547 -3.943 153 HZ3 LYS 20 HZ3 LYS 20 0.952 -10.275 -3.141 154 H LEU 21 H LEU 21 4.102 -4.429 -4.038 155 HA LEU 21 HA LEU 21 3.365 -2.682 -1.795 156 HB2 LEU 21 HB2 LEU 21 3.657 -2.315 -4.757 157 HB3 LEU 21 HB3 LEU 21 2.629 -1.208 -3.847 158 HG LEU 21 HG LEU 21 5.183 -1.690 -2.513 159 HD11 LEU 21 HD11 LEU 21 6.492 -0.316 -4.162 160 HD12 LEU 21 HD12 LEU 21 5.161 -0.505 -5.304 161 HD13 LEU 21 HD13 LEU 21 6.064 -1.919 -4.762 162 HD21 LEU 21 HD21 LEU 21 5.146 0.749 -2.363 163 HD22 LEU 21 HD22 LEU 21 3.534 0.126 -2.010 164 HD23 LEU 21 HD23 LEU 21 3.881 0.833 -3.588 165 H ILE 22 H ILE 22 1.304 -2.450 -1.109 166 HA ILE 22 HA ILE 22 -0.862 -3.505 -2.816 167 HB ILE 22 HB ILE 22 -0.821 -3.957 0.156 168 HG12 ILE 22 HG12 ILE 22 0.070 -5.953 -1.944 169 HG13 ILE 22 HG13 ILE 22 1.199 -5.003 -0.977 170 HG21 ILE 22 HG21 ILE 22 -2.129 -5.724 -1.872 171 HG22 ILE 22 HG22 ILE 22 -2.858 -4.150 -1.553 172 HG23 ILE 22 HG23 ILE 22 -2.654 -5.310 -0.240 173 HD11 ILE 22 HD11 ILE 22 0.774 -6.190 0.929 174 HD12 ILE 22 HD12 ILE 22 0.261 -7.435 -0.210 175 HD13 ILE 22 HD13 ILE 22 -0.936 -6.381 0.545 176 H ASP 23 H ASP 23 -2.762 -2.411 -2.736 177 HA ASP 23 HA ASP 23 -2.847 -0.031 -0.991 178 HB2 ASP 23 HB2 ASP 23 -2.861 0.612 -3.307 179 HB3 ASP 23 HB3 ASP 23 -4.124 -0.555 -3.679 180 H ILE 24 H ILE 24 -4.703 0.376 0.162 181 HA ILE 24 HA ILE 24 -6.614 -1.870 0.290 182 HB ILE 24 HB ILE 24 -7.013 -0.661 2.643 183 HG12 ILE 24 HG12 ILE 24 -4.043 -0.343 2.432 184 HG13 ILE 24 HG13 ILE 24 -5.051 0.959 1.806 185 HG21 ILE 24 HG21 ILE 24 -6.455 -2.908 2.778 186 HG22 ILE 24 HG22 ILE 24 -4.970 -2.198 3.404 187 HG23 ILE 24 HG23 ILE 24 -5.056 -2.729 1.724 188 HD11 ILE 24 HD11 ILE 24 -4.604 1.476 4.111 189 HD12 ILE 24 HD12 ILE 24 -5.035 -0.158 4.618 190 HD13 ILE 24 HD13 ILE 24 -6.282 0.938 4.023 191 H ARG 25 H ARG 25 -6.663 1.477 1.422 192 HA ARG 25 HA ARG 25 -8.628 2.822 1.524 193 HB2 ARG 25 HB2 ARG 25 -8.610 4.120 -0.540 194 HB3 ARG 25 HB3 ARG 25 -6.959 3.718 -0.073 195 HG2 ARG 25 HG2 ARG 25 -7.088 1.730 -1.623 196 HG3 ARG 25 HG3 ARG 25 -8.633 2.354 -2.198 197 HD2 ARG 25 HD2 ARG 25 -5.930 3.701 -2.382 198 HD3 ARG 25 HD3 ARG 25 -6.935 3.138 -3.714 199 HE ARG 25 HE ARG 25 -8.182 5.137 -2.014 200 HH11 ARG 25 HH21 ARG 25 -6.237 4.450 -4.791 201 HH12 ARG 25 HH22 ARG 25 -6.587 5.951 -5.580 202 HH21 ARG 25 HH11 ARG 25 -8.647 7.109 -3.043 203 HH22 ARG 25 HH12 ARG 25 -7.951 7.456 -4.590 204 H ASP 26 H ASP 26 -10.033 3.254 -1.118 205 HA ASP 26 HA ASP 26 -11.927 0.991 -0.898 206 HB2 ASP 26 HB2 ASP 26 -12.942 3.484 -2.072 207 HB3 ASP 26 HB3 ASP 26 -13.657 2.445 -0.839 208 H ALA 27 H ALA 27 -11.609 -0.316 -2.600 209 HA ALA 27 HA ALA 27 -10.295 0.054 -4.921 210 HB1 ALA 27 HB1 ALA 27 -11.088 -2.005 -5.282 211 HB2 ALA 27 HB2 ALA 27 -12.671 -1.329 -5.667 212 HB3 ALA 27 HB3 ALA 27 -12.284 -1.774 -4.005 213 H ASP 28 H ASP 28 -13.646 1.066 -4.320 214 HA ASP 28 HA ASP 28 -14.488 1.879 -6.783 215 HB2 ASP 28 HB2 ASP 28 -14.821 3.162 -4.080 216 HB3 ASP 28 HB3 ASP 28 -15.554 3.867 -5.519 217 H GLU 29 H GLU 29 -12.168 3.509 -4.685 218 HA GLU 29 HA GLU 29 -11.826 5.714 -6.555 219 HB2 GLU 29 HB2 GLU 29 -10.355 5.033 -3.997 220 HB3 GLU 29 HB3 GLU 29 -10.181 6.530 -4.912 221 HG2 GLU 29 HG2 GLU 29 -12.772 6.700 -4.654 222 HG3 GLU 29 HG3 GLU 29 -12.549 5.544 -3.343 223 H TYR 30 H TYR 30 -10.415 2.647 -5.845 224 HA TYR 30 HA TYR 30 -7.883 3.213 -7.131 225 HB2 TYR 30 HB2 TYR 30 -8.456 1.474 -5.233 226 HB3 TYR 30 HB3 TYR 30 -8.855 0.434 -6.600 227 HD1 TYR 30 HD1 TYR 30 -6.181 2.950 -5.778 228 HD2 TYR 30 HD2 TYR 30 -7.131 -0.960 -7.285 229 HE1 TYR 30 HE1 TYR 30 -3.769 2.508 -6.152 230 HE2 TYR 30 HE2 TYR 30 -4.719 -1.403 -7.656 231 HH TYR 30 HH TYR 30 -2.669 -0.380 -7.832 232 H LEU 31 H LEU 31 -10.990 1.872 -7.988 233 HA LEU 31 HA LEU 31 -10.300 0.489 -10.331 234 HB2 LEU 31 HB2 LEU 31 -12.558 0.582 -9.082 235 HB3 LEU 31 HB3 LEU 31 -12.866 2.035 -10.032 236 HG LEU 31 HG LEU 31 -11.921 0.267 -11.933 237 HD11 LEU 31 HD11 LEU 31 -13.716 -1.226 -9.994 238 HD12 LEU 31 HD12 LEU 31 -12.020 -1.589 -10.313 239 HD13 LEU 31 HD13 LEU 31 -13.223 -1.808 -11.585 240 HD21 LEU 31 HD21 LEU 31 -14.754 0.884 -11.043 241 HD22 LEU 31 HD22 LEU 31 -14.354 0.102 -12.572 242 HD23 LEU 31 HD23 LEU 31 -13.812 1.751 -12.256 243 H ARG 32 H ARG 32 -11.163 3.897 -9.816 244 HA ARG 32 HA ARG 32 -10.929 4.586 -12.597 245 HB2 ARG 32 HB2 ARG 32 -11.034 6.275 -10.088 246 HB3 ARG 32 HB3 ARG 32 -11.017 6.938 -11.722 247 HG2 ARG 32 HG2 ARG 32 -13.035 5.386 -12.166 248 HG3 ARG 32 HG3 ARG 32 -13.140 5.244 -10.411 249 HD2 ARG 32 HD2 ARG 32 -14.536 7.067 -10.804 250 HD3 ARG 32 HD3 ARG 32 -13.004 7.866 -10.471 251 HE ARG 32 HE ARG 32 -13.022 8.631 -12.653 252 HH11 ARG 32 HH21 ARG 32 -15.056 5.852 -12.316 253 HH12 ARG 32 HH22 ARG 32 -15.649 5.918 -13.942 254 HH21 ARG 32 HH11 ARG 32 -13.795 8.726 -14.785 255 HH22 ARG 32 HH12 ARG 32 -14.935 7.547 -15.342 256 H GLU 33 H GLU 33 -8.729 3.989 -10.097 257 HA GLU 33 HA GLU 33 -6.489 4.773 -11.761 258 HB2 GLU 33 HB2 GLU 33 -7.399 6.717 -10.075 259 HB3 GLU 33 HB3 GLU 33 -6.228 5.893 -9.045 260 HG2 GLU 33 HG2 GLU 33 -4.472 6.205 -10.665 261 HG3 GLU 33 HG3 GLU 33 -5.614 6.804 -11.866 262 H HIS 34 H HIS 34 -5.077 3.146 -11.598 263 HA HIS 34 HA HIS 34 -4.571 1.937 -8.974 264 HB2 HIS 34 HB2 HIS 34 -4.957 -0.295 -9.692 265 HB3 HIS 34 HB3 HIS 34 -6.373 0.617 -10.214 266 HD1 HIS 34 HD1 HIS 34 -6.551 1.189 -12.774 267 HD2 HIS 34 HD2 HIS 34 -3.350 -1.295 -11.790 268 HE1 HIS 34 HE1 HIS 34 -5.698 0.223 -14.954 269 H ILE 35 H ILE 35 -2.524 1.002 -8.778 270 HA ILE 35 HA ILE 35 -0.615 1.884 -10.799 271 HB ILE 35 HB ILE 35 0.052 0.499 -8.209 272 HG12 ILE 35 HG12 ILE 35 -0.460 3.460 -8.655 273 HG13 ILE 35 HG13 ILE 35 -1.517 2.374 -7.752 274 HG21 ILE 35 HG21 ILE 35 2.094 1.894 -8.432 275 HG22 ILE 35 HG22 ILE 35 1.469 2.546 -9.946 276 HG23 ILE 35 HG23 ILE 35 1.875 0.834 -9.823 277 HD11 ILE 35 HD11 ILE 35 0.731 1.829 -6.444 278 HD12 ILE 35 HD12 ILE 35 -0.252 3.228 -6.014 279 HD13 ILE 35 HD13 ILE 35 1.181 3.434 -7.020 280 HA PRO 36 HA PRO 36 -0.447 -2.278 -12.412 281 HB2 PRO 36 HB2 PRO 36 1.540 -1.914 -14.222 282 HB3 PRO 36 HB3 PRO 36 -0.100 -1.285 -14.450 283 HG2 PRO 36 HG2 PRO 36 2.360 0.138 -13.589 284 HG3 PRO 36 HG3 PRO 36 1.052 0.687 -14.649 285 HD2 PRO 36 HD2 PRO 36 1.292 1.391 -11.981 286 HD3 PRO 36 HD3 PRO 36 -0.235 1.409 -12.891 287 H GLU 37 H GLU 37 1.227 -1.359 -10.043 288 HA GLU 37 HA GLU 37 3.107 -3.603 -10.125 289 HB2 GLU 37 HB2 GLU 37 3.875 -0.723 -9.710 290 HB3 GLU 37 HB3 GLU 37 4.837 -2.036 -9.028 291 HG2 GLU 37 HG2 GLU 37 4.062 -1.929 -11.949 292 HG3 GLU 37 HG3 GLU 37 5.557 -1.226 -11.335 293 H ALA 38 H ALA 38 0.609 -3.196 -8.757 294 HA ALA 38 HA ALA 38 1.470 -3.853 -6.087 295 HB1 ALA 38 HB1 ALA 38 -0.132 -1.319 -6.501 296 HB2 ALA 38 HB2 ALA 38 1.542 -1.399 -5.953 297 HB3 ALA 38 HB3 ALA 38 0.252 -2.052 -4.944 298 H ASP 39 H ASP 39 -0.132 -4.882 -4.884 299 HA ASP 39 HA ASP 39 -2.382 -5.860 -6.447 300 HB2 ASP 39 HB2 ASP 39 -1.126 -6.569 -3.823 301 HB3 ASP 39 HB3 ASP 39 -2.775 -7.095 -4.156 302 H LEU 40 H LEU 40 -4.577 -5.903 -5.527 303 HA LEU 40 HA LEU 40 -5.150 -3.431 -4.003 304 HB2 LEU 40 HB2 LEU 40 -5.978 -3.359 -6.316 305 HB3 LEU 40 HB3 LEU 40 -6.876 -4.852 -6.045 306 HG LEU 40 HG LEU 40 -8.118 -3.714 -4.196 307 HD11 LEU 40 HD11 LEU 40 -6.912 -1.926 -3.403 308 HD12 LEU 40 HD12 LEU 40 -7.892 -1.059 -4.584 309 HD13 LEU 40 HD13 LEU 40 -6.244 -1.539 -4.988 310 HD21 LEU 40 HD21 LEU 40 -8.273 -3.142 -7.056 311 HD22 LEU 40 HD22 LEU 40 -8.965 -1.841 -6.087 312 HD23 LEU 40 HD23 LEU 40 -9.572 -3.488 -5.915 313 H ALA 41 H ALA 41 -5.940 -3.746 -2.018 314 HA ALA 41 HA ALA 41 -7.910 -5.796 -1.497 315 HB1 ALA 41 HB1 ALA 41 -6.280 -7.340 -1.063 316 HB2 ALA 41 HB2 ALA 41 -6.315 -6.547 0.512 317 HB3 ALA 41 HB3 ALA 41 -5.075 -6.115 -0.666 318 HA PRO 42 HA PRO 42 -8.742 -1.951 0.877 319 HB2 PRO 42 HB2 PRO 42 -11.137 -3.647 1.455 320 HB3 PRO 42 HB3 PRO 42 -11.050 -1.936 0.998 321 HG2 PRO 42 HG2 PRO 42 -11.773 -3.828 -0.745 322 HG3 PRO 42 HG3 PRO 42 -10.847 -2.400 -1.233 323 HD2 PRO 42 HD2 PRO 42 -9.948 -5.218 -0.977 324 HD3 PRO 42 HD3 PRO 42 -9.300 -3.916 -1.996 325 H LEU 43 H LEU 43 -8.637 -1.519 3.081 326 HA LEU 43 HA LEU 43 -7.446 -3.528 4.719 327 HB2 LEU 43 HB2 LEU 43 -7.132 -1.843 6.319 328 HB3 LEU 43 HB3 LEU 43 -7.072 -0.974 4.789 329 HG LEU 43 HG LEU 43 -9.764 -0.944 5.348 330 HD11 LEU 43 HD11 LEU 43 -8.452 -0.249 7.960 331 HD12 LEU 43 HD12 LEU 43 -8.938 -1.914 7.646 332 HD13 LEU 43 HD13 LEU 43 -10.143 -0.627 7.631 333 HD21 LEU 43 HD21 LEU 43 -8.450 0.967 4.580 334 HD22 LEU 43 HD22 LEU 43 -7.620 1.054 6.134 335 HD23 LEU 43 HD23 LEU 43 -9.342 1.420 6.033 336 H SER 44 H SER 44 -10.702 -2.433 4.241 337 HA SER 44 HA SER 44 -11.722 -3.387 6.755 338 HB2 SER 44 HB2 SER 44 -13.858 -2.772 5.933 339 HB3 SER 44 HB3 SER 44 -12.746 -1.571 5.282 340 HG SER 44 HG SER 44 -14.269 -2.556 3.756 341 H VAL 45 H VAL 45 -11.422 -4.672 3.489 342 HA VAL 45 HA VAL 45 -12.943 -7.058 4.147 343 HB VAL 45 HB VAL 45 -12.677 -7.677 1.885 344 HG11 VAL 45 HG11 VAL 45 -12.898 -4.695 2.253 345 HG12 VAL 45 HG12 VAL 45 -14.178 -5.862 1.924 346 HG13 VAL 45 HG13 VAL 45 -13.033 -5.428 0.656 347 HG21 VAL 45 HG21 VAL 45 -11.015 -6.569 0.395 348 HG22 VAL 45 HG22 VAL 45 -10.245 -7.432 1.726 349 HG23 VAL 45 HG23 VAL 45 -10.400 -5.678 1.785 350 H LEU 46 H LEU 46 -9.606 -6.053 3.929 351 HA LEU 46 HA LEU 46 -8.415 -8.623 3.861 352 HB2 LEU 46 HB2 LEU 46 -7.257 -6.472 3.313 353 HB3 LEU 46 HB3 LEU 46 -7.260 -6.087 5.034 354 HG LEU 46 HG LEU 46 -6.236 -8.777 4.342 355 HD11 LEU 46 HD11 LEU 46 -3.965 -7.679 3.818 356 HD12 LEU 46 HD12 LEU 46 -4.887 -6.216 3.475 357 HD13 LEU 46 HD13 LEU 46 -5.168 -7.677 2.529 358 HD21 LEU 46 HD21 LEU 46 -4.830 -8.375 6.192 359 HD22 LEU 46 HD22 LEU 46 -6.307 -7.513 6.620 360 HD23 LEU 46 HD23 LEU 46 -4.918 -6.625 5.995 361 H GLU 47 H GLU 47 -9.360 -6.481 6.521 362 HA GLU 47 HA GLU 47 -8.206 -8.001 8.609 363 HB2 GLU 47 HB2 GLU 47 -9.086 -5.608 8.719 364 HB3 GLU 47 HB3 GLU 47 -10.696 -6.316 8.869 365 HG2 GLU 47 HG2 GLU 47 -8.991 -7.702 10.680 366 HG3 GLU 47 HG3 GLU 47 -8.701 -5.978 10.904 367 H GLN 48 H GLN 48 -11.544 -7.926 7.351 368 HA GLN 48 HA GLN 48 -12.478 -10.000 9.067 369 HB2 GLN 48 HB2 GLN 48 -13.639 -9.118 6.416 370 HB3 GLN 48 HB3 GLN 48 -14.481 -9.970 7.711 371 HG2 GLN 48 HG2 GLN 48 -13.144 -7.336 8.274 372 HG3 GLN 48 HG3 GLN 48 -14.738 -7.370 7.520 373 HE21 GLN 48 HE21 GLN 48 -15.906 -6.593 9.375 374 HE22 GLN 48 HE22 GLN 48 -16.039 -7.497 10.807 375 H SER 49 H SER 49 -11.068 -9.937 5.845 376 HA SER 49 HA SER 49 -11.677 -12.660 5.212 377 HB2 SER 49 HB2 SER 49 -11.266 -11.197 3.379 378 HB3 SER 49 HB3 SER 49 -9.740 -10.650 4.066 379 HG SER 49 HG SER 49 -8.805 -12.508 3.502 380 H GLY 50 H GLY 50 -8.418 -11.311 5.397 381 HA2 GLY 50 HA2 GLY 50 -6.759 -11.999 7.015 382 HA3 GLY 50 HA3 GLY 50 -7.625 -13.521 7.187 383 H LEU 51 H LEU 51 -5.785 -11.581 4.868 384 HA LEU 51 HA LEU 51 -4.928 -14.087 3.550 385 HB2 LEU 51 HB2 LEU 51 -6.283 -12.631 2.089 386 HB3 LEU 51 HB3 LEU 51 -5.141 -11.313 2.358 387 HG LEU 51 HG LEU 51 -3.325 -12.858 1.474 388 HD11 LEU 51 HD11 LEU 51 -4.310 -15.012 1.666 389 HD12 LEU 51 HD12 LEU 51 -4.307 -14.676 -0.064 390 HD13 LEU 51 HD13 LEU 51 -5.794 -14.493 0.867 391 HD21 LEU 51 HD21 LEU 51 -3.657 -12.023 -0.643 392 HD22 LEU 51 HD22 LEU 51 -4.910 -11.099 0.183 393 HD23 LEU 51 HD23 LEU 51 -5.335 -12.562 -0.705 394 HA PRO 52 HA PRO 52 -1.182 -12.456 5.665 395 HB2 PRO 52 HB2 PRO 52 -0.306 -15.230 5.095 396 HB3 PRO 52 HB3 PRO 52 -0.293 -14.335 6.625 397 HG2 PRO 52 HG2 PRO 52 -2.036 -16.312 6.129 398 HG3 PRO 52 HG3 PRO 52 -2.441 -14.912 7.136 399 HD2 PRO 52 HD2 PRO 52 -3.284 -15.525 4.336 400 HD3 PRO 52 HD3 PRO 52 -4.160 -14.659 5.617 401 H ALA 53 H ALA 53 -1.117 -11.257 3.495 402 HA ALA 53 HA ALA 53 0.062 -12.322 1.190 403 HB1 ALA 53 HB1 ALA 53 0.307 -9.495 2.251 404 HB2 ALA 53 HB2 ALA 53 -1.039 -10.106 1.289 405 HB3 ALA 53 HB3 ALA 53 0.575 -10.009 0.585 406 H LYS 54 H LYS 54 1.458 -11.297 4.214 407 HA LYS 54 HA LYS 54 4.102 -10.828 3.532 408 HB2 LYS 54 HB2 LYS 54 3.752 -10.443 5.768 409 HB3 LYS 54 HB3 LYS 54 2.707 -11.851 5.957 410 HG2 LYS 54 HG2 LYS 54 4.613 -13.348 5.915 411 HG3 LYS 54 HG3 LYS 54 5.701 -12.020 5.513 412 HD2 LYS 54 HD2 LYS 54 5.369 -10.991 7.660 413 HD3 LYS 54 HD3 LYS 54 4.051 -12.097 8.050 414 HE2 LYS 54 HE2 LYS 54 6.610 -13.398 7.339 415 HE3 LYS 54 HE3 LYS 54 6.628 -12.481 8.845 416 HZ1 LYS 54 HZ1 LYS 54 4.546 -13.694 9.446 417 HZ2 LYS 54 HZ2 LYS 54 5.935 -14.669 9.361 418 HZ3 LYS 54 HZ3 LYS 54 4.798 -14.692 8.098 419 H LEU 55 H LEU 55 2.318 -13.796 3.508 420 HA LEU 55 HA LEU 55 4.615 -15.533 3.518 421 HB2 LEU 55 HB2 LEU 55 1.719 -15.806 3.517 422 HB3 LEU 55 HB3 LEU 55 2.485 -16.941 2.405 423 HG LEU 55 HG LEU 55 4.094 -17.514 4.300 424 HD11 LEU 55 HD11 LEU 55 3.312 -16.975 6.575 425 HD12 LEU 55 HD12 LEU 55 1.973 -16.046 5.900 426 HD13 LEU 55 HD13 LEU 55 3.634 -15.500 5.663 427 HD21 LEU 55 HD21 LEU 55 1.522 -18.448 3.681 428 HD22 LEU 55 HD22 LEU 55 1.536 -18.307 5.438 429 HD23 LEU 55 HD23 LEU 55 2.747 -19.296 4.622 430 H ARG 56 H ARG 56 3.125 -13.560 1.189 431 HA ARG 56 HA ARG 56 3.965 -15.220 -1.064 432 HB2 ARG 56 HB2 ARG 56 2.593 -12.523 -0.995 433 HB3 ARG 56 HB3 ARG 56 2.921 -13.461 -2.452 434 HG2 ARG 56 HG2 ARG 56 1.652 -15.375 -1.179 435 HG3 ARG 56 HG3 ARG 56 0.991 -14.047 -0.224 436 HD2 ARG 56 HD2 ARG 56 -0.521 -14.456 -2.065 437 HD3 ARG 56 HD3 ARG 56 0.308 -12.933 -2.373 438 HE ARG 56 HE ARG 56 1.714 -15.101 -3.575 439 HH11 ARG 56 HH21 ARG 56 -1.111 -13.124 -3.846 440 HH12 ARG 56 HH22 ARG 56 -1.222 -13.276 -5.567 441 HH21 ARG 56 HH11 ARG 56 1.573 -15.309 -5.834 442 HH22 ARG 56 HH12 ARG 56 0.296 -14.513 -6.693 443 H HIS 57 H HIS 57 5.734 -13.698 0.940 444 HA HIS 57 HA HIS 57 7.934 -13.247 -0.659 445 HB2 HIS 57 HB2 HIS 57 5.994 -11.134 -0.939 446 HB3 HIS 57 HB3 HIS 57 7.466 -10.497 -0.207 447 HD1 HIS 57 HD1 HIS 57 6.239 -12.291 -3.299 448 HD2 HIS 57 HD2 HIS 57 9.697 -10.411 -1.925 449 HE1 HIS 57 HE1 HIS 57 7.791 -12.101 -5.292 450 H GLU 58 H GLU 58 9.134 -11.024 0.485 451 HA GLU 58 HA GLU 58 9.122 -11.687 3.374 452 HB2 GLU 58 HB2 GLU 58 11.150 -12.549 2.300 453 HB3 GLU 58 HB3 GLU 58 11.485 -10.954 1.624 454 HG2 GLU 58 HG2 GLU 58 11.642 -10.022 3.907 455 HG3 GLU 58 HG3 GLU 58 11.323 -11.621 4.578 456 H GLN 59 H GLN 59 9.357 -9.262 0.879 457 HA GLN 59 HA GLN 59 9.248 -7.138 2.936 458 HB2 GLN 59 HB2 GLN 59 10.728 -7.407 0.439 459 HB3 GLN 59 HB3 GLN 59 9.767 -5.929 0.478 460 HG2 GLN 59 HG2 GLN 59 10.800 -5.197 2.504 461 HG3 GLN 59 HG3 GLN 59 11.541 -6.774 2.777 462 HE21 GLN 59 HE21 GLN 59 13.718 -5.835 2.776 463 HE22 GLN 59 HE22 GLN 59 14.435 -5.299 1.335 464 H ILE 60 H ILE 60 7.454 -5.884 3.010 465 HA ILE 60 HA ILE 60 5.631 -5.872 0.707 466 HB ILE 60 HB ILE 60 4.472 -6.250 3.439 467 HG12 ILE 60 HG12 ILE 60 4.451 -8.752 2.835 468 HG13 ILE 60 HG13 ILE 60 5.732 -8.366 1.687 469 HG21 ILE 60 HG21 ILE 60 3.332 -5.792 1.047 470 HG22 ILE 60 HG22 ILE 60 2.565 -6.804 2.270 471 HG23 ILE 60 HG23 ILE 60 3.467 -7.548 0.950 472 HD11 ILE 60 HD11 ILE 60 5.936 -8.756 4.526 473 HD12 ILE 60 HD12 ILE 60 6.418 -7.105 4.138 474 HD13 ILE 60 HD13 ILE 60 7.228 -8.465 3.362 475 H ILE 61 H ILE 61 4.302 -4.063 0.575 476 HA ILE 61 HA ILE 61 4.659 -1.981 2.628 477 HB ILE 61 HB ILE 61 4.725 -1.262 -0.287 478 HG12 ILE 61 HG12 ILE 61 6.983 -2.281 1.439 479 HG13 ILE 61 HG13 ILE 61 6.568 -2.746 -0.211 480 HG21 ILE 61 HG21 ILE 61 6.278 0.154 1.809 481 HG22 ILE 61 HG22 ILE 61 4.524 0.244 1.959 482 HG23 ILE 61 HG23 ILE 61 5.313 0.810 0.486 483 HD11 ILE 61 HD11 ILE 61 7.766 -0.126 0.719 484 HD12 ILE 61 HD12 ILE 61 7.101 -0.358 -0.898 485 HD13 ILE 61 HD13 ILE 61 8.487 -1.312 -0.368 486 H PHE 62 H PHE 62 2.908 -0.628 2.904 487 HA PHE 62 HA PHE 62 0.522 -1.212 1.252 488 HB2 PHE 62 HB2 PHE 62 0.782 -0.916 4.241 489 HB3 PHE 62 HB3 PHE 62 -0.759 -0.675 3.416 490 HD1 PHE 62 HD2 PHE 62 2.004 -3.124 3.930 491 HD2 PHE 62 HD1 PHE 62 -2.065 -2.519 2.691 492 HE1 PHE 62 HE2 PHE 62 1.662 -5.579 3.853 493 HE2 PHE 62 HE1 PHE 62 -2.407 -4.975 2.615 494 HZ PHE 62 HZ PHE 62 -0.543 -6.504 3.195 495 H HIS 63 H HIS 63 -0.925 0.538 0.907 496 HA HIS 63 HA HIS 63 -0.290 3.158 1.958 497 HB2 HIS 63 HB2 HIS 63 0.267 4.219 -0.128 498 HB3 HIS 63 HB3 HIS 63 1.366 2.864 0.111 499 HD1 HIS 63 HD1 HIS 63 1.022 0.756 -1.392 500 HD2 HIS 63 HD2 HIS 63 -1.554 3.910 -2.282 501 HE1 HIS 63 HE1 HIS 63 -0.045 0.202 -3.621 502 H CYS 64 H CYS 64 -1.915 4.611 1.736 503 HA CYS 64 HA CYS 64 -4.369 3.660 0.380 504 HB2 CYS 64 HB2 CYS 64 -4.970 3.680 2.633 505 HB3 CYS 64 HB3 CYS 64 -3.950 5.074 2.994 506 HG CYS 64 HG CYS 64 -5.787 6.610 2.321 507 H GLN 65 H GLN 65 -5.702 5.271 -0.600 508 HA GLN 65 HA GLN 65 -4.858 6.924 -2.426 509 HB2 GLN 65 HB2 GLN 65 -7.239 6.794 -1.639 510 HB3 GLN 65 HB3 GLN 65 -6.836 7.975 -0.393 511 HG2 GLN 65 HG2 GLN 65 -6.400 8.443 -3.354 512 HG3 GLN 65 HG3 GLN 65 -7.828 8.986 -2.476 513 HE21 GLN 65 HE21 GLN 65 -4.914 10.120 -3.571 514 HE22 GLN 65 HE22 GLN 65 -4.619 11.319 -2.406 515 H ALA 66 H ALA 66 -5.080 8.128 0.928 516 HA ALA 66 HA ALA 66 -3.061 10.172 0.241 517 HB1 ALA 66 HB1 ALA 66 -4.413 11.625 1.278 518 HB2 ALA 66 HB2 ALA 66 -4.260 10.698 2.771 519 HB3 ALA 66 HB3 ALA 66 -5.552 10.326 1.630 520 H GLY 67 H GLY 67 -3.747 7.411 2.197 521 HA2 GLY 67 HA2 GLY 67 -1.810 6.197 3.079 522 HA3 GLY 67 HA3 GLY 67 -1.141 7.753 3.560 523 H LYS 68 H LYS 68 -3.672 8.800 4.534 524 HA LYS 68 HA LYS 68 -3.596 8.445 7.190 525 HB2 LYS 68 HB2 LYS 68 -6.243 8.562 7.033 526 HB3 LYS 68 HB3 LYS 68 -5.240 9.942 6.584 527 HG2 LYS 68 HG2 LYS 68 -5.716 9.737 4.364 528 HG3 LYS 68 HG3 LYS 68 -5.715 7.974 4.425 529 HD2 LYS 68 HD2 LYS 68 -7.932 7.935 5.382 530 HD3 LYS 68 HD3 LYS 68 -7.927 9.688 5.585 531 HE2 LYS 68 HE2 LYS 68 -9.188 9.316 3.608 532 HE3 LYS 68 HE3 LYS 68 -7.595 9.812 3.036 533 HZ1 LYS 68 HZ1 LYS 68 -8.567 7.799 1.934 534 HZ2 LYS 68 HZ2 LYS 68 -8.362 6.974 3.404 535 HZ3 LYS 68 HZ3 LYS 68 -7.012 7.590 2.579 536 H ARG 69 H ARG 69 -5.857 6.495 5.227 537 HA ARG 69 HA ARG 69 -6.580 4.667 7.179 538 HB2 ARG 69 HB2 ARG 69 -6.645 4.772 4.247 539 HB3 ARG 69 HB3 ARG 69 -6.580 3.136 4.898 540 HG2 ARG 69 HG2 ARG 69 -8.555 3.460 6.188 541 HG3 ARG 69 HG3 ARG 69 -8.512 5.207 5.950 542 HD2 ARG 69 HD2 ARG 69 -8.987 4.941 3.576 543 HD3 ARG 69 HD3 ARG 69 -8.898 3.188 3.724 544 HE ARG 69 HE ARG 69 -11.063 3.210 4.556 545 HH11 ARG 69 HH21 ARG 69 -9.641 6.360 4.733 546 HH12 ARG 69 HH22 ARG 69 -11.106 7.144 5.228 547 HH21 ARG 69 HH11 ARG 69 -12.985 4.230 5.205 548 HH22 ARG 69 HH12 ARG 69 -12.997 5.938 5.495 549 H THR 70 H THR 70 -3.770 4.650 5.037 550 HA THR 70 HA THR 70 -2.822 2.068 5.581 551 HB THR 70 HB THR 70 -0.959 4.390 5.177 552 HG1 THR 70 HG1 THR 70 -1.774 3.433 2.856 553 HG21 THR 70 HG21 THR 70 -0.309 1.885 5.404 554 HG22 THR 70 HG22 THR 70 0.370 2.808 4.063 555 HG23 THR 70 HG23 THR 70 -0.989 1.721 3.785 556 H SER 71 H SER 71 -2.083 5.159 7.187 557 HA SER 71 HA SER 71 -0.342 4.001 9.129 558 HB2 SER 71 HB2 SER 71 -0.990 6.278 10.320 559 HB3 SER 71 HB3 SER 71 0.067 6.255 8.910 560 HG SER 71 HG SER 71 -1.710 6.742 7.624 561 H ASN 72 H ASN 72 -3.756 4.182 8.821 562 HA ASN 72 HA ASN 72 -4.297 3.919 11.663 563 HB2 ASN 72 HB2 ASN 72 -5.796 5.046 9.862 564 HB3 ASN 72 HB3 ASN 72 -6.301 3.400 9.484 565 HD21 ASN 72 HD21 ASN 72 -7.541 2.230 11.106 566 HD22 ASN 72 HD22 ASN 72 -8.208 3.020 12.453 567 H ASN 73 H ASN 73 -4.554 1.857 8.767 568 HA ASN 73 HA ASN 73 -5.209 -0.469 10.379 569 HB2 ASN 73 HB2 ASN 73 -5.976 0.147 7.926 570 HB3 ASN 73 HB3 ASN 73 -4.470 -0.657 7.488 571 HD21 ASN 73 HD21 ASN 73 -7.157 -1.285 9.836 572 HD22 ASN 73 HD22 ASN 73 -7.301 -2.928 9.437 573 H ALA 74 H ALA 74 -2.389 1.107 9.327 574 HA ALA 74 HA ALA 74 -0.582 -0.905 8.770 575 HB1 ALA 74 HB1 ALA 74 -0.410 1.805 9.938 576 HB2 ALA 74 HB2 ALA 74 0.496 1.090 8.605 577 HB3 ALA 74 HB3 ALA 74 0.959 0.745 10.272 578 H ASP 75 H ASP 75 -2.102 -0.110 11.797 579 HA ASP 75 HA ASP 75 -0.278 -1.479 13.512 580 HB2 ASP 75 HB2 ASP 75 -2.428 0.184 13.893 581 HB3 ASP 75 HB3 ASP 75 -3.081 -1.377 14.384 582 H LYS 76 H LYS 76 -3.198 -2.421 11.760 583 HA LYS 76 HA LYS 76 -3.368 -5.027 12.955 584 HB2 LYS 76 HB2 LYS 76 -4.651 -3.782 10.519 585 HB3 LYS 76 HB3 LYS 76 -4.967 -5.441 11.029 586 HG2 LYS 76 HG2 LYS 76 -5.166 -3.433 13.185 587 HG3 LYS 76 HG3 LYS 76 -6.381 -3.275 11.915 588 HD2 LYS 76 HD2 LYS 76 -6.939 -5.680 12.179 589 HD3 LYS 76 HD3 LYS 76 -5.770 -5.790 13.494 590 HE2 LYS 76 HE2 LYS 76 -8.407 -5.223 13.867 591 HE3 LYS 76 HE3 LYS 76 -7.130 -4.705 14.968 592 HZ1 LYS 76 HZ1 LYS 76 -8.260 -2.758 14.490 593 HZ2 LYS 76 HZ2 LYS 76 -8.489 -3.159 12.855 594 HZ3 LYS 76 HZ3 LYS 76 -6.951 -2.698 13.411 595 H LEU 77 H LEU 77 -1.692 -3.640 10.235 596 HA LEU 77 HA LEU 77 -1.171 -6.126 8.893 597 HB2 LEU 77 HB2 LEU 77 0.261 -3.469 8.662 598 HB3 LEU 77 HB3 LEU 77 0.379 -4.817 7.530 599 HG LEU 77 HG LEU 77 -2.199 -3.373 8.211 600 HD11 LEU 77 HD11 LEU 77 -0.213 -2.241 6.809 601 HD12 LEU 77 HD12 LEU 77 -1.906 -2.025 6.366 602 HD13 LEU 77 HD13 LEU 77 -0.919 -3.216 5.521 603 HD21 LEU 77 HD21 LEU 77 -1.458 -5.756 6.603 604 HD22 LEU 77 HD22 LEU 77 -2.584 -4.636 5.834 605 HD23 LEU 77 HD23 LEU 77 -2.986 -5.361 7.392 606 H ALA 78 H ALA 78 0.922 -3.894 10.738 607 HA ALA 78 HA ALA 78 3.266 -5.259 10.820 608 HB1 ALA 78 HB1 ALA 78 3.824 -4.003 12.670 609 HB2 ALA 78 HB2 ALA 78 2.255 -4.241 13.438 610 HB3 ALA 78 HB3 ALA 78 2.419 -3.098 12.105 611 H ALA 79 H ALA 79 0.265 -6.268 12.200 612 HA ALA 79 HA ALA 79 1.377 -8.174 14.048 613 HB1 ALA 79 HB1 ALA 79 -0.953 -8.963 14.259 614 HB2 ALA 79 HB2 ALA 79 -1.419 -7.918 12.917 615 HB3 ALA 79 HB3 ALA 79 -0.843 -7.211 14.425 616 H ILE 80 H ILE 80 -0.343 -8.461 10.936 617 HA ILE 80 HA ILE 80 0.210 -11.274 10.713 618 HB ILE 80 HB ILE 80 -0.632 -9.450 8.463 619 HG12 ILE 80 HG12 ILE 80 -2.579 -10.832 10.301 620 HG13 ILE 80 HG13 ILE 80 -1.977 -9.224 10.701 621 HG21 ILE 80 HG21 ILE 80 -1.773 -11.480 7.687 622 HG22 ILE 80 HG22 ILE 80 -1.244 -12.345 9.130 623 HG23 ILE 80 HG23 ILE 80 -0.058 -11.806 7.942 624 HD11 ILE 80 HD11 ILE 80 -2.820 -8.306 8.644 625 HD12 ILE 80 HD12 ILE 80 -4.130 -9.242 9.365 626 HD13 ILE 80 HD13 ILE 80 -3.205 -9.910 8.020 627 H ALA 81 H ALA 81 1.921 -8.399 9.991 628 HA ALA 81 HA ALA 81 3.572 -9.605 7.918 629 HB1 ALA 81 HB1 ALA 81 4.832 -7.289 8.506 630 HB2 ALA 81 HB2 ALA 81 3.206 -6.906 9.073 631 HB3 ALA 81 HB3 ALA 81 3.464 -7.394 7.398 632 H ALA 82 H ALA 82 3.475 -9.831 11.219 633 HA ALA 82 HA ALA 82 5.032 -10.322 12.862 634 HB1 ALA 82 HB1 ALA 82 5.915 -12.332 12.365 635 HB2 ALA 82 HB2 ALA 82 6.890 -11.663 11.055 636 HB3 ALA 82 HB3 ALA 82 5.214 -12.126 10.760 637 HA PRO 83 HA PRO 83 8.591 -7.803 13.108 638 HB2 PRO 83 HB2 PRO 83 10.515 -10.054 13.227 639 HB3 PRO 83 HB3 PRO 83 10.170 -8.793 14.423 640 HG2 PRO 83 HG2 PRO 83 9.385 -11.336 14.751 641 HG3 PRO 83 HG3 PRO 83 8.454 -9.961 15.367 642 HD2 PRO 83 HD2 PRO 83 7.914 -11.688 12.991 643 HD3 PRO 83 HD3 PRO 83 6.768 -10.886 14.089 644 H ALA 84 H ALA 84 7.988 -9.503 10.453 645 HA ALA 84 HA ALA 84 10.316 -9.645 8.922 646 HB1 ALA 84 HB1 ALA 84 7.848 -10.355 8.396 647 HB2 ALA 84 HB2 ALA 84 8.924 -9.892 7.078 648 HB3 ALA 84 HB3 ALA 84 7.736 -8.742 7.693 649 H GLU 85 H GLU 85 10.027 -8.063 6.705 650 HA GLU 85 HA GLU 85 10.676 -5.394 7.784 651 HB2 GLU 85 HB2 GLU 85 11.351 -6.339 5.008 652 HB3 GLU 85 HB3 GLU 85 12.132 -5.083 5.970 653 HG2 GLU 85 HG2 GLU 85 12.407 -8.059 6.157 654 HG3 GLU 85 HG3 GLU 85 13.653 -6.815 6.229 655 H ILE 86 H ILE 86 8.897 -4.153 7.738 656 HA ILE 86 HA ILE 86 7.314 -4.118 5.239 657 HB ILE 86 HB ILE 86 5.750 -2.987 7.277 658 HG12 ILE 86 HG12 ILE 86 6.880 -5.642 8.198 659 HG13 ILE 86 HG13 ILE 86 7.437 -4.092 8.834 660 HG21 ILE 86 HG21 ILE 86 4.366 -5.008 6.917 661 HG22 ILE 86 HG22 ILE 86 5.716 -5.776 6.081 662 HG23 ILE 86 HG23 ILE 86 4.949 -4.347 5.390 663 HD11 ILE 86 HD11 ILE 86 5.590 -3.837 10.111 664 HD12 ILE 86 HD12 ILE 86 5.281 -5.545 9.799 665 HD13 ILE 86 HD13 ILE 86 4.519 -4.313 8.793 666 H PHE 87 H PHE 87 6.948 -2.186 4.276 667 HA PHE 87 HA PHE 87 8.112 0.198 5.585 668 HB2 PHE 87 HB2 PHE 87 8.224 -0.802 2.776 669 HB3 PHE 87 HB3 PHE 87 8.177 0.942 3.035 670 HD1 PHE 87 HD2 PHE 87 9.901 2.015 4.544 671 HD2 PHE 87 HD1 PHE 87 10.186 -2.065 3.238 672 HE1 PHE 87 HE2 PHE 87 12.306 1.989 5.153 673 HE2 PHE 87 HE1 PHE 87 12.589 -2.093 3.848 674 HZ PHE 87 HZ PHE 87 13.649 -0.066 4.805 675 H LEU 88 H LEU 88 7.144 2.285 4.689 676 HA LEU 88 HA LEU 88 4.286 1.972 4.068 677 HB2 LEU 88 HB2 LEU 88 4.887 2.382 6.598 678 HB3 LEU 88 HB3 LEU 88 5.123 4.043 6.059 679 HG LEU 88 HG LEU 88 2.848 3.847 4.931 680 HD11 LEU 88 HD11 LEU 88 1.548 2.064 6.565 681 HD12 LEU 88 HD12 LEU 88 3.072 1.228 6.269 682 HD13 LEU 88 HD13 LEU 88 2.056 1.713 4.913 683 HD21 LEU 88 HD21 LEU 88 1.840 3.766 7.505 684 HD22 LEU 88 HD22 LEU 88 2.525 5.194 6.728 685 HD23 LEU 88 HD23 LEU 88 3.534 4.185 7.765 686 H LEU 89 H LEU 89 3.648 3.280 2.471 687 HA LEU 89 HA LEU 89 5.520 5.268 1.443 688 HB2 LEU 89 HB2 LEU 89 4.303 3.642 -0.050 689 HB3 LEU 89 HB3 LEU 89 2.810 4.498 0.342 690 HG LEU 89 HG LEU 89 5.005 6.280 -0.464 691 HD11 LEU 89 HD11 LEU 89 3.883 4.232 -2.399 692 HD12 LEU 89 HD12 LEU 89 5.576 4.451 -1.954 693 HD13 LEU 89 HD13 LEU 89 4.742 5.689 -2.894 694 HD21 LEU 89 HD21 LEU 89 3.244 7.409 -1.580 695 HD22 LEU 89 HD22 LEU 89 2.475 6.729 -0.147 696 HD23 LEU 89 HD23 LEU 89 2.274 5.942 -1.712 697 H GLU 90 H GLU 90 5.481 7.195 2.420 698 HA GLU 90 HA GLU 90 3.250 8.269 3.806 699 HB2 GLU 90 HB2 GLU 90 5.816 8.834 3.941 700 HB3 GLU 90 HB3 GLU 90 5.413 10.021 2.700 701 HG2 GLU 90 HG2 GLU 90 3.488 10.730 4.263 702 HG3 GLU 90 HG3 GLU 90 4.332 9.812 5.509 703 H ASP 91 H ASP 91 1.834 9.937 3.243 704 HA ASP 91 HA ASP 91 0.643 11.363 1.863 705 HB2 ASP 91 HB2 ASP 91 3.019 11.742 0.841 706 HB3 ASP 91 HB3 ASP 91 2.430 10.701 -0.454 707 H GLY 92 H GLY 92 1.730 8.265 0.584 708 HA2 GLY 92 HA2 GLY 92 0.288 6.507 -0.061 709 HA3 GLY 92 HA3 GLY 92 -1.021 7.673 -0.237 710 H ILE 93 H ILE 93 -1.337 6.489 -2.310 711 HA ILE 93 HA ILE 93 0.467 6.409 -4.415 712 HB ILE 93 HB ILE 93 -1.627 5.277 -4.636 713 HG12 ILE 93 HG12 ILE 93 -1.827 7.618 -6.541 714 HG13 ILE 93 HG13 ILE 93 -0.562 6.397 -6.688 715 HG21 ILE 93 HG21 ILE 93 -2.766 7.190 -3.215 716 HG22 ILE 93 HG22 ILE 93 -3.723 6.255 -4.363 717 HG23 ILE 93 HG23 ILE 93 -3.142 7.862 -4.801 718 HD11 ILE 93 HD11 ILE 93 -2.216 5.507 -8.070 719 HD12 ILE 93 HD12 ILE 93 -3.528 6.100 -7.051 720 HD13 ILE 93 HD13 ILE 93 -2.575 4.707 -6.539 721 H ASP 94 H ASP 94 -1.109 9.128 -3.000 722 HA ASP 94 HA ASP 94 -1.092 10.924 -5.172 723 HB2 ASP 94 HB2 ASP 94 -1.909 11.047 -2.562 724 HB3 ASP 94 HB3 ASP 94 -0.489 12.093 -2.541 725 H GLY 95 H GLY 95 1.432 9.714 -3.122 726 HA2 GLY 95 HA2 GLY 95 3.337 11.794 -3.783 727 HA3 GLY 95 HA3 GLY 95 3.670 10.312 -2.890 728 H TRP 96 H TRP 96 2.548 8.536 -4.866 729 HA TRP 96 HA TRP 96 4.836 8.158 -6.522 730 HB2 TRP 96 HB2 TRP 96 2.802 6.552 -5.669 731 HB3 TRP 96 HB3 TRP 96 2.325 6.842 -7.342 732 HD1 TRP 96 HD1 TRP 96 5.513 5.821 -5.399 733 HE1 TRP 96 HE1 TRP 96 6.829 4.142 -6.848 734 HE3 TRP 96 HE3 TRP 96 2.562 5.750 -9.566 735 HZ2 TRP 96 HZ2 TRP 96 6.653 2.931 -9.433 736 HZ3 TRP 96 HZ3 TRP 96 3.158 4.328 -11.505 737 HH2 TRP 96 HH2 TRP 96 5.198 2.919 -11.444 738 H LYS 97 H LYS 97 1.733 9.712 -6.942 739 HA LYS 97 HA LYS 97 1.853 9.923 -9.794 740 HB2 LYS 97 HB2 LYS 97 0.168 11.079 -7.619 741 HB3 LYS 97 HB3 LYS 97 0.169 11.890 -9.185 742 HG2 LYS 97 HG2 LYS 97 -0.516 9.863 -10.312 743 HG3 LYS 97 HG3 LYS 97 -0.324 8.922 -8.832 744 HD2 LYS 97 HD2 LYS 97 -2.498 9.341 -8.403 745 HD3 LYS 97 HD3 LYS 97 -2.032 11.016 -8.107 746 HE2 LYS 97 HE2 LYS 97 -2.403 11.574 -10.455 747 HE3 LYS 97 HE3 LYS 97 -2.764 9.888 -10.826 748 HZ1 LYS 97 HZ1 LYS 97 -4.295 11.440 -8.821 749 HZ2 LYS 97 HZ2 LYS 97 -4.715 9.962 -9.547 750 HZ3 LYS 97 HZ3 LYS 97 -4.730 11.394 -10.459 751 H ARG 98 H ARG 98 2.819 11.980 -7.090 752 HA ARG 98 HA ARG 98 3.555 14.213 -8.750 753 HB2 ARG 98 HB2 ARG 98 3.934 13.502 -5.852 754 HB3 ARG 98 HB3 ARG 98 4.787 14.876 -6.555 755 HG2 ARG 98 HG2 ARG 98 2.510 15.651 -7.433 756 HG3 ARG 98 HG3 ARG 98 1.802 14.447 -6.355 757 HD2 ARG 98 HD2 ARG 98 3.568 16.779 -5.564 758 HD3 ARG 98 HD3 ARG 98 1.859 16.573 -5.192 759 HE ARG 98 HE ARG 98 2.857 14.400 -4.025 760 HH11 ARG 98 HH21 ARG 98 4.024 17.656 -4.120 761 HH12 ARG 98 HH22 ARG 98 4.800 17.569 -2.574 762 HH21 ARG 98 HH11 ARG 98 3.872 14.278 -1.998 763 HH22 ARG 98 HH12 ARG 98 4.714 15.657 -1.373 764 H ALA 99 H ALA 99 5.172 11.415 -7.383 765 HA ALA 99 HA ALA 99 7.841 12.115 -7.669 766 HB1 ALA 99 HB1 ALA 99 7.246 10.036 -6.612 767 HB2 ALA 99 HB2 ALA 99 8.227 9.651 -8.026 768 HB3 ALA 99 HB3 ALA 99 6.477 9.447 -8.085 769 H GLY 100 H GLY 100 5.470 11.750 -10.092 770 HA2 GLY 100 HA2 GLY 100 5.790 12.437 -12.338 771 HA3 GLY 100 HA3 GLY 100 7.512 12.108 -12.169 772 H LEU 101 H LEU 101 4.999 9.888 -11.143 773 HA LEU 101 HA LEU 101 5.784 8.060 -13.333 774 HB2 LEU 101 HB2 LEU 101 4.885 7.271 -10.557 775 HB3 LEU 101 HB3 LEU 101 5.507 6.206 -11.819 776 HG LEU 101 HG LEU 101 7.131 8.518 -10.753 777 HD11 LEU 101 HD11 LEU 101 7.139 5.648 -9.771 778 HD12 LEU 101 HD12 LEU 101 6.520 7.028 -8.865 779 HD13 LEU 101 HD13 LEU 101 8.238 6.924 -9.248 780 HD21 LEU 101 HD21 LEU 101 7.645 6.026 -12.376 781 HD22 LEU 101 HD22 LEU 101 8.957 6.839 -11.524 782 HD23 LEU 101 HD23 LEU 101 8.050 7.698 -12.768 783 HA PRO 102 HA PRO 102 1.441 8.920 -14.407 784 HB2 PRO 102 HB2 PRO 102 2.120 6.608 -16.186 785 HB3 PRO 102 HB3 PRO 102 1.283 8.123 -16.576 786 HG2 PRO 102 HG2 PRO 102 3.831 7.729 -17.242 787 HG3 PRO 102 HG3 PRO 102 3.233 9.318 -16.739 788 HD2 PRO 102 HD2 PRO 102 4.975 7.416 -15.262 789 HD3 PRO 102 HD3 PRO 102 4.853 9.183 -15.114 790 H VAL 103 H VAL 103 -0.552 7.679 -14.314 791 HA VAL 103 HA VAL 103 -0.326 5.289 -12.596 792 HB VAL 103 HB VAL 103 -2.794 5.978 -12.096 793 HG11 VAL 103 HG11 VAL 103 -1.475 6.177 -10.227 794 HG12 VAL 103 HG12 VAL 103 -1.690 7.896 -10.554 795 HG13 VAL 103 HG13 VAL 103 -0.222 7.075 -11.083 796 HG21 VAL 103 HG21 VAL 103 -1.669 8.674 -12.874 797 HG22 VAL 103 HG22 VAL 103 -3.327 8.279 -12.423 798 HG23 VAL 103 HG23 VAL 103 -2.680 7.729 -13.968 799 H ALA 104 H ALA 104 -2.345 3.839 -12.810 800 HA ALA 104 HA ALA 104 -3.103 3.614 -15.662 801 HB1 ALA 104 HB1 ALA 104 -2.263 1.450 -13.729 802 HB2 ALA 104 HB2 ALA 104 -1.538 1.857 -15.283 803 HB3 ALA 104 HB3 ALA 104 -3.132 1.106 -15.224 804 H VAL 105 H VAL 105 -5.241 3.622 -15.995 805 HA VAL 105 HA VAL 105 -7.016 3.352 -13.672 806 HB VAL 105 HB VAL 105 -7.733 4.193 -16.485 807 HG11 VAL 105 HG11 VAL 105 -9.771 3.835 -15.506 808 HG12 VAL 105 HG12 VAL 105 -9.467 5.433 -14.826 809 HG13 VAL 105 HG13 VAL 105 -9.130 3.990 -13.871 810 HG21 VAL 105 HG21 VAL 105 -6.953 5.888 -14.088 811 HG22 VAL 105 HG22 VAL 105 -7.583 6.512 -15.612 812 HG23 VAL 105 HG23 VAL 105 -6.015 5.704 -15.570 813 H ASN 106 H ASN 106 -8.376 1.686 -13.399 814 HA ASN 106 HA ASN 106 -8.170 -0.557 -15.241 815 HB2 ASN 106 HB2 ASN 106 -8.055 -0.889 -12.776 816 HB3 ASN 106 HB3 ASN 106 -9.724 -0.330 -12.654 817 HD21 ASN 106 HD21 ASN 106 -9.113 -2.952 -11.813 818 HD22 ASN 106 HD22 ASN 106 -9.776 -4.061 -12.914 819 H LYS 107 H LYS 107 -9.438 -0.494 -16.995 820 HA LYS 107 HA LYS 107 -11.596 0.992 -17.618 821 HB2 LYS 107 HB2 LYS 107 -10.508 -0.802 -19.046 822 HB3 LYS 107 HB3 LYS 107 -11.547 -1.968 -18.226 823 HG2 LYS 107 HG2 LYS 107 -13.532 -0.597 -18.915 824 HG3 LYS 107 HG3 LYS 107 -12.445 0.422 -19.860 825 HD2 LYS 107 HD2 LYS 107 -11.813 -1.425 -21.270 826 HD3 LYS 107 HD3 LYS 107 -12.650 -2.576 -20.229 827 HE2 LYS 107 HE2 LYS 107 -14.797 -1.696 -20.831 828 HE3 LYS 107 HE3 LYS 107 -14.071 -0.303 -21.634 829 HZ1 LYS 107 HZ1 LYS 107 -13.282 -2.957 -22.562 830 HZ2 LYS 107 HZ2 LYS 107 -13.496 -1.518 -23.440 831 HZ3 LYS 107 HZ3 LYS 107 -14.845 -2.432 -22.958 Start of MODEL 5 1 H MET 1 H1 MET 1 7.387 -5.228 15.984 2 HA MET 1 HA MET 1 7.373 -4.409 13.485 3 HB2 MET 1 HB2 MET 1 6.072 -2.640 15.535 4 HB3 MET 1 HB3 MET 1 5.401 -3.287 14.037 5 HG2 MET 1 HG2 MET 1 4.359 -4.685 15.555 6 HG3 MET 1 HG3 MET 1 5.833 -5.611 15.269 7 HE1 MET 1 HE1 MET 1 4.031 -3.000 17.359 8 HE2 MET 1 HE2 MET 1 4.392 -3.519 19.005 9 HE3 MET 1 HE3 MET 1 3.523 -4.599 17.917 10 H ALA 2 H ALA 2 9.170 -3.404 12.617 11 HA ALA 2 HA ALA 2 9.851 -0.736 13.685 12 HB1 ALA 2 HB1 ALA 2 11.794 -1.508 11.804 13 HB2 ALA 2 HB2 ALA 2 11.458 -2.950 12.764 14 HB3 ALA 2 HB3 ALA 2 11.967 -1.460 13.559 15 H LEU 3 H LEU 3 7.647 -1.572 11.756 16 HA LEU 3 HA LEU 3 7.989 -0.994 9.142 17 HB2 LEU 3 HB2 LEU 3 5.777 0.298 9.283 18 HB3 LEU 3 HB3 LEU 3 5.769 -1.367 9.866 19 HG LEU 3 HG LEU 3 6.545 0.510 11.958 20 HD11 LEU 3 HD11 LEU 3 5.066 2.042 10.733 21 HD12 LEU 3 HD12 LEU 3 4.295 1.519 12.230 22 HD13 LEU 3 HD13 LEU 3 3.804 0.810 10.691 23 HD21 LEU 3 HD21 LEU 3 4.784 -0.725 13.175 24 HD22 LEU 3 HD22 LEU 3 5.849 -1.836 12.315 25 HD23 LEU 3 HD23 LEU 3 4.255 -1.462 11.663 26 H THR 4 H THR 4 9.156 0.492 8.134 27 HA THR 4 HA THR 4 9.456 3.157 9.365 28 HB THR 4 HB THR 4 11.127 1.706 7.302 29 HG1 THR 4 HG1 THR 4 12.662 1.850 9.012 30 HG21 THR 4 HG21 THR 4 12.534 3.922 8.204 31 HG22 THR 4 HG22 THR 4 10.896 4.539 7.990 32 HG23 THR 4 HG23 THR 4 11.734 3.778 6.639 33 H THR 5 H THR 5 9.110 5.026 8.162 34 HA THR 5 HA THR 5 7.150 4.798 6.056 35 HB THR 5 HB THR 5 7.765 7.426 6.073 36 HG1 THR 5 HG1 THR 5 8.010 7.207 8.722 37 HG21 THR 5 HG21 THR 5 6.133 5.972 8.173 38 HG22 THR 5 HG22 THR 5 5.568 6.422 6.564 39 HG23 THR 5 HG23 THR 5 5.966 7.673 7.741 40 H ILE 6 H ILE 6 7.397 5.540 3.897 41 HA ILE 6 HA ILE 6 10.155 6.028 3.017 42 HB ILE 6 HB ILE 6 8.726 3.573 2.628 43 HG12 ILE 6 HG12 ILE 6 11.326 4.385 1.348 44 HG13 ILE 6 HG13 ILE 6 11.198 4.111 3.081 45 HG21 ILE 6 HG21 ILE 6 7.818 4.669 0.585 46 HG22 ILE 6 HG22 ILE 6 8.894 3.324 0.209 47 HG23 ILE 6 HG23 ILE 6 9.471 4.982 0.052 48 HD11 ILE 6 HD11 ILE 6 10.954 1.850 2.843 49 HD12 ILE 6 HD12 ILE 6 11.763 2.139 1.302 50 HD13 ILE 6 HD13 ILE 6 10.006 2.010 1.365 51 H SER 7 H SER 7 10.299 6.748 0.799 52 HA SER 7 HA SER 7 7.964 8.406 0.054 53 HB2 SER 7 HB2 SER 7 10.880 8.881 0.078 54 HB3 SER 7 HB3 SER 7 10.047 9.442 -1.370 55 HG SER 7 HG SER 7 10.094 10.988 0.363 56 HA PRO 8 HA PRO 8 7.126 6.092 -3.582 57 HB2 PRO 8 HB2 PRO 8 7.562 8.680 -5.021 58 HB3 PRO 8 HB3 PRO 8 6.219 7.531 -5.145 59 HG2 PRO 8 HG2 PRO 8 6.045 9.834 -3.758 60 HG3 PRO 8 HG3 PRO 8 5.148 8.371 -3.322 61 HD2 PRO 8 HD2 PRO 8 7.398 9.644 -1.914 62 HD3 PRO 8 HD3 PRO 8 6.247 8.428 -1.321 63 H HIS 9 H HIS 9 9.907 8.191 -3.373 64 HA HIS 9 HA HIS 9 11.285 7.313 -5.688 65 HB2 HIS 9 HB2 HIS 9 12.331 8.484 -3.102 66 HB3 HIS 9 HB3 HIS 9 13.291 8.262 -4.565 67 HD1 HIS 9 HD1 HIS 9 10.295 10.185 -3.274 68 HD2 HIS 9 HD2 HIS 9 12.884 10.210 -6.541 69 HE1 HIS 9 HE1 HIS 9 9.786 12.298 -4.575 70 H ASP 10 H ASP 10 11.084 6.056 -2.398 71 HA ASP 10 HA ASP 10 13.241 4.178 -2.770 72 HB2 ASP 10 HB2 ASP 10 11.967 5.206 -0.578 73 HB3 ASP 10 HB3 ASP 10 11.257 3.595 -0.683 74 H ALA 11 H ALA 11 9.712 3.852 -2.400 75 HA ALA 11 HA ALA 11 9.424 1.155 -2.870 76 HB1 ALA 11 HB1 ALA 11 7.699 3.271 -2.604 77 HB2 ALA 11 HB2 ALA 11 7.213 1.619 -2.979 78 HB3 ALA 11 HB3 ALA 11 7.429 2.790 -4.279 79 H GLN 12 H GLN 12 10.098 3.716 -5.165 80 HA GLN 12 HA GLN 12 9.521 2.342 -7.553 81 HB2 GLN 12 HB2 GLN 12 10.284 4.855 -7.016 82 HB3 GLN 12 HB3 GLN 12 11.847 4.197 -7.502 83 HG2 GLN 12 HG2 GLN 12 10.266 3.160 -9.450 84 HG3 GLN 12 HG3 GLN 12 9.409 4.665 -9.120 85 HE21 GLN 12 HE21 GLN 12 12.217 5.775 -8.239 86 HE22 GLN 12 HE22 GLN 12 12.929 6.198 -9.721 87 H GLU 13 H GLU 13 12.412 2.431 -5.523 88 HA GLU 13 HA GLU 13 14.019 0.869 -7.319 89 HB2 GLU 13 HB2 GLU 13 14.374 1.437 -4.366 90 HB3 GLU 13 HB3 GLU 13 15.599 0.757 -5.437 91 HG2 GLU 13 HG2 GLU 13 15.011 2.923 -6.878 92 HG3 GLU 13 HG3 GLU 13 14.538 3.545 -5.298 93 H LEU 14 H LEU 14 12.208 0.190 -4.337 94 HA LEU 14 HA LEU 14 12.902 -2.552 -4.163 95 HB2 LEU 14 HB2 LEU 14 10.271 -1.502 -3.175 96 HB3 LEU 14 HB3 LEU 14 11.353 -2.680 -2.431 97 HG LEU 14 HG LEU 14 11.730 0.315 -2.618 98 HD11 LEU 14 HD11 LEU 14 10.639 -1.403 -0.671 99 HD12 LEU 14 HD12 LEU 14 11.062 0.296 -0.471 100 HD13 LEU 14 HD13 LEU 14 12.235 -0.958 -0.070 101 HD21 LEU 14 HD21 LEU 14 13.701 -1.902 -2.121 102 HD22 LEU 14 HD22 LEU 14 13.907 -0.351 -1.309 103 HD23 LEU 14 HD23 LEU 14 13.905 -0.431 -3.071 104 H ILE 15 H ILE 15 10.062 -0.897 -5.529 105 HA ILE 15 HA ILE 15 8.532 -3.050 -6.299 106 HB ILE 15 HB ILE 15 9.039 -0.394 -7.633 107 HG12 ILE 15 HG12 ILE 15 6.504 -1.488 -6.402 108 HG13 ILE 15 HG13 ILE 15 7.744 -0.705 -5.422 109 HG21 ILE 15 HG21 ILE 15 7.317 -2.701 -8.539 110 HG22 ILE 15 HG22 ILE 15 8.434 -1.724 -9.492 111 HG23 ILE 15 HG23 ILE 15 6.904 -1.036 -8.948 112 HD11 ILE 15 HD11 ILE 15 6.018 0.478 -7.583 113 HD12 ILE 15 HD12 ILE 15 7.584 1.201 -7.214 114 HD13 ILE 15 HD13 ILE 15 6.345 1.092 -5.962 115 H ALA 16 H ALA 16 11.586 -2.001 -7.525 116 HA ALA 16 HA ALA 16 11.430 -3.639 -9.931 117 HB1 ALA 16 HB1 ALA 16 13.842 -2.209 -8.795 118 HB2 ALA 16 HB2 ALA 16 12.655 -1.432 -9.843 119 HB3 ALA 16 HB3 ALA 16 13.615 -2.782 -10.446 120 H ARG 17 H ARG 17 12.559 -3.857 -6.666 121 HA ARG 17 HA ARG 17 14.318 -6.106 -7.138 122 HB2 ARG 17 HB2 ARG 17 14.132 -4.239 -5.146 123 HB3 ARG 17 HB3 ARG 17 13.375 -5.642 -4.391 124 HG2 ARG 17 HG2 ARG 17 15.466 -6.904 -5.443 125 HG3 ARG 17 HG3 ARG 17 16.185 -5.296 -5.354 126 HD2 ARG 17 HD2 ARG 17 15.356 -7.126 -3.160 127 HD3 ARG 17 HD3 ARG 17 16.720 -6.015 -3.241 128 HE ARG 17 HE ARG 17 14.181 -4.658 -3.119 129 HH11 ARG 17 HH21 ARG 17 16.680 -6.245 -1.332 130 HH12 ARG 17 HH22 ARG 17 16.358 -5.396 0.143 131 HH21 ARG 17 HH11 ARG 17 13.748 -3.539 -1.187 132 HH22 ARG 17 HH12 ARG 17 14.697 -3.864 0.225 133 H GLY 18 H GLY 18 11.067 -5.583 -5.827 134 HA2 GLY 18 HA2 GLY 18 9.726 -7.721 -6.679 135 HA3 GLY 18 HA3 GLY 18 10.689 -8.444 -5.396 136 H ALA 19 H ALA 19 10.473 -5.616 -4.087 137 HA ALA 19 HA ALA 19 8.898 -5.979 -1.997 138 HB1 ALA 19 HB1 ALA 19 9.337 -3.795 -1.765 139 HB2 ALA 19 HB2 ALA 19 8.033 -3.437 -2.896 140 HB3 ALA 19 HB3 ALA 19 9.680 -3.651 -3.488 141 H LYS 20 H LYS 20 6.793 -6.249 -1.445 142 HA LYS 20 HA LYS 20 4.868 -6.486 -3.662 143 HB2 LYS 20 HB2 LYS 20 5.187 -7.798 -1.001 144 HB3 LYS 20 HB3 LYS 20 3.552 -7.601 -1.628 145 HG2 LYS 20 HG2 LYS 20 5.383 -8.575 -3.684 146 HG3 LYS 20 HG3 LYS 20 5.335 -9.647 -2.287 147 HD2 LYS 20 HD2 LYS 20 2.828 -8.592 -3.609 148 HD3 LYS 20 HD3 LYS 20 3.587 -10.112 -4.084 149 HE2 LYS 20 HE2 LYS 20 2.934 -11.186 -2.178 150 HE3 LYS 20 HE3 LYS 20 3.171 -9.756 -1.172 151 HZ1 LYS 20 HZ1 LYS 20 0.952 -9.947 -3.118 152 HZ2 LYS 20 HZ2 LYS 20 1.114 -8.886 -1.800 153 HZ3 LYS 20 HZ3 LYS 20 0.802 -10.535 -1.534 154 H LEU 21 H LEU 21 4.054 -4.449 -3.943 155 HA LEU 21 HA LEU 21 3.241 -2.831 -1.676 156 HB2 LEU 21 HB2 LEU 21 3.542 -2.469 -4.574 157 HB3 LEU 21 HB3 LEU 21 2.127 -1.659 -3.904 158 HG LEU 21 HG LEU 21 4.803 -1.428 -2.544 159 HD11 LEU 21 HD11 LEU 21 4.546 0.911 -3.956 160 HD12 LEU 21 HD12 LEU 21 3.962 -0.274 -5.126 161 HD13 LEU 21 HD13 LEU 21 5.579 -0.435 -4.437 162 HD21 LEU 21 HD21 LEU 21 2.569 0.594 -2.753 163 HD22 LEU 21 HD22 LEU 21 3.833 0.481 -1.528 164 HD23 LEU 21 HD23 LEU 21 2.523 -0.701 -1.555 165 H ILE 22 H ILE 22 1.203 -2.614 -0.877 166 HA ILE 22 HA ILE 22 -0.955 -4.074 -2.273 167 HB ILE 22 HB ILE 22 -0.590 -3.973 0.725 168 HG12 ILE 22 HG12 ILE 22 0.245 -6.018 -1.341 169 HG13 ILE 22 HG13 ILE 22 1.230 -5.287 -0.072 170 HG21 ILE 22 HG21 ILE 22 -2.902 -4.298 -0.304 171 HG22 ILE 22 HG22 ILE 22 -2.359 -5.585 0.774 172 HG23 ILE 22 HG23 ILE 22 -2.291 -5.810 -0.974 173 HD11 ILE 22 HD11 ILE 22 -0.641 -6.377 1.491 174 HD12 ILE 22 HD12 ILE 22 0.759 -7.303 0.949 175 HD13 ILE 22 HD13 ILE 22 -0.788 -7.480 0.121 176 H ASP 23 H ASP 23 -2.915 -3.119 -2.342 177 HA ASP 23 HA ASP 23 -3.106 -0.395 -1.227 178 HB2 ASP 23 HB2 ASP 23 -3.409 -0.465 -3.626 179 HB3 ASP 23 HB3 ASP 23 -4.602 -1.754 -3.481 180 H ILE 24 H ILE 24 -4.583 0.053 0.323 181 HA ILE 24 HA ILE 24 -6.688 -1.940 0.856 182 HB ILE 24 HB ILE 24 -6.294 -1.621 3.287 183 HG12 ILE 24 HG12 ILE 24 -3.582 -0.697 3.148 184 HG13 ILE 24 HG13 ILE 24 -4.608 0.474 2.319 185 HG21 ILE 24 HG21 ILE 24 -4.014 -2.657 1.586 186 HG22 ILE 24 HG22 ILE 24 -5.354 -3.583 2.262 187 HG23 ILE 24 HG23 ILE 24 -4.118 -2.915 3.327 188 HD11 ILE 24 HD11 ILE 24 -6.163 0.275 4.379 189 HD12 ILE 24 HD12 ILE 24 -4.658 1.175 4.575 190 HD13 ILE 24 HD13 ILE 24 -4.781 -0.479 5.176 191 H ARG 25 H ARG 25 -8.055 -0.446 -0.253 192 HA ARG 25 HA ARG 25 -9.227 1.504 1.540 193 HB2 ARG 25 HB2 ARG 25 -9.054 3.395 0.023 194 HB3 ARG 25 HB3 ARG 25 -7.435 2.800 0.395 195 HG2 ARG 25 HG2 ARG 25 -7.421 1.517 -1.716 196 HG3 ARG 25 HG3 ARG 25 -9.035 2.123 -2.093 197 HD2 ARG 25 HD2 ARG 25 -8.152 3.999 -2.959 198 HD3 ARG 25 HD3 ARG 25 -7.360 4.353 -1.427 199 HE ARG 25 HE ARG 25 -5.674 2.549 -2.462 200 HH11 ARG 25 HH21 ARG 25 -7.299 5.259 -3.871 201 HH12 ARG 25 HH22 ARG 25 -6.044 5.591 -5.017 202 HH21 ARG 25 HH11 ARG 25 -4.026 2.975 -3.966 203 HH22 ARG 25 HH12 ARG 25 -4.191 4.298 -5.071 204 H ASP 26 H ASP 26 -10.578 2.835 -0.735 205 HA ASP 26 HA ASP 26 -12.611 0.776 -1.176 206 HB2 ASP 26 HB2 ASP 26 -12.533 3.766 -1.379 207 HB3 ASP 26 HB3 ASP 26 -13.779 2.870 -2.247 208 H ALA 27 H ALA 27 -12.520 -0.425 -2.966 209 HA ALA 27 HA ALA 27 -10.812 -0.133 -5.103 210 HB1 ALA 27 HB1 ALA 27 -13.606 -1.205 -5.468 211 HB2 ALA 27 HB2 ALA 27 -12.386 -2.089 -4.552 212 HB3 ALA 27 HB3 ALA 27 -12.117 -1.728 -6.257 213 H ASP 28 H ASP 28 -13.883 1.455 -4.523 214 HA ASP 28 HA ASP 28 -14.484 2.436 -7.055 215 HB2 ASP 28 HB2 ASP 28 -14.779 3.908 -4.424 216 HB3 ASP 28 HB3 ASP 28 -15.655 4.252 -5.916 217 H GLU 29 H GLU 29 -12.291 3.737 -4.591 218 HA GLU 29 HA GLU 29 -11.467 5.977 -6.203 219 HB2 GLU 29 HB2 GLU 29 -10.426 4.729 -3.654 220 HB3 GLU 29 HB3 GLU 29 -9.599 6.072 -4.442 221 HG2 GLU 29 HG2 GLU 29 -12.175 6.991 -4.414 222 HG3 GLU 29 HG3 GLU 29 -12.134 6.049 -2.926 223 H TYR 30 H TYR 30 -10.417 2.700 -5.614 224 HA TYR 30 HA TYR 30 -7.870 2.918 -6.906 225 HB2 TYR 30 HB2 TYR 30 -8.869 1.098 -5.244 226 HB3 TYR 30 HB3 TYR 30 -9.334 0.320 -6.756 227 HD1 TYR 30 HD2 TYR 30 -6.397 1.947 -5.094 228 HD2 TYR 30 HD1 TYR 30 -7.771 -0.991 -7.911 229 HE1 TYR 30 HE2 TYR 30 -4.070 1.143 -5.391 230 HE2 TYR 30 HE1 TYR 30 -5.444 -1.794 -8.209 231 HH TYR 30 HH TYR 30 -2.787 -0.489 -6.253 232 H LEU 31 H LEU 31 -11.145 2.410 -7.929 233 HA LEU 31 HA LEU 31 -10.622 1.225 -10.463 234 HB2 LEU 31 HB2 LEU 31 -12.864 1.539 -9.065 235 HB3 LEU 31 HB3 LEU 31 -12.997 2.988 -10.063 236 HG LEU 31 HG LEU 31 -14.112 1.166 -11.213 237 HD11 LEU 31 HD11 LEU 31 -12.598 2.787 -12.489 238 HD12 LEU 31 HD12 LEU 31 -12.977 1.274 -13.312 239 HD13 LEU 31 HD13 LEU 31 -11.409 1.485 -12.534 240 HD21 LEU 31 HD21 LEU 31 -12.318 -0.460 -9.943 241 HD22 LEU 31 HD22 LEU 31 -11.662 -0.451 -11.581 242 HD23 LEU 31 HD23 LEU 31 -13.324 -0.973 -11.299 243 H ARG 32 H ARG 32 -11.478 4.573 -9.560 244 HA ARG 32 HA ARG 32 -11.206 5.765 -12.050 245 HB2 ARG 32 HB2 ARG 32 -10.443 6.952 -9.369 246 HB3 ARG 32 HB3 ARG 32 -10.804 7.857 -10.840 247 HG2 ARG 32 HG2 ARG 32 -13.055 6.494 -10.782 248 HG3 ARG 32 HG3 ARG 32 -12.666 6.301 -9.073 249 HD2 ARG 32 HD2 ARG 32 -13.935 8.282 -9.113 250 HD3 ARG 32 HD3 ARG 32 -12.273 8.865 -9.090 251 HE ARG 32 HE ARG 32 -12.630 9.749 -11.201 252 HH11 ARG 32 HH21 ARG 32 -14.963 7.297 -10.484 253 HH12 ARG 32 HH22 ARG 32 -15.886 7.558 -11.926 254 HH21 ARG 32 HH11 ARG 32 -13.834 10.098 -13.095 255 HH22 ARG 32 HH12 ARG 32 -15.247 9.144 -13.405 256 H GLU 33 H GLU 33 -8.809 4.387 -10.031 257 HA GLU 33 HA GLU 33 -6.753 4.719 -11.963 258 HB2 GLU 33 HB2 GLU 33 -7.030 6.809 -9.953 259 HB3 GLU 33 HB3 GLU 33 -5.458 6.017 -9.864 260 HG2 GLU 33 HG2 GLU 33 -4.848 6.677 -11.996 261 HG3 GLU 33 HG3 GLU 33 -6.512 6.766 -12.558 262 H HIS 34 H HIS 34 -5.133 3.281 -11.626 263 HA HIS 34 HA HIS 34 -4.678 2.178 -8.983 264 HB2 HIS 34 HB2 HIS 34 -5.047 -0.167 -9.759 265 HB3 HIS 34 HB3 HIS 34 -6.531 0.787 -9.708 266 HD1 HIS 34 HD1 HIS 34 -4.249 -0.995 -12.034 267 HD2 HIS 34 HD2 HIS 34 -7.486 1.615 -12.321 268 HE1 HIS 34 HE1 HIS 34 -5.019 -1.071 -14.447 269 H ILE 35 H ILE 35 -2.720 1.010 -8.826 270 HA ILE 35 HA ILE 35 -0.859 1.582 -11.020 271 HB ILE 35 HB ILE 35 0.220 0.444 -8.537 272 HG12 ILE 35 HG12 ILE 35 -1.324 3.054 -8.559 273 HG13 ILE 35 HG13 ILE 35 -1.587 1.667 -7.502 274 HG21 ILE 35 HG21 ILE 35 1.569 1.470 -10.354 275 HG22 ILE 35 HG22 ILE 35 1.782 2.318 -8.822 276 HG23 ILE 35 HG23 ILE 35 0.750 3.006 -10.075 277 HD11 ILE 35 HD11 ILE 35 0.560 3.743 -7.407 278 HD12 ILE 35 HD12 ILE 35 0.972 2.106 -6.894 279 HD13 ILE 35 HD13 ILE 35 -0.326 2.984 -6.085 280 HA PRO 36 HA PRO 36 -1.066 -2.821 -11.896 281 HB2 PRO 36 HB2 PRO 36 0.471 -2.810 -14.126 282 HB3 PRO 36 HB3 PRO 36 -1.196 -2.211 -14.102 283 HG2 PRO 36 HG2 PRO 36 1.354 -0.695 -14.093 284 HG3 PRO 36 HG3 PRO 36 -0.183 -0.318 -14.887 285 HD2 PRO 36 HD2 PRO 36 0.680 0.815 -12.494 286 HD3 PRO 36 HD3 PRO 36 -1.010 0.760 -13.042 287 H GLU 37 H GLU 37 0.568 -2.231 -9.815 288 HA GLU 37 HA GLU 37 2.737 -4.111 -10.180 289 HB2 GLU 37 HB2 GLU 37 4.490 -2.541 -9.394 290 HB3 GLU 37 HB3 GLU 37 3.826 -2.081 -10.962 291 HG2 GLU 37 HG2 GLU 37 3.805 -0.047 -9.809 292 HG3 GLU 37 HG3 GLU 37 2.164 -0.637 -9.552 293 H ALA 38 H ALA 38 0.254 -3.421 -8.517 294 HA ALA 38 HA ALA 38 1.431 -4.224 -5.957 295 HB1 ALA 38 HB1 ALA 38 -0.571 -1.966 -6.122 296 HB2 ALA 38 HB2 ALA 38 1.167 -1.711 -5.966 297 HB3 ALA 38 HB3 ALA 38 0.280 -2.546 -4.690 298 H ASP 39 H ASP 39 -0.031 -5.315 -4.581 299 HA ASP 39 HA ASP 39 -2.202 -6.621 -6.007 300 HB2 ASP 39 HB2 ASP 39 -0.750 -8.003 -4.642 301 HB3 ASP 39 HB3 ASP 39 -1.080 -7.010 -3.224 302 H LEU 40 H LEU 40 -4.254 -5.985 -5.924 303 HA LEU 40 HA LEU 40 -5.048 -3.854 -4.122 304 HB2 LEU 40 HB2 LEU 40 -5.793 -3.863 -6.474 305 HB3 LEU 40 HB3 LEU 40 -6.651 -5.377 -6.190 306 HG LEU 40 HG LEU 40 -7.965 -4.223 -4.389 307 HD11 LEU 40 HD11 LEU 40 -6.166 -2.012 -5.245 308 HD12 LEU 40 HD12 LEU 40 -6.859 -2.347 -3.659 309 HD13 LEU 40 HD13 LEU 40 -7.841 -1.579 -4.907 310 HD21 LEU 40 HD21 LEU 40 -9.240 -2.726 -6.064 311 HD22 LEU 40 HD22 LEU 40 -9.079 -4.434 -6.474 312 HD23 LEU 40 HD23 LEU 40 -8.035 -3.239 -7.246 313 H ALA 41 H ALA 41 -5.761 -4.243 -2.128 314 HA ALA 41 HA ALA 41 -7.634 -6.436 -1.668 315 HB1 ALA 41 HB1 ALA 41 -6.369 -7.282 0.270 316 HB2 ALA 41 HB2 ALA 41 -5.056 -6.166 -0.105 317 HB3 ALA 41 HB3 ALA 41 -5.451 -7.468 -1.225 318 HA PRO 42 HA PRO 42 -9.058 -2.499 0.241 319 HB2 PRO 42 HB2 PRO 42 -11.334 -4.409 0.623 320 HB3 PRO 42 HB3 PRO 42 -11.363 -2.706 0.124 321 HG2 PRO 42 HG2 PRO 42 -11.677 -4.659 -1.649 322 HG3 PRO 42 HG3 PRO 42 -10.759 -3.197 -2.046 323 HD2 PRO 42 HD2 PRO 42 -9.758 -5.951 -1.502 324 HD3 PRO 42 HD3 PRO 42 -9.054 -4.672 -2.518 325 H LEU 43 H LEU 43 -8.496 -2.009 2.268 326 HA LEU 43 HA LEU 43 -7.549 -3.515 4.267 327 HB2 LEU 43 HB2 LEU 43 -8.384 -0.929 4.112 328 HB3 LEU 43 HB3 LEU 43 -9.562 -1.591 5.247 329 HG LEU 43 HG LEU 43 -6.562 -1.716 5.470 330 HD11 LEU 43 HD11 LEU 43 -8.615 0.065 6.487 331 HD12 LEU 43 HD12 LEU 43 -6.861 0.221 6.592 332 HD13 LEU 43 HD13 LEU 43 -7.739 -0.705 7.810 333 HD21 LEU 43 HD21 LEU 43 -7.126 -3.751 6.411 334 HD22 LEU 43 HD22 LEU 43 -8.751 -3.213 6.836 335 HD23 LEU 43 HD23 LEU 43 -7.373 -2.705 7.811 336 H SER 44 H SER 44 -10.963 -2.625 4.167 337 HA SER 44 HA SER 44 -11.999 -4.150 6.166 338 HB2 SER 44 HB2 SER 44 -13.162 -3.533 3.455 339 HB3 SER 44 HB3 SER 44 -14.085 -4.342 4.718 340 HG SER 44 HG SER 44 -12.869 -2.267 5.814 341 H VAL 45 H VAL 45 -10.865 -5.317 3.058 342 HA VAL 45 HA VAL 45 -12.053 -7.925 3.332 343 HB VAL 45 HB VAL 45 -11.063 -6.542 1.211 344 HG11 VAL 45 HG11 VAL 45 -9.038 -7.615 0.419 345 HG12 VAL 45 HG12 VAL 45 -9.010 -8.689 1.818 346 HG13 VAL 45 HG13 VAL 45 -8.719 -6.962 2.025 347 HG21 VAL 45 HG21 VAL 45 -11.391 -9.531 1.586 348 HG22 VAL 45 HG22 VAL 45 -11.207 -8.762 0.009 349 HG23 VAL 45 HG23 VAL 45 -12.606 -8.388 1.016 350 H LEU 46 H LEU 46 -8.821 -6.554 3.861 351 HA LEU 46 HA LEU 46 -7.694 -9.086 4.658 352 HB2 LEU 46 HB2 LEU 46 -6.440 -7.101 3.627 353 HB3 LEU 46 HB3 LEU 46 -6.515 -6.373 5.232 354 HG LEU 46 HG LEU 46 -5.595 -8.709 6.019 355 HD11 LEU 46 HD11 LEU 46 -4.815 -10.120 4.434 356 HD12 LEU 46 HD12 LEU 46 -4.039 -8.810 3.543 357 HD13 LEU 46 HD13 LEU 46 -5.748 -9.163 3.282 358 HD21 LEU 46 HD21 LEU 46 -3.227 -7.833 5.439 359 HD22 LEU 46 HD22 LEU 46 -4.270 -6.781 6.396 360 HD23 LEU 46 HD23 LEU 46 -4.063 -6.483 4.671 361 H GLU 47 H GLU 47 -9.462 -6.570 6.204 362 HA GLU 47 HA GLU 47 -8.488 -7.111 8.871 363 HB2 GLU 47 HB2 GLU 47 -9.429 -4.890 8.060 364 HB3 GLU 47 HB3 GLU 47 -11.021 -5.643 8.136 365 HG2 GLU 47 HG2 GLU 47 -9.564 -6.198 10.566 366 HG3 GLU 47 HG3 GLU 47 -9.580 -4.461 10.263 367 H GLN 48 H GLN 48 -11.320 -7.974 6.933 368 HA GLN 48 HA GLN 48 -12.448 -9.519 9.141 369 HB2 GLN 48 HB2 GLN 48 -13.445 -9.117 6.311 370 HB3 GLN 48 HB3 GLN 48 -14.329 -9.913 7.613 371 HG2 GLN 48 HG2 GLN 48 -13.280 -7.109 7.952 372 HG3 GLN 48 HG3 GLN 48 -14.825 -7.406 7.156 373 HE21 GLN 48 HE21 GLN 48 -15.861 -9.526 8.676 374 HE22 GLN 48 HE22 GLN 48 -16.086 -9.015 10.280 375 H SER 49 H SER 49 -10.971 -10.030 5.968 376 HA SER 49 HA SER 49 -11.360 -12.869 5.964 377 HB2 SER 49 HB2 SER 49 -10.998 -11.437 3.913 378 HB3 SER 49 HB3 SER 49 -9.309 -11.302 4.392 379 HG SER 49 HG SER 49 -10.531 -13.291 3.106 380 H GLY 50 H GLY 50 -8.226 -11.227 5.810 381 HA2 GLY 50 HA2 GLY 50 -6.510 -11.406 7.484 382 HA3 GLY 50 HA3 GLY 50 -7.262 -12.895 8.041 383 H LEU 51 H LEU 51 -5.562 -11.464 5.282 384 HA LEU 51 HA LEU 51 -4.395 -14.124 4.724 385 HB2 LEU 51 HB2 LEU 51 -6.095 -13.376 3.015 386 HB3 LEU 51 HB3 LEU 51 -5.017 -12.033 2.634 387 HG LEU 51 HG LEU 51 -3.223 -14.000 2.465 388 HD11 LEU 51 HD11 LEU 51 -5.582 -15.449 1.333 389 HD12 LEU 51 HD12 LEU 51 -5.299 -15.557 3.071 390 HD13 LEU 51 HD13 LEU 51 -4.056 -16.093 1.940 391 HD21 LEU 51 HD21 LEU 51 -5.271 -13.172 0.394 392 HD22 LEU 51 HD22 LEU 51 -3.862 -14.156 -0.000 393 HD23 LEU 51 HD23 LEU 51 -3.648 -12.522 0.625 394 HA PRO 52 HA PRO 52 -0.967 -11.258 5.806 395 HB2 PRO 52 HB2 PRO 52 0.410 -13.858 6.141 396 HB3 PRO 52 HB3 PRO 52 0.278 -12.497 7.270 397 HG2 PRO 52 HG2 PRO 52 -1.062 -14.792 7.624 398 HG3 PRO 52 HG3 PRO 52 -1.712 -13.222 8.124 399 HD2 PRO 52 HD2 PRO 52 -2.462 -14.909 5.773 400 HD3 PRO 52 HD3 PRO 52 -3.473 -13.830 6.759 401 H ALA 53 H ALA 53 -0.941 -10.679 3.506 402 HA ALA 53 HA ALA 53 0.006 -12.132 1.382 403 HB1 ALA 53 HB1 ALA 53 1.149 -9.787 0.787 404 HB2 ALA 53 HB2 ALA 53 0.129 -9.250 2.122 405 HB3 ALA 53 HB3 ALA 53 -0.598 -10.020 0.712 406 H LYS 54 H LYS 54 1.710 -11.149 4.191 407 HA LYS 54 HA LYS 54 4.362 -11.098 3.251 408 HB2 LYS 54 HB2 LYS 54 4.317 -10.344 5.407 409 HB3 LYS 54 HB3 LYS 54 3.009 -11.429 5.871 410 HG2 LYS 54 HG2 LYS 54 4.540 -13.307 6.014 411 HG3 LYS 54 HG3 LYS 54 5.861 -12.330 5.369 412 HD2 LYS 54 HD2 LYS 54 5.307 -10.760 7.409 413 HD3 LYS 54 HD3 LYS 54 4.567 -12.216 8.076 414 HE2 LYS 54 HE2 LYS 54 6.622 -13.427 7.973 415 HE3 LYS 54 HE3 LYS 54 7.378 -12.194 6.963 416 HZ1 LYS 54 HZ1 LYS 54 6.345 -11.265 9.505 417 HZ2 LYS 54 HZ2 LYS 54 7.801 -10.886 8.717 418 HZ3 LYS 54 HZ3 LYS 54 7.663 -12.326 9.607 419 H LEU 55 H LEU 55 2.125 -13.643 3.477 420 HA LEU 55 HA LEU 55 4.008 -15.789 3.874 421 HB2 LEU 55 HB2 LEU 55 1.125 -15.698 2.978 422 HB3 LEU 55 HB3 LEU 55 2.040 -17.200 3.111 423 HG LEU 55 HG LEU 55 2.005 -15.295 5.429 424 HD11 LEU 55 HD11 LEU 55 -0.349 -15.527 4.888 425 HD12 LEU 55 HD12 LEU 55 0.001 -16.541 6.287 426 HD13 LEU 55 HD13 LEU 55 -0.172 -17.270 4.691 427 HD21 LEU 55 HD21 LEU 55 3.494 -17.156 5.647 428 HD22 LEU 55 HD22 LEU 55 2.288 -18.281 5.021 429 HD23 LEU 55 HD23 LEU 55 2.077 -17.559 6.617 430 H ARG 56 H ARG 56 3.167 -13.806 1.257 431 HA ARG 56 HA ARG 56 4.201 -15.795 -0.669 432 HB2 ARG 56 HB2 ARG 56 2.865 -13.406 -1.750 433 HB3 ARG 56 HB3 ARG 56 2.682 -15.102 -2.198 434 HG2 ARG 56 HG2 ARG 56 1.334 -15.474 -0.138 435 HG3 ARG 56 HG3 ARG 56 1.462 -13.752 0.229 436 HD2 ARG 56 HD2 ARG 56 -0.604 -13.902 -0.882 437 HD3 ARG 56 HD3 ARG 56 0.501 -13.395 -2.157 438 HE ARG 56 HE ARG 56 0.446 -16.197 -2.155 439 HH11 ARG 56 HH21 ARG 56 -1.653 -13.502 -2.693 440 HH12 ARG 56 HH22 ARG 56 -2.662 -14.337 -3.827 441 HH21 ARG 56 HH11 ARG 56 -0.871 -17.298 -3.640 442 HH22 ARG 56 HH12 ARG 56 -2.220 -16.486 -4.363 443 H HIS 57 H HIS 57 5.656 -13.840 1.130 444 HA HIS 57 HA HIS 57 7.719 -13.145 -0.643 445 HB2 HIS 57 HB2 HIS 57 5.570 -11.370 -0.859 446 HB3 HIS 57 HB3 HIS 57 6.740 -10.531 0.155 447 HD1 HIS 57 HD1 HIS 57 6.097 -11.572 -3.324 448 HD2 HIS 57 HD2 HIS 57 9.375 -10.261 -1.107 449 HE1 HIS 57 HE1 HIS 57 7.880 -10.923 -5.000 450 H GLU 58 H GLU 58 8.827 -10.950 0.503 451 HA GLU 58 HA GLU 58 9.115 -11.716 3.349 452 HB2 GLU 58 HB2 GLU 58 11.053 -11.909 1.401 453 HB3 GLU 58 HB3 GLU 58 11.396 -10.336 2.123 454 HG2 GLU 58 HG2 GLU 58 11.367 -11.393 4.375 455 HG3 GLU 58 HG3 GLU 58 11.113 -12.961 3.612 456 H GLN 59 H GLN 59 9.006 -9.138 0.972 457 HA GLN 59 HA GLN 59 8.845 -7.157 3.162 458 HB2 GLN 59 HB2 GLN 59 10.703 -6.895 1.459 459 HB3 GLN 59 HB3 GLN 59 9.451 -6.601 0.252 460 HG2 GLN 59 HG2 GLN 59 8.568 -4.792 1.841 461 HG3 GLN 59 HG3 GLN 59 10.097 -4.958 2.701 462 HE21 GLN 59 HE21 GLN 59 11.894 -5.321 0.553 463 HE22 GLN 59 HE22 GLN 59 11.896 -3.924 -0.412 464 H ILE 60 H ILE 60 6.995 -6.023 3.403 465 HA ILE 60 HA ILE 60 4.998 -6.145 1.234 466 HB ILE 60 HB ILE 60 4.056 -6.269 4.056 467 HG12 ILE 60 HG12 ILE 60 4.154 -8.868 3.654 468 HG13 ILE 60 HG13 ILE 60 5.494 -8.458 2.582 469 HG21 ILE 60 HG21 ILE 60 3.031 -7.935 1.800 470 HG22 ILE 60 HG22 ILE 60 2.769 -6.193 1.710 471 HG23 ILE 60 HG23 ILE 60 2.140 -7.110 3.079 472 HD11 ILE 60 HD11 ILE 60 6.713 -8.621 4.511 473 HD12 ILE 60 HD12 ILE 60 5.320 -8.289 5.540 474 HD13 ILE 60 HD13 ILE 60 6.160 -6.962 4.737 475 H ILE 61 H ILE 61 4.425 -4.173 0.646 476 HA ILE 61 HA ILE 61 4.536 -1.998 2.649 477 HB ILE 61 HB ILE 61 4.647 -1.547 -0.322 478 HG12 ILE 61 HG12 ILE 61 7.011 -2.068 1.511 479 HG13 ILE 61 HG13 ILE 61 6.432 -3.181 0.272 480 HG21 ILE 61 HG21 ILE 61 4.258 0.362 1.207 481 HG22 ILE 61 HG22 ILE 61 5.821 0.494 0.399 482 HG23 ILE 61 HG23 ILE 61 5.737 -0.042 2.077 483 HD11 ILE 61 HD11 ILE 61 7.129 -1.814 -1.478 484 HD12 ILE 61 HD12 ILE 61 8.388 -1.500 -0.284 485 HD13 ILE 61 HD13 ILE 61 7.067 -0.352 -0.495 486 H PHE 62 H PHE 62 2.838 -0.481 2.672 487 HA PHE 62 HA PHE 62 0.458 -1.216 1.082 488 HB2 PHE 62 HB2 PHE 62 0.550 -0.527 4.028 489 HB3 PHE 62 HB3 PHE 62 -0.930 -0.684 3.081 490 HD1 PHE 62 HD1 PHE 62 2.214 -2.563 3.887 491 HD2 PHE 62 HD2 PHE 62 -1.964 -2.774 2.919 492 HE1 PHE 62 HE1 PHE 62 2.260 -5.020 4.221 493 HE2 PHE 62 HE2 PHE 62 -1.919 -5.231 3.253 494 HZ PHE 62 HZ PHE 62 0.193 -6.354 3.905 495 H HIS 63 H HIS 63 -0.969 0.504 0.593 496 HA HIS 63 HA HIS 63 -0.254 3.210 1.383 497 HB2 HIS 63 HB2 HIS 63 -0.159 3.903 -1.079 498 HB3 HIS 63 HB3 HIS 63 1.253 3.067 -0.434 499 HD1 HIS 63 HD1 HIS 63 0.576 0.185 -0.586 500 HD2 HIS 63 HD2 HIS 63 -0.594 2.831 -3.587 501 HE1 HIS 63 HE1 HIS 63 0.159 -1.217 -2.655 502 H CYS 64 H CYS 64 -2.000 4.486 1.450 503 HA CYS 64 HA CYS 64 -4.467 3.507 0.149 504 HB2 CYS 64 HB2 CYS 64 -5.710 4.037 1.996 505 HB3 CYS 64 HB3 CYS 64 -4.181 3.684 2.793 506 HG CYS 64 HG CYS 64 -4.353 6.611 2.004 507 H GLN 65 H GLN 65 -5.942 5.092 -0.612 508 HA GLN 65 HA GLN 65 -5.293 6.874 -2.403 509 HB2 GLN 65 HB2 GLN 65 -7.612 6.548 -1.496 510 HB3 GLN 65 HB3 GLN 65 -7.219 7.710 -0.228 511 HG2 GLN 65 HG2 GLN 65 -6.888 8.353 -3.163 512 HG3 GLN 65 HG3 GLN 65 -8.393 8.654 -2.297 513 HE21 GLN 65 HE21 GLN 65 -8.381 10.317 -0.614 514 HE22 GLN 65 HE22 GLN 65 -7.114 11.441 -0.502 515 H ALA 66 H ALA 66 -5.475 8.012 0.990 516 HA ALA 66 HA ALA 66 -3.474 10.075 0.279 517 HB1 ALA 66 HB1 ALA 66 -5.757 10.128 2.255 518 HB2 ALA 66 HB2 ALA 66 -5.508 11.173 0.856 519 HB3 ALA 66 HB3 ALA 66 -4.456 11.320 2.265 520 H GLY 67 H GLY 67 -3.207 7.228 1.362 521 HA2 GLY 67 HA2 GLY 67 -1.778 6.132 2.794 522 HA3 GLY 67 HA3 GLY 67 -0.999 7.688 3.064 523 H LYS 68 H LYS 68 -4.259 7.969 3.713 524 HA LYS 68 HA LYS 68 -3.835 8.312 6.515 525 HB2 LYS 68 HB2 LYS 68 -5.767 9.096 4.675 526 HB3 LYS 68 HB3 LYS 68 -6.621 7.976 5.737 527 HG2 LYS 68 HG2 LYS 68 -6.821 10.133 6.756 528 HG3 LYS 68 HG3 LYS 68 -5.609 9.259 7.694 529 HD2 LYS 68 HD2 LYS 68 -4.208 10.985 7.315 530 HD3 LYS 68 HD3 LYS 68 -4.159 10.476 5.628 531 HE2 LYS 68 HE2 LYS 68 -6.159 12.412 6.834 532 HE3 LYS 68 HE3 LYS 68 -4.802 12.847 5.794 533 HZ1 LYS 68 HZ1 LYS 68 -7.355 12.056 5.025 534 HZ2 LYS 68 HZ2 LYS 68 -6.299 10.806 4.569 535 HZ3 LYS 68 HZ3 LYS 68 -6.027 12.392 4.026 536 H ARG 69 H ARG 69 -5.866 5.985 4.710 537 HA ARG 69 HA ARG 69 -6.506 4.377 6.932 538 HB2 ARG 69 HB2 ARG 69 -7.175 4.421 4.239 539 HB3 ARG 69 HB3 ARG 69 -6.309 2.895 4.426 540 HG2 ARG 69 HG2 ARG 69 -7.768 2.313 6.344 541 HG3 ARG 69 HG3 ARG 69 -8.651 3.823 6.116 542 HD2 ARG 69 HD2 ARG 69 -8.346 2.014 3.758 543 HD3 ARG 69 HD3 ARG 69 -9.491 1.546 5.011 544 HE ARG 69 HE ARG 69 -9.854 4.279 4.267 545 HH11 ARG 69 HH21 ARG 69 -10.389 1.007 3.268 546 HH12 ARG 69 HH22 ARG 69 -11.781 1.383 2.309 547 HH21 ARG 69 HH11 ARG 69 -11.679 4.777 3.016 548 HH22 ARG 69 HH12 ARG 69 -12.513 3.519 2.167 549 H THR 70 H THR 70 -3.647 4.602 5.001 550 HA THR 70 HA THR 70 -2.565 2.024 5.437 551 HB THR 70 HB THR 70 -1.114 4.650 5.027 552 HG1 THR 70 HG1 THR 70 -1.961 2.657 3.196 553 HG21 THR 70 HG21 THR 70 0.094 2.221 3.967 554 HG22 THR 70 HG22 THR 70 -0.102 2.146 5.719 555 HG23 THR 70 HG23 THR 70 0.806 3.471 4.990 556 H SER 71 H SER 71 -1.738 5.104 7.047 557 HA SER 71 HA SER 71 -0.136 4.012 9.058 558 HB2 SER 71 HB2 SER 71 -0.043 6.135 9.882 559 HB3 SER 71 HB3 SER 71 -0.790 6.526 8.336 560 HG SER 71 HG SER 71 -2.777 5.850 9.816 561 H ASN 72 H ASN 72 -3.542 3.898 8.654 562 HA ASN 72 HA ASN 72 -4.176 3.503 11.447 563 HB2 ASN 72 HB2 ASN 72 -5.665 4.299 9.340 564 HB3 ASN 72 HB3 ASN 72 -6.072 2.585 9.362 565 HD21 ASN 72 HD21 ASN 72 -8.131 2.593 10.352 566 HD22 ASN 72 HD22 ASN 72 -8.444 3.276 11.874 567 H ASN 73 H ASN 73 -3.871 1.454 8.558 568 HA ASN 73 HA ASN 73 -4.351 -0.961 10.106 569 HB2 ASN 73 HB2 ASN 73 -4.861 -0.382 7.533 570 HB3 ASN 73 HB3 ASN 73 -3.266 -1.108 7.344 571 HD21 ASN 73 HD21 ASN 73 -3.921 -3.142 6.469 572 HD22 ASN 73 HD22 ASN 73 -4.891 -4.243 7.322 573 H ALA 74 H ALA 74 -1.699 1.014 9.248 574 HA ALA 74 HA ALA 74 0.439 -0.675 8.926 575 HB1 ALA 74 HB1 ALA 74 1.632 1.123 10.469 576 HB2 ALA 74 HB2 ALA 74 0.104 1.976 10.259 577 HB3 ALA 74 HB3 ALA 74 1.071 1.541 8.851 578 H ASP 75 H ASP 75 -1.491 -0.173 11.772 579 HA ASP 75 HA ASP 75 0.394 -1.509 13.537 580 HB2 ASP 75 HB2 ASP 75 -2.479 -0.801 14.133 581 HB3 ASP 75 HB3 ASP 75 -1.165 -1.057 15.279 582 H LYS 76 H LYS 76 -2.645 -2.223 11.880 583 HA LYS 76 HA LYS 76 -2.938 -4.820 13.099 584 HB2 LYS 76 HB2 LYS 76 -4.379 -3.228 11.037 585 HB3 LYS 76 HB3 LYS 76 -4.577 -4.980 10.992 586 HG2 LYS 76 HG2 LYS 76 -4.774 -3.724 13.674 587 HG3 LYS 76 HG3 LYS 76 -6.090 -3.364 12.556 588 HD2 LYS 76 HD2 LYS 76 -6.266 -5.856 12.119 589 HD3 LYS 76 HD3 LYS 76 -5.143 -6.096 13.458 590 HE2 LYS 76 HE2 LYS 76 -7.408 -4.302 14.065 591 HE3 LYS 76 HE3 LYS 76 -7.861 -5.975 13.742 592 HZ1 LYS 76 HZ1 LYS 76 -5.577 -5.472 15.504 593 HZ2 LYS 76 HZ2 LYS 76 -6.711 -6.738 15.533 594 HZ3 LYS 76 HZ3 LYS 76 -7.133 -5.201 16.122 595 H LEU 77 H LEU 77 -1.423 -3.508 10.245 596 HA LEU 77 HA LEU 77 -1.186 -5.939 8.787 597 HB2 LEU 77 HB2 LEU 77 0.438 -3.388 8.680 598 HB3 LEU 77 HB3 LEU 77 0.572 -4.709 7.517 599 HG LEU 77 HG LEU 77 -2.019 -3.266 8.133 600 HD11 LEU 77 HD11 LEU 77 0.183 -2.710 6.187 601 HD12 LEU 77 HD12 LEU 77 -0.882 -1.583 7.030 602 HD13 LEU 77 HD13 LEU 77 -1.479 -2.487 5.639 603 HD21 LEU 77 HD21 LEU 77 -2.865 -5.059 7.044 604 HD22 LEU 77 HD22 LEU 77 -1.257 -5.626 6.591 605 HD23 LEU 77 HD23 LEU 77 -2.084 -4.428 5.595 606 H ALA 78 H ALA 78 1.176 -4.138 10.776 607 HA ALA 78 HA ALA 78 3.342 -5.805 10.639 608 HB1 ALA 78 HB1 ALA 78 2.665 -4.898 13.377 609 HB2 ALA 78 HB2 ALA 78 2.739 -3.640 12.142 610 HB3 ALA 78 HB3 ALA 78 4.142 -4.665 12.443 611 H ALA 79 H ALA 79 0.739 -6.069 13.073 612 HA ALA 79 HA ALA 79 1.568 -8.433 14.278 613 HB1 ALA 79 HB1 ALA 79 -0.892 -8.776 14.784 614 HB2 ALA 79 HB2 ALA 79 -1.213 -7.348 13.799 615 HB3 ALA 79 HB3 ALA 79 -0.239 -7.209 15.263 616 H ILE 80 H ILE 80 -0.205 -7.911 11.288 617 HA ILE 80 HA ILE 80 -0.746 -10.712 10.853 618 HB ILE 80 HB ILE 80 -1.063 -8.209 9.211 619 HG12 ILE 80 HG12 ILE 80 -3.000 -10.351 10.151 620 HG13 ILE 80 HG13 ILE 80 -2.741 -8.804 10.958 621 HG21 ILE 80 HG21 ILE 80 -2.169 -9.840 7.534 622 HG22 ILE 80 HG22 ILE 80 -1.216 -11.092 8.330 623 HG23 ILE 80 HG23 ILE 80 -0.408 -9.742 7.533 624 HD11 ILE 80 HD11 ILE 80 -3.765 -9.208 8.134 625 HD12 ILE 80 HD12 ILE 80 -3.399 -7.639 8.851 626 HD13 ILE 80 HD13 ILE 80 -4.698 -8.631 9.514 627 H ALA 81 H ALA 81 1.893 -8.598 10.372 628 HA ALA 81 HA ALA 81 3.230 -10.609 8.676 629 HB1 ALA 81 HB1 ALA 81 3.853 -9.019 7.216 630 HB2 ALA 81 HB2 ALA 81 4.423 -7.970 8.514 631 HB3 ALA 81 HB3 ALA 81 2.727 -7.934 8.030 632 H ALA 82 H ALA 82 4.374 -11.710 10.194 633 HA ALA 82 HA ALA 82 5.398 -10.980 12.585 634 HB1 ALA 82 HB1 ALA 82 7.478 -12.442 11.280 635 HB2 ALA 82 HB2 ALA 82 5.924 -13.052 10.709 636 HB3 ALA 82 HB3 ALA 82 6.282 -13.030 12.435 637 HA PRO 83 HA PRO 83 8.571 -8.019 12.520 638 HB2 PRO 83 HB2 PRO 83 10.675 -10.043 13.092 639 HB3 PRO 83 HB3 PRO 83 10.241 -8.575 13.983 640 HG2 PRO 83 HG2 PRO 83 9.597 -11.037 14.841 641 HG3 PRO 83 HG3 PRO 83 8.605 -9.609 15.171 642 HD2 PRO 83 HD2 PRO 83 8.085 -11.859 13.309 643 HD3 PRO 83 HD3 PRO 83 6.939 -10.762 14.109 644 H ALA 84 H ALA 84 8.076 -8.348 10.038 645 HA ALA 84 HA ALA 84 10.525 -9.179 8.616 646 HB1 ALA 84 HB1 ALA 84 7.681 -9.339 8.030 647 HB2 ALA 84 HB2 ALA 84 9.031 -10.172 7.259 648 HB3 ALA 84 HB3 ALA 84 8.570 -8.555 6.726 649 H GLU 85 H GLU 85 10.280 -7.720 6.314 650 HA GLU 85 HA GLU 85 10.961 -5.035 7.267 651 HB2 GLU 85 HB2 GLU 85 11.338 -5.126 4.500 652 HB3 GLU 85 HB3 GLU 85 12.582 -5.314 5.736 653 HG2 GLU 85 HG2 GLU 85 12.125 -7.750 5.808 654 HG3 GLU 85 HG3 GLU 85 10.928 -7.548 4.529 655 H ILE 86 H ILE 86 9.062 -3.948 7.603 656 HA ILE 86 HA ILE 86 7.183 -3.815 5.325 657 HB ILE 86 HB ILE 86 6.347 -2.793 7.982 658 HG12 ILE 86 HG12 ILE 86 6.782 -5.736 7.380 659 HG13 ILE 86 HG13 ILE 86 7.528 -4.803 8.679 660 HG21 ILE 86 HG21 ILE 86 4.250 -3.905 7.288 661 HG22 ILE 86 HG22 ILE 86 5.073 -4.567 5.875 662 HG23 ILE 86 HG23 ILE 86 4.846 -2.825 6.027 663 HD11 ILE 86 HD11 ILE 86 5.101 -4.300 9.431 664 HD12 ILE 86 HD12 ILE 86 5.742 -5.912 9.749 665 HD13 ILE 86 HD13 ILE 86 4.649 -5.649 8.389 666 H PHE 87 H PHE 87 6.757 -1.903 4.393 667 HA PHE 87 HA PHE 87 7.953 0.516 5.605 668 HB2 PHE 87 HB2 PHE 87 7.862 -0.257 2.678 669 HB3 PHE 87 HB3 PHE 87 8.404 1.306 3.291 670 HD1 PHE 87 HD1 PHE 87 10.207 1.145 5.258 671 HD2 PHE 87 HD2 PHE 87 9.471 -1.906 2.326 672 HE1 PHE 87 HE1 PHE 87 12.464 0.204 5.669 673 HE2 PHE 87 HE2 PHE 87 11.728 -2.847 2.736 674 HZ PHE 87 HZ PHE 87 13.226 -1.791 4.409 675 H LEU 88 H LEU 88 6.958 2.559 4.651 676 HA LEU 88 HA LEU 88 4.121 2.161 3.951 677 HB2 LEU 88 HB2 LEU 88 5.094 4.054 6.103 678 HB3 LEU 88 HB3 LEU 88 3.427 3.854 5.566 679 HG LEU 88 HG LEU 88 5.054 1.539 6.624 680 HD11 LEU 88 HD11 LEU 88 3.628 3.725 8.074 681 HD12 LEU 88 HD12 LEU 88 5.046 2.795 8.559 682 HD13 LEU 88 HD13 LEU 88 3.438 2.083 8.687 683 HD21 LEU 88 HD21 LEU 88 2.117 2.104 6.156 684 HD22 LEU 88 HD22 LEU 88 2.677 0.742 7.127 685 HD23 LEU 88 HD23 LEU 88 3.105 0.843 5.419 686 H LEU 89 H LEU 89 3.401 3.498 2.408 687 HA LEU 89 HA LEU 89 5.274 5.443 1.296 688 HB2 LEU 89 HB2 LEU 89 3.978 3.795 -0.122 689 HB3 LEU 89 HB3 LEU 89 2.526 4.715 0.272 690 HG LEU 89 HG LEU 89 4.782 6.375 -0.633 691 HD11 LEU 89 HD11 LEU 89 4.544 5.752 -3.001 692 HD12 LEU 89 HD12 LEU 89 3.426 4.461 -2.558 693 HD13 LEU 89 HD13 LEU 89 5.116 4.375 -2.059 694 HD21 LEU 89 HD21 LEU 89 3.047 7.573 -1.718 695 HD22 LEU 89 HD22 LEU 89 2.300 6.977 -0.235 696 HD23 LEU 89 HD23 LEU 89 1.991 6.160 -1.768 697 H GLU 90 H GLU 90 5.273 7.281 2.511 698 HA GLU 90 HA GLU 90 3.043 8.405 3.810 699 HB2 GLU 90 HB2 GLU 90 5.264 9.079 4.456 700 HB3 GLU 90 HB3 GLU 90 5.609 9.671 2.830 701 HG2 GLU 90 HG2 GLU 90 3.846 11.373 3.062 702 HG3 GLU 90 HG3 GLU 90 3.472 10.775 4.677 703 H ASP 91 H ASP 91 1.710 10.159 3.263 704 HA ASP 91 HA ASP 91 0.578 11.633 1.885 705 HB2 ASP 91 HB2 ASP 91 2.978 11.881 0.846 706 HB3 ASP 91 HB3 ASP 91 2.301 10.904 -0.455 707 H GLY 92 H GLY 92 1.645 8.632 0.298 708 HA2 GLY 92 HA2 GLY 92 0.077 6.877 -0.216 709 HA3 GLY 92 HA3 GLY 92 -1.169 8.106 -0.421 710 H ILE 93 H ILE 93 -1.447 6.820 -2.483 711 HA ILE 93 HA ILE 93 0.383 6.705 -4.557 712 HB ILE 93 HB ILE 93 -1.660 5.585 -4.908 713 HG12 ILE 93 HG12 ILE 93 -1.912 8.099 -6.585 714 HG13 ILE 93 HG13 ILE 93 -0.740 6.824 -6.915 715 HG21 ILE 93 HG21 ILE 93 -3.828 6.993 -5.005 716 HG22 ILE 93 HG22 ILE 93 -2.898 8.236 -4.166 717 HG23 ILE 93 HG23 ILE 93 -3.146 6.661 -3.413 718 HD11 ILE 93 HD11 ILE 93 -3.358 5.671 -6.514 719 HD12 ILE 93 HD12 ILE 93 -2.310 5.571 -7.929 720 HD13 ILE 93 HD13 ILE 93 -3.433 6.920 -7.756 721 H ASP 94 H ASP 94 -1.146 9.458 -3.178 722 HA ASP 94 HA ASP 94 -1.148 11.253 -5.330 723 HB2 ASP 94 HB2 ASP 94 -0.806 11.647 -2.360 724 HB3 ASP 94 HB3 ASP 94 -0.837 13.001 -3.488 725 H GLY 95 H GLY 95 1.440 10.082 -3.289 726 HA2 GLY 95 HA2 GLY 95 3.373 12.047 -4.118 727 HA3 GLY 95 HA3 GLY 95 3.705 10.563 -3.229 728 H TRP 96 H TRP 96 2.809 8.607 -4.869 729 HA TRP 96 HA TRP 96 4.864 8.194 -6.688 730 HB2 TRP 96 HB2 TRP 96 3.615 6.296 -6.069 731 HB3 TRP 96 HB3 TRP 96 2.081 7.059 -6.478 732 HD1 TRP 96 HD1 TRP 96 1.852 7.698 -9.218 733 HE1 TRP 96 HE1 TRP 96 2.494 6.208 -11.222 734 HE3 TRP 96 HE3 TRP 96 5.075 4.465 -6.923 735 HZ2 TRP 96 HZ2 TRP 96 4.154 3.947 -11.780 736 HZ3 TRP 96 HZ3 TRP 96 6.169 2.654 -8.215 737 HH2 TRP 96 HH2 TRP 96 5.713 2.392 -10.637 738 H LYS 97 H LYS 97 1.696 9.669 -7.168 739 HA LYS 97 HA LYS 97 1.929 9.938 -10.002 740 HB2 LYS 97 HB2 LYS 97 -0.272 10.030 -9.132 741 HB3 LYS 97 HB3 LYS 97 0.169 11.245 -7.930 742 HG2 LYS 97 HG2 LYS 97 0.304 12.961 -9.526 743 HG3 LYS 97 HG3 LYS 97 0.485 11.829 -10.867 744 HD2 LYS 97 HD2 LYS 97 -1.756 12.651 -11.004 745 HD3 LYS 97 HD3 LYS 97 -1.878 11.025 -10.333 746 HE2 LYS 97 HE2 LYS 97 -2.810 11.814 -8.442 747 HE3 LYS 97 HE3 LYS 97 -1.480 12.947 -8.208 748 HZ1 LYS 97 HZ1 LYS 97 -3.739 13.412 -10.073 749 HZ2 LYS 97 HZ2 LYS 97 -2.533 14.521 -9.626 750 HZ3 LYS 97 HZ3 LYS 97 -3.686 14.010 -8.488 751 H ARG 98 H ARG 98 2.704 11.997 -7.240 752 HA ARG 98 HA ARG 98 3.436 14.265 -8.863 753 HB2 ARG 98 HB2 ARG 98 3.984 13.652 -5.948 754 HB3 ARG 98 HB3 ARG 98 4.267 15.206 -6.734 755 HG2 ARG 98 HG2 ARG 98 1.552 13.964 -6.965 756 HG3 ARG 98 HG3 ARG 98 1.996 14.741 -5.446 757 HD2 ARG 98 HD2 ARG 98 2.326 16.841 -6.482 758 HD3 ARG 98 HD3 ARG 98 2.409 16.129 -8.090 759 HE ARG 98 HE ARG 98 -0.137 15.662 -6.858 760 HH11 ARG 98 HH21 ARG 98 1.835 18.002 -8.473 761 HH12 ARG 98 HH22 ARG 98 0.495 18.889 -9.118 762 HH21 ARG 98 HH11 ARG 98 -1.899 16.823 -7.699 763 HH22 ARG 98 HH12 ARG 98 -1.617 18.223 -8.680 764 H ALA 99 H ALA 99 5.011 11.439 -7.599 765 HA ALA 99 HA ALA 99 7.692 12.315 -7.682 766 HB1 ALA 99 HB1 ALA 99 7.177 10.275 -6.535 767 HB2 ALA 99 HB2 ALA 99 8.196 9.847 -7.910 768 HB3 ALA 99 HB3 ALA 99 6.456 9.573 -7.985 769 H GLY 100 H GLY 100 5.485 12.027 -10.164 770 HA2 GLY 100 HA2 GLY 100 5.971 12.641 -12.404 771 HA3 GLY 100 HA3 GLY 100 7.630 12.099 -12.167 772 H LEU 101 H LEU 101 5.192 10.025 -10.950 773 HA LEU 101 HA LEU 101 5.526 8.239 -13.286 774 HB2 LEU 101 HB2 LEU 101 5.091 7.426 -10.405 775 HB3 LEU 101 HB3 LEU 101 5.401 6.353 -11.772 776 HG LEU 101 HG LEU 101 7.296 8.453 -10.677 777 HD11 LEU 101 HD11 LEU 101 6.809 5.925 -9.725 778 HD12 LEU 101 HD12 LEU 101 8.348 6.771 -9.563 779 HD13 LEU 101 HD13 LEU 101 8.107 5.623 -10.879 780 HD21 LEU 101 HD21 LEU 101 7.359 6.683 -13.120 781 HD22 LEU 101 HD22 LEU 101 8.854 7.232 -12.363 782 HD23 LEU 101 HD23 LEU 101 7.705 8.407 -13.002 783 HA PRO 102 HA PRO 102 1.086 9.359 -13.434 784 HB2 PRO 102 HB2 PRO 102 1.359 7.481 -15.739 785 HB3 PRO 102 HB3 PRO 102 0.574 9.070 -15.663 786 HG2 PRO 102 HG2 PRO 102 2.957 8.723 -16.822 787 HG3 PRO 102 HG3 PRO 102 2.536 10.208 -15.953 788 HD2 PRO 102 HD2 PRO 102 4.380 8.019 -15.143 789 HD3 PRO 102 HD3 PRO 102 4.387 9.734 -14.676 790 H VAL 103 H VAL 103 -0.892 7.833 -13.828 791 HA VAL 103 HA VAL 103 -0.420 5.280 -12.420 792 HB VAL 103 HB VAL 103 -2.905 5.712 -11.720 793 HG11 VAL 103 HG11 VAL 103 -2.078 6.929 -9.707 794 HG12 VAL 103 HG12 VAL 103 -0.551 7.215 -10.542 795 HG13 VAL 103 HG13 VAL 103 -1.044 5.569 -10.143 796 HG21 VAL 103 HG21 VAL 103 -1.874 8.496 -12.335 797 HG22 VAL 103 HG22 VAL 103 -3.332 8.151 -11.405 798 HG23 VAL 103 HG23 VAL 103 -3.243 7.697 -13.108 799 H ALA 104 H ALA 104 -2.368 3.761 -12.757 800 HA ALA 104 HA ALA 104 -3.135 3.850 -15.615 801 HB1 ALA 104 HB1 ALA 104 -1.545 1.999 -14.831 802 HB2 ALA 104 HB2 ALA 104 -2.988 1.489 -15.707 803 HB3 ALA 104 HB3 ALA 104 -2.927 1.343 -13.950 804 H VAL 105 H VAL 105 -5.249 3.906 -16.059 805 HA VAL 105 HA VAL 105 -7.144 3.631 -13.833 806 HB VAL 105 HB VAL 105 -7.753 4.562 -16.636 807 HG11 VAL 105 HG11 VAL 105 -9.360 4.002 -14.444 808 HG12 VAL 105 HG12 VAL 105 -9.807 5.025 -15.809 809 HG13 VAL 105 HG13 VAL 105 -9.139 5.749 -14.346 810 HG21 VAL 105 HG21 VAL 105 -7.496 6.709 -14.726 811 HG22 VAL 105 HG22 VAL 105 -6.652 6.494 -16.259 812 HG23 VAL 105 HG23 VAL 105 -5.989 5.793 -14.783 813 H ASN 106 H ASN 106 -8.573 1.993 -13.687 814 HA ASN 106 HA ASN 106 -8.259 -0.310 -15.323 815 HB2 ASN 106 HB2 ASN 106 -9.417 0.241 -12.860 816 HB3 ASN 106 HB3 ASN 106 -10.788 -0.188 -13.880 817 HD21 ASN 106 HD21 ASN 106 -11.136 -2.399 -14.188 818 HD22 ASN 106 HD22 ASN 106 -9.992 -3.609 -13.858 819 H LYS 107 H LYS 107 -8.837 -0.298 -17.402 820 HA LYS 107 HA LYS 107 -10.362 1.247 -18.917 821 HB2 LYS 107 HB2 LYS 107 -9.319 -0.907 -19.656 822 HB3 LYS 107 HB3 LYS 107 -10.709 -1.758 -18.980 823 HG2 LYS 107 HG2 LYS 107 -11.582 -1.487 -21.066 824 HG3 LYS 107 HG3 LYS 107 -11.961 0.137 -20.489 825 HD2 LYS 107 HD2 LYS 107 -9.827 0.969 -21.395 826 HD3 LYS 107 HD3 LYS 107 -9.431 -0.654 -21.960 827 HE2 LYS 107 HE2 LYS 107 -11.460 -0.637 -23.387 828 HE3 LYS 107 HE3 LYS 107 -11.804 1.007 -22.852 829 HZ1 LYS 107 HZ1 LYS 107 -9.720 1.735 -23.783 830 HZ2 LYS 107 HZ2 LYS 107 -10.631 0.947 -24.980 831 HZ3 LYS 107 HZ3 LYS 107 -9.324 0.152 -24.241 Start of MODEL 6 1 H MET 1 H1 MET 1 10.085 -6.946 12.299 2 HA MET 1 HA MET 1 8.306 -5.729 11.785 3 HB2 MET 1 HB2 MET 1 7.017 -4.638 13.846 4 HB3 MET 1 HB3 MET 1 6.808 -6.342 13.437 5 HG2 MET 1 HG2 MET 1 7.965 -7.064 15.274 6 HG3 MET 1 HG3 MET 1 9.095 -5.711 15.221 7 HE1 MET 1 HE1 MET 1 9.077 -5.018 17.798 8 HE2 MET 1 HE2 MET 1 8.127 -3.538 17.888 9 HE3 MET 1 HE3 MET 1 9.122 -3.852 16.468 10 H ALA 2 H ALA 2 10.328 -4.478 11.151 11 HA ALA 2 HA ALA 2 10.721 -2.022 12.703 12 HB1 ALA 2 HB1 ALA 2 12.529 -1.633 10.942 13 HB2 ALA 2 HB2 ALA 2 12.192 -3.272 10.383 14 HB3 ALA 2 HB3 ALA 2 12.774 -3.002 12.026 15 H LEU 3 H LEU 3 8.198 -2.331 11.450 16 HA LEU 3 HA LEU 3 7.753 -1.321 8.966 17 HB2 LEU 3 HB2 LEU 3 5.665 -0.379 9.800 18 HB3 LEU 3 HB3 LEU 3 5.969 -1.933 10.577 19 HG LEU 3 HG LEU 3 7.260 -0.175 12.264 20 HD11 LEU 3 HD11 LEU 3 6.056 1.798 12.508 21 HD12 LEU 3 HD12 LEU 3 4.602 1.124 11.773 22 HD13 LEU 3 HD13 LEU 3 5.969 1.585 10.760 23 HD21 LEU 3 HD21 LEU 3 4.983 -0.420 13.575 24 HD22 LEU 3 HD22 LEU 3 5.959 -1.852 13.242 25 HD23 LEU 3 HD23 LEU 3 4.555 -1.487 12.238 26 H THR 4 H THR 4 8.571 0.367 7.915 27 HA THR 4 HA THR 4 8.983 2.887 9.406 28 HB THR 4 HB THR 4 10.817 1.595 7.379 29 HG1 THR 4 HG1 THR 4 12.160 1.442 9.053 30 HG21 THR 4 HG21 THR 4 10.831 4.394 8.536 31 HG22 THR 4 HG22 THR 4 10.658 3.953 6.838 32 HG23 THR 4 HG23 THR 4 12.188 3.673 7.669 33 H THR 5 H THR 5 8.921 4.815 8.082 34 HA THR 5 HA THR 5 6.916 4.597 5.976 35 HB THR 5 HB THR 5 7.343 7.220 6.087 36 HG1 THR 5 HG1 THR 5 7.736 7.107 8.681 37 HG21 THR 5 HG21 THR 5 5.826 7.058 8.284 38 HG22 THR 5 HG22 THR 5 5.777 5.359 7.813 39 HG23 THR 5 HG23 THR 5 5.211 6.600 6.696 40 H ILE 6 H ILE 6 7.207 5.361 3.855 41 HA ILE 6 HA ILE 6 9.967 6.000 3.066 42 HB ILE 6 HB ILE 6 8.708 3.508 2.574 43 HG12 ILE 6 HG12 ILE 6 11.160 4.692 1.258 44 HG13 ILE 6 HG13 ILE 6 11.132 4.081 2.907 45 HG21 ILE 6 HG21 ILE 6 8.645 3.365 0.160 46 HG22 ILE 6 HG22 ILE 6 9.172 5.039 0.002 47 HG23 ILE 6 HG23 ILE 6 7.575 4.675 0.657 48 HD11 ILE 6 HD11 ILE 6 11.060 1.898 2.243 49 HD12 ILE 6 HD12 ILE 6 11.755 2.540 0.755 50 HD13 ILE 6 HD13 ILE 6 10.019 2.251 0.864 51 H SER 7 H SER 7 10.082 6.778 0.800 52 HA SER 7 HA SER 7 7.746 8.493 0.235 53 HB2 SER 7 HB2 SER 7 10.416 9.168 0.551 54 HB3 SER 7 HB3 SER 7 10.208 9.134 -1.198 55 HG SER 7 HG SER 7 8.076 10.300 -0.292 56 HA PRO 8 HA PRO 8 6.610 6.270 -3.394 57 HB2 PRO 8 HB2 PRO 8 6.821 8.923 -4.755 58 HB3 PRO 8 HB3 PRO 8 5.493 7.749 -4.769 59 HG2 PRO 8 HG2 PRO 8 5.458 10.006 -3.283 60 HG3 PRO 8 HG3 PRO 8 4.608 8.523 -2.828 61 HD2 PRO 8 HD2 PRO 8 6.964 9.750 -1.577 62 HD3 PRO 8 HD3 PRO 8 5.894 8.480 -0.948 63 H HIS 9 H HIS 9 9.411 8.285 -3.211 64 HA HIS 9 HA HIS 9 10.538 7.579 -5.757 65 HB2 HIS 9 HB2 HIS 9 11.872 8.746 -3.305 66 HB3 HIS 9 HB3 HIS 9 12.548 8.700 -4.933 67 HD1 HIS 9 HD1 HIS 9 12.453 11.080 -5.716 68 HD2 HIS 9 HD2 HIS 9 8.887 9.898 -3.911 69 HE1 HIS 9 HE1 HIS 9 10.825 12.995 -6.025 70 H ASP 10 H ASP 10 10.626 6.203 -2.530 71 HA ASP 10 HA ASP 10 12.896 4.492 -3.136 72 HB2 ASP 10 HB2 ASP 10 11.036 4.117 -0.815 73 HB3 ASP 10 HB3 ASP 10 12.761 3.771 -0.916 74 H ALA 11 H ALA 11 9.436 4.017 -2.432 75 HA ALA 11 HA ALA 11 9.178 1.318 -2.722 76 HB1 ALA 11 HB1 ALA 11 6.932 2.028 -3.973 77 HB2 ALA 11 HB2 ALA 11 7.405 3.621 -3.382 78 HB3 ALA 11 HB3 ALA 11 7.156 2.296 -2.245 79 H GLN 12 H GLN 12 9.703 3.680 -5.271 80 HA GLN 12 HA GLN 12 9.143 1.947 -7.461 81 HB2 GLN 12 HB2 GLN 12 9.126 4.192 -8.062 82 HB3 GLN 12 HB3 GLN 12 10.578 4.558 -7.130 83 HG2 GLN 12 HG2 GLN 12 10.942 4.515 -9.624 84 HG3 GLN 12 HG3 GLN 12 11.979 3.410 -8.724 85 HE21 GLN 12 HE21 GLN 12 12.109 2.182 -10.844 86 HE22 GLN 12 HE22 GLN 12 10.850 1.112 -11.237 87 H GLU 13 H GLU 13 12.210 2.983 -5.961 88 HA GLU 13 HA GLU 13 13.946 1.483 -7.554 89 HB2 GLU 13 HB2 GLU 13 14.311 2.047 -4.605 90 HB3 GLU 13 HB3 GLU 13 15.574 1.769 -5.804 91 HG2 GLU 13 HG2 GLU 13 14.888 3.809 -7.006 92 HG3 GLU 13 HG3 GLU 13 13.621 4.089 -5.813 93 H LEU 14 H LEU 14 11.867 0.518 -4.931 94 HA LEU 14 HA LEU 14 13.136 -2.022 -4.460 95 HB2 LEU 14 HB2 LEU 14 10.333 -1.140 -3.741 96 HB3 LEU 14 HB3 LEU 14 11.235 -2.481 -3.034 97 HG LEU 14 HG LEU 14 11.876 0.470 -2.827 98 HD11 LEU 14 HD11 LEU 14 10.833 -1.665 -1.017 99 HD12 LEU 14 HD12 LEU 14 10.382 0.037 -1.119 100 HD13 LEU 14 HD13 LEU 14 11.883 -0.431 -0.322 101 HD21 LEU 14 HD21 LEU 14 13.515 -1.989 -2.205 102 HD22 LEU 14 HD22 LEU 14 13.776 -0.475 -1.339 103 HD23 LEU 14 HD23 LEU 14 14.001 -0.540 -3.087 104 H ILE 15 H ILE 15 10.295 -0.906 -6.275 105 HA ILE 15 HA ILE 15 9.160 -3.299 -7.027 106 HB ILE 15 HB ILE 15 9.554 -0.753 -8.606 107 HG12 ILE 15 HG12 ILE 15 7.093 -1.966 -7.314 108 HG13 ILE 15 HG13 ILE 15 8.109 -0.750 -6.539 109 HG21 ILE 15 HG21 ILE 15 8.460 -3.385 -9.410 110 HG22 ILE 15 HG22 ILE 15 9.085 -2.073 -10.409 111 HG23 ILE 15 HG23 ILE 15 7.437 -1.998 -9.785 112 HD11 ILE 15 HD11 ILE 15 6.354 0.488 -7.559 113 HD12 ILE 15 HD12 ILE 15 6.438 -0.467 -9.040 114 HD13 ILE 15 HD13 ILE 15 7.729 0.669 -8.650 115 H ALA 16 H ALA 16 12.221 -1.987 -7.880 116 HA ALA 16 HA ALA 16 12.611 -3.757 -10.160 117 HB1 ALA 16 HB1 ALA 16 13.639 -1.577 -10.293 118 HB2 ALA 16 HB2 ALA 16 14.923 -2.777 -10.143 119 HB3 ALA 16 HB3 ALA 16 14.449 -1.813 -8.744 120 H ARG 17 H ARG 17 13.204 -3.703 -6.752 121 HA ARG 17 HA ARG 17 15.236 -5.754 -6.774 122 HB2 ARG 17 HB2 ARG 17 14.502 -3.857 -4.955 123 HB3 ARG 17 HB3 ARG 17 13.723 -5.288 -4.282 124 HG2 ARG 17 HG2 ARG 17 15.787 -5.591 -3.333 125 HG3 ARG 17 HG3 ARG 17 16.135 -6.345 -4.888 126 HD2 ARG 17 HD2 ARG 17 16.648 -3.437 -4.199 127 HD3 ARG 17 HD3 ARG 17 17.877 -4.697 -4.259 128 HE ARG 17 HE ARG 17 16.511 -4.646 -6.727 129 HH11 ARG 17 HH21 ARG 17 18.643 -2.743 -4.778 130 HH12 ARG 17 HH22 ARG 17 19.405 -1.966 -6.124 131 HH21 ARG 17 HH11 ARG 17 17.499 -3.625 -8.498 132 HH22 ARG 17 HH12 ARG 17 18.756 -2.465 -8.232 133 H GLY 18 H GLY 18 11.810 -5.594 -5.777 134 HA2 GLY 18 HA2 GLY 18 10.555 -7.618 -6.765 135 HA3 GLY 18 HA3 GLY 18 11.720 -8.543 -5.826 136 H ALA 19 H ALA 19 10.333 -5.491 -4.755 137 HA ALA 19 HA ALA 19 9.446 -6.676 -2.290 138 HB1 ALA 19 HB1 ALA 19 9.578 -3.955 -3.456 139 HB2 ALA 19 HB2 ALA 19 10.009 -4.515 -1.840 140 HB3 ALA 19 HB3 ALA 19 8.319 -4.223 -2.250 141 H LYS 20 H LYS 20 7.097 -5.756 -1.588 142 HA LYS 20 HA LYS 20 5.200 -6.606 -3.687 143 HB2 LYS 20 HB2 LYS 20 5.561 -7.555 -0.898 144 HB3 LYS 20 HB3 LYS 20 3.900 -7.299 -1.420 145 HG2 LYS 20 HG2 LYS 20 4.601 -8.662 -3.537 146 HG3 LYS 20 HG3 LYS 20 5.956 -9.193 -2.541 147 HD2 LYS 20 HD2 LYS 20 4.435 -10.063 -0.853 148 HD3 LYS 20 HD3 LYS 20 3.045 -9.417 -1.726 149 HE2 LYS 20 HE2 LYS 20 4.815 -11.153 -3.334 150 HE3 LYS 20 HE3 LYS 20 3.975 -11.970 -2.017 151 HZ1 LYS 20 HZ1 LYS 20 1.928 -10.744 -2.892 152 HZ2 LYS 20 HZ2 LYS 20 2.492 -12.082 -3.775 153 HZ3 LYS 20 HZ3 LYS 20 2.831 -10.504 -4.307 154 H LEU 21 H LEU 21 4.085 -4.847 -4.268 155 HA LEU 21 HA LEU 21 3.415 -2.830 -2.228 156 HB2 LEU 21 HB2 LEU 21 3.392 -2.744 -5.251 157 HB3 LEU 21 HB3 LEU 21 2.778 -1.443 -4.232 158 HG LEU 21 HG LEU 21 5.206 -1.856 -3.080 159 HD11 LEU 21 HD11 LEU 21 6.805 -1.974 -5.069 160 HD12 LEU 21 HD12 LEU 21 5.435 -2.553 -6.016 161 HD13 LEU 21 HD13 LEU 21 6.009 -3.487 -4.636 162 HD21 LEU 21 HD21 LEU 21 5.895 0.013 -4.883 163 HD22 LEU 21 HD22 LEU 21 4.754 0.350 -3.581 164 HD23 LEU 21 HD23 LEU 21 4.160 -0.029 -5.198 165 H ILE 22 H ILE 22 1.414 -2.738 -1.425 166 HA ILE 22 HA ILE 22 -0.818 -3.777 -3.051 167 HB ILE 22 HB ILE 22 -0.557 -4.308 -0.095 168 HG12 ILE 22 HG12 ILE 22 -0.046 -6.302 -2.312 169 HG13 ILE 22 HG13 ILE 22 1.258 -5.397 -1.543 170 HG21 ILE 22 HG21 ILE 22 -2.636 -4.599 -2.054 171 HG22 ILE 22 HG22 ILE 22 -2.681 -5.008 -0.340 172 HG23 ILE 22 HG23 ILE 22 -2.139 -6.204 -1.516 173 HD11 ILE 22 HD11 ILE 22 1.163 -6.651 0.340 174 HD12 ILE 22 HD12 ILE 22 0.221 -7.790 -0.622 175 HD13 ILE 22 HD13 ILE 22 -0.599 -6.594 0.383 176 H ASP 23 H ASP 23 -2.670 -2.625 -2.931 177 HA ASP 23 HA ASP 23 -2.681 -0.306 -1.106 178 HB2 ASP 23 HB2 ASP 23 -2.776 0.400 -3.400 179 HB3 ASP 23 HB3 ASP 23 -4.067 -0.738 -3.755 180 H ILE 24 H ILE 24 -4.511 0.122 0.098 181 HA ILE 24 HA ILE 24 -6.442 -2.105 0.235 182 HB ILE 24 HB ILE 24 -6.700 -0.913 2.651 183 HG12 ILE 24 HG12 ILE 24 -3.750 -0.683 1.966 184 HG13 ILE 24 HG13 ILE 24 -4.838 0.703 2.027 185 HG21 ILE 24 HG21 ILE 24 -4.851 -2.638 3.346 186 HG22 ILE 24 HG22 ILE 24 -4.860 -3.070 1.637 187 HG23 ILE 24 HG23 ILE 24 -6.330 -3.231 2.594 188 HD11 ILE 24 HD11 ILE 24 -5.301 0.335 4.363 189 HD12 ILE 24 HD12 ILE 24 -3.549 0.291 4.163 190 HD13 ILE 24 HD13 ILE 24 -4.454 -1.212 4.340 191 H ARG 25 H ARG 25 -6.387 1.196 1.487 192 HA ARG 25 HA ARG 25 -8.374 2.517 1.736 193 HB2 ARG 25 HB2 ARG 25 -8.326 4.000 -0.208 194 HB3 ARG 25 HB3 ARG 25 -6.690 3.577 0.294 195 HG2 ARG 25 HG2 ARG 25 -6.730 1.733 -1.435 196 HG3 ARG 25 HG3 ARG 25 -8.248 2.409 -2.025 197 HD2 ARG 25 HD2 ARG 25 -6.640 3.443 -3.391 198 HD3 ARG 25 HD3 ARG 25 -6.952 4.653 -2.149 199 HE ARG 25 HE ARG 25 -4.870 3.306 -1.093 200 HH11 ARG 25 HH21 ARG 25 -5.500 4.585 -4.244 201 HH12 ARG 25 HH22 ARG 25 -3.834 4.892 -4.605 202 HH21 ARG 25 HH11 ARG 25 -2.682 3.706 -1.557 203 HH22 ARG 25 HH12 ARG 25 -2.239 4.393 -3.083 204 H ASP 26 H ASP 26 -9.662 3.167 -0.965 205 HA ASP 26 HA ASP 26 -11.643 0.974 -0.896 206 HB2 ASP 26 HB2 ASP 26 -12.625 3.475 -2.006 207 HB3 ASP 26 HB3 ASP 26 -13.291 2.488 -0.705 208 H ALA 27 H ALA 27 -11.470 -0.242 -2.657 209 HA ALA 27 HA ALA 27 -10.047 0.092 -4.923 210 HB1 ALA 27 HB1 ALA 27 -12.850 -1.034 -4.987 211 HB2 ALA 27 HB2 ALA 27 -11.469 -1.904 -4.319 212 HB3 ALA 27 HB3 ALA 27 -11.493 -1.466 -6.027 213 H ASP 28 H ASP 28 -12.912 1.848 -4.077 214 HA ASP 28 HA ASP 28 -13.785 2.709 -6.601 215 HB2 ASP 28 HB2 ASP 28 -13.856 4.120 -3.926 216 HB3 ASP 28 HB3 ASP 28 -14.722 4.667 -5.360 217 H GLU 29 H GLU 29 -11.147 3.797 -4.566 218 HA GLU 29 HA GLU 29 -10.566 6.092 -6.258 219 HB2 GLU 29 HB2 GLU 29 -9.171 4.918 -3.841 220 HB3 GLU 29 HB3 GLU 29 -8.613 6.354 -4.698 221 HG2 GLU 29 HG2 GLU 29 -11.460 6.204 -3.754 222 HG3 GLU 29 HG3 GLU 29 -10.185 6.624 -2.611 223 H TYR 30 H TYR 30 -9.509 2.817 -5.732 224 HA TYR 30 HA TYR 30 -7.076 3.023 -7.243 225 HB2 TYR 30 HB2 TYR 30 -8.069 1.207 -5.463 226 HB3 TYR 30 HB3 TYR 30 -8.343 0.375 -6.991 227 HD1 TYR 30 HD1 TYR 30 -5.671 2.542 -5.482 228 HD2 TYR 30 HD2 TYR 30 -6.616 -1.030 -7.673 229 HE1 TYR 30 HE1 TYR 30 -3.260 1.973 -5.595 230 HE2 TYR 30 HE2 TYR 30 -4.203 -1.597 -7.788 231 HH TYR 30 HH TYR 30 -2.155 -1.053 -7.115 232 H LEU 31 H LEU 31 -10.394 1.984 -7.887 233 HA LEU 31 HA LEU 31 -10.047 0.884 -10.435 234 HB2 LEU 31 HB2 LEU 31 -12.156 0.775 -9.124 235 HB3 LEU 31 HB3 LEU 31 -12.416 2.491 -9.444 236 HG LEU 31 HG LEU 31 -11.893 1.426 -11.961 237 HD11 LEU 31 HD11 LEU 31 -13.606 -0.443 -12.061 238 HD12 LEU 31 HD12 LEU 31 -13.561 -0.477 -10.298 239 HD13 LEU 31 HD13 LEU 31 -12.109 -0.852 -11.225 240 HD21 LEU 31 HD21 LEU 31 -14.351 1.788 -12.295 241 HD22 LEU 31 HD22 LEU 31 -13.564 3.134 -11.471 242 HD23 LEU 31 HD23 LEU 31 -14.523 1.976 -10.550 243 H ARG 32 H ARG 32 -10.919 4.230 -9.550 244 HA ARG 32 HA ARG 32 -10.931 5.310 -12.133 245 HB2 ARG 32 HB2 ARG 32 -10.467 7.486 -10.974 246 HB3 ARG 32 HB3 ARG 32 -11.804 6.576 -10.269 247 HG2 ARG 32 HG2 ARG 32 -10.335 5.714 -8.515 248 HG3 ARG 32 HG3 ARG 32 -8.953 6.535 -9.240 249 HD2 ARG 32 HD2 ARG 32 -9.693 7.949 -7.465 250 HD3 ARG 32 HD3 ARG 32 -10.251 8.707 -8.952 251 HE ARG 32 HE ARG 32 -11.937 7.253 -7.017 252 HH11 ARG 32 HH21 ARG 32 -11.551 9.217 -9.851 253 HH12 ARG 32 HH22 ARG 32 -13.225 9.651 -9.937 254 HH21 ARG 32 HH11 ARG 32 -14.128 7.824 -7.135 255 HH22 ARG 32 HH12 ARG 32 -14.681 8.864 -8.404 256 H GLU 33 H GLU 33 -8.319 4.421 -10.037 257 HA GLU 33 HA GLU 33 -6.385 4.709 -12.138 258 HB2 GLU 33 HB2 GLU 33 -6.739 7.066 -11.035 259 HB3 GLU 33 HB3 GLU 33 -5.773 6.385 -9.725 260 HG2 GLU 33 HG2 GLU 33 -3.906 6.025 -11.136 261 HG3 GLU 33 HG3 GLU 33 -4.868 6.214 -12.601 262 H HIS 34 H HIS 34 -4.876 3.163 -11.849 263 HA HIS 34 HA HIS 34 -4.198 2.321 -9.119 264 HB2 HIS 34 HB2 HIS 34 -4.540 -0.033 -9.635 265 HB3 HIS 34 HB3 HIS 34 -6.047 0.849 -9.883 266 HD1 HIS 34 HD1 HIS 34 -3.428 -1.092 -11.676 267 HD2 HIS 34 HD2 HIS 34 -6.739 1.240 -12.668 268 HE1 HIS 34 HE1 HIS 34 -3.922 -1.550 -14.117 269 H ILE 35 H ILE 35 -2.378 0.679 -9.176 270 HA ILE 35 HA ILE 35 -0.446 1.483 -11.256 271 HB ILE 35 HB ILE 35 0.179 0.299 -8.549 272 HG12 ILE 35 HG12 ILE 35 -0.322 3.137 -9.420 273 HG13 ILE 35 HG13 ILE 35 -0.850 2.318 -7.949 274 HG21 ILE 35 HG21 ILE 35 1.835 0.311 -10.555 275 HG22 ILE 35 HG22 ILE 35 2.403 0.921 -9.002 276 HG23 ILE 35 HG23 ILE 35 1.927 2.050 -10.269 277 HD11 ILE 35 HD11 ILE 35 0.920 3.801 -7.300 278 HD12 ILE 35 HD12 ILE 35 1.943 3.263 -8.632 279 HD13 ILE 35 HD13 ILE 35 1.601 2.174 -7.287 280 HA PRO 36 HA PRO 36 -0.774 -2.805 -12.502 281 HB2 PRO 36 HB2 PRO 36 1.063 -2.741 -14.508 282 HB3 PRO 36 HB3 PRO 36 -0.559 -2.047 -14.659 283 HG2 PRO 36 HG2 PRO 36 2.035 -0.687 -14.165 284 HG3 PRO 36 HG3 PRO 36 0.657 -0.171 -15.152 285 HD2 PRO 36 HD2 PRO 36 1.177 0.784 -12.613 286 HD3 PRO 36 HD3 PRO 36 -0.433 0.776 -13.364 287 H GLU 37 H GLU 37 1.132 -1.798 -10.379 288 HA GLU 37 HA GLU 37 2.974 -4.093 -10.478 289 HB2 GLU 37 HB2 GLU 37 3.774 -1.263 -9.762 290 HB3 GLU 37 HB3 GLU 37 4.807 -2.685 -9.625 291 HG2 GLU 37 HG2 GLU 37 3.522 -1.770 -12.212 292 HG3 GLU 37 HG3 GLU 37 5.174 -1.375 -11.738 293 H ALA 38 H ALA 38 0.443 -3.396 -9.022 294 HA ALA 38 HA ALA 38 1.366 -4.194 -6.384 295 HB1 ALA 38 HB1 ALA 38 1.367 -1.617 -6.517 296 HB2 ALA 38 HB2 ALA 38 0.520 -2.369 -5.164 297 HB3 ALA 38 HB3 ALA 38 -0.391 -1.756 -6.544 298 H ASP 39 H ASP 39 -0.227 -5.209 -5.165 299 HA ASP 39 HA ASP 39 -2.545 -6.093 -6.688 300 HB2 ASP 39 HB2 ASP 39 -1.626 -6.877 -3.913 301 HB3 ASP 39 HB3 ASP 39 -2.864 -7.689 -4.870 302 H LEU 40 H LEU 40 -4.703 -5.983 -5.888 303 HA LEU 40 HA LEU 40 -5.163 -3.625 -4.168 304 HB2 LEU 40 HB2 LEU 40 -6.048 -3.470 -6.474 305 HB3 LEU 40 HB3 LEU 40 -7.020 -4.912 -6.182 306 HG LEU 40 HG LEU 40 -8.086 -3.718 -4.242 307 HD11 LEU 40 HD11 LEU 40 -7.750 -1.070 -4.737 308 HD12 LEU 40 HD12 LEU 40 -6.142 -1.667 -5.149 309 HD13 LEU 40 HD13 LEU 40 -6.804 -1.956 -3.541 310 HD21 LEU 40 HD21 LEU 40 -9.656 -2.608 -5.605 311 HD22 LEU 40 HD22 LEU 40 -8.924 -3.769 -6.712 312 HD23 LEU 40 HD23 LEU 40 -8.424 -2.079 -6.751 313 H ALA 41 H ALA 41 -5.976 -3.950 -2.205 314 HA ALA 41 HA ALA 41 -7.980 -5.956 -1.688 315 HB1 ALA 41 HB1 ALA 41 -5.923 -6.501 0.239 316 HB2 ALA 41 HB2 ALA 41 -5.273 -6.720 -1.386 317 HB3 ALA 41 HB3 ALA 41 -6.709 -7.611 -0.883 318 HA PRO 42 HA PRO 42 -8.543 -2.171 0.832 319 HB2 PRO 42 HB2 PRO 42 -11.068 -3.639 1.409 320 HB3 PRO 42 HB3 PRO 42 -10.828 -1.954 0.915 321 HG2 PRO 42 HG2 PRO 42 -11.739 -3.828 -0.772 322 HG3 PRO 42 HG3 PRO 42 -10.730 -2.472 -1.304 323 HD2 PRO 42 HD2 PRO 42 -10.010 -5.343 -1.011 324 HD3 PRO 42 HD3 PRO 42 -9.319 -4.108 -2.085 325 H LEU 43 H LEU 43 -8.384 -1.819 3.026 326 HA LEU 43 HA LEU 43 -7.301 -3.894 4.613 327 HB2 LEU 43 HB2 LEU 43 -7.082 -2.274 6.319 328 HB3 LEU 43 HB3 LEU 43 -6.899 -1.375 4.812 329 HG LEU 43 HG LEU 43 -9.636 -1.334 5.229 330 HD11 LEU 43 HD11 LEU 43 -8.202 -0.949 7.874 331 HD12 LEU 43 HD12 LEU 43 -9.323 -2.257 7.496 332 HD13 LEU 43 HD13 LEU 43 -9.903 -0.593 7.572 333 HD21 LEU 43 HD21 LEU 43 -8.608 0.632 4.487 334 HD22 LEU 43 HD22 LEU 43 -7.374 0.577 5.745 335 HD23 LEU 43 HD23 LEU 43 -9.023 1.053 6.149 336 H SER 44 H SER 44 -10.532 -2.791 4.074 337 HA SER 44 HA SER 44 -11.662 -3.826 6.500 338 HB2 SER 44 HB2 SER 44 -13.412 -2.617 5.803 339 HB3 SER 44 HB3 SER 44 -12.538 -2.242 4.322 340 HG SER 44 HG SER 44 -14.498 -3.283 3.862 341 H VAL 45 H VAL 45 -10.978 -5.104 3.314 342 HA VAL 45 HA VAL 45 -12.605 -7.475 3.744 343 HB VAL 45 HB VAL 45 -11.782 -8.183 1.559 344 HG11 VAL 45 HG11 VAL 45 -13.332 -5.919 2.109 345 HG12 VAL 45 HG12 VAL 45 -13.276 -6.807 0.587 346 HG13 VAL 45 HG13 VAL 45 -12.232 -5.407 0.831 347 HG21 VAL 45 HG21 VAL 45 -10.263 -5.651 1.167 348 HG22 VAL 45 HG22 VAL 45 -9.984 -7.246 0.473 349 HG23 VAL 45 HG23 VAL 45 -9.482 -6.906 2.126 350 H LEU 46 H LEU 46 -9.326 -6.458 4.195 351 HA LEU 46 HA LEU 46 -8.282 -9.161 4.431 352 HB2 LEU 46 HB2 LEU 46 -7.062 -6.956 3.640 353 HB3 LEU 46 HB3 LEU 46 -6.786 -6.747 5.371 354 HG LEU 46 HG LEU 46 -6.048 -9.282 5.238 355 HD11 LEU 46 HD11 LEU 46 -5.267 -10.030 3.162 356 HD12 LEU 46 HD12 LEU 46 -5.178 -8.397 2.499 357 HD13 LEU 46 HD13 LEU 46 -6.744 -9.178 2.710 358 HD21 LEU 46 HD21 LEU 46 -4.333 -7.010 4.184 359 HD22 LEU 46 HD22 LEU 46 -3.732 -8.518 4.872 360 HD23 LEU 46 HD23 LEU 46 -4.610 -7.374 5.887 361 H GLU 47 H GLU 47 -8.919 -6.400 6.583 362 HA GLU 47 HA GLU 47 -8.080 -7.641 8.974 363 HB2 GLU 47 HB2 GLU 47 -8.483 -5.193 8.689 364 HB3 GLU 47 HB3 GLU 47 -10.216 -5.522 8.660 365 HG2 GLU 47 HG2 GLU 47 -9.387 -6.893 10.907 366 HG3 GLU 47 HG3 GLU 47 -8.366 -5.457 10.938 367 H GLN 48 H GLN 48 -11.087 -7.760 7.181 368 HA GLN 48 HA GLN 48 -12.509 -9.116 9.323 369 HB2 GLN 48 HB2 GLN 48 -13.224 -8.329 6.501 370 HB3 GLN 48 HB3 GLN 48 -14.284 -9.337 7.487 371 HG2 GLN 48 HG2 GLN 48 -13.253 -6.907 8.823 372 HG3 GLN 48 HG3 GLN 48 -14.365 -6.616 7.487 373 HE21 GLN 48 HE21 GLN 48 -14.093 -7.973 10.733 374 HE22 GLN 48 HE22 GLN 48 -15.755 -8.238 10.955 375 H SER 49 H SER 49 -10.777 -9.919 6.394 376 HA SER 49 HA SER 49 -11.639 -12.717 6.546 377 HB2 SER 49 HB2 SER 49 -9.752 -11.487 4.538 378 HB3 SER 49 HB3 SER 49 -10.643 -13.000 4.398 379 HG SER 49 HG SER 49 -11.762 -10.392 4.582 380 H GLY 50 H GLY 50 -8.479 -11.232 5.889 381 HA2 GLY 50 HA2 GLY 50 -6.506 -11.475 7.180 382 HA3 GLY 50 HA3 GLY 50 -7.276 -12.791 8.064 383 H LEU 51 H LEU 51 -5.656 -11.894 5.080 384 HA LEU 51 HA LEU 51 -5.363 -14.755 4.410 385 HB2 LEU 51 HB2 LEU 51 -6.300 -12.682 2.847 386 HB3 LEU 51 HB3 LEU 51 -4.616 -12.822 2.347 387 HG LEU 51 HG LEU 51 -5.871 -14.327 0.957 388 HD11 LEU 51 HD11 LEU 51 -4.982 -16.343 2.941 389 HD12 LEU 51 HD12 LEU 51 -3.771 -15.150 2.473 390 HD13 LEU 51 HD13 LEU 51 -4.535 -16.159 1.246 391 HD21 LEU 51 HD21 LEU 51 -7.003 -16.212 2.713 392 HD22 LEU 51 HD22 LEU 51 -7.871 -15.034 1.729 393 HD23 LEU 51 HD23 LEU 51 -7.427 -14.639 3.389 394 HA PRO 52 HA PRO 52 -1.253 -13.485 6.180 395 HB2 PRO 52 HB2 PRO 52 -1.100 -16.462 5.903 396 HB3 PRO 52 HB3 PRO 52 -0.558 -15.425 7.237 397 HG2 PRO 52 HG2 PRO 52 -2.805 -16.847 7.400 398 HG3 PRO 52 HG3 PRO 52 -2.661 -15.238 8.128 399 HD2 PRO 52 HD2 PRO 52 -4.185 -16.072 5.717 400 HD3 PRO 52 HD3 PRO 52 -4.468 -14.704 6.815 401 H ALA 53 H ALA 53 -2.335 -14.798 3.255 402 HA ALA 53 HA ALA 53 -0.178 -15.786 1.904 403 HB1 ALA 53 HB1 ALA 53 -2.209 -15.629 0.703 404 HB2 ALA 53 HB2 ALA 53 -1.121 -14.514 -0.122 405 HB3 ALA 53 HB3 ALA 53 -2.341 -13.894 0.989 406 H LYS 54 H LYS 54 -0.674 -12.497 2.976 407 HA LYS 54 HA LYS 54 1.221 -11.170 1.398 408 HB2 LYS 54 HB2 LYS 54 -0.346 -9.999 2.896 409 HB3 LYS 54 HB3 LYS 54 0.504 -10.653 4.295 410 HG2 LYS 54 HG2 LYS 54 2.316 -9.368 2.396 411 HG3 LYS 54 HG3 LYS 54 1.094 -8.257 3.014 412 HD2 LYS 54 HD2 LYS 54 2.907 -10.005 4.707 413 HD3 LYS 54 HD3 LYS 54 3.080 -8.265 4.475 414 HE2 LYS 54 HE2 LYS 54 0.415 -8.577 5.244 415 HE3 LYS 54 HE3 LYS 54 1.292 -9.714 6.267 416 HZ1 LYS 54 HZ1 LYS 54 1.939 -8.004 7.488 417 HZ2 LYS 54 HZ2 LYS 54 1.194 -6.902 6.432 418 HZ3 LYS 54 HZ3 LYS 54 2.799 -7.388 6.163 419 H LEU 55 H LEU 55 1.678 -13.743 3.439 420 HA LEU 55 HA LEU 55 4.381 -12.982 4.278 421 HB2 LEU 55 HB2 LEU 55 2.480 -15.182 4.994 422 HB3 LEU 55 HB3 LEU 55 4.208 -15.421 5.253 423 HG LEU 55 HG LEU 55 4.327 -13.420 6.633 424 HD11 LEU 55 HD11 LEU 55 2.641 -12.093 5.403 425 HD12 LEU 55 HD12 LEU 55 2.298 -12.112 7.133 426 HD13 LEU 55 HD13 LEU 55 1.365 -13.133 6.038 427 HD21 LEU 55 HD21 LEU 55 2.162 -15.419 7.260 428 HD22 LEU 55 HD22 LEU 55 2.516 -14.107 8.383 429 HD23 LEU 55 HD23 LEU 55 3.770 -15.274 7.968 430 H ARG 56 H ARG 56 2.846 -14.459 1.670 431 HA ARG 56 HA ARG 56 4.643 -16.538 1.035 432 HB2 ARG 56 HB2 ARG 56 2.722 -14.877 -0.561 433 HB3 ARG 56 HB3 ARG 56 3.824 -15.984 -1.381 434 HG2 ARG 56 HG2 ARG 56 2.936 -17.877 -0.234 435 HG3 ARG 56 HG3 ARG 56 2.075 -16.862 0.924 436 HD2 ARG 56 HD2 ARG 56 1.066 -17.902 -1.488 437 HD3 ARG 56 HD3 ARG 56 0.291 -16.720 -0.437 438 HE ARG 56 HE ARG 56 0.899 -15.047 -1.942 439 HH11 ARG 56 HH21 ARG 56 2.535 -18.021 -2.611 440 HH12 ARG 56 HH22 ARG 56 3.188 -17.483 -4.121 441 HH21 ARG 56 HH11 ARG 56 1.747 -14.334 -3.922 442 HH22 ARG 56 HH12 ARG 56 2.742 -15.393 -4.865 443 H HIS 57 H HIS 57 5.466 -13.564 1.622 444 HA HIS 57 HA HIS 57 7.705 -13.590 -0.298 445 HB2 HIS 57 HB2 HIS 57 5.753 -11.856 -0.727 446 HB3 HIS 57 HB3 HIS 57 6.559 -10.966 0.564 447 HD1 HIS 57 HD1 HIS 57 8.462 -13.103 -1.886 448 HD2 HIS 57 HD2 HIS 57 7.743 -9.060 -1.167 449 HE1 HIS 57 HE1 HIS 57 10.059 -11.815 -3.373 450 H GLU 58 H GLU 58 8.501 -10.951 0.901 451 HA GLU 58 HA GLU 58 9.177 -11.710 3.651 452 HB2 GLU 58 HB2 GLU 58 11.070 -12.597 2.462 453 HB3 GLU 58 HB3 GLU 58 11.214 -11.133 1.488 454 HG2 GLU 58 HG2 GLU 58 12.007 -9.857 3.294 455 HG3 GLU 58 HG3 GLU 58 11.383 -10.993 4.490 456 H GLN 59 H GLN 59 9.452 -9.316 1.057 457 HA GLN 59 HA GLN 59 9.264 -7.180 3.095 458 HB2 GLN 59 HB2 GLN 59 10.998 -7.503 0.835 459 HB3 GLN 59 HB3 GLN 59 9.950 -6.115 0.542 460 HG2 GLN 59 HG2 GLN 59 10.530 -5.339 2.899 461 HG3 GLN 59 HG3 GLN 59 11.777 -6.586 2.908 462 HE21 GLN 59 HE21 GLN 59 13.696 -5.384 2.673 463 HE22 GLN 59 HE22 GLN 59 13.979 -4.284 1.412 464 H ILE 60 H ILE 60 7.501 -5.886 3.052 465 HA ILE 60 HA ILE 60 5.779 -5.951 0.664 466 HB ILE 60 HB ILE 60 4.587 -6.169 3.414 467 HG12 ILE 60 HG12 ILE 60 4.374 -8.682 2.670 468 HG13 ILE 60 HG13 ILE 60 5.790 -8.315 1.684 469 HG21 ILE 60 HG21 ILE 60 3.454 -7.365 0.925 470 HG22 ILE 60 HG22 ILE 60 3.427 -5.608 1.067 471 HG23 ILE 60 HG23 ILE 60 2.624 -6.603 2.282 472 HD11 ILE 60 HD11 ILE 60 7.023 -8.716 3.533 473 HD12 ILE 60 HD12 ILE 60 5.597 -8.708 4.570 474 HD13 ILE 60 HD13 ILE 60 6.397 -7.191 4.159 475 H ILE 61 H ILE 61 4.508 -4.154 0.341 476 HA ILE 61 HA ILE 61 4.887 -1.891 2.200 477 HB ILE 61 HB ILE 61 4.836 -1.575 -0.800 478 HG12 ILE 61 HG12 ILE 61 7.296 -1.681 0.970 479 HG13 ILE 61 HG13 ILE 61 6.767 -3.018 -0.053 480 HG21 ILE 61 HG21 ILE 61 4.326 0.354 0.777 481 HG22 ILE 61 HG22 ILE 61 5.679 0.622 -0.322 482 HG23 ILE 61 HG23 ILE 61 5.982 0.205 1.365 483 HD11 ILE 61 HD11 ILE 61 7.520 -2.019 -1.944 484 HD12 ILE 61 HD12 ILE 61 8.456 -0.994 -0.856 485 HD13 ILE 61 HD13 ILE 61 6.895 -0.442 -1.462 486 H PHE 62 H PHE 62 3.086 -0.648 2.543 487 HA PHE 62 HA PHE 62 0.657 -1.397 1.027 488 HB2 PHE 62 HB2 PHE 62 1.145 -1.177 3.948 489 HB3 PHE 62 HB3 PHE 62 -0.386 -0.534 3.353 490 HD1 PHE 62 HD1 PHE 62 -1.897 -2.012 1.968 491 HD2 PHE 62 HD2 PHE 62 1.532 -3.527 4.066 492 HE1 PHE 62 HE1 PHE 62 -2.794 -4.314 1.771 493 HE2 PHE 62 HE2 PHE 62 0.634 -5.831 3.868 494 HZ PHE 62 HZ PHE 62 -1.529 -6.224 2.721 495 H HIS 63 H HIS 63 -0.575 0.241 0.243 496 HA HIS 63 HA HIS 63 0.178 2.989 1.043 497 HB2 HIS 63 HB2 HIS 63 -0.503 3.395 -1.523 498 HB3 HIS 63 HB3 HIS 63 1.153 3.061 -1.017 499 HD1 HIS 63 HD1 HIS 63 -1.046 2.028 -3.527 500 HD2 HIS 63 HD2 HIS 63 1.338 -0.090 -0.841 501 HE1 HIS 63 HE1 HIS 63 -0.738 -0.285 -4.513 502 H CYS 64 H CYS 64 -1.459 4.333 1.453 503 HA CYS 64 HA CYS 64 -4.195 3.403 0.821 504 HB2 CYS 64 HB2 CYS 64 -3.279 5.106 3.153 505 HB3 CYS 64 HB3 CYS 64 -4.935 4.589 2.835 506 HG CYS 64 HG CYS 64 -3.556 2.065 2.932 507 H GLN 65 H GLN 65 -5.750 5.014 0.279 508 HA GLN 65 HA GLN 65 -5.357 6.736 -1.671 509 HB2 GLN 65 HB2 GLN 65 -7.553 6.613 -0.761 510 HB3 GLN 65 HB3 GLN 65 -7.021 7.257 0.792 511 HG2 GLN 65 HG2 GLN 65 -6.735 9.431 -0.066 512 HG3 GLN 65 HG3 GLN 65 -6.690 8.864 -1.735 513 HE21 GLN 65 HE21 GLN 65 -8.470 10.837 -1.480 514 HE22 GLN 65 HE22 GLN 65 -10.064 10.269 -1.352 515 H ALA 66 H ALA 66 -5.297 8.161 1.600 516 HA ALA 66 HA ALA 66 -3.367 10.152 0.610 517 HB1 ALA 66 HB1 ALA 66 -4.512 10.460 3.316 518 HB2 ALA 66 HB2 ALA 66 -5.676 10.526 1.993 519 HB3 ALA 66 HB3 ALA 66 -4.317 11.650 2.029 520 H GLY 67 H GLY 67 -3.955 8.094 3.463 521 HA2 GLY 67 HA2 GLY 67 -1.725 6.772 3.882 522 HA3 GLY 67 HA3 GLY 67 -1.146 8.393 4.258 523 H LYS 68 H LYS 68 -4.050 8.905 5.218 524 HA LYS 68 HA LYS 68 -3.567 8.650 7.971 525 HB2 LYS 68 HB2 LYS 68 -5.489 9.866 6.396 526 HB3 LYS 68 HB3 LYS 68 -6.403 8.631 7.262 527 HG2 LYS 68 HG2 LYS 68 -6.448 10.496 8.717 528 HG3 LYS 68 HG3 LYS 68 -5.168 9.474 9.373 529 HD2 LYS 68 HD2 LYS 68 -3.628 10.876 7.755 530 HD3 LYS 68 HD3 LYS 68 -4.940 12.052 7.855 531 HE2 LYS 68 HE2 LYS 68 -3.001 11.206 9.927 532 HE3 LYS 68 HE3 LYS 68 -3.827 12.751 9.721 533 HZ1 LYS 68 HZ1 LYS 68 -4.677 11.743 11.672 534 HZ2 LYS 68 HZ2 LYS 68 -4.929 10.256 10.888 535 HZ3 LYS 68 HZ3 LYS 68 -5.885 11.604 10.490 536 H ARG 69 H ARG 69 -5.222 6.526 5.688 537 HA ARG 69 HA ARG 69 -6.319 4.745 7.608 538 HB2 ARG 69 HB2 ARG 69 -6.173 4.930 4.743 539 HB3 ARG 69 HB3 ARG 69 -5.719 3.300 5.238 540 HG2 ARG 69 HG2 ARG 69 -7.766 3.055 6.518 541 HG3 ARG 69 HG3 ARG 69 -8.203 4.736 6.216 542 HD2 ARG 69 HD2 ARG 69 -7.665 3.001 3.848 543 HD3 ARG 69 HD3 ARG 69 -9.174 2.746 4.720 544 HE ARG 69 HE ARG 69 -8.483 5.043 3.101 545 HH11 ARG 69 HH21 ARG 69 -10.401 3.785 5.693 546 HH12 ARG 69 HH22 ARG 69 -11.651 4.972 5.527 547 HH21 ARG 69 HH11 ARG 69 -10.117 6.601 2.876 548 HH22 ARG 69 HH12 ARG 69 -11.491 6.568 3.932 549 H THR 70 H THR 70 -3.309 4.675 5.715 550 HA THR 70 HA THR 70 -2.278 2.237 6.479 551 HB THR 70 HB THR 70 -0.406 4.556 6.459 552 HG1 THR 70 HG1 THR 70 -1.272 3.748 3.986 553 HG21 THR 70 HG21 THR 70 0.814 3.023 4.938 554 HG22 THR 70 HG22 THR 70 -0.525 1.879 5.043 555 HG23 THR 70 HG23 THR 70 0.429 2.253 6.478 556 H SER 71 H SER 71 -1.867 5.352 8.175 557 HA SER 71 HA SER 71 -0.389 4.333 10.349 558 HB2 SER 71 HB2 SER 71 -1.040 6.414 11.501 559 HB3 SER 71 HB3 SER 71 -0.515 6.727 9.850 560 HG SER 71 HG SER 71 -3.090 6.780 10.971 561 H ASN 72 H ASN 72 -3.769 4.228 9.595 562 HA ASN 72 HA ASN 72 -4.573 3.590 12.319 563 HB2 ASN 72 HB2 ASN 72 -6.071 3.712 9.696 564 HB3 ASN 72 HB3 ASN 72 -6.821 3.225 11.215 565 HD21 ASN 72 HD21 ASN 72 -6.356 4.914 13.093 566 HD22 ASN 72 HD22 ASN 72 -6.497 6.547 12.650 567 H ASN 73 H ASN 73 -4.370 1.933 9.176 568 HA ASN 73 HA ASN 73 -5.028 -0.631 10.379 569 HB2 ASN 73 HB2 ASN 73 -5.615 0.245 7.979 570 HB3 ASN 73 HB3 ASN 73 -3.988 -0.307 7.585 571 HD21 ASN 73 HD21 ASN 73 -6.507 -1.708 9.760 572 HD22 ASN 73 HD22 ASN 73 -6.518 -3.225 9.000 573 H ALA 74 H ALA 74 -2.233 1.237 9.804 574 HA ALA 74 HA ALA 74 -0.223 -0.525 9.200 575 HB1 ALA 74 HB1 ALA 74 -0.361 1.880 10.972 576 HB2 ALA 74 HB2 ALA 74 0.543 1.637 9.478 577 HB3 ALA 74 HB3 ALA 74 1.109 0.904 10.978 578 H ASP 75 H ASP 75 -2.031 -0.270 12.187 579 HA ASP 75 HA ASP 75 -0.285 -1.901 13.761 580 HB2 ASP 75 HB2 ASP 75 -3.163 -1.047 14.074 581 HB3 ASP 75 HB3 ASP 75 -2.350 -2.088 15.242 582 H LYS 76 H LYS 76 -3.145 -2.509 11.775 583 HA LYS 76 HA LYS 76 -3.390 -5.264 12.534 584 HB2 LYS 76 HB2 LYS 76 -4.508 -3.742 10.167 585 HB3 LYS 76 HB3 LYS 76 -4.962 -5.388 10.614 586 HG2 LYS 76 HG2 LYS 76 -5.164 -3.105 12.580 587 HG3 LYS 76 HG3 LYS 76 -6.478 -3.482 11.465 588 HD2 LYS 76 HD2 LYS 76 -6.199 -5.924 12.352 589 HD3 LYS 76 HD3 LYS 76 -5.367 -5.156 13.706 590 HE2 LYS 76 HE2 LYS 76 -8.082 -4.213 12.781 591 HE3 LYS 76 HE3 LYS 76 -7.907 -5.521 13.952 592 HZ1 LYS 76 HZ1 LYS 76 -6.214 -3.435 14.717 593 HZ2 LYS 76 HZ2 LYS 76 -7.592 -4.018 15.523 594 HZ3 LYS 76 HZ3 LYS 76 -7.735 -2.759 14.391 595 H LEU 77 H LEU 77 -1.572 -3.499 10.148 596 HA LEU 77 HA LEU 77 -0.992 -5.763 8.473 597 HB2 LEU 77 HB2 LEU 77 0.403 -3.084 8.695 598 HB3 LEU 77 HB3 LEU 77 0.633 -4.263 7.403 599 HG LEU 77 HG LEU 77 -2.038 -3.012 8.097 600 HD11 LEU 77 HD11 LEU 77 -1.340 -2.090 5.607 601 HD12 LEU 77 HD12 LEU 77 0.215 -2.081 6.438 602 HD13 LEU 77 HD13 LEU 77 -1.145 -1.174 7.100 603 HD21 LEU 77 HD21 LEU 77 -1.148 -5.182 6.358 604 HD22 LEU 77 HD22 LEU 77 -2.000 -3.928 5.457 605 HD23 LEU 77 HD23 LEU 77 -2.786 -4.723 6.821 606 H ALA 78 H ALA 78 1.031 -3.820 10.691 607 HA ALA 78 HA ALA 78 3.301 -5.425 10.640 608 HB1 ALA 78 HB1 ALA 78 4.034 -3.893 12.101 609 HB2 ALA 78 HB2 ALA 78 2.843 -4.393 13.300 610 HB3 ALA 78 HB3 ALA 78 2.420 -3.185 12.088 611 H ALA 79 H ALA 79 0.236 -5.968 12.162 612 HA ALA 79 HA ALA 79 1.128 -7.912 14.072 613 HB1 ALA 79 HB1 ALA 79 -1.149 -6.511 13.832 614 HB2 ALA 79 HB2 ALA 79 -1.065 -8.040 14.708 615 HB3 ALA 79 HB3 ALA 79 -1.659 -8.006 13.048 616 H ILE 80 H ILE 80 -0.227 -8.049 10.801 617 HA ILE 80 HA ILE 80 -0.130 -10.955 10.764 618 HB ILE 80 HB ILE 80 -0.723 -9.047 8.491 619 HG12 ILE 80 HG12 ILE 80 -2.655 -10.429 10.383 620 HG13 ILE 80 HG13 ILE 80 -2.209 -8.726 10.492 621 HG21 ILE 80 HG21 ILE 80 -0.156 -11.434 7.935 622 HG22 ILE 80 HG22 ILE 80 -1.799 -10.976 7.484 623 HG23 ILE 80 HG23 ILE 80 -1.518 -11.941 8.933 624 HD11 ILE 80 HD11 ILE 80 -3.055 -9.582 7.801 625 HD12 ILE 80 HD12 ILE 80 -3.510 -8.147 8.721 626 HD13 ILE 80 HD13 ILE 80 -4.321 -9.684 9.025 627 H ALA 81 H ALA 81 1.498 -8.255 9.112 628 HA ALA 81 HA ALA 81 3.170 -9.582 7.395 629 HB1 ALA 81 HB1 ALA 81 4.608 -7.517 8.875 630 HB2 ALA 81 HB2 ALA 81 2.997 -6.998 8.381 631 HB3 ALA 81 HB3 ALA 81 4.150 -7.568 7.173 632 H ALA 82 H ALA 82 3.309 -9.514 10.876 633 HA ALA 82 HA ALA 82 4.561 -10.743 12.364 634 HB1 ALA 82 HB1 ALA 82 4.911 -12.849 11.675 635 HB2 ALA 82 HB2 ALA 82 6.145 -12.320 10.532 636 HB3 ALA 82 HB3 ALA 82 4.448 -12.334 10.053 637 HA PRO 83 HA PRO 83 8.527 -9.014 12.905 638 HB2 PRO 83 HB2 PRO 83 9.883 -11.656 12.841 639 HB3 PRO 83 HB3 PRO 83 9.854 -10.427 14.116 640 HG2 PRO 83 HG2 PRO 83 8.475 -12.724 14.289 641 HG3 PRO 83 HG3 PRO 83 7.923 -11.211 15.025 642 HD2 PRO 83 HD2 PRO 83 6.896 -12.607 12.608 643 HD3 PRO 83 HD3 PRO 83 6.052 -11.526 13.739 644 H ALA 84 H ALA 84 8.024 -8.549 10.430 645 HA ALA 84 HA ALA 84 10.400 -9.430 8.905 646 HB1 ALA 84 HB1 ALA 84 8.732 -8.959 6.889 647 HB2 ALA 84 HB2 ALA 84 7.527 -9.379 8.106 648 HB3 ALA 84 HB3 ALA 84 8.791 -10.533 7.683 649 H GLU 85 H GLU 85 10.269 -7.852 6.742 650 HA GLU 85 HA GLU 85 10.529 -5.155 7.899 651 HB2 GLU 85 HB2 GLU 85 11.574 -6.140 5.240 652 HB3 GLU 85 HB3 GLU 85 12.006 -4.648 6.076 653 HG2 GLU 85 HG2 GLU 85 12.434 -7.333 7.376 654 HG3 GLU 85 HG3 GLU 85 13.632 -6.656 6.273 655 H ILE 86 H ILE 86 8.906 -3.805 7.560 656 HA ILE 86 HA ILE 86 7.466 -3.938 4.982 657 HB ILE 86 HB ILE 86 6.132 -3.166 7.574 658 HG12 ILE 86 HG12 ILE 86 5.147 -5.601 7.229 659 HG13 ILE 86 HG13 ILE 86 6.693 -5.883 6.429 660 HG21 ILE 86 HG21 ILE 86 5.194 -2.594 5.259 661 HG22 ILE 86 HG22 ILE 86 4.119 -3.486 6.337 662 HG23 ILE 86 HG23 ILE 86 4.964 -4.329 5.038 663 HD11 ILE 86 HD11 ILE 86 7.510 -4.566 8.676 664 HD12 ILE 86 HD12 ILE 86 7.433 -6.322 8.538 665 HD13 ILE 86 HD13 ILE 86 6.107 -5.437 9.292 666 H PHE 87 H PHE 87 6.974 -1.992 4.035 667 HA PHE 87 HA PHE 87 7.916 0.429 5.451 668 HB2 PHE 87 HB2 PHE 87 8.210 -0.348 2.546 669 HB3 PHE 87 HB3 PHE 87 8.436 1.305 3.124 670 HD1 PHE 87 HD2 PHE 87 10.302 1.887 4.600 671 HD2 PHE 87 HD1 PHE 87 9.767 -2.125 3.163 672 HE1 PHE 87 HE2 PHE 87 12.605 1.320 5.325 673 HE2 PHE 87 HE1 PHE 87 12.069 -2.691 3.889 674 HZ PHE 87 HZ PHE 87 13.488 -0.969 4.970 675 H LEU 88 H LEU 88 6.913 2.467 4.464 676 HA LEU 88 HA LEU 88 4.155 1.949 3.549 677 HB2 LEU 88 HB2 LEU 88 4.840 3.965 5.693 678 HB3 LEU 88 HB3 LEU 88 3.236 3.494 5.138 679 HG LEU 88 HG LEU 88 5.178 1.518 6.354 680 HD11 LEU 88 HD11 LEU 88 3.473 1.833 8.348 681 HD12 LEU 88 HD12 LEU 88 3.260 3.433 7.638 682 HD13 LEU 88 HD13 LEU 88 4.855 2.916 8.185 683 HD21 LEU 88 HD21 LEU 88 2.620 0.684 6.876 684 HD22 LEU 88 HD22 LEU 88 3.566 0.158 5.485 685 HD23 LEU 88 HD23 LEU 88 2.410 1.476 5.316 686 H LEU 89 H LEU 89 3.383 3.356 2.068 687 HA LEU 89 HA LEU 89 5.268 5.311 0.990 688 HB2 LEU 89 HB2 LEU 89 4.041 3.712 -0.496 689 HB3 LEU 89 HB3 LEU 89 2.540 4.526 -0.054 690 HG LEU 89 HG LEU 89 4.720 6.322 -0.924 691 HD11 LEU 89 HD11 LEU 89 3.493 4.240 -2.735 692 HD12 LEU 89 HD12 LEU 89 5.192 4.687 -2.569 693 HD13 LEU 89 HD13 LEU 89 4.065 5.785 -3.366 694 HD21 LEU 89 HD21 LEU 89 1.839 6.050 -1.825 695 HD22 LEU 89 HD22 LEU 89 2.881 7.462 -1.993 696 HD23 LEU 89 HD23 LEU 89 2.331 6.959 -0.396 697 H GLU 90 H GLU 90 5.261 7.231 1.995 698 HA GLU 90 HA GLU 90 3.077 8.321 3.425 699 HB2 GLU 90 HB2 GLU 90 5.717 8.899 3.291 700 HB3 GLU 90 HB3 GLU 90 5.065 10.203 2.296 701 HG2 GLU 90 HG2 GLU 90 5.043 11.055 4.514 702 HG3 GLU 90 HG3 GLU 90 3.375 10.589 4.185 703 H ASP 91 H ASP 91 1.817 10.199 2.927 704 HA ASP 91 HA ASP 91 0.509 11.544 1.596 705 HB2 ASP 91 HB2 ASP 91 2.327 10.872 -0.714 706 HB3 ASP 91 HB3 ASP 91 1.347 12.319 -0.481 707 H GLY 92 H GLY 92 1.530 8.440 0.281 708 HA2 GLY 92 HA2 GLY 92 0.068 6.696 -0.340 709 HA3 GLY 92 HA3 GLY 92 -1.247 7.864 -0.442 710 H ILE 93 H ILE 93 -1.722 6.810 -2.518 711 HA ILE 93 HA ILE 93 -0.045 6.643 -4.708 712 HB ILE 93 HB ILE 93 -2.313 5.754 -4.753 713 HG12 ILE 93 HG12 ILE 93 -2.707 7.708 -6.885 714 HG13 ILE 93 HG13 ILE 93 -1.039 7.134 -6.827 715 HG21 ILE 93 HG21 ILE 93 -4.226 7.346 -5.032 716 HG22 ILE 93 HG22 ILE 93 -3.120 8.678 -4.700 717 HG23 ILE 93 HG23 ILE 93 -3.449 7.474 -3.455 718 HD11 ILE 93 HD11 ILE 93 -3.508 5.375 -6.923 719 HD12 ILE 93 HD12 ILE 93 -1.843 4.799 -6.848 720 HD13 ILE 93 HD13 ILE 93 -2.408 5.679 -8.268 721 H ASP 94 H ASP 94 -1.462 9.461 -3.240 722 HA ASP 94 HA ASP 94 -1.299 11.307 -5.331 723 HB2 ASP 94 HB2 ASP 94 -2.249 11.615 -2.957 724 HB3 ASP 94 HB3 ASP 94 -0.595 11.998 -2.485 725 H GLY 95 H GLY 95 1.149 10.530 -2.850 726 HA2 GLY 95 HA2 GLY 95 3.184 12.197 -3.856 727 HA3 GLY 95 HA3 GLY 95 3.438 10.782 -2.838 728 H TRP 96 H TRP 96 1.987 9.115 -4.884 729 HA TRP 96 HA TRP 96 4.322 8.435 -6.468 730 HB2 TRP 96 HB2 TRP 96 3.047 6.609 -5.553 731 HB3 TRP 96 HB3 TRP 96 1.552 7.235 -6.246 732 HD1 TRP 96 HD1 TRP 96 1.504 7.339 -9.019 733 HE1 TRP 96 HE1 TRP 96 2.480 5.650 -10.705 734 HE3 TRP 96 HE3 TRP 96 4.835 4.907 -6.006 735 HZ2 TRP 96 HZ2 TRP 96 4.415 3.546 -10.768 736 HZ3 TRP 96 HZ3 TRP 96 6.230 3.066 -6.905 737 HH2 TRP 96 HH2 TRP 96 6.025 2.383 -9.279 738 H LYS 97 H LYS 97 1.142 9.857 -6.938 739 HA LYS 97 HA LYS 97 1.309 9.885 -9.814 740 HB2 LYS 97 HB2 LYS 97 -0.852 9.837 -8.573 741 HB3 LYS 97 HB3 LYS 97 -0.516 11.469 -7.990 742 HG2 LYS 97 HG2 LYS 97 -0.104 11.780 -10.674 743 HG3 LYS 97 HG3 LYS 97 -1.387 10.569 -10.666 744 HD2 LYS 97 HD2 LYS 97 -1.464 13.217 -9.188 745 HD3 LYS 97 HD3 LYS 97 -2.326 12.854 -10.685 746 HE2 LYS 97 HE2 LYS 97 -3.049 10.750 -9.042 747 HE3 LYS 97 HE3 LYS 97 -2.992 12.114 -7.926 748 HZ1 LYS 97 HZ1 LYS 97 -5.023 12.549 -8.711 749 HZ2 LYS 97 HZ2 LYS 97 -4.818 11.582 -10.092 750 HZ3 LYS 97 HZ3 LYS 97 -4.225 13.173 -10.070 751 H ARG 98 H ARG 98 2.142 12.048 -7.190 752 HA ARG 98 HA ARG 98 2.527 14.354 -8.884 753 HB2 ARG 98 HB2 ARG 98 2.548 13.771 -6.047 754 HB3 ARG 98 HB3 ARG 98 3.954 14.736 -6.497 755 HG2 ARG 98 HG2 ARG 98 2.524 16.390 -7.578 756 HG3 ARG 98 HG3 ARG 98 1.096 15.406 -7.257 757 HD2 ARG 98 HD2 ARG 98 1.864 15.565 -4.762 758 HD3 ARG 98 HD3 ARG 98 2.802 16.947 -5.317 759 HE ARG 98 HE ARG 98 0.052 17.065 -6.162 760 HH11 ARG 98 HH21 ARG 98 2.279 17.638 -3.575 761 HH12 ARG 98 HH22 ARG 98 1.307 18.860 -2.827 762 HH21 ARG 98 HH11 ARG 98 -1.225 18.667 -5.186 763 HH22 ARG 98 HH12 ARG 98 -0.675 19.444 -3.739 764 H ALA 99 H ALA 99 4.523 11.796 -7.526 765 HA ALA 99 HA ALA 99 7.035 12.965 -8.244 766 HB1 ALA 99 HB1 ALA 99 6.258 10.116 -7.580 767 HB2 ALA 99 HB2 ALA 99 6.965 11.305 -6.487 768 HB3 ALA 99 HB3 ALA 99 7.918 10.660 -7.824 769 H GLY 100 H GLY 100 4.620 12.067 -10.193 770 HA2 GLY 100 HA2 GLY 100 4.458 11.496 -12.417 771 HA3 GLY 100 HA3 GLY 100 6.136 12.016 -12.551 772 H LEU 101 H LEU 101 4.253 9.274 -11.246 773 HA LEU 101 HA LEU 101 6.332 7.470 -12.322 774 HB2 LEU 101 HB2 LEU 101 4.655 7.218 -9.816 775 HB3 LEU 101 HB3 LEU 101 5.602 5.893 -10.493 776 HG LEU 101 HG LEU 101 6.690 8.577 -9.591 777 HD11 LEU 101 HD11 LEU 101 6.139 7.178 -7.693 778 HD12 LEU 101 HD12 LEU 101 7.887 7.124 -7.917 779 HD13 LEU 101 HD13 LEU 101 6.888 5.773 -8.453 780 HD21 LEU 101 HD21 LEU 101 7.820 6.309 -11.163 781 HD22 LEU 101 HD22 LEU 101 8.860 7.016 -9.926 782 HD23 LEU 101 HD23 LEU 101 8.219 8.026 -11.222 783 HA PRO 102 HA PRO 102 3.611 5.417 -15.065 784 HB2 PRO 102 HB2 PRO 102 4.108 3.055 -13.278 785 HB3 PRO 102 HB3 PRO 102 4.130 3.144 -15.051 786 HG2 PRO 102 HG2 PRO 102 6.379 3.161 -13.589 787 HG3 PRO 102 HG3 PRO 102 6.228 4.048 -15.114 788 HD2 PRO 102 HD2 PRO 102 6.437 5.112 -12.380 789 HD3 PRO 102 HD3 PRO 102 6.649 5.954 -13.929 790 H VAL 103 H VAL 103 1.437 4.899 -15.200 791 HA VAL 103 HA VAL 103 -0.065 4.200 -12.801 792 HB VAL 103 HB VAL 103 0.083 6.720 -12.854 793 HG11 VAL 103 HG11 VAL 103 -0.132 6.601 -15.480 794 HG12 VAL 103 HG12 VAL 103 -0.849 7.952 -14.602 795 HG13 VAL 103 HG13 VAL 103 -1.862 6.613 -15.139 796 HG21 VAL 103 HG21 VAL 103 -2.772 6.269 -13.318 797 HG22 VAL 103 HG22 VAL 103 -1.939 6.728 -11.834 798 HG23 VAL 103 HG23 VAL 103 -2.052 5.029 -12.293 799 H ALA 104 H ALA 104 -2.216 3.466 -13.274 800 HA ALA 104 HA ALA 104 -2.933 3.169 -16.095 801 HB1 ALA 104 HB1 ALA 104 -1.494 1.187 -15.361 802 HB2 ALA 104 HB2 ALA 104 -3.070 0.800 -16.053 803 HB3 ALA 104 HB3 ALA 104 -2.835 0.742 -14.306 804 H VAL 105 H VAL 105 -5.105 3.099 -16.429 805 HA VAL 105 HA VAL 105 -6.798 3.407 -14.046 806 HB VAL 105 HB VAL 105 -7.633 3.838 -16.912 807 HG11 VAL 105 HG11 VAL 105 -8.797 4.233 -14.255 808 HG12 VAL 105 HG12 VAL 105 -9.582 4.222 -15.834 809 HG13 VAL 105 HG13 VAL 105 -8.832 5.700 -15.234 810 HG21 VAL 105 HG21 VAL 105 -5.543 5.135 -16.349 811 HG22 VAL 105 HG22 VAL 105 -6.447 5.913 -15.049 812 HG23 VAL 105 HG23 VAL 105 -6.938 6.145 -16.728 813 H ASN 106 H ASN 106 -8.408 2.001 -13.541 814 HA ASN 106 HA ASN 106 -8.441 -0.538 -14.974 815 HB2 ASN 106 HB2 ASN 106 -8.674 0.148 -12.302 816 HB3 ASN 106 HB3 ASN 106 -10.328 -0.253 -12.764 817 HD21 ASN 106 HD21 ASN 106 -6.977 -1.560 -12.968 818 HD22 ASN 106 HD22 ASN 106 -7.455 -3.188 -12.932 819 H LYS 107 H LYS 107 -9.724 -0.684 -16.701 820 HA LYS 107 HA LYS 107 -12.356 0.660 -16.617 821 HB2 LYS 107 HB2 LYS 107 -10.426 1.006 -18.486 822 HB3 LYS 107 HB3 LYS 107 -11.324 -0.331 -19.206 823 HG2 LYS 107 HG2 LYS 107 -13.406 1.189 -18.480 824 HG3 LYS 107 HG3 LYS 107 -12.203 2.467 -18.661 825 HD2 LYS 107 HD2 LYS 107 -12.956 2.361 -20.840 826 HD3 LYS 107 HD3 LYS 107 -11.679 1.146 -20.920 827 HE2 LYS 107 HE2 LYS 107 -13.745 -0.380 -20.028 828 HE3 LYS 107 HE3 LYS 107 -14.621 0.802 -21.000 829 HZ1 LYS 107 HZ1 LYS 107 -14.034 -0.912 -22.463 830 HZ2 LYS 107 HZ2 LYS 107 -12.452 -1.021 -21.853 831 HZ3 LYS 107 HZ3 LYS 107 -12.918 0.325 -22.778 Start of MODEL 7 1 H MET 1 H1 MET 1 9.210 -4.607 13.727 2 HA MET 1 HA MET 1 6.322 -4.169 13.463 3 HB2 MET 1 HB2 MET 1 6.064 -3.873 15.845 4 HB3 MET 1 HB3 MET 1 6.728 -5.487 15.584 5 HG2 MET 1 HG2 MET 1 9.044 -4.334 15.851 6 HG3 MET 1 HG3 MET 1 8.131 -3.015 16.584 7 HE1 MET 1 HE1 MET 1 8.187 -3.112 19.407 8 HE2 MET 1 HE2 MET 1 6.746 -4.078 19.719 9 HE3 MET 1 HE3 MET 1 6.790 -2.997 18.328 10 H ALA 2 H ALA 2 9.186 -3.177 12.706 11 HA ALA 2 HA ALA 2 9.020 -0.470 13.850 12 HB1 ALA 2 HB1 ALA 2 11.284 -0.176 13.205 13 HB2 ALA 2 HB2 ALA 2 11.230 -1.553 12.104 14 HB3 ALA 2 HB3 ALA 2 11.193 -1.816 13.848 15 H LEU 3 H LEU 3 7.077 -1.286 11.903 16 HA LEU 3 HA LEU 3 7.442 -0.746 9.276 17 HB2 LEU 3 HB2 LEU 3 5.174 0.301 9.273 18 HB3 LEU 3 HB3 LEU 3 5.236 -1.222 10.159 19 HG LEU 3 HG LEU 3 5.863 0.550 12.139 20 HD11 LEU 3 HD11 LEU 3 4.813 2.585 11.902 21 HD12 LEU 3 HD12 LEU 3 3.576 1.941 10.822 22 HD13 LEU 3 HD13 LEU 3 5.192 2.287 10.207 23 HD21 LEU 3 HD21 LEU 3 3.311 -0.701 11.180 24 HD22 LEU 3 HD22 LEU 3 3.246 0.418 12.543 25 HD23 LEU 3 HD23 LEU 3 4.238 -1.037 12.642 26 H THR 4 H THR 4 8.436 0.820 8.184 27 HA THR 4 HA THR 4 8.543 3.520 9.389 28 HB THR 4 HB THR 4 10.524 2.381 7.416 29 HG1 THR 4 HG1 THR 4 11.823 2.143 9.343 30 HG21 THR 4 HG21 THR 4 11.904 4.233 8.156 31 HG22 THR 4 HG22 THR 4 10.719 4.674 9.386 32 HG23 THR 4 HG23 THR 4 10.329 4.867 7.677 33 H THR 5 H THR 5 8.510 5.323 7.937 34 HA THR 5 HA THR 5 6.698 4.906 5.700 35 HB THR 5 HB THR 5 6.797 7.432 5.580 36 HG1 THR 5 HG1 THR 5 8.781 6.898 7.380 37 HG21 THR 5 HG21 THR 5 5.907 5.841 7.949 38 HG22 THR 5 HG22 THR 5 4.945 6.735 6.771 39 HG23 THR 5 HG23 THR 5 5.807 7.599 8.044 40 H ILE 6 H ILE 6 7.144 5.513 3.547 41 HA ILE 6 HA ILE 6 9.947 6.109 2.903 42 HB ILE 6 HB ILE 6 8.712 3.558 2.528 43 HG12 ILE 6 HG12 ILE 6 11.321 4.478 1.338 44 HG13 ILE 6 HG13 ILE 6 11.123 4.286 3.077 45 HG21 ILE 6 HG21 ILE 6 9.513 4.889 -0.073 46 HG22 ILE 6 HG22 ILE 6 7.852 4.513 0.390 47 HG23 ILE 6 HG23 ILE 6 9.015 3.212 0.137 48 HD11 ILE 6 HD11 ILE 6 10.839 1.980 2.931 49 HD12 ILE 6 HD12 ILE 6 11.987 2.263 1.623 50 HD13 ILE 6 HD13 ILE 6 10.272 2.055 1.263 51 H SER 7 H SER 7 10.231 6.742 0.627 52 HA SER 7 HA SER 7 7.914 8.339 -0.254 53 HB2 SER 7 HB2 SER 7 10.583 9.036 0.120 54 HB3 SER 7 HB3 SER 7 10.429 8.868 -1.626 55 HG SER 7 HG SER 7 9.496 10.743 -1.539 56 HA PRO 8 HA PRO 8 6.963 5.743 -3.695 57 HB2 PRO 8 HB2 PRO 8 7.195 8.305 -5.235 58 HB3 PRO 8 HB3 PRO 8 5.914 7.078 -5.277 59 HG2 PRO 8 HG2 PRO 8 5.644 9.391 -3.941 60 HG3 PRO 8 HG3 PRO 8 4.891 7.882 -3.402 61 HD2 PRO 8 HD2 PRO 8 7.133 9.368 -2.192 62 HD3 PRO 8 HD3 PRO 8 6.095 8.117 -1.473 63 H HIS 9 H HIS 9 9.738 7.763 -3.497 64 HA HIS 9 HA HIS 9 11.006 6.869 -5.927 65 HB2 HIS 9 HB2 HIS 9 11.420 9.083 -4.713 66 HB3 HIS 9 HB3 HIS 9 12.383 8.146 -3.570 67 HD1 HIS 9 HD1 HIS 9 12.147 7.986 -7.380 68 HD2 HIS 9 HD2 HIS 9 15.004 8.454 -4.380 69 HE1 HIS 9 HE1 HIS 9 14.395 8.084 -8.541 70 H ASP 10 H ASP 10 11.091 5.966 -2.510 71 HA ASP 10 HA ASP 10 13.328 4.180 -2.810 72 HB2 ASP 10 HB2 ASP 10 11.754 5.225 -0.665 73 HB3 ASP 10 HB3 ASP 10 11.746 3.465 -0.553 74 H ALA 11 H ALA 11 9.814 3.757 -2.431 75 HA ALA 11 HA ALA 11 9.655 0.996 -2.537 76 HB1 ALA 11 HB1 ALA 11 7.615 2.424 -4.127 77 HB2 ALA 11 HB2 ALA 11 7.830 3.010 -2.476 78 HB3 ALA 11 HB3 ALA 11 7.417 1.320 -2.767 79 H GLN 12 H GLN 12 9.842 3.310 -5.218 80 HA GLN 12 HA GLN 12 9.482 1.627 -7.384 81 HB2 GLN 12 HB2 GLN 12 10.106 4.234 -7.130 82 HB3 GLN 12 HB3 GLN 12 11.684 3.605 -7.601 83 HG2 GLN 12 HG2 GLN 12 10.387 2.350 -9.467 84 HG3 GLN 12 HG3 GLN 12 9.086 3.488 -9.121 85 HE21 GLN 12 HE21 GLN 12 11.965 5.059 -8.412 86 HE22 GLN 12 HE22 GLN 12 12.205 5.846 -9.896 87 H GLU 13 H GLU 13 12.535 2.381 -5.706 88 HA GLU 13 HA GLU 13 14.240 0.777 -7.222 89 HB2 GLU 13 HB2 GLU 13 14.599 1.003 -4.252 90 HB3 GLU 13 HB3 GLU 13 15.810 1.082 -5.533 91 HG2 GLU 13 HG2 GLU 13 14.614 3.235 -6.287 92 HG3 GLU 13 HG3 GLU 13 13.812 3.193 -4.719 93 H LEU 14 H LEU 14 11.975 -0.070 -4.693 94 HA LEU 14 HA LEU 14 12.984 -2.733 -4.295 95 HB2 LEU 14 HB2 LEU 14 10.213 -1.734 -3.634 96 HB3 LEU 14 HB3 LEU 14 11.108 -3.050 -2.869 97 HG LEU 14 HG LEU 14 11.643 -0.084 -2.698 98 HD11 LEU 14 HD11 LEU 14 10.262 -0.656 -0.925 99 HD12 LEU 14 HD12 LEU 14 11.843 -0.957 -0.205 100 HD13 LEU 14 HD13 LEU 14 10.888 -2.302 -0.830 101 HD21 LEU 14 HD21 LEU 14 13.808 -0.988 -3.114 102 HD22 LEU 14 HD22 LEU 14 13.481 -2.419 -2.138 103 HD23 LEU 14 HD23 LEU 14 13.699 -0.852 -1.359 104 H ILE 15 H ILE 15 10.289 -1.296 -6.109 105 HA ILE 15 HA ILE 15 9.007 -3.557 -7.028 106 HB ILE 15 HB ILE 15 9.612 -0.954 -8.440 107 HG12 ILE 15 HG12 ILE 15 7.082 -2.074 -7.187 108 HG13 ILE 15 HG13 ILE 15 8.146 -0.890 -6.425 109 HG21 ILE 15 HG21 ILE 15 9.236 -2.595 -10.171 110 HG22 ILE 15 HG22 ILE 15 7.748 -1.667 -9.990 111 HG23 ILE 15 HG23 ILE 15 7.870 -3.283 -9.294 112 HD11 ILE 15 HD11 ILE 15 6.417 -0.558 -8.872 113 HD12 ILE 15 HD12 ILE 15 7.795 0.504 -8.584 114 HD13 ILE 15 HD13 ILE 15 6.472 0.441 -7.419 115 H ALA 16 H ALA 16 12.171 -2.403 -7.728 116 HA ALA 16 HA ALA 16 12.524 -3.961 -10.146 117 HB1 ALA 16 HB1 ALA 16 15.051 -3.306 -9.310 118 HB2 ALA 16 HB2 ALA 16 14.089 -2.013 -8.592 119 HB3 ALA 16 HB3 ALA 16 14.037 -2.288 -10.334 120 H ARG 17 H ARG 17 12.977 -4.355 -6.726 121 HA ARG 17 HA ARG 17 14.664 -6.709 -7.007 122 HB2 ARG 17 HB2 ARG 17 13.479 -5.217 -4.676 123 HB3 ARG 17 HB3 ARG 17 14.216 -6.805 -4.461 124 HG2 ARG 17 HG2 ARG 17 16.311 -5.985 -5.453 125 HG3 ARG 17 HG3 ARG 17 15.579 -4.402 -5.715 126 HD2 ARG 17 HD2 ARG 17 15.920 -3.788 -3.570 127 HD3 ARG 17 HD3 ARG 17 15.266 -5.304 -2.959 128 HE ARG 17 HE ARG 17 17.930 -5.542 -4.067 129 HH11 ARG 17 HH21 ARG 17 15.987 -4.809 -1.299 130 HH12 ARG 17 HH22 ARG 17 17.223 -5.205 -0.153 131 HH21 ARG 17 HH11 ARG 17 19.557 -6.066 -2.570 132 HH22 ARG 17 HH12 ARG 17 19.245 -5.918 -0.873 133 H GLY 18 H GLY 18 11.310 -5.916 -6.231 134 HA2 GLY 18 HA2 GLY 18 9.684 -7.609 -7.121 135 HA3 GLY 18 HA3 GLY 18 10.672 -8.807 -6.293 136 H ALA 19 H ALA 19 10.010 -5.642 -4.949 137 HA ALA 19 HA ALA 19 9.176 -6.599 -2.455 138 HB1 ALA 19 HB1 ALA 19 9.356 -4.029 -3.801 139 HB2 ALA 19 HB2 ALA 19 9.547 -4.413 -2.090 140 HB3 ALA 19 HB3 ALA 19 7.940 -4.115 -2.752 141 H LYS 20 H LYS 20 6.931 -5.892 -1.526 142 HA LYS 20 HA LYS 20 4.849 -6.872 -3.385 143 HB2 LYS 20 HB2 LYS 20 5.541 -7.635 -0.613 144 HB3 LYS 20 HB3 LYS 20 3.822 -7.376 -0.900 145 HG2 LYS 20 HG2 LYS 20 4.271 -8.877 -3.039 146 HG3 LYS 20 HG3 LYS 20 5.657 -9.427 -2.092 147 HD2 LYS 20 HD2 LYS 20 4.253 -10.166 -0.304 148 HD3 LYS 20 HD3 LYS 20 2.845 -9.350 -0.982 149 HE2 LYS 20 HE2 LYS 20 2.336 -11.222 -2.117 150 HE3 LYS 20 HE3 LYS 20 3.850 -11.071 -3.006 151 HZ1 LYS 20 HZ1 LYS 20 3.432 -13.187 -1.645 152 HZ2 LYS 20 HZ2 LYS 20 3.806 -12.227 -0.292 153 HZ3 LYS 20 HZ3 LYS 20 4.953 -12.444 -1.527 154 H LEU 21 H LEU 21 3.990 -4.949 -4.055 155 HA LEU 21 HA LEU 21 3.302 -2.899 -2.088 156 HB2 LEU 21 HB2 LEU 21 3.052 -3.025 -5.100 157 HB3 LEU 21 HB3 LEU 21 2.481 -1.667 -4.132 158 HG LEU 21 HG LEU 21 4.989 -1.931 -3.135 159 HD11 LEU 21 HD11 LEU 21 5.437 -3.770 -4.796 160 HD12 LEU 21 HD12 LEU 21 6.545 -2.405 -4.929 161 HD13 LEU 21 HD13 LEU 21 5.225 -2.586 -6.085 162 HD21 LEU 21 HD21 LEU 21 3.812 0.094 -4.116 163 HD22 LEU 21 HD22 LEU 21 4.384 -0.432 -5.699 164 HD23 LEU 21 HD23 LEU 21 5.542 0.014 -4.446 165 H ILE 22 H ILE 22 1.349 -2.748 -1.166 166 HA ILE 22 HA ILE 22 -0.931 -4.065 -2.506 167 HB ILE 22 HB ILE 22 -0.647 -4.057 0.483 168 HG12 ILE 22 HG12 ILE 22 0.308 -6.254 -1.382 169 HG13 ILE 22 HG13 ILE 22 1.381 -5.143 -0.530 170 HG21 ILE 22 HG21 ILE 22 -2.830 -4.559 -0.670 171 HG22 ILE 22 HG22 ILE 22 -2.227 -5.883 0.325 172 HG23 ILE 22 HG23 ILE 22 -2.050 -5.947 -1.428 173 HD11 ILE 22 HD11 ILE 22 -0.270 -6.033 1.494 174 HD12 ILE 22 HD12 ILE 22 1.340 -6.667 1.148 175 HD13 ILE 22 HD13 ILE 22 -0.085 -7.475 0.494 176 H ASP 23 H ASP 23 -2.854 -3.024 -2.411 177 HA ASP 23 HA ASP 23 -2.831 -0.325 -1.235 178 HB2 ASP 23 HB2 ASP 23 -3.412 -0.562 -3.651 179 HB3 ASP 23 HB3 ASP 23 -4.798 -1.546 -3.188 180 H ILE 24 H ILE 24 -4.536 0.347 0.132 181 HA ILE 24 HA ILE 24 -6.502 -1.621 0.953 182 HB ILE 24 HB ILE 24 -5.900 -1.701 3.270 183 HG12 ILE 24 HG12 ILE 24 -5.039 0.438 3.825 184 HG13 ILE 24 HG13 ILE 24 -3.651 -0.634 3.956 185 HG21 ILE 24 HG21 ILE 24 -3.399 -2.075 1.607 186 HG22 ILE 24 HG22 ILE 24 -4.724 -3.235 1.713 187 HG23 ILE 24 HG23 ILE 24 -3.763 -2.858 3.143 188 HD11 ILE 24 HD11 ILE 24 -3.108 -0.020 1.539 189 HD12 ILE 24 HD12 ILE 24 -2.877 1.253 2.734 190 HD13 ILE 24 HD13 ILE 24 -4.302 1.266 1.701 191 H ARG 25 H ARG 25 -8.026 -0.234 0.215 192 HA ARG 25 HA ARG 25 -8.958 1.769 2.023 193 HB2 ARG 25 HB2 ARG 25 -8.774 3.700 0.525 194 HB3 ARG 25 HB3 ARG 25 -7.175 3.064 0.904 195 HG2 ARG 25 HG2 ARG 25 -7.132 1.841 -1.223 196 HG3 ARG 25 HG3 ARG 25 -8.752 2.422 -1.605 197 HD2 ARG 25 HD2 ARG 25 -8.026 4.534 -2.111 198 HD3 ARG 25 HD3 ARG 25 -6.747 4.494 -0.902 199 HE ARG 25 HE ARG 25 -6.569 3.515 -3.654 200 HH11 ARG 25 HH21 ARG 25 -5.223 3.784 -0.479 201 HH12 ARG 25 HH22 ARG 25 -3.603 3.439 -0.985 202 HH21 ARG 25 HH11 ARG 25 -4.445 3.063 -4.328 203 HH22 ARG 25 HH12 ARG 25 -3.162 3.030 -3.165 204 H ASP 26 H ASP 26 -10.225 3.201 -0.336 205 HA ASP 26 HA ASP 26 -12.384 1.249 -0.729 206 HB2 ASP 26 HB2 ASP 26 -12.641 4.039 -1.719 207 HB3 ASP 26 HB3 ASP 26 -13.824 3.017 -0.904 208 H ALA 27 H ALA 27 -12.048 -0.007 -2.471 209 HA ALA 27 HA ALA 27 -10.443 0.330 -4.631 210 HB1 ALA 27 HB1 ALA 27 -13.230 -0.741 -5.021 211 HB2 ALA 27 HB2 ALA 27 -12.032 -1.623 -4.075 212 HB3 ALA 27 HB3 ALA 27 -11.729 -1.274 -5.777 213 H ASP 28 H ASP 28 -13.408 2.031 -3.976 214 HA ASP 28 HA ASP 28 -14.054 2.971 -6.534 215 HB2 ASP 28 HB2 ASP 28 -15.496 3.279 -4.551 216 HB3 ASP 28 HB3 ASP 28 -14.330 4.425 -3.892 217 H GLU 29 H GLU 29 -11.712 4.111 -4.159 218 HA GLU 29 HA GLU 29 -10.954 6.422 -5.727 219 HB2 GLU 29 HB2 GLU 29 -9.936 5.150 -3.191 220 HB3 GLU 29 HB3 GLU 29 -9.054 6.459 -3.973 221 HG2 GLU 29 HG2 GLU 29 -11.482 7.585 -3.976 222 HG3 GLU 29 HG3 GLU 29 -11.702 6.511 -2.596 223 H TYR 30 H TYR 30 -9.850 3.136 -5.233 224 HA TYR 30 HA TYR 30 -7.335 3.513 -6.596 225 HB2 TYR 30 HB2 TYR 30 -7.918 1.755 -4.795 226 HB3 TYR 30 HB3 TYR 30 -8.673 0.860 -6.114 227 HD1 TYR 30 HD2 TYR 30 -5.503 2.831 -5.624 228 HD2 TYR 30 HD1 TYR 30 -7.336 -0.783 -7.052 229 HE1 TYR 30 HE2 TYR 30 -3.282 1.982 -6.327 230 HE2 TYR 30 HE1 TYR 30 -5.113 -1.632 -7.751 231 HH TYR 30 HH TYR 30 -2.571 -1.064 -6.877 232 H LEU 31 H LEU 31 -10.575 2.463 -7.452 233 HA LEU 31 HA LEU 31 -10.011 1.247 -9.925 234 HB2 LEU 31 HB2 LEU 31 -12.231 1.286 -8.640 235 HB3 LEU 31 HB3 LEU 31 -12.497 2.866 -9.378 236 HG LEU 31 HG LEU 31 -11.877 1.606 -11.606 237 HD11 LEU 31 HD11 LEU 31 -12.238 -0.714 -11.638 238 HD12 LEU 31 HD12 LEU 31 -13.107 -0.695 -10.104 239 HD13 LEU 31 HD13 LEU 31 -11.357 -0.484 -10.128 240 HD21 LEU 31 HD21 LEU 31 -14.235 1.194 -11.985 241 HD22 LEU 31 HD22 LEU 31 -14.096 2.620 -10.956 242 HD23 LEU 31 HD23 LEU 31 -14.538 1.064 -10.253 243 H ARG 32 H ARG 32 -11.078 4.588 -9.250 244 HA ARG 32 HA ARG 32 -10.893 5.582 -11.847 245 HB2 ARG 32 HB2 ARG 32 -10.532 6.902 -9.157 246 HB3 ARG 32 HB3 ARG 32 -10.469 7.811 -10.667 247 HG2 ARG 32 HG2 ARG 32 -12.728 6.652 -11.209 248 HG3 ARG 32 HG3 ARG 32 -12.790 6.299 -9.482 249 HD2 ARG 32 HD2 ARG 32 -13.716 8.356 -9.279 250 HD3 ARG 32 HD3 ARG 32 -12.076 8.956 -9.503 251 HE ARG 32 HE ARG 32 -13.286 8.513 -12.031 252 HH11 ARG 32 HH21 ARG 32 -13.375 10.586 -9.261 253 HH12 ARG 32 HH22 ARG 32 -13.941 11.967 -10.141 254 HH21 ARG 32 HH11 ARG 32 -14.028 10.319 -13.191 255 HH22 ARG 32 HH12 ARG 32 -14.311 11.816 -12.366 256 H GLU 33 H GLU 33 -8.423 4.650 -9.655 257 HA GLU 33 HA GLU 33 -6.369 5.124 -11.612 258 HB2 GLU 33 HB2 GLU 33 -6.752 7.369 -10.371 259 HB3 GLU 33 HB3 GLU 33 -5.978 6.571 -9.002 260 HG2 GLU 33 HG2 GLU 33 -4.049 6.002 -10.507 261 HG3 GLU 33 HG3 GLU 33 -4.804 6.979 -11.765 262 H HIS 34 H HIS 34 -5.122 3.369 -11.460 263 HA HIS 34 HA HIS 34 -4.443 2.346 -8.784 264 HB2 HIS 34 HB2 HIS 34 -4.780 0.020 -9.599 265 HB3 HIS 34 HB3 HIS 34 -6.281 0.943 -9.532 266 HD1 HIS 34 HD1 HIS 34 -4.001 -0.804 -11.870 267 HD2 HIS 34 HD2 HIS 34 -7.240 1.807 -12.143 268 HE1 HIS 34 HE1 HIS 34 -4.778 -0.877 -14.279 269 H ILE 35 H ILE 35 -2.562 0.906 -8.808 270 HA ILE 35 HA ILE 35 -0.639 1.786 -10.840 271 HB ILE 35 HB ILE 35 -0.055 0.293 -8.283 272 HG12 ILE 35 HG12 ILE 35 -0.184 3.287 -8.781 273 HG13 ILE 35 HG13 ILE 35 -1.286 2.364 -7.759 274 HG21 ILE 35 HG21 ILE 35 2.158 1.451 -8.604 275 HG22 ILE 35 HG22 ILE 35 1.577 2.015 -10.170 276 HG23 ILE 35 HG23 ILE 35 1.774 0.288 -9.872 277 HD11 ILE 35 HD11 ILE 35 1.645 2.931 -7.318 278 HD12 ILE 35 HD12 ILE 35 0.831 1.603 -6.488 279 HD13 ILE 35 HD13 ILE 35 0.289 3.263 -6.239 280 HA PRO 36 HA PRO 36 -0.930 -2.341 -12.555 281 HB2 PRO 36 HB2 PRO 36 0.863 -2.042 -14.564 282 HB3 PRO 36 HB3 PRO 36 -0.742 -1.287 -14.603 283 HG2 PRO 36 HG2 PRO 36 1.898 -0.081 -13.951 284 HG3 PRO 36 HG3 PRO 36 0.544 0.596 -14.871 285 HD2 PRO 36 HD2 PRO 36 1.070 1.204 -12.223 286 HD3 PRO 36 HD3 PRO 36 -0.529 1.351 -12.983 287 H GLU 37 H GLU 37 1.059 -1.478 -10.394 288 HA GLU 37 HA GLU 37 2.829 -3.808 -10.673 289 HB2 GLU 37 HB2 GLU 37 3.847 -1.093 -9.811 290 HB3 GLU 37 HB3 GLU 37 4.793 -2.563 -10.049 291 HG2 GLU 37 HG2 GLU 37 3.974 -2.537 -12.468 292 HG3 GLU 37 HG3 GLU 37 3.387 -0.906 -12.150 293 H ALA 38 H ALA 38 0.422 -3.060 -9.067 294 HA ALA 38 HA ALA 38 1.519 -3.823 -6.464 295 HB1 ALA 38 HB1 ALA 38 1.261 -1.245 -6.688 296 HB2 ALA 38 HB2 ALA 38 0.613 -2.041 -5.254 297 HB3 ALA 38 HB3 ALA 38 -0.468 -1.573 -6.566 298 H ASP 39 H ASP 39 0.017 -4.848 -5.107 299 HA ASP 39 HA ASP 39 -2.233 -6.036 -6.530 300 HB2 ASP 39 HB2 ASP 39 -0.670 -7.412 -5.143 301 HB3 ASP 39 HB3 ASP 39 -1.257 -6.561 -3.715 302 H LEU 40 H LEU 40 -4.378 -5.881 -5.907 303 HA LEU 40 HA LEU 40 -5.004 -3.554 -4.213 304 HB2 LEU 40 HB2 LEU 40 -5.913 -3.497 -6.489 305 HB3 LEU 40 HB3 LEU 40 -6.716 -5.044 -6.219 306 HG LEU 40 HG LEU 40 -7.985 -4.020 -4.334 307 HD11 LEU 40 HD11 LEU 40 -6.977 -2.174 -3.468 308 HD12 LEU 40 HD12 LEU 40 -7.839 -1.314 -4.743 309 HD13 LEU 40 HD13 LEU 40 -6.158 -1.794 -4.983 310 HD21 LEU 40 HD21 LEU 40 -9.416 -3.884 -6.099 311 HD22 LEU 40 HD22 LEU 40 -8.179 -3.227 -7.170 312 HD23 LEU 40 HD23 LEU 40 -9.040 -2.162 -6.060 313 H ALA 41 H ALA 41 -5.564 -3.979 -2.178 314 HA ALA 41 HA ALA 41 -7.353 -6.239 -1.633 315 HB1 ALA 41 HB1 ALA 41 -5.985 -6.952 0.286 316 HB2 ALA 41 HB2 ALA 41 -4.758 -5.762 -0.148 317 HB3 ALA 41 HB3 ALA 41 -5.097 -7.114 -1.229 318 HA PRO 42 HA PRO 42 -8.993 -2.400 0.270 319 HB2 PRO 42 HB2 PRO 42 -11.136 -4.403 0.836 320 HB3 PRO 42 HB3 PRO 42 -11.274 -2.750 0.210 321 HG2 PRO 42 HG2 PRO 42 -11.538 -4.882 -1.376 322 HG3 PRO 42 HG3 PRO 42 -10.797 -3.375 -1.939 323 HD2 PRO 42 HD2 PRO 42 -9.506 -5.978 -1.303 324 HD3 PRO 42 HD3 PRO 42 -8.980 -4.699 -2.421 325 H LEU 43 H LEU 43 -8.170 -1.893 2.198 326 HA LEU 43 HA LEU 43 -7.117 -3.426 4.140 327 HB2 LEU 43 HB2 LEU 43 -6.960 -1.499 5.299 328 HB3 LEU 43 HB3 LEU 43 -7.759 -0.759 3.915 329 HG LEU 43 HG LEU 43 -9.972 -1.358 5.047 330 HD11 LEU 43 HD11 LEU 43 -9.884 -2.583 6.930 331 HD12 LEU 43 HD12 LEU 43 -8.982 -1.288 7.717 332 HD13 LEU 43 HD13 LEU 43 -8.121 -2.571 6.869 333 HD21 LEU 43 HD21 LEU 43 -9.325 0.927 5.057 334 HD22 LEU 43 HD22 LEU 43 -7.995 0.628 6.175 335 HD23 LEU 43 HD23 LEU 43 -9.661 0.557 6.749 336 H SER 44 H SER 44 -10.561 -2.861 3.666 337 HA SER 44 HA SER 44 -11.394 -4.052 6.123 338 HB2 SER 44 HB2 SER 44 -13.045 -2.695 5.261 339 HB3 SER 44 HB3 SER 44 -12.729 -3.182 3.598 340 HG SER 44 HG SER 44 -14.525 -4.277 4.066 341 H VAL 45 H VAL 45 -10.665 -5.304 2.931 342 HA VAL 45 HA VAL 45 -11.951 -7.834 3.308 343 HB VAL 45 HB VAL 45 -11.093 -6.577 1.117 344 HG11 VAL 45 HG11 VAL 45 -8.893 -8.587 1.665 345 HG12 VAL 45 HG12 VAL 45 -8.693 -6.847 1.869 346 HG13 VAL 45 HG13 VAL 45 -9.035 -7.514 0.273 347 HG21 VAL 45 HG21 VAL 45 -12.493 -8.668 1.327 348 HG22 VAL 45 HG22 VAL 45 -10.994 -9.596 1.380 349 HG23 VAL 45 HG23 VAL 45 -11.404 -8.665 -0.060 350 H LEU 46 H LEU 46 -8.598 -6.697 3.645 351 HA LEU 46 HA LEU 46 -7.595 -9.293 4.366 352 HB2 LEU 46 HB2 LEU 46 -6.263 -7.399 3.314 353 HB3 LEU 46 HB3 LEU 46 -6.261 -6.643 4.907 354 HG LEU 46 HG LEU 46 -5.320 -8.813 5.823 355 HD11 LEU 46 HD11 LEU 46 -5.722 -10.481 4.267 356 HD12 LEU 46 HD12 LEU 46 -4.069 -10.050 3.830 357 HD13 LEU 46 HD13 LEU 46 -5.422 -9.418 2.893 358 HD21 LEU 46 HD21 LEU 46 -3.773 -7.226 3.754 359 HD22 LEU 46 HD22 LEU 46 -3.017 -8.375 4.858 360 HD23 LEU 46 HD23 LEU 46 -3.828 -6.944 5.495 361 H GLU 47 H GLU 47 -9.099 -6.695 6.069 362 HA GLU 47 HA GLU 47 -8.031 -7.387 8.662 363 HB2 GLU 47 HB2 GLU 47 -8.824 -5.084 7.993 364 HB3 GLU 47 HB3 GLU 47 -10.471 -5.711 8.065 365 HG2 GLU 47 HG2 GLU 47 -9.466 -6.591 10.451 366 HG3 GLU 47 HG3 GLU 47 -8.608 -5.063 10.261 367 H GLN 48 H GLN 48 -11.040 -7.980 6.887 368 HA GLN 48 HA GLN 48 -12.111 -9.528 9.128 369 HB2 GLN 48 HB2 GLN 48 -13.356 -8.989 6.425 370 HB3 GLN 48 HB3 GLN 48 -14.169 -9.601 7.867 371 HG2 GLN 48 HG2 GLN 48 -13.401 -7.446 9.026 372 HG3 GLN 48 HG3 GLN 48 -13.004 -6.850 7.416 373 HE21 GLN 48 HE21 GLN 48 -15.732 -8.072 9.391 374 HE22 GLN 48 HE22 GLN 48 -16.937 -7.310 8.471 375 H SER 49 H SER 49 -11.056 -9.995 5.771 376 HA SER 49 HA SER 49 -11.720 -12.746 5.612 377 HB2 SER 49 HB2 SER 49 -11.166 -11.177 3.685 378 HB3 SER 49 HB3 SER 49 -9.473 -11.405 4.114 379 HG SER 49 HG SER 49 -9.756 -13.627 3.792 380 H GLY 50 H GLY 50 -8.447 -11.360 5.747 381 HA2 GLY 50 HA2 GLY 50 -6.749 -11.955 7.301 382 HA3 GLY 50 HA3 GLY 50 -7.676 -13.390 7.725 383 H LEU 51 H LEU 51 -5.715 -11.923 5.182 384 HA LEU 51 HA LEU 51 -5.086 -14.638 4.190 385 HB2 LEU 51 HB2 LEU 51 -6.326 -13.156 2.582 386 HB3 LEU 51 HB3 LEU 51 -4.943 -12.062 2.614 387 HG LEU 51 HG LEU 51 -3.524 -14.128 2.010 388 HD11 LEU 51 HD11 LEU 51 -5.614 -15.423 0.544 389 HD12 LEU 51 HD12 LEU 51 -6.113 -15.321 2.232 390 HD13 LEU 51 HD13 LEU 51 -4.589 -16.101 1.808 391 HD21 LEU 51 HD21 LEU 51 -4.107 -13.881 -0.409 392 HD22 LEU 51 HD22 LEU 51 -3.967 -12.328 0.416 393 HD23 LEU 51 HD23 LEU 51 -5.560 -13.000 0.061 394 HA PRO 52 HA PRO 52 -1.194 -13.124 6.095 395 HB2 PRO 52 HB2 PRO 52 -0.548 -16.002 5.801 396 HB3 PRO 52 HB3 PRO 52 -0.440 -14.962 7.231 397 HG2 PRO 52 HG2 PRO 52 -2.345 -16.824 6.963 398 HG3 PRO 52 HG3 PRO 52 -2.631 -15.288 7.799 399 HD2 PRO 52 HD2 PRO 52 -3.517 -16.141 5.072 400 HD3 PRO 52 HD3 PRO 52 -4.337 -15.094 6.253 401 H ALA 53 H ALA 53 -2.004 -13.471 3.119 402 HA ALA 53 HA ALA 53 -0.054 -14.648 1.579 403 HB1 ALA 53 HB1 ALA 53 -1.739 -12.200 1.226 404 HB2 ALA 53 HB2 ALA 53 -1.746 -13.707 0.309 405 HB3 ALA 53 HB3 ALA 53 -0.459 -12.528 0.057 406 H LYS 54 H LYS 54 0.229 -11.939 3.679 407 HA LYS 54 HA LYS 54 2.475 -10.648 2.551 408 HB2 LYS 54 HB2 LYS 54 1.353 -9.413 4.194 409 HB3 LYS 54 HB3 LYS 54 1.286 -10.778 5.309 410 HG2 LYS 54 HG2 LYS 54 3.425 -10.445 6.065 411 HG3 LYS 54 HG3 LYS 54 3.994 -9.847 4.507 412 HD2 LYS 54 HD2 LYS 54 3.965 -8.023 6.143 413 HD3 LYS 54 HD3 LYS 54 2.766 -7.728 4.884 414 HE2 LYS 54 HE2 LYS 54 1.825 -9.262 7.248 415 HE3 LYS 54 HE3 LYS 54 2.183 -7.556 7.517 416 HZ1 LYS 54 HZ1 LYS 54 0.832 -7.431 5.230 417 HZ2 LYS 54 HZ2 LYS 54 0.100 -7.300 6.758 418 HZ3 LYS 54 HZ3 LYS 54 0.086 -8.783 5.931 419 H LEU 55 H LEU 55 2.118 -13.542 4.452 420 HA LEU 55 HA LEU 55 4.886 -13.722 5.228 421 HB2 LEU 55 HB2 LEU 55 2.508 -15.549 5.368 422 HB3 LEU 55 HB3 LEU 55 4.127 -16.185 5.660 423 HG LEU 55 HG LEU 55 4.483 -14.465 7.403 424 HD11 LEU 55 HD11 LEU 55 2.110 -13.422 8.105 425 HD12 LEU 55 HD12 LEU 55 1.833 -13.568 6.370 426 HD13 LEU 55 HD13 LEU 55 3.188 -12.611 6.968 427 HD21 LEU 55 HD21 LEU 55 3.133 -16.775 7.660 428 HD22 LEU 55 HD22 LEU 55 1.854 -15.663 8.147 429 HD23 LEU 55 HD23 LEU 55 3.386 -15.684 9.022 430 H ARG 56 H ARG 56 3.247 -14.164 2.329 431 HA ARG 56 HA ARG 56 4.845 -16.354 1.330 432 HB2 ARG 56 HB2 ARG 56 2.997 -14.437 -0.110 433 HB3 ARG 56 HB3 ARG 56 3.730 -15.873 -0.825 434 HG2 ARG 56 HG2 ARG 56 2.617 -17.272 0.905 435 HG3 ARG 56 HG3 ARG 56 1.830 -15.826 1.538 436 HD2 ARG 56 HD2 ARG 56 0.272 -16.919 0.051 437 HD3 ARG 56 HD3 ARG 56 0.838 -15.453 -0.743 438 HE ARG 56 HE ARG 56 2.044 -16.788 -2.272 439 HH11 ARG 56 HH21 ARG 56 0.497 -18.627 0.221 440 HH12 ARG 56 HH22 ARG 56 0.700 -20.146 -0.585 441 HH21 ARG 56 HH11 ARG 56 2.312 -18.778 -3.332 442 HH22 ARG 56 HH12 ARG 56 1.727 -20.231 -2.595 443 H HIS 57 H HIS 57 5.791 -13.515 2.227 444 HA HIS 57 HA HIS 57 7.899 -13.356 0.212 445 HB2 HIS 57 HB2 HIS 57 5.790 -11.727 -0.171 446 HB3 HIS 57 HB3 HIS 57 6.719 -10.736 0.954 447 HD1 HIS 57 HD1 HIS 57 8.096 -13.051 -1.726 448 HD2 HIS 57 HD2 HIS 57 7.976 -8.985 -0.812 449 HE1 HIS 57 HE1 HIS 57 9.590 -11.893 -3.413 450 H GLU 58 H GLU 58 8.563 -10.642 1.302 451 HA GLU 58 HA GLU 58 9.210 -11.180 4.097 452 HB2 GLU 58 HB2 GLU 58 11.090 -12.240 3.014 453 HB3 GLU 58 HB3 GLU 58 11.323 -10.850 1.955 454 HG2 GLU 58 HG2 GLU 58 11.858 -9.438 3.882 455 HG3 GLU 58 HG3 GLU 58 11.565 -10.789 4.974 456 H GLN 59 H GLN 59 9.361 -9.056 1.293 457 HA GLN 59 HA GLN 59 9.423 -6.725 3.114 458 HB2 GLN 59 HB2 GLN 59 10.809 -7.313 0.634 459 HB3 GLN 59 HB3 GLN 59 9.851 -5.840 0.484 460 HG2 GLN 59 HG2 GLN 59 10.923 -4.851 2.394 461 HG3 GLN 59 HG3 GLN 59 11.706 -6.372 2.815 462 HE21 GLN 59 HE21 GLN 59 13.875 -6.356 2.240 463 HE22 GLN 59 HE22 GLN 59 14.520 -5.575 0.878 464 H ILE 60 H ILE 60 7.682 -5.396 3.131 465 HA ILE 60 HA ILE 60 5.682 -5.716 0.990 466 HB ILE 60 HB ILE 60 4.689 -5.289 3.746 467 HG12 ILE 60 HG12 ILE 60 4.751 -7.859 4.005 468 HG13 ILE 60 HG13 ILE 60 6.019 -7.823 2.783 469 HG21 ILE 60 HG21 ILE 60 3.673 -7.391 1.902 470 HG22 ILE 60 HG22 ILE 60 3.512 -5.722 1.354 471 HG23 ILE 60 HG23 ILE 60 2.780 -6.224 2.879 472 HD11 ILE 60 HD11 ILE 60 6.244 -7.279 5.583 473 HD12 ILE 60 HD12 ILE 60 6.610 -5.796 4.703 474 HD13 ILE 60 HD13 ILE 60 7.518 -7.269 4.364 475 H ILE 61 H ILE 61 4.303 -3.932 0.669 476 HA ILE 61 HA ILE 61 4.968 -1.442 2.073 477 HB ILE 61 HB ILE 61 4.853 -1.558 -0.940 478 HG12 ILE 61 HG12 ILE 61 7.203 -1.817 0.951 479 HG13 ILE 61 HG13 ILE 61 6.764 -2.882 -0.386 480 HG21 ILE 61 HG21 ILE 61 4.452 0.586 0.461 481 HG22 ILE 61 HG22 ILE 61 5.647 0.668 -0.834 482 HG23 ILE 61 HG23 ILE 61 6.172 0.492 0.841 483 HD11 ILE 61 HD11 ILE 61 7.018 -0.585 -1.753 484 HD12 ILE 61 HD12 ILE 61 8.383 -1.661 -1.461 485 HD13 ILE 61 HD13 ILE 61 8.142 -0.244 -0.438 486 H PHE 62 H PHE 62 3.163 -0.411 2.619 487 HA PHE 62 HA PHE 62 0.664 -1.136 1.224 488 HB2 PHE 62 HB2 PHE 62 1.210 -0.149 4.024 489 HB3 PHE 62 HB3 PHE 62 -0.412 -0.195 3.329 490 HD1 PHE 62 HD2 PHE 62 2.447 -2.214 4.484 491 HD2 PHE 62 HD1 PHE 62 -1.518 -2.313 2.835 492 HE1 PHE 62 HE2 PHE 62 2.287 -4.630 5.016 493 HE2 PHE 62 HE1 PHE 62 -1.678 -4.730 3.366 494 HZ PHE 62 HZ PHE 62 0.225 -5.889 4.457 495 H HIS 63 H HIS 63 -0.815 0.469 0.622 496 HA HIS 63 HA HIS 63 0.111 3.260 0.796 497 HB2 HIS 63 HB2 HIS 63 -1.078 2.895 -1.764 498 HB3 HIS 63 HB3 HIS 63 0.582 3.362 -1.390 499 HD1 HIS 63 HD1 HIS 63 -1.427 0.589 -2.715 500 HD2 HIS 63 HD2 HIS 63 2.362 1.027 -1.034 501 HE1 HIS 63 HE1 HIS 63 -0.149 -1.524 -3.267 502 H CYS 64 H CYS 64 -1.478 4.670 1.226 503 HA CYS 64 HA CYS 64 -4.268 3.699 1.046 504 HB2 CYS 64 HB2 CYS 64 -3.907 3.954 3.337 505 HB3 CYS 64 HB3 CYS 64 -2.861 5.355 3.115 506 HG CYS 64 HG CYS 64 -5.360 6.367 2.123 507 H GLN 65 H GLN 65 -5.883 5.251 0.494 508 HA GLN 65 HA GLN 65 -5.569 6.755 -1.708 509 HB2 GLN 65 HB2 GLN 65 -7.546 7.943 -1.162 510 HB3 GLN 65 HB3 GLN 65 -7.704 6.388 -0.347 511 HG2 GLN 65 HG2 GLN 65 -6.556 7.618 1.660 512 HG3 GLN 65 HG3 GLN 65 -7.080 9.082 0.829 513 HE21 GLN 65 HE21 GLN 65 -8.108 6.600 2.961 514 HE22 GLN 65 HE22 GLN 65 -9.770 6.941 2.918 515 H ALA 66 H ALA 66 -4.626 7.732 1.540 516 HA ALA 66 HA ALA 66 -3.166 9.998 0.362 517 HB1 ALA 66 HB1 ALA 66 -4.086 11.600 1.740 518 HB2 ALA 66 HB2 ALA 66 -4.524 10.431 2.985 519 HB3 ALA 66 HB3 ALA 66 -5.489 10.555 1.515 520 H GLY 67 H GLY 67 -3.680 7.838 3.109 521 HA2 GLY 67 HA2 GLY 67 -1.375 6.823 3.730 522 HA3 GLY 67 HA3 GLY 67 -0.996 8.493 4.134 523 H LYS 68 H LYS 68 -4.155 8.311 4.778 524 HA LYS 68 HA LYS 68 -3.719 8.043 7.633 525 HB2 LYS 68 HB2 LYS 68 -5.421 9.564 6.101 526 HB3 LYS 68 HB3 LYS 68 -6.489 8.291 6.694 527 HG2 LYS 68 HG2 LYS 68 -6.613 9.832 8.437 528 HG3 LYS 68 HG3 LYS 68 -5.313 8.782 9.000 529 HD2 LYS 68 HD2 LYS 68 -3.632 10.323 8.327 530 HD3 LYS 68 HD3 LYS 68 -4.767 11.254 7.350 531 HE2 LYS 68 HE2 LYS 68 -4.046 11.999 9.840 532 HE3 LYS 68 HE3 LYS 68 -5.633 12.360 9.161 533 HZ1 LYS 68 HZ1 LYS 68 -4.874 10.371 11.162 534 HZ2 LYS 68 HZ2 LYS 68 -6.127 9.962 10.089 535 HZ3 LYS 68 HZ3 LYS 68 -6.261 11.342 11.073 536 H ARG 69 H ARG 69 -5.624 6.397 5.125 537 HA ARG 69 HA ARG 69 -6.860 4.492 6.769 538 HB2 ARG 69 HB2 ARG 69 -7.185 5.079 4.227 539 HB3 ARG 69 HB3 ARG 69 -5.998 3.800 3.981 540 HG2 ARG 69 HG2 ARG 69 -7.649 2.290 4.193 541 HG3 ARG 69 HG3 ARG 69 -7.843 2.791 5.871 542 HD2 ARG 69 HD2 ARG 69 -9.195 4.090 3.492 543 HD3 ARG 69 HD3 ARG 69 -9.968 2.980 4.619 544 HE ARG 69 HE ARG 69 -9.533 5.760 5.043 545 HH11 ARG 69 HH21 ARG 69 -9.445 2.671 6.601 546 HH12 ARG 69 HH22 ARG 69 -9.796 3.302 8.175 547 HH21 ARG 69 HH11 ARG 69 -9.989 6.594 7.105 548 HH22 ARG 69 HH12 ARG 69 -10.103 5.522 8.461 549 H THR 70 H THR 70 -3.665 4.575 5.307 550 HA THR 70 HA THR 70 -3.013 1.845 5.878 551 HB THR 70 HB THR 70 -1.270 4.237 5.246 552 HG1 THR 70 HG1 THR 70 -1.349 3.450 3.208 553 HG21 THR 70 HG21 THR 70 -0.656 1.430 5.968 554 HG22 THR 70 HG22 THR 70 0.344 2.875 6.111 555 HG23 THR 70 HG23 THR 70 0.191 2.060 4.555 556 H SER 71 H SER 71 -2.251 4.953 7.432 557 HA SER 71 HA SER 71 -0.657 3.902 9.511 558 HB2 SER 71 HB2 SER 71 -1.412 6.084 10.688 559 HB3 SER 71 HB3 SER 71 -0.475 6.215 9.203 560 HG SER 71 HG SER 71 -3.236 6.015 8.943 561 H ASN 72 H ASN 72 -4.107 4.080 9.068 562 HA ASN 72 HA ASN 72 -4.681 3.508 11.863 563 HB2 ASN 72 HB2 ASN 72 -6.098 4.782 9.910 564 HB3 ASN 72 HB3 ASN 72 -6.835 3.181 9.880 565 HD21 ASN 72 HD21 ASN 72 -7.559 2.324 12.098 566 HD22 ASN 72 HD22 ASN 72 -8.128 3.456 13.228 567 H ASN 73 H ASN 73 -4.320 1.796 8.848 568 HA ASN 73 HA ASN 73 -5.316 -0.686 10.089 569 HB2 ASN 73 HB2 ASN 73 -5.965 0.244 7.688 570 HB3 ASN 73 HB3 ASN 73 -4.462 -0.556 7.231 571 HD21 ASN 73 HD21 ASN 73 -5.185 -2.477 6.247 572 HD22 ASN 73 HD22 ASN 73 -6.238 -3.585 6.986 573 H ALA 74 H ALA 74 -2.454 0.981 9.384 574 HA ALA 74 HA ALA 74 -0.658 -1.025 8.668 575 HB1 ALA 74 HB1 ALA 74 0.142 1.201 8.630 576 HB2 ALA 74 HB2 ALA 74 1.030 0.426 9.942 577 HB3 ALA 74 HB3 ALA 74 -0.331 1.486 10.305 578 H ASP 75 H ASP 75 -2.000 -0.192 11.815 579 HA ASP 75 HA ASP 75 -0.269 -1.754 13.409 580 HB2 ASP 75 HB2 ASP 75 -1.635 -0.141 14.505 581 HB3 ASP 75 HB3 ASP 75 -3.109 -0.812 13.808 582 H LYS 76 H LYS 76 -3.188 -2.529 11.599 583 HA LYS 76 HA LYS 76 -3.508 -5.153 12.709 584 HB2 LYS 76 HB2 LYS 76 -4.659 -3.696 10.345 585 HB3 LYS 76 HB3 LYS 76 -4.945 -5.424 10.559 586 HG2 LYS 76 HG2 LYS 76 -5.396 -3.563 12.871 587 HG3 LYS 76 HG3 LYS 76 -6.621 -3.687 11.609 588 HD2 LYS 76 HD2 LYS 76 -6.812 -6.082 11.949 589 HD3 LYS 76 HD3 LYS 76 -5.471 -6.066 13.094 590 HE2 LYS 76 HE2 LYS 76 -7.031 -5.796 14.705 591 HE3 LYS 76 HE3 LYS 76 -7.205 -4.146 14.107 592 HZ1 LYS 76 HZ1 LYS 76 -9.024 -6.322 13.930 593 HZ2 LYS 76 HZ2 LYS 76 -8.676 -5.701 12.388 594 HZ3 LYS 76 HZ3 LYS 76 -9.282 -4.679 13.603 595 H LEU 77 H LEU 77 -1.826 -3.790 9.941 596 HA LEU 77 HA LEU 77 -1.215 -6.332 8.742 597 HB2 LEU 77 HB2 LEU 77 0.180 -3.686 8.294 598 HB3 LEU 77 HB3 LEU 77 0.135 -5.073 7.204 599 HG LEU 77 HG LEU 77 -2.339 -3.566 8.089 600 HD11 LEU 77 HD11 LEU 77 -1.397 -1.930 6.772 601 HD12 LEU 77 HD12 LEU 77 -2.096 -2.922 5.492 602 HD13 LEU 77 HD13 LEU 77 -0.385 -3.076 5.892 603 HD21 LEU 77 HD21 LEU 77 -2.768 -4.807 5.638 604 HD22 LEU 77 HD22 LEU 77 -3.310 -5.412 7.203 605 HD23 LEU 77 HD23 LEU 77 -1.786 -5.976 6.520 606 H ALA 78 H ALA 78 0.773 -3.883 10.425 607 HA ALA 78 HA ALA 78 3.186 -5.141 10.550 608 HB1 ALA 78 HB1 ALA 78 2.182 -3.963 13.101 609 HB2 ALA 78 HB2 ALA 78 2.269 -2.920 11.681 610 HB3 ALA 78 HB3 ALA 78 3.723 -3.718 12.279 611 H ALA 79 H ALA 79 0.270 -5.987 12.293 612 HA ALA 79 HA ALA 79 1.469 -7.753 14.178 613 HB1 ALA 79 HB1 ALA 79 -0.922 -6.715 14.150 614 HB2 ALA 79 HB2 ALA 79 -0.712 -8.351 14.774 615 HB3 ALA 79 HB3 ALA 79 -1.330 -8.103 13.141 616 H ILE 80 H ILE 80 0.066 -8.189 10.957 617 HA ILE 80 HA ILE 80 0.513 -11.051 10.970 618 HB ILE 80 HB ILE 80 -0.294 -9.167 8.740 619 HG12 ILE 80 HG12 ILE 80 -1.985 -11.126 10.316 620 HG13 ILE 80 HG13 ILE 80 -1.850 -9.419 10.741 621 HG21 ILE 80 HG21 ILE 80 0.465 -11.022 7.574 622 HG22 ILE 80 HG22 ILE 80 -1.190 -11.529 7.914 623 HG23 ILE 80 HG23 ILE 80 0.139 -12.125 8.910 624 HD11 ILE 80 HD11 ILE 80 -2.378 -9.310 8.035 625 HD12 ILE 80 HD12 ILE 80 -3.580 -9.109 9.309 626 HD13 ILE 80 HD13 ILE 80 -3.350 -10.687 8.555 627 H ALA 81 H ALA 81 2.141 -8.174 9.827 628 HA ALA 81 HA ALA 81 3.901 -9.259 7.959 629 HB1 ALA 81 HB1 ALA 81 3.529 -6.781 9.068 630 HB2 ALA 81 HB2 ALA 81 4.847 -7.210 7.977 631 HB3 ALA 81 HB3 ALA 81 5.100 -7.242 9.721 632 H ALA 82 H ALA 82 4.227 -9.024 11.481 633 HA ALA 82 HA ALA 82 5.475 -10.331 12.933 634 HB1 ALA 82 HB1 ALA 82 6.937 -11.930 10.996 635 HB2 ALA 82 HB2 ALA 82 5.200 -11.976 10.693 636 HB3 ALA 82 HB3 ALA 82 5.833 -12.451 12.270 637 HA PRO 83 HA PRO 83 9.481 -8.637 13.201 638 HB2 PRO 83 HB2 PRO 83 10.841 -11.273 13.020 639 HB3 PRO 83 HB3 PRO 83 10.897 -10.054 14.302 640 HG2 PRO 83 HG2 PRO 83 9.545 -12.342 14.581 641 HG3 PRO 83 HG3 PRO 83 9.007 -10.824 15.318 642 HD2 PRO 83 HD2 PRO 83 7.916 -12.249 12.934 643 HD3 PRO 83 HD3 PRO 83 7.077 -11.233 14.127 644 H ALA 84 H ALA 84 8.804 -8.136 10.783 645 HA ALA 84 HA ALA 84 11.073 -8.961 9.075 646 HB1 ALA 84 HB1 ALA 84 8.461 -9.692 8.613 647 HB2 ALA 84 HB2 ALA 84 9.718 -9.588 7.381 648 HB3 ALA 84 HB3 ALA 84 8.623 -8.231 7.639 649 H GLU 85 H GLU 85 10.044 -7.265 6.914 650 HA GLU 85 HA GLU 85 10.565 -4.600 8.092 651 HB2 GLU 85 HB2 GLU 85 11.363 -5.264 5.281 652 HB3 GLU 85 HB3 GLU 85 12.028 -4.051 6.373 653 HG2 GLU 85 HG2 GLU 85 12.526 -6.361 7.760 654 HG3 GLU 85 HG3 GLU 85 12.715 -6.903 6.093 655 H ILE 86 H ILE 86 8.914 -3.248 7.827 656 HA ILE 86 HA ILE 86 7.200 -3.570 5.438 657 HB ILE 86 HB ILE 86 6.140 -2.541 8.056 658 HG12 ILE 86 HG12 ILE 86 5.246 -5.063 8.089 659 HG13 ILE 86 HG13 ILE 86 6.778 -5.352 7.264 660 HG21 ILE 86 HG21 ILE 86 4.033 -3.496 7.054 661 HG22 ILE 86 HG22 ILE 86 4.957 -3.861 5.597 662 HG23 ILE 86 HG23 ILE 86 4.744 -2.188 6.110 663 HD11 ILE 86 HD11 ILE 86 8.011 -4.320 9.085 664 HD12 ILE 86 HD12 ILE 86 6.941 -5.548 9.761 665 HD13 ILE 86 HD13 ILE 86 6.512 -3.840 9.878 666 H PHE 87 H PHE 87 7.061 -1.814 4.209 667 HA PHE 87 HA PHE 87 7.857 0.784 5.378 668 HB2 PHE 87 HB2 PHE 87 8.066 -0.108 2.492 669 HB3 PHE 87 HB3 PHE 87 8.632 1.425 3.160 670 HD1 PHE 87 HD1 PHE 87 10.099 1.023 5.445 671 HD2 PHE 87 HD2 PHE 87 9.728 -1.701 2.145 672 HE1 PHE 87 HE1 PHE 87 12.248 -0.041 6.082 673 HE2 PHE 87 HE2 PHE 87 11.877 -2.764 2.781 674 HZ PHE 87 HZ PHE 87 13.136 -1.934 4.749 675 H LEU 88 H LEU 88 6.815 2.691 4.404 676 HA LEU 88 HA LEU 88 4.114 2.096 3.358 677 HB2 LEU 88 HB2 LEU 88 4.619 4.362 5.272 678 HB3 LEU 88 HB3 LEU 88 3.089 3.600 4.841 679 HG LEU 88 HG LEU 88 5.301 2.106 6.266 680 HD11 LEU 88 HD11 LEU 88 3.073 3.822 7.353 681 HD12 LEU 88 HD12 LEU 88 4.775 3.799 7.820 682 HD13 LEU 88 HD13 LEU 88 3.714 2.468 8.284 683 HD21 LEU 88 HD21 LEU 88 2.990 0.935 6.994 684 HD22 LEU 88 HD22 LEU 88 3.854 0.472 5.529 685 HD23 LEU 88 HD23 LEU 88 2.485 1.579 5.433 686 H LEU 89 H LEU 89 3.363 3.445 1.782 687 HA LEU 89 HA LEU 89 5.316 5.224 0.558 688 HB2 LEU 89 HB2 LEU 89 3.919 3.644 -0.794 689 HB3 LEU 89 HB3 LEU 89 2.497 4.585 -0.341 690 HG LEU 89 HG LEU 89 4.564 6.363 -1.287 691 HD11 LEU 89 HD11 LEU 89 5.335 4.331 -2.518 692 HD12 LEU 89 HD12 LEU 89 4.738 5.592 -3.598 693 HD13 LEU 89 HD13 LEU 89 3.730 4.191 -3.234 694 HD21 LEU 89 HD21 LEU 89 2.735 6.865 -2.978 695 HD22 LEU 89 HD22 LEU 89 2.235 6.979 -1.291 696 HD23 LEU 89 HD23 LEU 89 1.803 5.561 -2.245 697 H GLU 90 H GLU 90 5.489 7.186 1.456 698 HA GLU 90 HA GLU 90 3.519 8.509 2.952 699 HB2 GLU 90 HB2 GLU 90 5.949 9.049 2.997 700 HB3 GLU 90 HB3 GLU 90 5.788 9.768 1.394 701 HG2 GLU 90 HG2 GLU 90 3.719 10.846 3.039 702 HG3 GLU 90 HG3 GLU 90 5.232 10.965 3.934 703 H ASP 91 H ASP 91 2.078 10.151 2.473 704 HA ASP 91 HA ASP 91 0.632 11.423 1.217 705 HB2 ASP 91 HB2 ASP 91 2.840 12.087 0.084 706 HB3 ASP 91 HB3 ASP 91 2.394 10.939 -1.177 707 H GLY 92 H GLY 92 1.499 8.239 0.473 708 HA2 GLY 92 HA2 GLY 92 0.264 6.481 -0.367 709 HA3 GLY 92 HA3 GLY 92 -1.131 7.556 -0.387 710 H ILE 93 H ILE 93 -1.704 6.547 -2.423 711 HA ILE 93 HA ILE 93 -0.175 6.429 -4.724 712 HB ILE 93 HB ILE 93 -2.307 5.421 -4.817 713 HG12 ILE 93 HG12 ILE 93 -3.080 7.805 -6.405 714 HG13 ILE 93 HG13 ILE 93 -1.500 7.117 -6.780 715 HG21 ILE 93 HG21 ILE 93 -3.633 6.437 -3.202 716 HG22 ILE 93 HG22 ILE 93 -4.357 7.091 -4.670 717 HG23 ILE 93 HG23 ILE 93 -3.219 8.065 -3.739 718 HD11 ILE 93 HD11 ILE 93 -2.393 5.099 -7.493 719 HD12 ILE 93 HD12 ILE 93 -3.686 6.200 -7.971 720 HD13 ILE 93 HD13 ILE 93 -3.831 5.260 -6.486 721 H ASP 94 H ASP 94 -1.688 9.203 -3.215 722 HA ASP 94 HA ASP 94 -1.629 11.013 -5.356 723 HB2 ASP 94 HB2 ASP 94 -2.227 11.116 -2.619 724 HB3 ASP 94 HB3 ASP 94 -0.932 12.288 -2.851 725 H GLY 95 H GLY 95 0.901 9.848 -3.235 726 HA2 GLY 95 HA2 GLY 95 2.849 11.832 -3.928 727 HA3 GLY 95 HA3 GLY 95 3.166 10.294 -3.131 728 H TRP 96 H TRP 96 2.608 8.363 -4.760 729 HA TRP 96 HA TRP 96 4.619 8.210 -6.639 730 HB2 TRP 96 HB2 TRP 96 3.565 6.182 -6.069 731 HB3 TRP 96 HB3 TRP 96 1.959 6.808 -6.437 732 HD1 TRP 96 HD1 TRP 96 1.476 7.336 -9.099 733 HE1 TRP 96 HE1 TRP 96 2.298 6.054 -11.181 734 HE3 TRP 96 HE3 TRP 96 5.404 4.780 -7.070 735 HZ2 TRP 96 HZ2 TRP 96 4.350 4.192 -11.891 736 HZ3 TRP 96 HZ3 TRP 96 6.773 3.260 -8.470 737 HH2 TRP 96 HH2 TRP 96 6.252 2.964 -10.876 738 H LYS 97 H LYS 97 1.298 9.344 -7.058 739 HA LYS 97 HA LYS 97 1.315 9.667 -9.850 740 HB2 LYS 97 HB2 LYS 97 -0.783 9.814 -8.743 741 HB3 LYS 97 HB3 LYS 97 -0.201 11.066 -7.645 742 HG2 LYS 97 HG2 LYS 97 -0.000 12.647 -9.502 743 HG3 LYS 97 HG3 LYS 97 -0.484 11.395 -10.647 744 HD2 LYS 97 HD2 LYS 97 -2.355 11.738 -8.403 745 HD3 LYS 97 HD3 LYS 97 -2.209 13.162 -9.433 746 HE2 LYS 97 HE2 LYS 97 -2.699 10.367 -10.493 747 HE3 LYS 97 HE3 LYS 97 -3.981 11.538 -10.186 748 HZ1 LYS 97 HZ1 LYS 97 -3.215 11.543 -12.505 749 HZ2 LYS 97 HZ2 LYS 97 -1.664 12.000 -11.985 750 HZ3 LYS 97 HZ3 LYS 97 -2.985 13.042 -11.748 751 H ARG 98 H ARG 98 2.138 11.950 -7.248 752 HA ARG 98 HA ARG 98 2.976 13.979 -9.143 753 HB2 ARG 98 HB2 ARG 98 1.888 14.474 -6.915 754 HB3 ARG 98 HB3 ARG 98 3.390 13.953 -6.151 755 HG2 ARG 98 HG2 ARG 98 4.618 15.738 -7.045 756 HG3 ARG 98 HG3 ARG 98 3.449 16.019 -8.337 757 HD2 ARG 98 HD2 ARG 98 2.717 16.400 -5.435 758 HD3 ARG 98 HD3 ARG 98 3.456 17.692 -6.376 759 HE ARG 98 HE ARG 98 1.246 16.648 -7.802 760 HH11 ARG 98 HH21 ARG 98 2.053 18.471 -4.973 761 HH12 ARG 98 HH22 ARG 98 0.578 19.379 -4.970 762 HH21 ARG 98 HH11 ARG 98 -0.692 17.831 -7.802 763 HH22 ARG 98 HH12 ARG 98 -0.976 19.016 -6.572 764 H ALA 99 H ALA 99 4.378 11.306 -7.537 765 HA ALA 99 HA ALA 99 7.038 12.156 -7.220 766 HB1 ALA 99 HB1 ALA 99 6.207 9.363 -8.006 767 HB2 ALA 99 HB2 ALA 99 5.979 9.999 -6.377 768 HB3 ALA 99 HB3 ALA 99 7.603 9.851 -7.048 769 H GLY 100 H GLY 100 5.252 11.991 -10.013 770 HA2 GLY 100 HA2 GLY 100 6.004 12.572 -12.159 771 HA3 GLY 100 HA3 GLY 100 7.652 12.200 -11.659 772 H LEU 101 H LEU 101 4.899 10.057 -11.199 773 HA LEU 101 HA LEU 101 6.016 8.252 -13.254 774 HB2 LEU 101 HB2 LEU 101 4.800 7.404 -10.616 775 HB3 LEU 101 HB3 LEU 101 5.527 6.352 -11.831 776 HG LEU 101 HG LEU 101 7.069 8.600 -10.526 777 HD11 LEU 101 HD11 LEU 101 6.105 6.794 -8.921 778 HD12 LEU 101 HD12 LEU 101 7.832 7.144 -8.838 779 HD13 LEU 101 HD13 LEU 101 7.262 5.710 -9.691 780 HD21 LEU 101 HD21 LEU 101 7.679 6.226 -12.269 781 HD22 LEU 101 HD22 LEU 101 8.919 6.838 -11.174 782 HD23 LEU 101 HD23 LEU 101 8.245 7.890 -12.418 783 HA PRO 102 HA PRO 102 1.883 8.297 -14.819 784 HB2 PRO 102 HB2 PRO 102 1.962 6.061 -16.374 785 HB3 PRO 102 HB3 PRO 102 2.793 7.568 -16.805 786 HG2 PRO 102 HG2 PRO 102 3.894 5.072 -15.619 787 HG3 PRO 102 HG3 PRO 102 4.594 6.150 -16.839 788 HD2 PRO 102 HD2 PRO 102 5.327 6.180 -14.184 789 HD3 PRO 102 HD3 PRO 102 5.461 7.588 -15.262 790 H VAL 103 H VAL 103 -0.142 7.368 -14.472 791 HA VAL 103 HA VAL 103 -0.199 5.074 -12.613 792 HB VAL 103 HB VAL 103 -2.569 6.104 -12.166 793 HG11 VAL 103 HG11 VAL 103 -1.221 7.890 -10.669 794 HG12 VAL 103 HG12 VAL 103 0.128 6.871 -11.168 795 HG13 VAL 103 HG13 VAL 103 -1.232 6.167 -10.295 796 HG21 VAL 103 HG21 VAL 103 -2.825 8.397 -12.635 797 HG22 VAL 103 HG22 VAL 103 -2.102 7.764 -14.112 798 HG23 VAL 103 HG23 VAL 103 -1.102 8.619 -12.937 799 H ALA 104 H ALA 104 -2.404 3.888 -12.752 800 HA ALA 104 HA ALA 104 -3.189 3.632 -15.591 801 HB1 ALA 104 HB1 ALA 104 -1.696 1.772 -14.897 802 HB2 ALA 104 HB2 ALA 104 -3.317 1.218 -15.318 803 HB3 ALA 104 HB3 ALA 104 -2.846 1.358 -13.624 804 H VAL 105 H VAL 105 -5.290 3.885 -15.916 805 HA VAL 105 HA VAL 105 -7.107 3.809 -13.607 806 HB VAL 105 HB VAL 105 -7.666 4.766 -16.421 807 HG11 VAL 105 HG11 VAL 105 -9.250 6.146 -14.625 808 HG12 VAL 105 HG12 VAL 105 -9.196 4.529 -13.924 809 HG13 VAL 105 HG13 VAL 105 -9.770 4.754 -15.577 810 HG21 VAL 105 HG21 VAL 105 -6.547 6.171 -13.991 811 HG22 VAL 105 HG22 VAL 105 -7.415 7.056 -15.247 812 HG23 VAL 105 HG23 VAL 105 -5.931 6.188 -15.643 813 H ASN 106 H ASN 106 -8.757 2.354 -13.437 814 HA ASN 106 HA ASN 106 -8.617 -0.020 -15.024 815 HB2 ASN 106 HB2 ASN 106 -9.566 0.551 -12.531 816 HB3 ASN 106 HB3 ASN 106 -11.068 0.424 -13.447 817 HD21 ASN 106 HD21 ASN 106 -11.865 -1.673 -13.541 818 HD22 ASN 106 HD22 ASN 106 -10.918 -3.080 -13.467 819 H LYS 107 H LYS 107 -9.245 0.025 -17.090 820 HA LYS 107 HA LYS 107 -11.862 1.256 -17.716 821 HB2 LYS 107 HB2 LYS 107 -9.845 2.511 -18.616 822 HB3 LYS 107 HB3 LYS 107 -9.532 1.104 -19.633 823 HG2 LYS 107 HG2 LYS 107 -11.659 1.332 -20.739 824 HG3 LYS 107 HG3 LYS 107 -12.186 2.565 -19.591 825 HD2 LYS 107 HD2 LYS 107 -11.457 3.589 -21.717 826 HD3 LYS 107 HD3 LYS 107 -10.404 4.073 -20.387 827 HE2 LYS 107 HE2 LYS 107 -8.614 2.879 -21.185 828 HE3 LYS 107 HE3 LYS 107 -9.631 1.610 -21.867 829 HZ1 LYS 107 HZ1 LYS 107 -9.517 4.347 -22.993 830 HZ2 LYS 107 HZ2 LYS 107 -10.161 2.946 -23.709 831 HZ3 LYS 107 HZ3 LYS 107 -8.482 3.106 -23.506 Start of MODEL 8 1 H MET 1 H1 MET 1 8.401 -6.331 14.871 2 HA MET 1 HA MET 1 7.532 -4.814 13.338 3 HB2 MET 1 HB2 MET 1 6.712 -4.058 16.158 4 HB3 MET 1 HB3 MET 1 5.826 -3.580 14.709 5 HG2 MET 1 HG2 MET 1 4.794 -5.577 14.645 6 HG3 MET 1 HG3 MET 1 6.350 -6.406 14.596 7 HE1 MET 1 HE1 MET 1 3.133 -5.921 16.881 8 HE2 MET 1 HE2 MET 1 3.987 -4.409 16.590 9 HE3 MET 1 HE3 MET 1 3.933 -5.083 18.217 10 H ALA 2 H ALA 2 9.141 -3.530 12.390 11 HA ALA 2 HA ALA 2 9.523 -0.887 13.660 12 HB1 ALA 2 HB1 ALA 2 11.553 -2.527 13.404 13 HB2 ALA 2 HB2 ALA 2 11.747 -0.823 12.997 14 HB3 ALA 2 HB3 ALA 2 11.507 -2.012 11.718 15 H LEU 3 H LEU 3 7.393 -1.677 11.845 16 HA LEU 3 HA LEU 3 7.616 -1.155 9.197 17 HB2 LEU 3 HB2 LEU 3 5.402 0.116 9.427 18 HB3 LEU 3 HB3 LEU 3 5.437 -1.537 10.042 19 HG LEU 3 HG LEU 3 6.293 0.432 12.035 20 HD11 LEU 3 HD11 LEU 3 3.653 0.719 10.634 21 HD12 LEU 3 HD12 LEU 3 4.734 1.973 11.242 22 HD13 LEU 3 HD13 LEU 3 3.750 1.035 12.366 23 HD21 LEU 3 HD21 LEU 3 5.695 -1.991 12.404 24 HD22 LEU 3 HD22 LEU 3 4.021 -1.578 12.033 25 HD23 LEU 3 HD23 LEU 3 4.812 -0.873 13.443 26 H THR 4 H THR 4 9.174 0.222 8.483 27 HA THR 4 HA THR 4 9.353 2.926 9.563 28 HB THR 4 HB THR 4 10.963 1.540 7.406 29 HG1 THR 4 HG1 THR 4 12.134 2.183 9.786 30 HG21 THR 4 HG21 THR 4 12.545 3.400 7.745 31 HG22 THR 4 HG22 THR 4 11.437 4.133 8.905 32 HG23 THR 4 HG23 THR 4 10.976 4.000 7.208 33 H THR 5 H THR 5 9.284 4.803 8.200 34 HA THR 5 HA THR 5 7.179 4.627 6.198 35 HB THR 5 HB THR 5 7.720 7.209 6.158 36 HG1 THR 5 HG1 THR 5 9.014 7.857 7.679 37 HG21 THR 5 HG21 THR 5 6.430 7.268 8.484 38 HG22 THR 5 HG22 THR 5 6.290 5.536 8.179 39 HG23 THR 5 HG23 THR 5 5.639 6.692 7.017 40 H ILE 6 H ILE 6 7.400 5.351 4.034 41 HA ILE 6 HA ILE 6 10.126 5.819 3.071 42 HB ILE 6 HB ILE 6 8.812 3.306 2.820 43 HG12 ILE 6 HG12 ILE 6 11.252 4.244 1.324 44 HG13 ILE 6 HG13 ILE 6 11.274 3.949 3.059 45 HG21 ILE 6 HG21 ILE 6 8.769 2.979 0.413 46 HG22 ILE 6 HG22 ILE 6 9.267 4.648 0.146 47 HG23 ILE 6 HG23 ILE 6 7.679 4.300 0.831 48 HD11 ILE 6 HD11 ILE 6 10.810 1.647 2.796 49 HD12 ILE 6 HD12 ILE 6 11.956 1.992 1.501 50 HD13 ILE 6 HD13 ILE 6 10.234 1.867 1.143 51 H SER 7 H SER 7 10.172 6.470 0.793 52 HA SER 7 HA SER 7 7.746 8.011 0.095 53 HB2 SER 7 HB2 SER 7 10.675 8.582 -0.349 54 HB3 SER 7 HB3 SER 7 9.407 9.431 -1.228 55 HG SER 7 HG SER 7 8.740 10.356 0.603 56 HA PRO 8 HA PRO 8 6.999 5.755 -3.591 57 HB2 PRO 8 HB2 PRO 8 7.399 8.352 -5.021 58 HB3 PRO 8 HB3 PRO 8 6.064 7.190 -5.141 59 HG2 PRO 8 HG2 PRO 8 5.880 9.496 -3.757 60 HG3 PRO 8 HG3 PRO 8 4.989 8.029 -3.321 61 HD2 PRO 8 HD2 PRO 8 7.234 9.314 -1.915 62 HD3 PRO 8 HD3 PRO 8 6.080 8.100 -1.319 63 H HIS 9 H HIS 9 9.770 7.822 -3.256 64 HA HIS 9 HA HIS 9 11.172 7.064 -5.604 65 HB2 HIS 9 HB2 HIS 9 11.573 8.980 -3.771 66 HB3 HIS 9 HB3 HIS 9 12.714 7.778 -3.169 67 HD1 HIS 9 HD1 HIS 9 14.814 7.331 -4.553 68 HD2 HIS 9 HD2 HIS 9 12.142 9.900 -6.460 69 HE1 HIS 9 HE1 HIS 9 16.036 8.272 -6.562 70 H ASP 10 H ASP 10 11.086 5.732 -2.308 71 HA ASP 10 HA ASP 10 13.197 3.849 -2.813 72 HB2 ASP 10 HB2 ASP 10 12.217 4.807 -0.550 73 HB3 ASP 10 HB3 ASP 10 11.160 3.401 -0.681 74 H ALA 11 H ALA 11 9.669 3.511 -2.393 75 HA ALA 11 HA ALA 11 9.336 0.841 -2.879 76 HB1 ALA 11 HB1 ALA 11 7.515 2.795 -4.250 77 HB2 ALA 11 HB2 ALA 11 7.583 2.741 -2.488 78 HB3 ALA 11 HB3 ALA 11 7.111 1.305 -3.395 79 H GLN 12 H GLN 12 9.884 3.394 -5.262 80 HA GLN 12 HA GLN 12 9.486 1.863 -7.591 81 HB2 GLN 12 HB2 GLN 12 9.828 4.431 -7.288 82 HB3 GLN 12 HB3 GLN 12 11.542 4.046 -7.451 83 HG2 GLN 12 HG2 GLN 12 9.354 3.375 -9.438 84 HG3 GLN 12 HG3 GLN 12 10.627 4.578 -9.649 85 HE21 GLN 12 HE21 GLN 12 12.932 3.681 -9.633 86 HE22 GLN 12 HE22 GLN 12 13.180 2.118 -10.245 87 H GLU 13 H GLU 13 12.417 2.490 -5.677 88 HA GLU 13 HA GLU 13 14.220 1.094 -7.341 89 HB2 GLU 13 HB2 GLU 13 14.275 1.722 -4.386 90 HB3 GLU 13 HB3 GLU 13 15.616 0.951 -5.234 91 HG2 GLU 13 HG2 GLU 13 15.040 3.079 -6.883 92 HG3 GLU 13 HG3 GLU 13 14.734 3.756 -5.285 93 H LEU 14 H LEU 14 12.133 0.044 -4.697 94 HA LEU 14 HA LEU 14 13.214 -2.602 -4.535 95 HB2 LEU 14 HB2 LEU 14 10.467 -1.704 -3.656 96 HB3 LEU 14 HB3 LEU 14 11.411 -3.060 -3.036 97 HG LEU 14 HG LEU 14 12.168 -0.132 -2.811 98 HD11 LEU 14 HD11 LEU 14 10.423 -0.520 -1.264 99 HD12 LEU 14 HD12 LEU 14 11.893 -0.753 -0.318 100 HD13 LEU 14 HD13 LEU 14 10.990 -2.151 -0.905 101 HD21 LEU 14 HD21 LEU 14 13.553 -2.717 -2.156 102 HD22 LEU 14 HD22 LEU 14 13.831 -1.312 -1.126 103 HD23 LEU 14 HD23 LEU 14 14.223 -1.237 -2.844 104 H ILE 15 H ILE 15 10.383 -1.165 -6.135 105 HA ILE 15 HA ILE 15 9.135 -3.449 -7.076 106 HB ILE 15 HB ILE 15 9.494 -0.747 -8.381 107 HG12 ILE 15 HG12 ILE 15 6.974 -1.924 -7.220 108 HG13 ILE 15 HG13 ILE 15 8.170 -1.170 -6.164 109 HG21 ILE 15 HG21 ILE 15 9.000 -2.159 -10.210 110 HG22 ILE 15 HG22 ILE 15 7.418 -1.566 -9.703 111 HG23 ILE 15 HG23 ILE 15 7.943 -3.187 -9.243 112 HD11 ILE 15 HD11 ILE 15 7.632 0.461 -8.518 113 HD12 ILE 15 HD12 ILE 15 7.562 0.904 -6.812 114 HD13 ILE 15 HD13 ILE 15 6.166 0.155 -7.586 115 H ALA 16 H ALA 16 12.178 -2.099 -7.934 116 HA ALA 16 HA ALA 16 12.415 -3.520 -10.452 117 HB1 ALA 16 HB1 ALA 16 14.047 -2.024 -10.802 118 HB2 ALA 16 HB2 ALA 16 14.948 -2.650 -9.420 119 HB3 ALA 16 HB3 ALA 16 13.759 -1.367 -9.192 120 H ARG 17 H ARG 17 12.973 -4.132 -7.122 121 HA ARG 17 HA ARG 17 14.801 -6.359 -7.652 122 HB2 ARG 17 HB2 ARG 17 14.198 -4.654 -5.377 123 HB3 ARG 17 HB3 ARG 17 14.154 -6.362 -4.936 124 HG2 ARG 17 HG2 ARG 17 16.383 -6.647 -6.049 125 HG3 ARG 17 HG3 ARG 17 16.433 -4.902 -6.301 126 HD2 ARG 17 HD2 ARG 17 15.785 -5.146 -3.611 127 HD3 ARG 17 HD3 ARG 17 16.948 -6.443 -3.869 128 HE ARG 17 HE ARG 17 18.171 -4.357 -5.063 129 HH11 ARG 17 HH21 ARG 17 16.573 -4.729 -2.017 130 HH12 ARG 17 HH22 ARG 17 17.558 -3.563 -1.201 131 HH21 ARG 17 HH11 ARG 17 19.469 -2.826 -3.999 132 HH22 ARG 17 HH12 ARG 17 19.198 -2.485 -2.323 133 H GLY 18 H GLY 18 11.653 -5.791 -6.062 134 HA2 GLY 18 HA2 GLY 18 10.053 -7.640 -7.081 135 HA3 GLY 18 HA3 GLY 18 11.099 -8.664 -6.104 136 H ALA 19 H ALA 19 10.127 -5.390 -5.220 137 HA ALA 19 HA ALA 19 9.306 -6.144 -2.624 138 HB1 ALA 19 HB1 ALA 19 7.994 -3.727 -3.366 139 HB2 ALA 19 HB2 ALA 19 9.593 -3.721 -4.113 140 HB3 ALA 19 HB3 ALA 19 9.434 -3.923 -2.368 141 H LYS 20 H LYS 20 6.963 -5.311 -1.907 142 HA LYS 20 HA LYS 20 4.972 -6.425 -3.779 143 HB2 LYS 20 HB2 LYS 20 5.810 -7.540 -1.250 144 HB3 LYS 20 HB3 LYS 20 4.105 -7.097 -1.188 145 HG2 LYS 20 HG2 LYS 20 5.257 -8.631 -3.519 146 HG3 LYS 20 HG3 LYS 20 4.673 -9.451 -2.071 147 HD2 LYS 20 HD2 LYS 20 2.922 -7.408 -3.400 148 HD3 LYS 20 HD3 LYS 20 3.031 -9.027 -4.089 149 HE2 LYS 20 HE2 LYS 20 2.183 -8.295 -1.275 150 HE3 LYS 20 HE3 LYS 20 1.182 -9.018 -2.533 151 HZ1 LYS 20 HZ1 LYS 20 1.844 -10.772 -1.143 152 HZ2 LYS 20 HZ2 LYS 20 3.457 -10.241 -1.086 153 HZ3 LYS 20 HZ3 LYS 20 2.827 -10.903 -2.519 154 H LEU 21 H LEU 21 4.014 -4.493 -4.279 155 HA LEU 21 HA LEU 21 3.268 -2.625 -2.173 156 HB2 LEU 21 HB2 LEU 21 2.908 -2.621 -5.175 157 HB3 LEU 21 HB3 LEU 21 2.250 -1.363 -4.126 158 HG LEU 21 HG LEU 21 4.888 -1.624 -3.270 159 HD11 LEU 21 HD11 LEU 21 5.052 -2.966 -5.531 160 HD12 LEU 21 HD12 LEU 21 6.300 -1.790 -5.119 161 HD13 LEU 21 HD13 LEU 21 5.025 -1.359 -6.259 162 HD21 LEU 21 HD21 LEU 21 3.845 0.508 -3.407 163 HD22 LEU 21 HD22 LEU 21 3.475 0.304 -5.120 164 HD23 LEU 21 HD23 LEU 21 5.140 0.567 -4.602 165 H ILE 22 H ILE 22 1.279 -2.449 -1.273 166 HA ILE 22 HA ILE 22 -0.918 -4.014 -2.476 167 HB ILE 22 HB ILE 22 -0.386 -3.837 0.488 168 HG12 ILE 22 HG12 ILE 22 0.309 -6.001 -1.522 169 HG13 ILE 22 HG13 ILE 22 1.429 -5.106 -0.493 170 HG21 ILE 22 HG21 ILE 22 -2.649 -4.569 -1.033 171 HG22 ILE 22 HG22 ILE 22 -2.395 -4.839 0.691 172 HG23 ILE 22 HG23 ILE 22 -1.941 -6.084 -0.472 173 HD11 ILE 22 HD11 ILE 22 0.973 -7.339 0.449 174 HD12 ILE 22 HD12 ILE 22 -0.753 -6.975 0.484 175 HD13 ILE 22 HD13 ILE 22 0.359 -6.072 1.512 176 H ASP 23 H ASP 23 -2.932 -3.153 -2.342 177 HA ASP 23 HA ASP 23 -3.111 -0.404 -1.281 178 HB2 ASP 23 HB2 ASP 23 -3.680 -1.163 -3.776 179 HB3 ASP 23 HB3 ASP 23 -5.230 -1.562 -3.035 180 H ILE 24 H ILE 24 -4.715 0.123 0.187 181 HA ILE 24 HA ILE 24 -6.663 -1.907 0.930 182 HB ILE 24 HB ILE 24 -6.071 -2.018 3.247 183 HG12 ILE 24 HG12 ILE 24 -5.254 0.116 3.872 184 HG13 ILE 24 HG13 ILE 24 -3.831 -0.914 3.947 185 HG21 ILE 24 HG21 ILE 24 -3.958 -3.170 3.092 186 HG22 ILE 24 HG22 ILE 24 -3.521 -2.276 1.636 187 HG23 ILE 24 HG23 ILE 24 -4.840 -3.448 1.591 188 HD11 ILE 24 HD11 ILE 24 -3.324 -0.195 1.559 189 HD12 ILE 24 HD12 ILE 24 -3.148 1.054 2.788 190 HD13 ILE 24 HD13 ILE 24 -4.577 1.032 1.758 191 H ARG 25 H ARG 25 -8.174 -0.513 0.153 192 HA ARG 25 HA ARG 25 -9.191 1.421 2.012 193 HB2 ARG 25 HB2 ARG 25 -9.086 3.360 0.510 194 HB3 ARG 25 HB3 ARG 25 -7.460 2.780 0.872 195 HG2 ARG 25 HG2 ARG 25 -7.355 1.592 -1.247 196 HG3 ARG 25 HG3 ARG 25 -9.030 2.008 -1.604 197 HD2 ARG 25 HD2 ARG 25 -8.300 3.887 -2.591 198 HD3 ARG 25 HD3 ARG 25 -7.740 4.448 -1.018 199 HE ARG 25 HE ARG 25 -5.652 3.001 -1.686 200 HH11 ARG 25 HH21 ARG 25 -7.652 4.966 -3.715 201 HH12 ARG 25 HH22 ARG 25 -6.388 5.331 -4.840 202 HH21 ARG 25 HH11 ARG 25 -3.990 3.477 -3.157 203 HH22 ARG 25 HH12 ARG 25 -4.315 4.489 -4.524 204 H ASP 26 H ASP 26 -10.544 2.803 -0.317 205 HA ASP 26 HA ASP 26 -12.598 0.742 -0.739 206 HB2 ASP 26 HB2 ASP 26 -13.131 3.079 0.166 207 HB3 ASP 26 HB3 ASP 26 -12.814 3.661 -1.466 208 H ALA 27 H ALA 27 -12.193 -0.455 -2.500 209 HA ALA 27 HA ALA 27 -10.610 -0.047 -4.643 210 HB1 ALA 27 HB1 ALA 27 -13.387 -1.110 -5.107 211 HB2 ALA 27 HB2 ALA 27 -12.213 -2.014 -4.150 212 HB3 ALA 27 HB3 ALA 27 -11.867 -1.631 -5.837 213 H ASP 28 H ASP 28 -13.886 1.268 -4.267 214 HA ASP 28 HA ASP 28 -14.392 2.380 -6.704 215 HB2 ASP 28 HB2 ASP 28 -14.956 3.235 -3.910 216 HB3 ASP 28 HB3 ASP 28 -15.203 4.432 -5.181 217 H GLU 29 H GLU 29 -12.140 3.554 -4.252 218 HA GLU 29 HA GLU 29 -11.412 5.902 -5.776 219 HB2 GLU 29 HB2 GLU 29 -10.317 4.622 -3.269 220 HB3 GLU 29 HB3 GLU 29 -9.590 6.050 -4.005 221 HG2 GLU 29 HG2 GLU 29 -12.521 6.187 -3.654 222 HG3 GLU 29 HG3 GLU 29 -11.594 6.146 -2.156 223 H TYR 30 H TYR 30 -10.173 2.659 -5.225 224 HA TYR 30 HA TYR 30 -7.652 3.068 -6.513 225 HB2 TYR 30 HB2 TYR 30 -8.491 1.162 -4.880 226 HB3 TYR 30 HB3 TYR 30 -8.943 0.374 -6.390 227 HD1 TYR 30 HD1 TYR 30 -6.052 2.412 -5.116 228 HD2 TYR 30 HD2 TYR 30 -7.351 -1.074 -7.263 229 HE1 TYR 30 HE1 TYR 30 -3.689 1.761 -5.487 230 HE2 TYR 30 HE2 TYR 30 -4.987 -1.726 -7.633 231 HH TYR 30 HH TYR 30 -2.332 0.055 -6.128 232 H LEU 31 H LEU 31 -10.872 2.307 -7.594 233 HA LEU 31 HA LEU 31 -10.263 1.157 -10.098 234 HB2 LEU 31 HB2 LEU 31 -12.546 1.452 -8.791 235 HB3 LEU 31 HB3 LEU 31 -12.664 2.905 -9.783 236 HG LEU 31 HG LEU 31 -11.959 1.238 -11.722 237 HD11 LEU 31 HD11 LEU 31 -13.533 -0.638 -9.964 238 HD12 LEU 31 HD12 LEU 31 -11.770 -0.604 -9.893 239 HD13 LEU 31 HD13 LEU 31 -12.585 -1.010 -11.405 240 HD21 LEU 31 HD21 LEU 31 -14.298 1.004 -12.273 241 HD22 LEU 31 HD22 LEU 31 -14.109 2.549 -11.446 242 HD23 LEU 31 HD23 LEU 31 -14.767 1.161 -10.580 243 H ARG 32 H ARG 32 -11.005 4.538 -9.216 244 HA ARG 32 HA ARG 32 -10.745 5.658 -11.762 245 HB2 ARG 32 HB2 ARG 32 -10.795 7.715 -10.704 246 HB3 ARG 32 HB3 ARG 32 -11.478 6.688 -9.444 247 HG2 ARG 32 HG2 ARG 32 -9.021 6.386 -8.660 248 HG3 ARG 32 HG3 ARG 32 -8.692 7.811 -9.644 249 HD2 ARG 32 HD2 ARG 32 -10.502 7.576 -7.244 250 HD3 ARG 32 HD3 ARG 32 -9.152 8.680 -7.491 251 HE ARG 32 HE ARG 32 -11.106 9.165 -9.473 252 HH11 ARG 32 HH21 ARG 32 -10.576 9.432 -6.064 253 HH12 ARG 32 HH22 ARG 32 -11.610 10.808 -5.872 254 HH21 ARG 32 HH11 ARG 32 -12.460 10.971 -9.229 255 HH22 ARG 32 HH12 ARG 32 -12.676 11.681 -7.664 256 H GLU 33 H GLU 33 -8.347 4.567 -9.499 257 HA GLU 33 HA GLU 33 -6.259 4.847 -11.481 258 HB2 GLU 33 HB2 GLU 33 -6.413 7.113 -10.322 259 HB3 GLU 33 HB3 GLU 33 -5.871 6.293 -8.857 260 HG2 GLU 33 HG2 GLU 33 -3.864 5.485 -10.083 261 HG3 GLU 33 HG3 GLU 33 -4.392 6.388 -11.502 262 H HIS 34 H HIS 34 -4.912 3.152 -11.279 263 HA HIS 34 HA HIS 34 -4.424 2.003 -8.624 264 HB2 HIS 34 HB2 HIS 34 -4.911 -0.281 -9.449 265 HB3 HIS 34 HB3 HIS 34 -6.347 0.744 -9.457 266 HD1 HIS 34 HD1 HIS 34 -4.159 -1.240 -11.664 267 HD2 HIS 34 HD2 HIS 34 -7.030 1.747 -12.131 268 HE1 HIS 34 HE1 HIS 34 -4.788 -1.228 -14.118 269 H ILE 35 H ILE 35 -2.575 0.612 -8.551 270 HA ILE 35 HA ILE 35 -0.581 1.327 -10.562 271 HB ILE 35 HB ILE 35 -0.064 -0.340 -8.113 272 HG12 ILE 35 HG12 ILE 35 -1.366 1.608 -7.366 273 HG13 ILE 35 HG13 ILE 35 0.321 1.782 -6.882 274 HG21 ILE 35 HG21 ILE 35 2.141 0.298 -8.413 275 HG22 ILE 35 HG22 ILE 35 1.706 1.823 -9.185 276 HG23 ILE 35 HG23 ILE 35 1.594 0.314 -10.089 277 HD11 ILE 35 HD11 ILE 35 -1.263 3.396 -8.765 278 HD12 ILE 35 HD12 ILE 35 0.325 2.935 -9.379 279 HD13 ILE 35 HD13 ILE 35 0.190 3.823 -7.861 280 HA PRO 36 HA PRO 36 -1.269 -2.725 -12.381 281 HB2 PRO 36 HB2 PRO 36 0.489 -2.480 -14.444 282 HB3 PRO 36 HB3 PRO 36 -1.099 -1.694 -14.427 283 HG2 PRO 36 HG2 PRO 36 1.583 -0.545 -13.869 284 HG3 PRO 36 HG3 PRO 36 0.205 0.167 -14.725 285 HD2 PRO 36 HD2 PRO 36 0.858 0.755 -12.110 286 HD3 PRO 36 HD3 PRO 36 -0.779 0.915 -12.783 287 H GLU 37 H GLU 37 0.798 -2.085 -10.250 288 HA GLU 37 HA GLU 37 2.391 -4.512 -10.629 289 HB2 GLU 37 HB2 GLU 37 3.772 -1.994 -9.730 290 HB3 GLU 37 HB3 GLU 37 4.483 -3.500 -10.310 291 HG2 GLU 37 HG2 GLU 37 3.548 -3.068 -12.560 292 HG3 GLU 37 HG3 GLU 37 2.870 -1.549 -11.976 293 H ALA 38 H ALA 38 0.157 -3.696 -8.920 294 HA ALA 38 HA ALA 38 1.372 -4.396 -6.348 295 HB1 ALA 38 HB1 ALA 38 0.571 -2.579 -5.158 296 HB2 ALA 38 HB2 ALA 38 -0.689 -2.228 -6.341 297 HB3 ALA 38 HB3 ALA 38 0.988 -1.808 -6.689 298 H ASP 39 H ASP 39 -0.185 -5.208 -4.800 299 HA ASP 39 HA ASP 39 -2.342 -6.650 -6.129 300 HB2 ASP 39 HB2 ASP 39 -1.380 -6.753 -3.260 301 HB3 ASP 39 HB3 ASP 39 -2.542 -7.854 -4.000 302 H LEU 40 H LEU 40 -4.516 -6.625 -5.399 303 HA LEU 40 HA LEU 40 -5.282 -4.100 -4.061 304 HB2 LEU 40 HB2 LEU 40 -6.013 -4.261 -6.419 305 HB3 LEU 40 HB3 LEU 40 -6.875 -5.752 -6.038 306 HG LEU 40 HG LEU 40 -8.242 -4.521 -4.376 307 HD11 LEU 40 HD11 LEU 40 -8.048 -1.900 -4.794 308 HD12 LEU 40 HD12 LEU 40 -6.386 -2.325 -5.206 309 HD13 LEU 40 HD13 LEU 40 -7.024 -2.707 -3.607 310 HD21 LEU 40 HD21 LEU 40 -8.153 -3.450 -7.209 311 HD22 LEU 40 HD22 LEU 40 -9.441 -3.042 -6.076 312 HD23 LEU 40 HD23 LEU 40 -9.199 -4.718 -6.569 313 H ALA 41 H ALA 41 -5.783 -4.500 -1.998 314 HA ALA 41 HA ALA 41 -7.691 -6.658 -1.425 315 HB1 ALA 41 HB1 ALA 41 -4.920 -6.748 -0.739 316 HB2 ALA 41 HB2 ALA 41 -6.187 -7.908 -0.340 317 HB3 ALA 41 HB3 ALA 41 -5.853 -6.559 0.746 318 HA PRO 42 HA PRO 42 -9.281 -2.732 0.336 319 HB2 PRO 42 HB2 PRO 42 -11.377 -4.752 1.047 320 HB3 PRO 42 HB3 PRO 42 -11.568 -3.109 0.404 321 HG2 PRO 42 HG2 PRO 42 -11.850 -5.251 -1.153 322 HG3 PRO 42 HG3 PRO 42 -11.116 -3.753 -1.752 323 HD2 PRO 42 HD2 PRO 42 -9.820 -6.350 -1.108 324 HD3 PRO 42 HD3 PRO 42 -9.308 -5.085 -2.247 325 H LEU 43 H LEU 43 -8.477 -2.080 2.224 326 HA LEU 43 HA LEU 43 -7.363 -3.532 4.236 327 HB2 LEU 43 HB2 LEU 43 -7.139 -1.536 5.284 328 HB3 LEU 43 HB3 LEU 43 -7.861 -0.877 3.820 329 HG LEU 43 HG LEU 43 -10.136 -1.326 4.966 330 HD11 LEU 43 HD11 LEU 43 -9.248 -0.880 7.610 331 HD12 LEU 43 HD12 LEU 43 -8.279 -2.220 6.998 332 HD13 LEU 43 HD13 LEU 43 -10.040 -2.324 6.983 333 HD21 LEU 43 HD21 LEU 43 -9.847 0.816 6.348 334 HD22 LEU 43 HD22 LEU 43 -9.432 0.926 4.637 335 HD23 LEU 43 HD23 LEU 43 -8.156 0.783 5.847 336 H SER 44 H SER 44 -10.756 -3.134 3.610 337 HA SER 44 HA SER 44 -11.617 -4.001 6.227 338 HB2 SER 44 HB2 SER 44 -13.461 -4.173 3.910 339 HB3 SER 44 HB3 SER 44 -13.729 -3.511 5.520 340 HG SER 44 HG SER 44 -12.032 -2.326 3.579 341 H VAL 45 H VAL 45 -10.965 -5.512 3.129 342 HA VAL 45 HA VAL 45 -12.235 -8.006 3.866 343 HB VAL 45 HB VAL 45 -11.747 -6.902 1.472 344 HG11 VAL 45 HG11 VAL 45 -9.266 -7.157 1.807 345 HG12 VAL 45 HG12 VAL 45 -9.877 -7.977 0.371 346 HG13 VAL 45 HG13 VAL 45 -9.498 -8.905 1.821 347 HG21 VAL 45 HG21 VAL 45 -13.155 -8.707 1.348 348 HG22 VAL 45 HG22 VAL 45 -12.168 -9.683 2.436 349 HG23 VAL 45 HG23 VAL 45 -11.705 -9.507 0.744 350 H LEU 46 H LEU 46 -9.011 -6.639 3.917 351 HA LEU 46 HA LEU 46 -7.670 -9.139 4.404 352 HB2 LEU 46 HB2 LEU 46 -6.620 -7.080 3.384 353 HB3 LEU 46 HB3 LEU 46 -6.650 -6.358 4.992 354 HG LEU 46 HG LEU 46 -5.566 -9.003 5.210 355 HD11 LEU 46 HD11 LEU 46 -3.475 -8.552 3.834 356 HD12 LEU 46 HD12 LEU 46 -4.377 -7.264 3.035 357 HD13 LEU 46 HD13 LEU 46 -4.920 -8.936 2.898 358 HD21 LEU 46 HD21 LEU 46 -4.339 -6.237 5.463 359 HD22 LEU 46 HD22 LEU 46 -3.605 -7.725 6.063 360 HD23 LEU 46 HD23 LEU 46 -5.122 -7.149 6.753 361 H GLU 47 H GLU 47 -9.381 -6.860 6.318 362 HA GLU 47 HA GLU 47 -8.090 -7.573 8.814 363 HB2 GLU 47 HB2 GLU 47 -9.496 -5.377 7.967 364 HB3 GLU 47 HB3 GLU 47 -10.691 -6.218 8.955 365 HG2 GLU 47 HG2 GLU 47 -8.782 -6.452 10.692 366 HG3 GLU 47 HG3 GLU 47 -7.975 -5.192 9.761 367 H GLN 48 H GLN 48 -11.150 -8.265 7.165 368 HA GLN 48 HA GLN 48 -12.053 -9.953 9.361 369 HB2 GLN 48 HB2 GLN 48 -14.110 -10.117 8.200 370 HB3 GLN 48 HB3 GLN 48 -13.569 -8.456 7.948 371 HG2 GLN 48 HG2 GLN 48 -12.505 -9.254 5.782 372 HG3 GLN 48 HG3 GLN 48 -13.367 -10.774 6.013 373 HE21 GLN 48 HE21 GLN 48 -14.064 -7.231 5.991 374 HE22 GLN 48 HE22 GLN 48 -15.571 -7.391 5.226 375 H SER 49 H SER 49 -11.087 -10.335 5.959 376 HA SER 49 HA SER 49 -11.436 -13.148 5.871 377 HB2 SER 49 HB2 SER 49 -11.180 -11.494 3.913 378 HB3 SER 49 HB3 SER 49 -9.446 -11.637 4.193 379 HG SER 49 HG SER 49 -9.507 -13.527 3.290 380 H GLY 50 H GLY 50 -8.434 -11.238 6.028 381 HA2 GLY 50 HA2 GLY 50 -6.570 -11.654 7.409 382 HA3 GLY 50 HA3 GLY 50 -7.252 -13.226 7.818 383 H LEU 51 H LEU 51 -5.592 -11.402 5.299 384 HA LEU 51 HA LEU 51 -4.701 -13.960 4.105 385 HB2 LEU 51 HB2 LEU 51 -6.110 -12.438 2.654 386 HB3 LEU 51 HB3 LEU 51 -4.789 -11.272 2.728 387 HG LEU 51 HG LEU 51 -3.287 -13.238 1.954 388 HD11 LEU 51 HD11 LEU 51 -5.799 -14.553 2.131 389 HD12 LEU 51 HD12 LEU 51 -4.277 -15.215 1.538 390 HD13 LEU 51 HD13 LEU 51 -5.399 -14.446 0.416 391 HD21 LEU 51 HD21 LEU 51 -3.995 -12.832 -0.447 392 HD22 LEU 51 HD22 LEU 51 -3.727 -11.366 0.497 393 HD23 LEU 51 HD23 LEU 51 -5.370 -11.927 0.185 394 HA PRO 52 HA PRO 52 -0.952 -12.210 6.112 395 HB2 PRO 52 HB2 PRO 52 -0.046 -14.993 5.648 396 HB3 PRO 52 HB3 PRO 52 -0.034 -14.037 7.140 397 HG2 PRO 52 HG2 PRO 52 -1.756 -16.053 6.736 398 HG3 PRO 52 HG3 PRO 52 -2.167 -14.623 7.695 399 HD2 PRO 52 HD2 PRO 52 -3.038 -15.350 4.932 400 HD3 PRO 52 HD3 PRO 52 -3.906 -14.440 6.189 401 H ALA 53 H ALA 53 -1.155 -11.257 3.724 402 HA ALA 53 HA ALA 53 0.097 -12.360 1.523 403 HB1 ALA 53 HB1 ALA 53 0.763 -9.534 1.901 404 HB2 ALA 53 HB2 ALA 53 -0.945 -9.887 2.160 405 HB3 ALA 53 HB3 ALA 53 -0.179 -10.308 0.628 406 H LYS 54 H LYS 54 1.486 -11.363 4.500 407 HA LYS 54 HA LYS 54 4.101 -10.704 3.752 408 HB2 LYS 54 HB2 LYS 54 3.721 -10.299 5.987 409 HB3 LYS 54 HB3 LYS 54 2.815 -11.792 6.218 410 HG2 LYS 54 HG2 LYS 54 4.842 -13.109 6.167 411 HG3 LYS 54 HG3 LYS 54 5.801 -11.703 5.702 412 HD2 LYS 54 HD2 LYS 54 5.278 -10.619 7.848 413 HD3 LYS 54 HD3 LYS 54 4.285 -12.002 8.313 414 HE2 LYS 54 HE2 LYS 54 7.111 -12.512 7.476 415 HE3 LYS 54 HE3 LYS 54 6.825 -11.833 9.078 416 HZ1 LYS 54 HZ1 LYS 54 6.367 -13.882 9.742 417 HZ2 LYS 54 HZ2 LYS 54 6.413 -14.486 8.155 418 HZ3 LYS 54 HZ3 LYS 54 4.971 -13.843 8.781 419 H LEU 55 H LEU 55 2.473 -13.776 3.870 420 HA LEU 55 HA LEU 55 4.897 -15.350 3.808 421 HB2 LEU 55 HB2 LEU 55 1.972 -15.888 3.757 422 HB3 LEU 55 HB3 LEU 55 3.040 -17.117 3.078 423 HG LEU 55 HG LEU 55 4.399 -16.974 5.208 424 HD11 LEU 55 HD11 LEU 55 2.321 -16.010 6.906 425 HD12 LEU 55 HD12 LEU 55 2.585 -14.797 5.655 426 HD13 LEU 55 HD13 LEU 55 3.929 -15.327 6.667 427 HD21 LEU 55 HD21 LEU 55 1.777 -18.154 4.753 428 HD22 LEU 55 HD22 LEU 55 2.065 -17.873 6.470 429 HD23 LEU 55 HD23 LEU 55 3.194 -18.854 5.535 430 H ARG 56 H ARG 56 3.068 -13.628 1.513 431 HA ARG 56 HA ARG 56 3.851 -15.353 -0.708 432 HB2 ARG 56 HB2 ARG 56 2.360 -12.716 -0.715 433 HB3 ARG 56 HB3 ARG 56 2.579 -13.784 -2.102 434 HG2 ARG 56 HG2 ARG 56 1.382 -15.587 -0.884 435 HG3 ARG 56 HG3 ARG 56 1.119 -14.482 0.464 436 HD2 ARG 56 HD2 ARG 56 -0.790 -14.726 -1.258 437 HD3 ARG 56 HD3 ARG 56 -0.316 -13.094 -0.796 438 HE ARG 56 HE ARG 56 1.084 -14.092 -3.121 439 HH11 ARG 56 HH21 ARG 56 -1.746 -12.524 -1.891 440 HH12 ARG 56 HH22 ARG 56 -2.107 -11.707 -3.375 441 HH21 ARG 56 HH11 ARG 56 0.619 -13.020 -5.069 442 HH22 ARG 56 HH12 ARG 56 -0.767 -11.986 -5.173 443 H HIS 57 H HIS 57 5.577 -13.547 1.123 444 HA HIS 57 HA HIS 57 7.635 -13.025 -0.718 445 HB2 HIS 57 HB2 HIS 57 5.876 -11.233 -1.357 446 HB3 HIS 57 HB3 HIS 57 6.354 -10.444 0.146 447 HD1 HIS 57 HD1 HIS 57 8.326 -8.932 -0.028 448 HD2 HIS 57 HD2 HIS 57 8.307 -11.782 -3.070 449 HE1 HIS 57 HE1 HIS 57 10.295 -8.392 -1.527 450 H GLU 58 H GLU 58 8.523 -10.546 0.561 451 HA GLU 58 HA GLU 58 8.939 -11.388 3.355 452 HB2 GLU 58 HB2 GLU 58 10.873 -12.204 2.078 453 HB3 GLU 58 HB3 GLU 58 11.135 -10.585 1.430 454 HG2 GLU 58 HG2 GLU 58 11.687 -9.704 3.568 455 HG3 GLU 58 HG3 GLU 58 11.063 -11.127 4.398 456 H GLN 59 H GLN 59 9.269 -8.883 0.881 457 HA GLN 59 HA GLN 59 9.035 -6.828 2.998 458 HB2 GLN 59 HB2 GLN 59 10.620 -6.998 0.519 459 HB3 GLN 59 HB3 GLN 59 9.776 -5.465 0.740 460 HG2 GLN 59 HG2 GLN 59 10.743 -5.258 3.001 461 HG3 GLN 59 HG3 GLN 59 11.599 -6.783 2.774 462 HE21 GLN 59 HE21 GLN 59 11.147 -4.177 0.350 463 HE22 GLN 59 HE22 GLN 59 12.802 -3.848 0.173 464 H ILE 60 H ILE 60 7.262 -5.538 2.980 465 HA ILE 60 HA ILE 60 5.548 -5.591 0.577 466 HB ILE 60 HB ILE 60 4.195 -5.424 3.191 467 HG12 ILE 60 HG12 ILE 60 5.445 -8.009 2.210 468 HG13 ILE 60 HG13 ILE 60 5.941 -7.119 3.650 469 HG21 ILE 60 HG21 ILE 60 3.556 -7.387 1.028 470 HG22 ILE 60 HG22 ILE 60 3.340 -5.674 0.670 471 HG23 ILE 60 HG23 ILE 60 2.466 -6.412 2.014 472 HD11 ILE 60 HD11 ILE 60 3.376 -7.317 4.267 473 HD12 ILE 60 HD12 ILE 60 4.476 -8.658 4.589 474 HD13 ILE 60 HD13 ILE 60 3.437 -8.692 3.164 475 H ILE 61 H ILE 61 4.283 -3.754 0.225 476 HA ILE 61 HA ILE 61 4.815 -1.428 1.959 477 HB ILE 61 HB ILE 61 4.683 -1.078 -1.014 478 HG12 ILE 61 HG12 ILE 61 7.027 -2.070 0.611 479 HG13 ILE 61 HG13 ILE 61 6.419 -2.687 -0.926 480 HG21 ILE 61 HG21 ILE 61 6.461 0.405 0.888 481 HG22 ILE 61 HG22 ILE 61 4.726 0.722 0.938 482 HG23 ILE 61 HG23 ILE 61 5.628 0.990 -0.553 483 HD11 ILE 61 HD11 ILE 61 8.420 -1.424 -1.400 484 HD12 ILE 61 HD12 ILE 61 7.844 -0.058 -0.445 485 HD13 ILE 61 HD13 ILE 61 7.047 -0.470 -1.963 486 H PHE 62 H PHE 62 3.016 -0.349 2.480 487 HA PHE 62 HA PHE 62 0.559 -0.956 0.952 488 HB2 PHE 62 HB2 PHE 62 0.916 -0.171 3.851 489 HB3 PHE 62 HB3 PHE 62 -0.646 -0.345 3.049 490 HD1 PHE 62 HD2 PHE 62 -1.393 -2.557 2.211 491 HD2 PHE 62 HD1 PHE 62 2.241 -2.095 4.454 492 HE1 PHE 62 HE2 PHE 62 -1.327 -5.004 2.612 493 HE2 PHE 62 HE1 PHE 62 2.307 -4.540 4.853 494 HZ PHE 62 HZ PHE 62 0.524 -5.996 3.932 495 H HIS 63 H HIS 63 -0.826 0.693 0.369 496 HA HIS 63 HA HIS 63 -0.178 3.446 1.074 497 HB2 HIS 63 HB2 HIS 63 -0.157 4.089 -1.387 498 HB3 HIS 63 HB3 HIS 63 1.280 3.258 -0.794 499 HD1 HIS 63 HD1 HIS 63 -1.677 1.103 -1.214 500 HD2 HIS 63 HD2 HIS 63 1.571 2.276 -3.547 501 HE1 HIS 63 HE1 HIS 63 -1.587 -0.501 -3.172 502 H CYS 64 H CYS 64 -1.948 4.704 1.114 503 HA CYS 64 HA CYS 64 -4.450 3.571 0.009 504 HB2 CYS 64 HB2 CYS 64 -4.486 5.611 2.189 505 HB3 CYS 64 HB3 CYS 64 -5.608 4.287 1.868 506 HG CYS 64 HG CYS 64 -2.751 3.764 3.041 507 H GLN 65 H GLN 65 -5.971 5.045 -0.890 508 HA GLN 65 HA GLN 65 -5.281 6.765 -2.782 509 HB2 GLN 65 HB2 GLN 65 -7.611 6.393 -2.365 510 HB3 GLN 65 HB3 GLN 65 -7.512 7.174 -0.786 511 HG2 GLN 65 HG2 GLN 65 -8.492 8.633 -2.591 512 HG3 GLN 65 HG3 GLN 65 -7.078 9.323 -1.796 513 HE21 GLN 65 HE21 GLN 65 -6.573 10.613 -3.732 514 HE22 GLN 65 HE22 GLN 65 -5.918 9.877 -5.113 515 H ALA 66 H ALA 66 -5.534 7.741 0.634 516 HA ALA 66 HA ALA 66 -3.855 10.091 -0.016 517 HB1 ALA 66 HB1 ALA 66 -5.990 10.958 0.561 518 HB2 ALA 66 HB2 ALA 66 -4.999 11.145 2.007 519 HB3 ALA 66 HB3 ALA 66 -6.169 9.830 1.904 520 H GLY 67 H GLY 67 -4.121 7.204 1.716 521 HA2 GLY 67 HA2 GLY 67 -2.367 6.223 2.947 522 HA3 GLY 67 HA3 GLY 67 -1.677 7.823 3.201 523 H LYS 68 H LYS 68 -4.923 8.071 3.763 524 HA LYS 68 HA LYS 68 -4.627 8.493 6.546 525 HB2 LYS 68 HB2 LYS 68 -6.993 8.246 4.706 526 HB3 LYS 68 HB3 LYS 68 -7.218 8.388 6.450 527 HG2 LYS 68 HG2 LYS 68 -5.344 10.310 5.148 528 HG3 LYS 68 HG3 LYS 68 -7.070 10.545 4.871 529 HD2 LYS 68 HD2 LYS 68 -7.436 10.473 7.342 530 HD3 LYS 68 HD3 LYS 68 -5.689 10.372 7.564 531 HE2 LYS 68 HE2 LYS 68 -6.313 12.692 7.800 532 HE3 LYS 68 HE3 LYS 68 -5.481 12.520 6.255 533 HZ1 LYS 68 HZ1 LYS 68 -7.606 13.826 6.212 534 HZ2 LYS 68 HZ2 LYS 68 -8.428 12.370 6.516 535 HZ3 LYS 68 HZ3 LYS 68 -7.514 12.553 5.096 536 H ARG 69 H ARG 69 -5.513 5.702 4.635 537 HA ARG 69 HA ARG 69 -6.474 4.183 6.903 538 HB2 ARG 69 HB2 ARG 69 -6.037 3.628 3.990 539 HB3 ARG 69 HB3 ARG 69 -6.252 2.284 5.111 540 HG2 ARG 69 HG2 ARG 69 -8.437 2.851 4.287 541 HG3 ARG 69 HG3 ARG 69 -8.345 3.453 5.944 542 HD2 ARG 69 HD2 ARG 69 -7.792 5.697 5.109 543 HD3 ARG 69 HD3 ARG 69 -7.850 5.105 3.451 544 HE ARG 69 HE ARG 69 -10.297 4.567 4.832 545 HH11 ARG 69 HH21 ARG 69 -8.419 7.032 3.295 546 HH12 ARG 69 HH22 ARG 69 -9.791 7.989 2.843 547 HH21 ARG 69 HH11 ARG 69 -12.100 5.816 4.248 548 HH22 ARG 69 HH12 ARG 69 -11.877 7.300 3.384 549 H THR 70 H THR 70 -3.457 4.736 5.286 550 HA THR 70 HA THR 70 -2.054 2.407 5.991 551 HB THR 70 HB THR 70 -0.643 5.033 6.033 552 HG1 THR 70 HG1 THR 70 -2.060 5.414 4.403 553 HG21 THR 70 HG21 THR 70 0.073 2.797 4.221 554 HG22 THR 70 HG22 THR 70 0.187 2.459 5.948 555 HG23 THR 70 HG23 THR 70 1.106 3.791 5.247 556 H SER 71 H SER 71 -2.124 5.565 7.660 557 HA SER 71 HA SER 71 -0.630 4.766 9.902 558 HB2 SER 71 HB2 SER 71 -2.413 7.024 9.218 559 HB3 SER 71 HB3 SER 71 -2.221 6.699 10.938 560 HG SER 71 HG SER 71 -0.317 7.432 9.011 561 H ASN 72 H ASN 72 -3.983 4.299 9.080 562 HA ASN 72 HA ASN 72 -4.722 3.507 11.781 563 HB2 ASN 72 HB2 ASN 72 -6.156 3.880 9.189 564 HB3 ASN 72 HB3 ASN 72 -6.874 2.814 10.396 565 HD21 ASN 72 HD21 ASN 72 -6.937 3.864 12.718 566 HD22 ASN 72 HD22 ASN 72 -7.356 5.507 12.774 567 H ASN 73 H ASN 73 -4.070 2.002 8.653 568 HA ASN 73 HA ASN 73 -4.696 -0.655 9.651 569 HB2 ASN 73 HB2 ASN 73 -4.811 0.412 7.168 570 HB3 ASN 73 HB3 ASN 73 -3.222 -0.348 7.103 571 HD21 ASN 73 HD21 ASN 73 -3.350 -2.448 6.319 572 HD22 ASN 73 HD22 ASN 73 -4.645 -3.512 6.588 573 H ALA 74 H ALA 74 -2.001 1.442 9.553 574 HA ALA 74 HA ALA 74 0.193 -0.194 9.255 575 HB1 ALA 74 HB1 ALA 74 -0.261 2.100 11.169 576 HB2 ALA 74 HB2 ALA 74 0.528 2.151 9.593 577 HB3 ALA 74 HB3 ALA 74 1.309 1.329 10.944 578 H ASP 75 H ASP 75 -2.138 -0.123 11.825 579 HA ASP 75 HA ASP 75 -0.527 -1.656 13.678 580 HB2 ASP 75 HB2 ASP 75 -3.364 -1.733 14.231 581 HB3 ASP 75 HB3 ASP 75 -2.065 -0.990 15.165 582 H LYS 76 H LYS 76 -3.457 -2.291 11.734 583 HA LYS 76 HA LYS 76 -3.599 -5.050 12.370 584 HB2 LYS 76 HB2 LYS 76 -4.822 -3.265 10.314 585 HB3 LYS 76 HB3 LYS 76 -4.906 -5.007 10.058 586 HG2 LYS 76 HG2 LYS 76 -6.874 -4.123 11.317 587 HG3 LYS 76 HG3 LYS 76 -5.960 -5.320 12.234 588 HD2 LYS 76 HD2 LYS 76 -4.745 -3.461 13.376 589 HD3 LYS 76 HD3 LYS 76 -5.774 -2.308 12.524 590 HE2 LYS 76 HE2 LYS 76 -6.341 -3.546 14.970 591 HE3 LYS 76 HE3 LYS 76 -7.472 -2.636 13.969 592 HZ1 LYS 76 HZ1 LYS 76 -7.871 -4.740 12.729 593 HZ2 LYS 76 HZ2 LYS 76 -8.397 -4.772 14.343 594 HZ3 LYS 76 HZ3 LYS 76 -6.956 -5.556 13.901 595 H LEU 77 H LEU 77 -1.730 -3.234 10.072 596 HA LEU 77 HA LEU 77 -1.105 -5.332 8.269 597 HB2 LEU 77 HB2 LEU 77 0.275 -2.745 8.984 598 HB3 LEU 77 HB3 LEU 77 0.932 -3.858 7.784 599 HG LEU 77 HG LEU 77 -1.843 -2.637 7.704 600 HD11 LEU 77 HD11 LEU 77 -0.525 -0.859 7.044 601 HD12 LEU 77 HD12 LEU 77 -0.650 -1.704 5.502 602 HD13 LEU 77 HD13 LEU 77 0.791 -1.900 6.500 603 HD21 LEU 77 HD21 LEU 77 -0.477 -4.798 6.212 604 HD22 LEU 77 HD22 LEU 77 -1.305 -3.606 5.209 605 HD23 LEU 77 HD23 LEU 77 -2.201 -4.502 6.435 606 H ALA 78 H ALA 78 0.924 -3.890 10.831 607 HA ALA 78 HA ALA 78 3.024 -5.645 10.826 608 HB1 ALA 78 HB1 ALA 78 1.944 -3.726 12.645 609 HB2 ALA 78 HB2 ALA 78 3.592 -4.346 12.558 610 HB3 ALA 78 HB3 ALA 78 2.394 -5.164 13.561 611 H ALA 79 H ALA 79 0.044 -6.021 12.766 612 HA ALA 79 HA ALA 79 0.618 -8.479 13.929 613 HB1 ALA 79 HB1 ALA 79 -1.313 -7.383 14.717 614 HB2 ALA 79 HB2 ALA 79 -1.943 -8.785 13.853 615 HB3 ALA 79 HB3 ALA 79 -1.975 -7.194 13.093 616 H ILE 80 H ILE 80 -0.912 -7.792 10.799 617 HA ILE 80 HA ILE 80 -1.257 -10.542 10.095 618 HB ILE 80 HB ILE 80 -1.205 -8.051 8.375 619 HG12 ILE 80 HG12 ILE 80 -2.979 -8.482 10.292 620 HG13 ILE 80 HG13 ILE 80 -3.505 -7.903 8.711 621 HG21 ILE 80 HG21 ILE 80 -2.538 -9.585 6.821 622 HG22 ILE 80 HG22 ILE 80 -1.963 -10.924 7.814 623 HG23 ILE 80 HG23 ILE 80 -0.809 -9.917 6.939 624 HD11 ILE 80 HD11 ILE 80 -4.686 -9.992 9.822 625 HD12 ILE 80 HD12 ILE 80 -3.297 -10.858 9.168 626 HD13 ILE 80 HD13 ILE 80 -4.370 -9.968 8.088 627 H ALA 81 H ALA 81 1.401 -8.390 10.103 628 HA ALA 81 HA ALA 81 2.954 -10.263 8.419 629 HB1 ALA 81 HB1 ALA 81 2.500 -7.619 7.860 630 HB2 ALA 81 HB2 ALA 81 3.885 -8.543 7.282 631 HB3 ALA 81 HB3 ALA 81 4.033 -7.546 8.727 632 H ALA 82 H ALA 82 3.887 -11.525 9.972 633 HA ALA 82 HA ALA 82 4.683 -10.932 12.520 634 HB1 ALA 82 HB1 ALA 82 5.085 -13.047 10.767 635 HB2 ALA 82 HB2 ALA 82 5.609 -12.980 12.449 636 HB3 ALA 82 HB3 ALA 82 6.718 -12.513 11.159 637 HA PRO 83 HA PRO 83 8.175 -8.338 12.744 638 HB2 PRO 83 HB2 PRO 83 10.083 -10.514 13.390 639 HB3 PRO 83 HB3 PRO 83 9.632 -9.084 14.333 640 HG2 PRO 83 HG2 PRO 83 8.806 -11.541 14.994 641 HG3 PRO 83 HG3 PRO 83 7.818 -10.098 15.273 642 HD2 PRO 83 HD2 PRO 83 7.528 -12.201 13.171 643 HD3 PRO 83 HD3 PRO 83 6.274 -11.252 14.000 644 H ALA 84 H ALA 84 7.805 -8.598 10.219 645 HA ALA 84 HA ALA 84 10.291 -9.545 8.939 646 HB1 ALA 84 HB1 ALA 84 9.056 -10.096 7.125 647 HB2 ALA 84 HB2 ALA 84 8.092 -8.622 7.217 648 HB3 ALA 84 HB3 ALA 84 7.686 -10.005 8.232 649 H GLU 85 H GLU 85 9.675 -7.880 6.581 650 HA GLU 85 HA GLU 85 10.564 -5.267 7.647 651 HB2 GLU 85 HB2 GLU 85 11.163 -6.318 4.881 652 HB3 GLU 85 HB3 GLU 85 11.940 -4.984 5.735 653 HG2 GLU 85 HG2 GLU 85 12.075 -7.904 6.538 654 HG3 GLU 85 HG3 GLU 85 13.369 -6.994 5.763 655 H ILE 86 H ILE 86 8.732 -4.056 7.671 656 HA ILE 86 HA ILE 86 7.122 -4.003 5.190 657 HB ILE 86 HB ILE 86 5.666 -2.787 7.283 658 HG12 ILE 86 HG12 ILE 86 6.835 -5.464 8.105 659 HG13 ILE 86 HG13 ILE 86 7.266 -3.914 8.831 660 HG21 ILE 86 HG21 ILE 86 5.437 -5.576 6.109 661 HG22 ILE 86 HG22 ILE 86 4.789 -4.111 5.370 662 HG23 ILE 86 HG23 ILE 86 4.149 -4.677 6.912 663 HD11 ILE 86 HD11 ILE 86 4.365 -4.534 8.667 664 HD12 ILE 86 HD12 ILE 86 5.272 -3.725 9.945 665 HD13 ILE 86 HD13 ILE 86 5.306 -5.484 9.818 666 H PHE 87 H PHE 87 6.739 -2.093 4.208 667 HA PHE 87 HA PHE 87 7.943 0.317 5.430 668 HB2 PHE 87 HB2 PHE 87 7.887 -0.541 2.529 669 HB3 PHE 87 HB3 PHE 87 8.384 1.061 3.074 670 HD1 PHE 87 HD1 PHE 87 10.080 0.918 5.212 671 HD2 PHE 87 HD2 PHE 87 9.616 -2.052 2.144 672 HE1 PHE 87 HE1 PHE 87 12.349 0.049 5.709 673 HE2 PHE 87 HE2 PHE 87 11.885 -2.921 2.640 674 HZ PHE 87 HZ PHE 87 13.251 -1.871 4.424 675 H LEU 88 H LEU 88 6.999 2.371 4.510 676 HA LEU 88 HA LEU 88 4.162 2.046 3.768 677 HB2 LEU 88 HB2 LEU 88 5.114 4.024 5.844 678 HB3 LEU 88 HB3 LEU 88 3.451 3.660 5.393 679 HG LEU 88 HG LEU 88 5.319 1.552 6.489 680 HD11 LEU 88 HD11 LEU 88 3.514 2.190 8.502 681 HD12 LEU 88 HD12 LEU 88 3.996 3.765 7.873 682 HD13 LEU 88 HD13 LEU 88 5.218 2.641 8.468 683 HD21 LEU 88 HD21 LEU 88 3.549 0.313 5.774 684 HD22 LEU 88 HD22 LEU 88 2.496 1.721 5.644 685 HD23 LEU 88 HD23 LEU 88 2.737 0.941 7.207 686 H LEU 89 H LEU 89 3.358 3.584 2.399 687 HA LEU 89 HA LEU 89 5.347 5.398 1.220 688 HB2 LEU 89 HB2 LEU 89 3.983 3.767 -0.190 689 HB3 LEU 89 HB3 LEU 89 2.588 4.790 0.155 690 HG LEU 89 HG LEU 89 4.845 6.413 -0.659 691 HD11 LEU 89 HD11 LEU 89 4.740 5.584 -3.087 692 HD12 LEU 89 HD12 LEU 89 4.045 4.100 -2.434 693 HD13 LEU 89 HD13 LEU 89 5.670 4.597 -1.958 694 HD21 LEU 89 HD21 LEU 89 2.069 5.864 -1.744 695 HD22 LEU 89 HD22 LEU 89 3.148 7.084 -2.420 696 HD23 LEU 89 HD23 LEU 89 2.581 7.231 -0.756 697 H GLU 90 H GLU 90 5.394 7.342 2.147 698 HA GLU 90 HA GLU 90 3.338 8.505 3.663 699 HB2 GLU 90 HB2 GLU 90 5.801 9.126 3.656 700 HB3 GLU 90 HB3 GLU 90 5.478 10.033 2.177 701 HG2 GLU 90 HG2 GLU 90 3.553 10.582 4.326 702 HG3 GLU 90 HG3 GLU 90 5.208 11.029 4.735 703 H ASP 91 H ASP 91 1.766 10.012 3.207 704 HA ASP 91 HA ASP 91 0.274 11.250 1.967 705 HB2 ASP 91 HB2 ASP 91 2.698 11.740 0.749 706 HB3 ASP 91 HB3 ASP 91 1.707 11.148 -0.584 707 H GLY 92 H GLY 92 1.635 8.318 0.662 708 HA2 GLY 92 HA2 GLY 92 0.428 6.464 -0.113 709 HA3 GLY 92 HA3 GLY 92 -1.013 7.473 -0.219 710 H ILE 93 H ILE 93 -1.411 6.597 -2.333 711 HA ILE 93 HA ILE 93 0.303 6.568 -4.502 712 HB ILE 93 HB ILE 93 -2.027 5.667 -4.473 713 HG12 ILE 93 HG12 ILE 93 -1.706 7.616 -6.758 714 HG13 ILE 93 HG13 ILE 93 -0.627 6.231 -6.581 715 HG21 ILE 93 HG21 ILE 93 -3.087 7.650 -3.428 716 HG22 ILE 93 HG22 ILE 93 -3.875 7.217 -4.946 717 HG23 ILE 93 HG23 ILE 93 -2.760 8.582 -4.889 718 HD11 ILE 93 HD11 ILE 93 -3.651 6.043 -6.680 719 HD12 ILE 93 HD12 ILE 93 -2.515 4.694 -6.644 720 HD13 ILE 93 HD13 ILE 93 -2.588 5.748 -8.056 721 H ASP 94 H ASP 94 -1.378 9.286 -3.046 722 HA ASP 94 HA ASP 94 -1.260 11.220 -4.993 723 HB2 ASP 94 HB2 ASP 94 -1.734 11.201 -2.272 724 HB3 ASP 94 HB3 ASP 94 -0.297 12.213 -2.413 725 H GLY 95 H GLY 95 1.374 9.983 -3.001 726 HA2 GLY 95 HA2 GLY 95 3.328 11.887 -3.841 727 HA3 GLY 95 HA3 GLY 95 3.652 10.341 -3.062 728 H TRP 96 H TRP 96 2.878 8.445 -4.682 729 HA TRP 96 HA TRP 96 4.782 8.140 -6.627 730 HB2 TRP 96 HB2 TRP 96 3.555 6.217 -6.091 731 HB3 TRP 96 HB3 TRP 96 2.007 7.016 -6.349 732 HD1 TRP 96 HD1 TRP 96 1.628 7.845 -9.032 733 HE1 TRP 96 HE1 TRP 96 2.125 6.479 -11.162 734 HE3 TRP 96 HE3 TRP 96 4.912 4.419 -7.142 735 HZ2 TRP 96 HZ2 TRP 96 3.701 4.233 -11.958 736 HZ3 TRP 96 HZ3 TRP 96 5.894 2.680 -8.607 737 HH2 TRP 96 HH2 TRP 96 5.294 2.582 -11.011 738 H LYS 97 H LYS 97 1.608 9.650 -6.936 739 HA LYS 97 HA LYS 97 1.502 9.987 -9.704 740 HB2 LYS 97 HB2 LYS 97 -0.464 10.521 -8.540 741 HB3 LYS 97 HB3 LYS 97 0.385 11.568 -7.402 742 HG2 LYS 97 HG2 LYS 97 0.632 13.296 -8.980 743 HG3 LYS 97 HG3 LYS 97 0.343 12.214 -10.345 744 HD2 LYS 97 HD2 LYS 97 -1.765 12.821 -8.260 745 HD3 LYS 97 HD3 LYS 97 -1.594 13.752 -9.750 746 HE2 LYS 97 HE2 LYS 97 -1.623 11.351 -10.869 747 HE3 LYS 97 HE3 LYS 97 -2.461 10.908 -9.381 748 HZ1 LYS 97 HZ1 LYS 97 -3.725 13.161 -10.023 749 HZ2 LYS 97 HZ2 LYS 97 -4.245 11.620 -10.516 750 HZ3 LYS 97 HZ3 LYS 97 -3.338 12.592 -11.574 751 H ARG 98 H ARG 98 2.491 12.475 -7.333 752 HA ARG 98 HA ARG 98 3.622 14.165 -9.334 753 HB2 ARG 98 HB2 ARG 98 4.257 15.590 -7.551 754 HB3 ARG 98 HB3 ARG 98 2.733 14.859 -7.047 755 HG2 ARG 98 HG2 ARG 98 4.015 13.143 -5.773 756 HG3 ARG 98 HG3 ARG 98 5.510 13.969 -6.214 757 HD2 ARG 98 HD2 ARG 98 4.859 14.726 -4.011 758 HD3 ARG 98 HD3 ARG 98 4.601 16.048 -5.145 759 HE ARG 98 HE ARG 98 2.334 14.296 -4.458 760 HH11 ARG 98 HH21 ARG 98 3.952 17.358 -4.344 761 HH12 ARG 98 HH22 ARG 98 2.550 18.233 -3.829 762 HH21 ARG 98 HH11 ARG 98 0.496 15.441 -3.779 763 HH22 ARG 98 HH12 ARG 98 0.595 17.150 -3.509 764 H ALA 99 H ALA 99 4.878 11.604 -7.310 765 HA ALA 99 HA ALA 99 7.579 12.071 -7.263 766 HB1 ALA 99 HB1 ALA 99 6.693 10.104 -6.212 767 HB2 ALA 99 HB2 ALA 99 7.843 9.568 -7.436 768 HB3 ALA 99 HB3 ALA 99 6.111 9.474 -7.752 769 H GLY 100 H GLY 100 5.615 11.718 -10.020 770 HA2 GLY 100 HA2 GLY 100 6.324 12.231 -12.216 771 HA3 GLY 100 HA3 GLY 100 7.978 11.841 -11.749 772 H LEU 101 H LEU 101 5.103 9.862 -11.186 773 HA LEU 101 HA LEU 101 6.194 7.860 -13.068 774 HB2 LEU 101 HB2 LEU 101 4.770 7.245 -10.473 775 HB3 LEU 101 HB3 LEU 101 5.567 6.098 -11.552 776 HG LEU 101 HG LEU 101 7.025 8.385 -10.208 777 HD11 LEU 101 HD11 LEU 101 7.586 7.006 -8.417 778 HD12 LEU 101 HD12 LEU 101 7.258 5.527 -9.321 779 HD13 LEU 101 HD13 LEU 101 5.921 6.506 -8.716 780 HD21 LEU 101 HD21 LEU 101 8.812 6.371 -10.710 781 HD22 LEU 101 HD22 LEU 101 8.522 7.728 -11.796 782 HD23 LEU 101 HD23 LEU 101 7.703 6.190 -12.068 783 HA PRO 102 HA PRO 102 2.116 8.069 -14.808 784 HB2 PRO 102 HB2 PRO 102 2.193 5.833 -16.358 785 HB3 PRO 102 HB3 PRO 102 3.097 7.309 -16.754 786 HG2 PRO 102 HG2 PRO 102 4.054 4.780 -15.510 787 HG3 PRO 102 HG3 PRO 102 4.844 5.820 -16.708 788 HD2 PRO 102 HD2 PRO 102 5.463 5.849 -14.023 789 HD3 PRO 102 HD3 PRO 102 5.698 7.239 -15.106 790 H VAL 103 H VAL 103 0.060 7.224 -14.446 791 HA VAL 103 HA VAL 103 -0.084 4.914 -12.621 792 HB VAL 103 HB VAL 103 -2.297 5.947 -11.981 793 HG11 VAL 103 HG11 VAL 103 0.410 6.797 -11.340 794 HG12 VAL 103 HG12 VAL 103 -0.963 6.547 -10.261 795 HG13 VAL 103 HG13 VAL 103 -0.754 8.096 -11.078 796 HG21 VAL 103 HG21 VAL 103 -1.934 7.471 -14.214 797 HG22 VAL 103 HG22 VAL 103 -1.368 8.575 -12.962 798 HG23 VAL 103 HG23 VAL 103 -3.003 7.918 -12.885 799 H ALA 104 H ALA 104 -2.325 3.820 -12.751 800 HA ALA 104 HA ALA 104 -3.228 3.652 -15.558 801 HB1 ALA 104 HB1 ALA 104 -3.099 1.164 -13.906 802 HB2 ALA 104 HB2 ALA 104 -1.615 1.760 -14.651 803 HB3 ALA 104 HB3 ALA 104 -3.007 1.355 -15.656 804 H VAL 105 H VAL 105 -5.372 3.767 -15.771 805 HA VAL 105 HA VAL 105 -7.024 3.671 -13.346 806 HB VAL 105 HB VAL 105 -7.905 4.506 -16.110 807 HG11 VAL 105 HG11 VAL 105 -9.851 4.574 -14.940 808 HG12 VAL 105 HG12 VAL 105 -9.193 6.054 -14.244 809 HG13 VAL 105 HG13 VAL 105 -9.028 4.526 -13.382 810 HG21 VAL 105 HG21 VAL 105 -6.281 5.969 -14.051 811 HG22 VAL 105 HG22 VAL 105 -7.458 6.867 -15.009 812 HG23 VAL 105 HG23 VAL 105 -6.145 6.003 -15.809 813 H ASN 106 H ASN 106 -8.563 2.156 -13.005 814 HA ASN 106 HA ASN 106 -8.560 -0.175 -14.725 815 HB2 ASN 106 HB2 ASN 106 -9.193 0.401 -11.982 816 HB3 ASN 106 HB3 ASN 106 -10.563 -0.414 -12.736 817 HD21 ASN 106 HD21 ASN 106 -10.114 -2.428 -11.571 818 HD22 ASN 106 HD22 ASN 106 -8.784 -3.400 -11.984 819 H LYS 107 H LYS 107 -9.744 -0.130 -16.528 820 HA LYS 107 HA LYS 107 -12.498 0.934 -16.350 821 HB2 LYS 107 HB2 LYS 107 -10.761 2.300 -17.718 822 HB3 LYS 107 HB3 LYS 107 -10.913 1.002 -18.903 823 HG2 LYS 107 HG2 LYS 107 -13.534 1.473 -18.355 824 HG3 LYS 107 HG3 LYS 107 -12.866 3.090 -18.130 825 HD2 LYS 107 HD2 LYS 107 -11.791 2.939 -20.360 826 HD3 LYS 107 HD3 LYS 107 -12.520 1.349 -20.589 827 HE2 LYS 107 HE2 LYS 107 -14.212 3.758 -19.933 828 HE3 LYS 107 HE3 LYS 107 -13.758 3.387 -21.597 829 HZ1 LYS 107 HZ1 LYS 107 -15.932 2.424 -20.635 830 HZ2 LYS 107 HZ2 LYS 107 -14.913 1.292 -19.882 831 HZ3 LYS 107 HZ3 LYS 107 -14.935 1.426 -21.575 Start of MODEL 9 1 H MET 1 H1 MET 1 4.772 -2.512 13.931 2 HA MET 1 HA MET 1 5.138 0.328 14.555 3 HB2 MET 1 HB2 MET 1 5.107 -1.925 16.497 4 HB3 MET 1 HB3 MET 1 6.473 -0.812 16.606 5 HG2 MET 1 HG2 MET 1 3.663 0.247 16.400 6 HG3 MET 1 HG3 MET 1 4.312 -0.264 17.958 7 HE1 MET 1 HE1 MET 1 3.390 2.589 16.320 8 HE2 MET 1 HE2 MET 1 4.316 3.774 17.238 9 HE3 MET 1 HE3 MET 1 3.431 2.509 18.086 10 H ALA 2 H ALA 2 6.105 -2.848 13.609 11 HA ALA 2 HA ALA 2 8.940 -2.246 13.508 12 HB1 ALA 2 HB1 ALA 2 7.989 -4.549 13.940 13 HB2 ALA 2 HB2 ALA 2 9.201 -4.473 12.661 14 HB3 ALA 2 HB3 ALA 2 7.490 -4.580 12.248 15 H LEU 3 H LEU 3 6.520 -1.042 11.792 16 HA LEU 3 HA LEU 3 7.688 -1.409 9.130 17 HB2 LEU 3 HB2 LEU 3 5.709 -0.170 8.339 18 HB3 LEU 3 HB3 LEU 3 5.248 -1.553 9.332 19 HG LEU 3 HG LEU 3 5.573 0.510 11.177 20 HD11 LEU 3 HD11 LEU 3 4.185 2.342 10.269 21 HD12 LEU 3 HD12 LEU 3 4.127 1.521 8.709 22 HD13 LEU 3 HD13 LEU 3 5.660 2.136 9.324 23 HD21 LEU 3 HD21 LEU 3 3.175 0.293 11.459 24 HD22 LEU 3 HD22 LEU 3 3.812 -1.297 11.037 25 HD23 LEU 3 HD23 LEU 3 2.992 -0.323 9.817 26 H THR 4 H THR 4 8.566 0.243 7.920 27 HA THR 4 HA THR 4 9.123 2.752 9.387 28 HB THR 4 HB THR 4 10.872 1.269 7.412 29 HG1 THR 4 HG1 THR 4 11.572 1.973 10.024 30 HG21 THR 4 HG21 THR 4 11.365 3.868 8.891 31 HG22 THR 4 HG22 THR 4 11.014 3.734 7.168 32 HG23 THR 4 HG23 THR 4 12.503 3.051 7.820 33 H THR 5 H THR 5 9.209 4.682 8.160 34 HA THR 5 HA THR 5 7.332 4.746 5.968 35 HB THR 5 HB THR 5 8.366 7.259 6.058 36 HG1 THR 5 HG1 THR 5 8.336 6.910 8.722 37 HG21 THR 5 HG21 THR 5 6.499 7.758 7.617 38 HG22 THR 5 HG22 THR 5 6.330 6.032 7.939 39 HG23 THR 5 HG23 THR 5 6.005 6.663 6.325 40 H ILE 6 H ILE 6 7.746 5.411 3.840 41 HA ILE 6 HA ILE 6 10.571 5.531 3.026 42 HB ILE 6 HB ILE 6 8.818 3.336 2.520 43 HG12 ILE 6 HG12 ILE 6 11.466 3.863 1.178 44 HG13 ILE 6 HG13 ILE 6 11.363 3.503 2.898 45 HG21 ILE 6 HG21 ILE 6 8.899 3.217 0.073 46 HG22 ILE 6 HG22 ILE 6 9.645 4.812 0.008 47 HG23 ILE 6 HG23 ILE 6 7.990 4.637 0.585 48 HD11 ILE 6 HD11 ILE 6 11.349 1.315 2.348 49 HD12 ILE 6 HD12 ILE 6 11.172 1.692 0.636 50 HD13 ILE 6 HD13 ILE 6 9.745 1.568 1.663 51 H SER 7 H SER 7 10.862 6.401 0.861 52 HA SER 7 HA SER 7 8.877 8.504 0.330 53 HB2 SER 7 HB2 SER 7 10.642 9.620 -0.908 54 HB3 SER 7 HB3 SER 7 11.268 9.142 0.667 55 HG SER 7 HG SER 7 11.755 8.052 -1.880 56 HA PRO 8 HA PRO 8 7.077 6.373 -3.102 57 HB2 PRO 8 HB2 PRO 8 7.448 9.001 -4.482 58 HB3 PRO 8 HB3 PRO 8 6.006 7.975 -4.377 59 HG2 PRO 8 HG2 PRO 8 6.317 10.193 -2.890 60 HG3 PRO 8 HG3 PRO 8 5.410 8.778 -2.334 61 HD2 PRO 8 HD2 PRO 8 8.016 9.794 -1.397 62 HD3 PRO 8 HD3 PRO 8 6.896 8.665 -0.603 63 H HIS 9 H HIS 9 10.106 7.979 -3.138 64 HA HIS 9 HA HIS 9 10.907 7.159 -5.786 65 HB2 HIS 9 HB2 HIS 9 11.769 9.114 -4.119 66 HB3 HIS 9 HB3 HIS 9 12.985 7.874 -3.810 67 HD1 HIS 9 HD1 HIS 9 11.552 9.978 -6.599 68 HD2 HIS 9 HD2 HIS 9 14.747 7.379 -5.958 69 HE1 HIS 9 HE1 HIS 9 13.054 10.176 -8.628 70 H ASP 10 H ASP 10 11.185 5.893 -2.513 71 HA ASP 10 HA ASP 10 13.181 3.931 -3.194 72 HB2 ASP 10 HB2 ASP 10 11.680 4.756 -0.813 73 HB3 ASP 10 HB3 ASP 10 11.966 3.020 -0.904 74 H ALA 11 H ALA 11 9.691 3.798 -2.461 75 HA ALA 11 HA ALA 11 9.204 1.116 -2.829 76 HB1 ALA 11 HB1 ALA 11 7.185 2.770 -4.146 77 HB2 ALA 11 HB2 ALA 11 7.640 3.385 -2.556 78 HB3 ALA 11 HB3 ALA 11 7.039 1.736 -2.726 79 H GLN 12 H GLN 12 9.880 3.563 -5.239 80 HA GLN 12 HA GLN 12 9.074 2.055 -7.519 81 HB2 GLN 12 HB2 GLN 12 9.508 4.576 -7.378 82 HB3 GLN 12 HB3 GLN 12 11.221 4.175 -7.498 83 HG2 GLN 12 HG2 GLN 12 10.567 2.793 -9.575 84 HG3 GLN 12 HG3 GLN 12 9.038 3.669 -9.519 85 HE21 GLN 12 HE21 GLN 12 10.783 4.023 -11.731 86 HE22 GLN 12 HE22 GLN 12 11.423 5.595 -11.675 87 H GLU 13 H GLU 13 12.275 2.690 -6.074 88 HA GLU 13 HA GLU 13 13.799 1.105 -7.799 89 HB2 GLU 13 HB2 GLU 13 14.201 1.760 -4.872 90 HB3 GLU 13 HB3 GLU 13 15.415 0.972 -5.880 91 HG2 GLU 13 HG2 GLU 13 14.810 3.059 -7.476 92 HG3 GLU 13 HG3 GLU 13 14.466 3.788 -5.908 93 H LEU 14 H LEU 14 11.957 0.247 -4.910 94 HA LEU 14 HA LEU 14 12.898 -2.444 -4.749 95 HB2 LEU 14 HB2 LEU 14 10.303 -1.301 -3.696 96 HB3 LEU 14 HB3 LEU 14 11.105 -2.777 -3.158 97 HG LEU 14 HG LEU 14 12.283 0.010 -2.969 98 HD11 LEU 14 HD11 LEU 14 10.709 0.044 -1.280 99 HD12 LEU 14 HD12 LEU 14 12.028 -0.759 -0.429 100 HD13 LEU 14 HD13 LEU 14 10.707 -1.711 -1.104 101 HD21 LEU 14 HD21 LEU 14 14.154 -1.355 -3.029 102 HD22 LEU 14 HD22 LEU 14 13.281 -2.755 -2.405 103 HD23 LEU 14 HD23 LEU 14 13.770 -1.461 -1.311 104 H ILE 15 H ILE 15 10.076 -0.897 -6.240 105 HA ILE 15 HA ILE 15 8.584 -3.094 -6.988 106 HB ILE 15 HB ILE 15 9.123 -0.455 -8.319 107 HG12 ILE 15 HG12 ILE 15 6.510 -1.676 -7.409 108 HG13 ILE 15 HG13 ILE 15 7.584 -0.850 -6.281 109 HG21 ILE 15 HG21 ILE 15 8.787 -1.717 -10.261 110 HG22 ILE 15 HG22 ILE 15 7.140 -1.239 -9.847 111 HG23 ILE 15 HG23 ILE 15 7.715 -2.860 -9.451 112 HD11 ILE 15 HD11 ILE 15 7.278 0.756 -8.652 113 HD12 ILE 15 HD12 ILE 15 6.848 1.153 -6.988 114 HD13 ILE 15 HD13 ILE 15 5.686 0.326 -8.025 115 H ALA 16 H ALA 16 11.685 -2.067 -8.076 116 HA ALA 16 HA ALA 16 11.699 -3.734 -10.457 117 HB1 ALA 16 HB1 ALA 16 13.432 -2.434 -11.043 118 HB2 ALA 16 HB2 ALA 16 14.320 -2.880 -9.587 119 HB3 ALA 16 HB3 ALA 16 13.190 -1.527 -9.550 120 H ARG 17 H ARG 17 12.508 -3.977 -7.114 121 HA ARG 17 HA ARG 17 14.252 -6.269 -7.416 122 HB2 ARG 17 HB2 ARG 17 12.997 -4.974 -4.986 123 HB3 ARG 17 HB3 ARG 17 14.132 -6.323 -4.920 124 HG2 ARG 17 HG2 ARG 17 15.034 -4.065 -6.589 125 HG3 ARG 17 HG3 ARG 17 14.866 -3.680 -4.876 126 HD2 ARG 17 HD2 ARG 17 16.403 -5.348 -4.226 127 HD3 ARG 17 HD3 ARG 17 16.282 -6.185 -5.771 128 HE ARG 17 HE ARG 17 17.338 -3.495 -5.971 129 HH11 ARG 17 HH21 ARG 17 17.997 -6.850 -5.435 130 HH12 ARG 17 HH22 ARG 17 19.653 -6.747 -5.931 131 HH21 ARG 17 HH11 ARG 17 19.510 -3.352 -6.623 132 HH22 ARG 17 HH12 ARG 17 20.510 -4.766 -6.603 133 H GLY 18 H GLY 18 10.940 -5.651 -6.280 134 HA2 GLY 18 HA2 GLY 18 9.471 -7.594 -7.238 135 HA3 GLY 18 HA3 GLY 18 10.447 -8.544 -6.122 136 H ALA 19 H ALA 19 10.319 -5.714 -4.599 137 HA ALA 19 HA ALA 19 8.966 -6.255 -2.393 138 HB1 ALA 19 HB1 ALA 19 9.199 -3.766 -3.968 139 HB2 ALA 19 HB2 ALA 19 9.577 -4.073 -2.273 140 HB3 ALA 19 HB3 ALA 19 7.910 -3.782 -2.765 141 H LYS 20 H LYS 20 6.843 -6.238 -1.581 142 HA LYS 20 HA LYS 20 4.790 -6.803 -3.616 143 HB2 LYS 20 HB2 LYS 20 5.229 -7.683 -0.780 144 HB3 LYS 20 HB3 LYS 20 3.603 -7.698 -1.451 145 HG2 LYS 20 HG2 LYS 20 4.972 -8.912 -3.473 146 HG3 LYS 20 HG3 LYS 20 5.919 -9.432 -2.079 147 HD2 LYS 20 HD2 LYS 20 4.254 -11.085 -2.235 148 HD3 LYS 20 HD3 LYS 20 3.615 -9.990 -1.008 149 HE2 LYS 20 HE2 LYS 20 1.785 -10.328 -2.464 150 HE3 LYS 20 HE3 LYS 20 2.453 -8.780 -2.980 151 HZ1 LYS 20 HZ1 LYS 20 2.390 -11.313 -4.363 152 HZ2 LYS 20 HZ2 LYS 20 3.885 -10.510 -4.441 153 HZ3 LYS 20 HZ3 LYS 20 2.473 -9.738 -4.985 154 H LEU 21 H LEU 21 3.924 -4.837 -4.113 155 HA LEU 21 HA LEU 21 3.234 -2.932 -2.031 156 HB2 LEU 21 HB2 LEU 21 2.797 -2.956 -5.026 157 HB3 LEU 21 HB3 LEU 21 2.268 -1.644 -3.972 158 HG LEU 21 HG LEU 21 4.741 -1.657 -3.129 159 HD11 LEU 21 HD11 LEU 21 5.515 -3.665 -4.206 160 HD12 LEU 21 HD12 LEU 21 6.291 -2.312 -5.029 161 HD13 LEU 21 HD13 LEU 21 4.914 -3.125 -5.774 162 HD21 LEU 21 HD21 LEU 21 5.366 -0.233 -5.191 163 HD22 LEU 21 HD22 LEU 21 3.938 0.259 -4.280 164 HD23 LEU 21 HD23 LEU 21 3.756 -0.628 -5.794 165 H ILE 22 H ILE 22 1.365 -2.940 -0.948 166 HA ILE 22 HA ILE 22 -0.938 -4.352 -2.156 167 HB ILE 22 HB ILE 22 -0.362 -4.147 0.800 168 HG12 ILE 22 HG12 ILE 22 0.326 -6.332 -1.191 169 HG13 ILE 22 HG13 ILE 22 1.451 -5.423 -0.180 170 HG21 ILE 22 HG21 ILE 22 -2.001 -6.285 -0.493 171 HG22 ILE 22 HG22 ILE 22 -2.703 -4.670 -0.390 172 HG23 ILE 22 HG23 ILE 22 -2.204 -5.510 1.078 173 HD11 ILE 22 HD11 ILE 22 0.205 -6.347 1.835 174 HD12 ILE 22 HD12 ILE 22 1.124 -7.533 0.909 175 HD13 ILE 22 HD13 ILE 22 -0.626 -7.431 0.719 176 H ASP 23 H ASP 23 -2.859 -3.340 -2.169 177 HA ASP 23 HA ASP 23 -2.976 -0.629 -1.003 178 HB2 ASP 23 HB2 ASP 23 -3.317 -0.852 -3.474 179 HB3 ASP 23 HB3 ASP 23 -4.739 -1.839 -3.145 180 H ILE 24 H ILE 24 -4.520 -0.139 0.505 181 HA ILE 24 HA ILE 24 -6.601 -2.146 1.042 182 HB ILE 24 HB ILE 24 -6.198 -1.925 3.463 183 HG12 ILE 24 HG12 ILE 24 -3.488 -0.899 3.264 184 HG13 ILE 24 HG13 ILE 24 -4.646 0.289 2.670 185 HG21 ILE 24 HG21 ILE 24 -3.540 -2.781 2.857 186 HG22 ILE 24 HG22 ILE 24 -4.588 -3.286 1.533 187 HG23 ILE 24 HG23 ILE 24 -4.958 -3.777 3.186 188 HD11 ILE 24 HD11 ILE 24 -5.154 -1.170 5.253 189 HD12 ILE 24 HD12 ILE 24 -5.787 0.388 4.720 190 HD13 ILE 24 HD13 ILE 24 -4.102 0.245 5.220 191 H ARG 25 H ARG 25 -8.023 -0.728 0.051 192 HA ARG 25 HA ARG 25 -9.145 1.276 1.812 193 HB2 ARG 25 HB2 ARG 25 -9.066 3.085 0.144 194 HB3 ARG 25 HB3 ARG 25 -7.438 2.573 0.586 195 HG2 ARG 25 HG2 ARG 25 -7.317 1.159 -1.419 196 HG3 ARG 25 HG3 ARG 25 -8.957 1.629 -1.864 197 HD2 ARG 25 HD2 ARG 25 -8.027 3.336 -3.008 198 HD3 ARG 25 HD3 ARG 25 -7.665 4.057 -1.442 199 HE ARG 25 HE ARG 25 -5.539 2.476 -1.744 200 HH11 ARG 25 HH21 ARG 25 -7.192 4.518 -3.994 201 HH12 ARG 25 HH22 ARG 25 -5.777 4.866 -4.931 202 HH21 ARG 25 HH11 ARG 25 -3.676 2.930 -2.965 203 HH22 ARG 25 HH12 ARG 25 -3.786 3.967 -4.348 204 H ASP 26 H ASP 26 -10.547 2.468 -0.566 205 HA ASP 26 HA ASP 26 -12.495 0.287 -0.929 206 HB2 ASP 26 HB2 ASP 26 -12.844 3.258 -1.396 207 HB3 ASP 26 HB3 ASP 26 -14.110 2.032 -1.438 208 H ALA 27 H ALA 27 -12.310 -0.785 -2.795 209 HA ALA 27 HA ALA 27 -10.750 -0.324 -4.945 210 HB1 ALA 27 HB1 ALA 27 -12.574 -2.185 -4.467 211 HB2 ALA 27 HB2 ALA 27 -12.005 -1.869 -6.107 212 HB3 ALA 27 HB3 ALA 27 -13.540 -1.193 -5.560 213 H ASP 28 H ASP 28 -13.911 1.163 -4.366 214 HA ASP 28 HA ASP 28 -14.481 2.404 -6.720 215 HB2 ASP 28 HB2 ASP 28 -14.614 3.624 -3.953 216 HB3 ASP 28 HB3 ASP 28 -15.424 4.275 -5.377 217 H GLU 29 H GLU 29 -11.913 3.214 -4.478 218 HA GLU 29 HA GLU 29 -11.156 5.610 -5.948 219 HB2 GLU 29 HB2 GLU 29 -10.012 4.198 -3.532 220 HB3 GLU 29 HB3 GLU 29 -9.244 5.603 -4.271 221 HG2 GLU 29 HG2 GLU 29 -11.926 6.343 -4.023 222 HG3 GLU 29 HG3 GLU 29 -11.572 5.482 -2.526 223 H TYR 30 H TYR 30 -10.151 2.276 -5.559 224 HA TYR 30 HA TYR 30 -7.665 2.549 -6.957 225 HB2 TYR 30 HB2 TYR 30 -8.691 0.650 -5.329 226 HB3 TYR 30 HB3 TYR 30 -9.003 -0.091 -6.899 227 HD1 TYR 30 HD1 TYR 30 -6.243 1.964 -5.385 228 HD2 TYR 30 HD2 TYR 30 -7.336 -1.559 -7.586 229 HE1 TYR 30 HE1 TYR 30 -3.852 1.330 -5.558 230 HE2 TYR 30 HE2 TYR 30 -4.944 -2.193 -7.759 231 HH TYR 30 HH TYR 30 -2.413 -0.033 -6.982 232 H LEU 31 H LEU 31 -10.941 1.531 -7.857 233 HA LEU 31 HA LEU 31 -10.434 0.604 -10.438 234 HB2 LEU 31 HB2 LEU 31 -12.646 0.701 -9.008 235 HB3 LEU 31 HB3 LEU 31 -12.901 2.205 -9.894 236 HG LEU 31 HG LEU 31 -12.198 0.664 -11.961 237 HD11 LEU 31 HD11 LEU 31 -12.677 -1.601 -11.727 238 HD12 LEU 31 HD12 LEU 31 -13.733 -1.339 -10.340 239 HD13 LEU 31 HD13 LEU 31 -11.983 -1.245 -10.147 240 HD21 LEU 31 HD21 LEU 31 -14.321 1.912 -11.708 241 HD22 LEU 31 HD22 LEU 31 -14.943 0.632 -10.666 242 HD23 LEU 31 HD23 LEU 31 -14.605 0.300 -12.366 243 H ARG 32 H ARG 32 -11.472 3.886 -9.468 244 HA ARG 32 HA ARG 32 -11.374 5.132 -11.929 245 HB2 ARG 32 HB2 ARG 32 -10.799 7.217 -10.641 246 HB3 ARG 32 HB3 ARG 32 -12.179 6.327 -9.996 247 HG2 ARG 32 HG2 ARG 32 -10.885 5.407 -8.218 248 HG3 ARG 32 HG3 ARG 32 -9.369 5.898 -8.973 249 HD2 ARG 32 HD2 ARG 32 -9.985 7.401 -7.103 250 HD3 ARG 32 HD3 ARG 32 -9.935 8.257 -8.642 251 HE ARG 32 HE ARG 32 -12.567 7.289 -8.089 252 HH11 ARG 32 HH21 ARG 32 -10.238 9.709 -7.255 253 HH12 ARG 32 HH22 ARG 32 -11.421 10.889 -6.805 254 HH21 ARG 32 HH11 ARG 32 -14.125 8.831 -7.498 255 HH22 ARG 32 HH12 ARG 32 -13.624 10.393 -6.942 256 H GLU 33 H GLU 33 -8.776 4.057 -9.895 257 HA GLU 33 HA GLU 33 -6.848 4.276 -11.986 258 HB2 GLU 33 HB2 GLU 33 -6.575 6.551 -11.561 259 HB3 GLU 33 HB3 GLU 33 -6.892 6.369 -9.834 260 HG2 GLU 33 HG2 GLU 33 -4.520 4.969 -11.009 261 HG3 GLU 33 HG3 GLU 33 -4.416 6.705 -10.720 262 H HIS 34 H HIS 34 -5.199 2.872 -11.607 263 HA HIS 34 HA HIS 34 -4.565 2.074 -8.870 264 HB2 HIS 34 HB2 HIS 34 -4.776 -0.382 -9.606 265 HB3 HIS 34 HB3 HIS 34 -6.267 0.482 -9.229 266 HD1 HIS 34 HD1 HIS 34 -4.478 -1.220 -11.981 267 HD2 HIS 34 HD2 HIS 34 -7.744 1.343 -11.599 268 HE1 HIS 34 HE1 HIS 34 -5.720 -1.308 -14.186 269 H ILE 35 H ILE 35 -2.830 0.237 -9.010 270 HA ILE 35 HA ILE 35 -0.923 0.964 -11.152 271 HB ILE 35 HB ILE 35 0.143 -0.099 -8.611 272 HG12 ILE 35 HG12 ILE 35 -1.232 2.592 -8.828 273 HG13 ILE 35 HG13 ILE 35 -1.551 1.318 -7.651 274 HG21 ILE 35 HG21 ILE 35 0.956 2.455 -9.952 275 HG22 ILE 35 HG22 ILE 35 1.285 0.930 -10.775 276 HG23 ILE 35 HG23 ILE 35 1.961 1.232 -9.175 277 HD11 ILE 35 HD11 ILE 35 0.599 3.348 -7.695 278 HD12 ILE 35 HD12 ILE 35 1.119 1.721 -7.257 279 HD13 ILE 35 HD13 ILE 35 -0.144 2.525 -6.325 280 HA PRO 36 HA PRO 36 -1.809 -3.453 -11.935 281 HB2 PRO 36 HB2 PRO 36 0.008 -2.845 -14.205 282 HB3 PRO 36 HB3 PRO 36 -1.586 -3.616 -14.206 283 HG2 PRO 36 HG2 PRO 36 -1.226 -1.105 -15.050 284 HG3 PRO 36 HG3 PRO 36 -2.706 -1.622 -14.224 285 HD2 PRO 36 HD2 PRO 36 -0.450 0.031 -13.182 286 HD3 PRO 36 HD3 PRO 36 -2.174 0.073 -12.756 287 H GLU 37 H GLU 37 0.567 -2.152 -10.430 288 HA GLU 37 HA GLU 37 2.380 -4.467 -10.701 289 HB2 GLU 37 HB2 GLU 37 4.105 -2.653 -9.799 290 HB3 GLU 37 HB3 GLU 37 3.783 -2.844 -11.522 291 HG2 GLU 37 HG2 GLU 37 1.998 -1.009 -9.995 292 HG3 GLU 37 HG3 GLU 37 3.640 -0.458 -10.323 293 H ALA 38 H ALA 38 0.101 -3.287 -8.871 294 HA ALA 38 HA ALA 38 1.424 -4.052 -6.343 295 HB1 ALA 38 HB1 ALA 38 0.534 -2.259 -5.183 296 HB2 ALA 38 HB2 ALA 38 -0.786 -2.037 -6.332 297 HB3 ALA 38 HB3 ALA 38 0.844 -1.508 -6.749 298 H ASP 39 H ASP 39 0.121 -5.160 -4.847 299 HA ASP 39 HA ASP 39 -2.077 -6.624 -6.064 300 HB2 ASP 39 HB2 ASP 39 -1.161 -6.892 -3.208 301 HB3 ASP 39 HB3 ASP 39 -1.905 -8.108 -4.245 302 H LEU 40 H LEU 40 -4.150 -6.092 -5.872 303 HA LEU 40 HA LEU 40 -4.937 -3.913 -4.116 304 HB2 LEU 40 HB2 LEU 40 -5.878 -3.897 -6.327 305 HB3 LEU 40 HB3 LEU 40 -6.448 -5.557 -6.155 306 HG LEU 40 HG LEU 40 -7.989 -4.888 -4.384 307 HD11 LEU 40 HD11 LEU 40 -6.437 -2.348 -4.598 308 HD12 LEU 40 HD12 LEU 40 -7.092 -3.148 -3.169 309 HD13 LEU 40 HD13 LEU 40 -8.156 -2.218 -4.225 310 HD21 LEU 40 HD21 LEU 40 -8.783 -2.730 -6.121 311 HD22 LEU 40 HD22 LEU 40 -9.472 -4.349 -5.995 312 HD23 LEU 40 HD23 LEU 40 -8.128 -4.045 -7.096 313 H ALA 41 H ALA 41 -5.588 -4.224 -2.091 314 HA ALA 41 HA ALA 41 -7.267 -6.521 -1.448 315 HB1 ALA 41 HB1 ALA 41 -5.884 -7.159 0.481 316 HB2 ALA 41 HB2 ALA 41 -4.684 -5.951 0.021 317 HB3 ALA 41 HB3 ALA 41 -4.988 -7.337 -1.027 318 HA PRO 42 HA PRO 42 -8.992 -2.586 0.219 319 HB2 PRO 42 HB2 PRO 42 -10.978 -4.725 0.921 320 HB3 PRO 42 HB3 PRO 42 -11.263 -3.076 0.329 321 HG2 PRO 42 HG2 PRO 42 -11.432 -5.179 -1.296 322 HG3 PRO 42 HG3 PRO 42 -10.778 -3.629 -1.848 323 HD2 PRO 42 HD2 PRO 42 -9.359 -6.170 -1.332 324 HD3 PRO 42 HD3 PRO 42 -8.888 -4.808 -2.370 325 H LEU 43 H LEU 43 -9.098 -1.807 2.317 326 HA LEU 43 HA LEU 43 -7.665 -3.270 4.314 327 HB2 LEU 43 HB2 LEU 43 -7.348 -1.222 5.178 328 HB3 LEU 43 HB3 LEU 43 -8.253 -0.585 3.808 329 HG LEU 43 HG LEU 43 -10.368 -1.029 5.190 330 HD11 LEU 43 HD11 LEU 43 -8.377 -2.148 6.912 331 HD12 LEU 43 HD12 LEU 43 -10.119 -2.065 7.173 332 HD13 LEU 43 HD13 LEU 43 -9.081 -0.754 7.732 333 HD21 LEU 43 HD21 LEU 43 -10.189 1.085 6.311 334 HD22 LEU 43 HD22 LEU 43 -9.206 1.214 4.853 335 HD23 LEU 43 HD23 LEU 43 -8.435 0.953 6.417 336 H SER 44 H SER 44 -11.026 -2.844 3.558 337 HA SER 44 HA SER 44 -11.968 -3.642 6.172 338 HB2 SER 44 HB2 SER 44 -13.896 -2.780 5.430 339 HB3 SER 44 HB3 SER 44 -13.083 -2.390 3.917 340 HG SER 44 HG SER 44 -14.476 -4.768 4.600 341 H VAL 45 H VAL 45 -11.292 -5.212 3.105 342 HA VAL 45 HA VAL 45 -12.613 -7.670 3.934 343 HB VAL 45 HB VAL 45 -12.070 -8.528 1.793 344 HG11 VAL 45 HG11 VAL 45 -12.457 -6.265 0.356 345 HG12 VAL 45 HG12 VAL 45 -12.951 -5.698 1.951 346 HG13 VAL 45 HG13 VAL 45 -13.751 -7.090 1.224 347 HG21 VAL 45 HG21 VAL 45 -9.849 -8.170 1.326 348 HG22 VAL 45 HG22 VAL 45 -9.877 -6.526 1.960 349 HG23 VAL 45 HG23 VAL 45 -10.529 -6.863 0.359 350 H LEU 46 H LEU 46 -9.398 -6.314 3.842 351 HA LEU 46 HA LEU 46 -7.887 -8.669 4.104 352 HB2 LEU 46 HB2 LEU 46 -6.898 -6.473 3.600 353 HB3 LEU 46 HB3 LEU 46 -7.306 -5.915 5.221 354 HG LEU 46 HG LEU 46 -5.597 -8.363 4.727 355 HD11 LEU 46 HD11 LEU 46 -4.769 -5.987 3.859 356 HD12 LEU 46 HD12 LEU 46 -3.670 -7.079 4.700 357 HD13 LEU 46 HD13 LEU 46 -4.422 -5.743 5.570 358 HD21 LEU 46 HD21 LEU 46 -6.065 -8.530 6.953 359 HD22 LEU 46 HD22 LEU 46 -6.591 -6.851 7.065 360 HD23 LEU 46 HD23 LEU 46 -4.872 -7.242 7.122 361 H GLU 47 H GLU 47 -9.144 -6.467 6.615 362 HA GLU 47 HA GLU 47 -8.196 -7.828 8.854 363 HB2 GLU 47 HB2 GLU 47 -9.302 -5.570 8.837 364 HB3 GLU 47 HB3 GLU 47 -10.853 -6.397 8.677 365 HG2 GLU 47 HG2 GLU 47 -10.398 -7.639 10.768 366 HG3 GLU 47 HG3 GLU 47 -8.867 -6.781 10.937 367 H GLN 48 H GLN 48 -11.390 -8.148 7.290 368 HA GLN 48 HA GLN 48 -12.204 -10.331 8.944 369 HB2 GLN 48 HB2 GLN 48 -13.250 -9.243 6.327 370 HB3 GLN 48 HB3 GLN 48 -14.007 -10.585 7.187 371 HG2 GLN 48 HG2 GLN 48 -13.884 -8.923 9.239 372 HG3 GLN 48 HG3 GLN 48 -13.811 -7.699 7.973 373 HE21 GLN 48 HE21 GLN 48 -15.616 -10.795 7.852 374 HE22 GLN 48 HE22 GLN 48 -17.146 -10.071 7.721 375 H SER 49 H SER 49 -10.942 -10.100 5.628 376 HA SER 49 HA SER 49 -11.106 -12.838 4.997 377 HB2 SER 49 HB2 SER 49 -10.719 -11.096 3.306 378 HB3 SER 49 HB3 SER 49 -9.131 -10.774 3.999 379 HG SER 49 HG SER 49 -9.861 -12.659 2.244 380 H GLY 50 H GLY 50 -8.092 -11.069 5.630 381 HA2 GLY 50 HA2 GLY 50 -6.378 -11.639 7.145 382 HA3 GLY 50 HA3 GLY 50 -7.177 -13.181 7.433 383 H LEU 51 H LEU 51 -5.576 -11.383 4.819 384 HA LEU 51 HA LEU 51 -4.405 -13.937 3.891 385 HB2 LEU 51 HB2 LEU 51 -6.053 -12.796 2.334 386 HB3 LEU 51 HB3 LEU 51 -4.880 -11.486 2.191 387 HG LEU 51 HG LEU 51 -3.170 -13.280 1.552 388 HD11 LEU 51 HD11 LEU 51 -4.560 -15.253 0.415 389 HD12 LEU 51 HD12 LEU 51 -5.701 -14.867 1.702 390 HD13 LEU 51 HD13 LEU 51 -4.051 -15.346 2.101 391 HD21 LEU 51 HD21 LEU 51 -5.440 -13.183 -0.422 392 HD22 LEU 51 HD22 LEU 51 -3.706 -13.045 -0.717 393 HD23 LEU 51 HD23 LEU 51 -4.586 -11.701 0.010 394 HA PRO 52 HA PRO 52 -0.912 -11.360 5.411 395 HB2 PRO 52 HB2 PRO 52 0.341 -13.995 5.793 396 HB3 PRO 52 HB3 PRO 52 0.060 -12.702 6.972 397 HG2 PRO 52 HG2 PRO 52 -1.304 -15.027 6.988 398 HG3 PRO 52 HG3 PRO 52 -1.994 -13.496 7.552 399 HD2 PRO 52 HD2 PRO 52 -2.477 -14.946 4.976 400 HD3 PRO 52 HD3 PRO 52 -3.603 -13.986 5.960 401 H ALA 53 H ALA 53 -0.775 -10.806 3.058 402 HA ALA 53 HA ALA 53 0.312 -12.269 1.027 403 HB1 ALA 53 HB1 ALA 53 1.649 -9.884 0.720 404 HB2 ALA 53 HB2 ALA 53 0.294 -9.422 1.751 405 HB3 ALA 53 HB3 ALA 53 -0.005 -10.190 0.192 406 H LYS 54 H LYS 54 1.804 -11.328 3.969 407 HA LYS 54 HA LYS 54 4.526 -11.354 3.329 408 HB2 LYS 54 HB2 LYS 54 3.442 -10.754 5.554 409 HB3 LYS 54 HB3 LYS 54 3.341 -12.485 5.868 410 HG2 LYS 54 HG2 LYS 54 5.770 -12.700 5.622 411 HG3 LYS 54 HG3 LYS 54 5.898 -10.982 5.241 412 HD2 LYS 54 HD2 LYS 54 5.641 -10.346 7.417 413 HD3 LYS 54 HD3 LYS 54 4.460 -11.613 7.750 414 HE2 LYS 54 HE2 LYS 54 6.665 -11.894 8.959 415 HE3 LYS 54 HE3 LYS 54 6.192 -13.274 7.968 416 HZ1 LYS 54 HZ1 LYS 54 8.573 -12.077 7.824 417 HZ2 LYS 54 HZ2 LYS 54 7.738 -11.243 6.603 418 HZ3 LYS 54 HZ3 LYS 54 7.869 -12.935 6.542 419 H LEU 55 H LEU 55 2.219 -13.842 3.217 420 HA LEU 55 HA LEU 55 3.995 -16.060 3.695 421 HB2 LEU 55 HB2 LEU 55 1.199 -15.805 2.597 422 HB3 LEU 55 HB3 LEU 55 2.047 -17.350 2.649 423 HG LEU 55 HG LEU 55 2.016 -15.697 5.137 424 HD11 LEU 55 HD11 LEU 55 -0.318 -17.442 4.301 425 HD12 LEU 55 HD12 LEU 55 -0.338 -15.680 4.226 426 HD13 LEU 55 HD13 LEU 55 -0.175 -16.495 5.781 427 HD21 LEU 55 HD21 LEU 55 3.151 -18.008 4.676 428 HD22 LEU 55 HD22 LEU 55 1.518 -18.654 4.844 429 HD23 LEU 55 HD23 LEU 55 2.266 -17.785 6.185 430 H ARG 56 H ARG 56 3.565 -13.934 1.117 431 HA ARG 56 HA ARG 56 4.685 -15.912 -0.770 432 HB2 ARG 56 HB2 ARG 56 3.103 -13.437 -1.483 433 HB3 ARG 56 HB3 ARG 56 3.635 -14.714 -2.579 434 HG2 ARG 56 HG2 ARG 56 2.092 -16.256 -1.746 435 HG3 ARG 56 HG3 ARG 56 1.934 -15.414 -0.204 436 HD2 ARG 56 HD2 ARG 56 0.010 -15.222 -1.978 437 HD3 ARG 56 HD3 ARG 56 0.508 -13.792 -1.077 438 HE ARG 56 HE ARG 56 1.323 -12.895 -3.060 439 HH11 ARG 56 HH21 ARG 56 0.780 -16.300 -3.358 440 HH12 ARG 56 HH22 ARG 56 1.058 -16.334 -5.067 441 HH21 ARG 56 HH11 ARG 56 1.688 -12.934 -5.303 442 HH22 ARG 56 HH12 ARG 56 1.571 -14.430 -6.168 443 H HIS 57 H HIS 57 5.892 -13.863 1.191 444 HA HIS 57 HA HIS 57 8.174 -13.246 -0.344 445 HB2 HIS 57 HB2 HIS 57 6.110 -11.503 -0.928 446 HB3 HIS 57 HB3 HIS 57 7.041 -10.625 0.284 447 HD1 HIS 57 HD1 HIS 57 8.567 -13.044 -2.185 448 HD2 HIS 57 HD2 HIS 57 8.405 -8.934 -1.509 449 HE1 HIS 57 HE1 HIS 57 10.247 -11.992 -3.762 450 H GLU 58 H GLU 58 9.116 -10.987 0.876 451 HA GLU 58 HA GLU 58 9.019 -11.634 3.760 452 HB2 GLU 58 HB2 GLU 58 11.107 -12.469 2.667 453 HB3 GLU 58 HB3 GLU 58 11.479 -10.809 2.200 454 HG2 GLU 58 HG2 GLU 58 11.597 -10.112 4.503 455 HG3 GLU 58 HG3 GLU 58 10.984 -11.667 5.059 456 H GLN 59 H GLN 59 9.365 -9.242 1.230 457 HA GLN 59 HA GLN 59 9.142 -7.094 3.251 458 HB2 GLN 59 HB2 GLN 59 10.712 -7.373 0.795 459 HB3 GLN 59 HB3 GLN 59 9.789 -5.872 0.854 460 HG2 GLN 59 HG2 GLN 59 10.701 -5.471 3.157 461 HG3 GLN 59 HG3 GLN 59 11.727 -6.891 2.950 462 HE21 GLN 59 HE21 GLN 59 12.626 -6.622 0.325 463 HE22 GLN 59 HE22 GLN 59 13.506 -5.180 0.160 464 H ILE 60 H ILE 60 7.355 -5.839 3.228 465 HA ILE 60 HA ILE 60 5.575 -5.994 0.884 466 HB ILE 60 HB ILE 60 4.305 -5.858 3.553 467 HG12 ILE 60 HG12 ILE 60 5.526 -8.417 2.471 468 HG13 ILE 60 HG13 ILE 60 6.093 -7.545 3.896 469 HG21 ILE 60 HG21 ILE 60 2.532 -6.799 2.422 470 HG22 ILE 60 HG22 ILE 60 3.575 -7.808 1.418 471 HG23 ILE 60 HG23 ILE 60 3.372 -6.096 1.040 472 HD11 ILE 60 HD11 ILE 60 4.690 -9.072 4.914 473 HD12 ILE 60 HD12 ILE 60 3.603 -9.159 3.528 474 HD13 ILE 60 HD13 ILE 60 3.539 -7.770 4.614 475 H ILE 61 H ILE 61 4.584 -4.119 0.329 476 HA ILE 61 HA ILE 61 5.088 -1.765 2.051 477 HB ILE 61 HB ILE 61 4.641 -1.596 -0.919 478 HG12 ILE 61 HG12 ILE 61 7.152 -2.352 0.572 479 HG13 ILE 61 HG13 ILE 61 6.486 -3.065 -0.898 480 HG21 ILE 61 HG21 ILE 61 5.372 0.566 -0.675 481 HG22 ILE 61 HG22 ILE 61 6.501 0.150 0.614 482 HG23 ILE 61 HG23 ILE 61 4.782 0.324 0.969 483 HD11 ILE 61 HD11 ILE 61 6.846 -0.565 -1.798 484 HD12 ILE 61 HD12 ILE 61 8.130 -1.772 -1.860 485 HD13 ILE 61 HD13 ILE 61 8.102 -0.582 -0.559 486 H PHE 62 H PHE 62 3.361 -0.579 2.662 487 HA PHE 62 HA PHE 62 0.748 -1.261 1.451 488 HB2 PHE 62 HB2 PHE 62 1.440 -0.481 4.291 489 HB3 PHE 62 HB3 PHE 62 -0.210 -0.578 3.676 490 HD1 PHE 62 HD2 PHE 62 -1.127 -2.755 2.878 491 HD2 PHE 62 HD1 PHE 62 2.717 -2.461 4.771 492 HE1 PHE 62 HE2 PHE 62 -1.127 -5.206 3.259 493 HE2 PHE 62 HE1 PHE 62 2.717 -4.911 5.152 494 HZ PHE 62 HZ PHE 62 0.795 -6.285 4.397 495 H HIS 63 H HIS 63 -0.548 0.381 0.754 496 HA HIS 63 HA HIS 63 -0.094 3.118 1.562 497 HB2 HIS 63 HB2 HIS 63 0.368 3.922 -0.757 498 HB3 HIS 63 HB3 HIS 63 1.678 2.968 -0.065 499 HD1 HIS 63 HD1 HIS 63 -1.428 2.330 -2.199 500 HD2 HIS 63 HD2 HIS 63 2.476 0.935 -1.751 501 HE1 HIS 63 HE1 HIS 63 -1.079 0.585 -4.001 502 H CYS 64 H CYS 64 -1.866 4.335 1.305 503 HA CYS 64 HA CYS 64 -4.109 3.177 -0.241 504 HB2 CYS 64 HB2 CYS 64 -4.894 3.119 1.940 505 HB3 CYS 64 HB3 CYS 64 -4.012 4.573 2.408 506 HG CYS 64 HG CYS 64 -6.610 5.104 2.050 507 H GLN 65 H GLN 65 -5.511 4.661 -1.315 508 HA GLN 65 HA GLN 65 -4.598 6.436 -3.035 509 HB2 GLN 65 HB2 GLN 65 -7.025 5.931 -2.639 510 HB3 GLN 65 HB3 GLN 65 -7.008 7.132 -1.347 511 HG2 GLN 65 HG2 GLN 65 -7.629 8.527 -3.057 512 HG3 GLN 65 HG3 GLN 65 -5.886 8.597 -3.308 513 HE21 GLN 65 HE21 GLN 65 -8.859 7.786 -4.810 514 HE22 GLN 65 HE22 GLN 65 -8.217 6.997 -6.167 515 H ALA 66 H ALA 66 -5.472 7.479 0.270 516 HA ALA 66 HA ALA 66 -3.754 9.850 -0.118 517 HB1 ALA 66 HB1 ALA 66 -5.133 10.351 2.178 518 HB2 ALA 66 HB2 ALA 66 -6.300 9.370 1.290 519 HB3 ALA 66 HB3 ALA 66 -5.667 10.852 0.574 520 H GLY 67 H GLY 67 -3.693 6.832 1.235 521 HA2 GLY 67 HA2 GLY 67 -2.054 5.864 2.568 522 HA3 GLY 67 HA3 GLY 67 -1.382 7.467 2.851 523 H LYS 68 H LYS 68 -3.636 8.766 3.878 524 HA LYS 68 HA LYS 68 -3.549 8.565 6.529 525 HB2 LYS 68 HB2 LYS 68 -5.869 9.062 4.713 526 HB3 LYS 68 HB3 LYS 68 -6.175 8.902 6.443 527 HG2 LYS 68 HG2 LYS 68 -4.618 10.688 6.947 528 HG3 LYS 68 HG3 LYS 68 -4.106 10.773 5.260 529 HD2 LYS 68 HD2 LYS 68 -6.175 11.674 4.555 530 HD3 LYS 68 HD3 LYS 68 -6.992 11.179 6.038 531 HE2 LYS 68 HE2 LYS 68 -6.488 13.145 7.008 532 HE3 LYS 68 HE3 LYS 68 -4.770 12.879 6.711 533 HZ1 LYS 68 HZ1 LYS 68 -5.469 13.558 4.295 534 HZ2 LYS 68 HZ2 LYS 68 -5.118 14.736 5.469 535 HZ3 LYS 68 HZ3 LYS 68 -6.732 14.347 5.107 536 H ARG 69 H ARG 69 -5.132 6.240 4.433 537 HA ARG 69 HA ARG 69 -6.496 4.749 6.407 538 HB2 ARG 69 HB2 ARG 69 -6.448 4.668 3.719 539 HB3 ARG 69 HB3 ARG 69 -5.370 3.317 4.064 540 HG2 ARG 69 HG2 ARG 69 -7.384 2.202 4.140 541 HG3 ARG 69 HG3 ARG 69 -7.283 2.720 5.824 542 HD2 ARG 69 HD2 ARG 69 -8.418 4.916 4.644 543 HD3 ARG 69 HD3 ARG 69 -9.114 3.608 3.692 544 HE ARG 69 HE ARG 69 -9.221 3.279 6.592 545 HH11 ARG 69 HH21 ARG 69 -10.758 4.277 3.655 546 HH12 ARG 69 HH22 ARG 69 -12.364 4.158 4.294 547 HH21 ARG 69 HH11 ARG 69 -11.324 3.120 7.434 548 HH22 ARG 69 HH12 ARG 69 -12.684 3.503 6.432 549 H THR 70 H THR 70 -3.441 3.982 4.738 550 HA THR 70 HA THR 70 -2.633 1.773 6.110 551 HB THR 70 HB THR 70 -0.760 4.046 5.444 552 HG1 THR 70 HG1 THR 70 -0.690 2.921 3.388 553 HG21 THR 70 HG21 THR 70 0.459 1.723 4.741 554 HG22 THR 70 HG22 THR 70 -0.518 1.171 6.101 555 HG23 THR 70 HG23 THR 70 0.643 2.480 6.323 556 H SER 71 H SER 71 -2.033 5.141 7.113 557 HA SER 71 HA SER 71 -0.643 4.582 9.476 558 HB2 SER 71 HB2 SER 71 -0.509 6.815 9.304 559 HB3 SER 71 HB3 SER 71 -1.917 6.879 8.248 560 HG SER 71 HG SER 71 -3.076 7.442 9.901 561 H ASN 72 H ASN 72 -4.050 4.425 8.758 562 HA ASN 72 HA ASN 72 -4.813 4.294 11.563 563 HB2 ASN 72 HB2 ASN 72 -6.195 5.321 9.629 564 HB3 ASN 72 HB3 ASN 72 -6.621 3.654 9.250 565 HD21 ASN 72 HD21 ASN 72 -7.047 2.440 11.649 566 HD22 ASN 72 HD22 ASN 72 -8.226 3.255 12.558 567 H ASN 73 H ASN 73 -4.796 2.101 8.751 568 HA ASN 73 HA ASN 73 -5.470 -0.157 10.474 569 HB2 ASN 73 HB2 ASN 73 -6.188 0.381 7.942 570 HB3 ASN 73 HB3 ASN 73 -4.747 -0.585 7.629 571 HD21 ASN 73 HD21 ASN 73 -4.822 -2.850 8.139 572 HD22 ASN 73 HD22 ASN 73 -6.240 -3.620 8.663 573 H ALA 74 H ALA 74 -2.679 1.428 9.452 574 HA ALA 74 HA ALA 74 -0.827 -0.536 8.885 575 HB1 ALA 74 HB1 ALA 74 0.722 1.035 10.373 576 HB2 ALA 74 HB2 ALA 74 -0.678 2.102 10.272 577 HB3 ALA 74 HB3 ALA 74 0.125 1.559 8.799 578 H ASP 75 H ASP 75 -2.372 0.217 11.918 579 HA ASP 75 HA ASP 75 -0.604 -1.200 13.630 580 HB2 ASP 75 HB2 ASP 75 -3.523 -0.964 14.239 581 HB3 ASP 75 HB3 ASP 75 -2.136 -0.772 15.310 582 H LYS 76 H LYS 76 -3.278 -2.184 11.588 583 HA LYS 76 HA LYS 76 -3.473 -4.809 12.810 584 HB2 LYS 76 HB2 LYS 76 -4.712 -3.776 10.249 585 HB3 LYS 76 HB3 LYS 76 -5.157 -5.252 11.108 586 HG2 LYS 76 HG2 LYS 76 -5.211 -2.628 12.567 587 HG3 LYS 76 HG3 LYS 76 -6.546 -3.051 11.496 588 HD2 LYS 76 HD2 LYS 76 -6.639 -5.290 12.735 589 HD3 LYS 76 HD3 LYS 76 -5.575 -4.551 13.934 590 HE2 LYS 76 HE2 LYS 76 -7.260 -2.671 14.128 591 HE3 LYS 76 HE3 LYS 76 -8.347 -3.636 13.130 592 HZ1 LYS 76 HZ1 LYS 76 -8.979 -4.376 15.156 593 HZ2 LYS 76 HZ2 LYS 76 -7.474 -4.061 15.880 594 HZ3 LYS 76 HZ3 LYS 76 -7.684 -5.445 14.920 595 H LEU 77 H LEU 77 -1.731 -3.306 10.228 596 HA LEU 77 HA LEU 77 -1.147 -5.761 8.821 597 HB2 LEU 77 HB2 LEU 77 0.345 -3.155 8.559 598 HB3 LEU 77 HB3 LEU 77 0.139 -4.423 7.352 599 HG LEU 77 HG LEU 77 -1.985 -2.547 8.423 600 HD11 LEU 77 HD11 LEU 77 -0.970 -1.405 6.684 601 HD12 LEU 77 HD12 LEU 77 -2.155 -2.343 5.774 602 HD13 LEU 77 HD13 LEU 77 -0.480 -2.886 5.859 603 HD21 LEU 77 HD21 LEU 77 -3.482 -3.800 6.799 604 HD22 LEU 77 HD22 LEU 77 -3.022 -4.717 8.235 605 HD23 LEU 77 HD23 LEU 77 -2.220 -5.028 6.695 606 H ALA 78 H ALA 78 0.857 -3.439 10.649 607 HA ALA 78 HA ALA 78 3.264 -4.674 10.716 608 HB1 ALA 78 HB1 ALA 78 2.201 -3.752 13.351 609 HB2 ALA 78 HB2 ALA 78 2.318 -2.584 12.036 610 HB3 ALA 78 HB3 ALA 78 3.761 -3.429 12.594 611 H ALA 79 H ALA 79 0.383 -5.686 12.465 612 HA ALA 79 HA ALA 79 1.750 -7.713 13.993 613 HB1 ALA 79 HB1 ALA 79 -0.240 -7.999 15.072 614 HB2 ALA 79 HB2 ALA 79 -1.180 -7.897 13.584 615 HB3 ALA 79 HB3 ALA 79 -0.590 -6.425 14.356 616 H ILE 80 H ILE 80 0.095 -7.522 10.925 617 HA ILE 80 HA ILE 80 -0.033 -10.413 10.620 618 HB ILE 80 HB ILE 80 -0.727 -8.135 8.756 619 HG12 ILE 80 HG12 ILE 80 -2.518 -10.161 10.122 620 HG13 ILE 80 HG13 ILE 80 -2.152 -8.585 10.823 621 HG21 ILE 80 HG21 ILE 80 -0.245 -9.841 7.248 622 HG22 ILE 80 HG22 ILE 80 -1.936 -10.186 7.607 623 HG23 ILE 80 HG23 ILE 80 -0.661 -11.113 8.397 624 HD11 ILE 80 HD11 ILE 80 -3.513 -9.126 8.170 625 HD12 ILE 80 HD12 ILE 80 -2.987 -7.527 8.696 626 HD13 ILE 80 HD13 ILE 80 -4.231 -8.387 9.601 627 H ALA 81 H ALA 81 2.183 -7.881 9.976 628 HA ALA 81 HA ALA 81 3.591 -9.448 7.929 629 HB1 ALA 81 HB1 ALA 81 5.088 -7.191 8.284 630 HB2 ALA 81 HB2 ALA 81 3.474 -6.605 8.687 631 HB3 ALA 81 HB3 ALA 81 3.777 -7.345 7.115 632 H ALA 82 H ALA 82 3.458 -9.512 11.152 633 HA ALA 82 HA ALA 82 4.928 -10.001 12.871 634 HB1 ALA 82 HB1 ALA 82 5.766 -12.051 12.467 635 HB2 ALA 82 HB2 ALA 82 6.817 -11.450 11.183 636 HB3 ALA 82 HB3 ALA 82 5.141 -11.867 10.828 637 HA PRO 83 HA PRO 83 8.566 -7.597 13.183 638 HB2 PRO 83 HB2 PRO 83 10.397 -9.893 13.518 639 HB3 PRO 83 HB3 PRO 83 10.009 -8.584 14.647 640 HG2 PRO 83 HG2 PRO 83 9.139 -11.097 14.999 641 HG3 PRO 83 HG3 PRO 83 8.213 -9.680 15.519 642 HD2 PRO 83 HD2 PRO 83 7.766 -11.461 13.162 643 HD3 PRO 83 HD3 PRO 83 6.582 -10.601 14.172 644 H ALA 84 H ALA 84 7.957 -9.072 10.515 645 HA ALA 84 HA ALA 84 10.427 -9.477 9.180 646 HB1 ALA 84 HB1 ALA 84 8.036 -10.211 8.492 647 HB2 ALA 84 HB2 ALA 84 9.158 -9.717 7.224 648 HB3 ALA 84 HB3 ALA 84 7.912 -8.601 7.783 649 H GLU 85 H GLU 85 9.996 -7.911 6.825 650 HA GLU 85 HA GLU 85 10.814 -5.255 7.840 651 HB2 GLU 85 HB2 GLU 85 11.577 -6.643 5.259 652 HB3 GLU 85 HB3 GLU 85 12.107 -5.035 5.754 653 HG2 GLU 85 HG2 GLU 85 12.541 -7.349 7.611 654 HG3 GLU 85 HG3 GLU 85 13.630 -7.132 6.243 655 H ILE 86 H ILE 86 8.814 -4.253 7.843 656 HA ILE 86 HA ILE 86 7.424 -4.093 5.239 657 HB ILE 86 HB ILE 86 5.701 -3.017 7.110 658 HG12 ILE 86 HG12 ILE 86 7.021 -5.467 8.320 659 HG13 ILE 86 HG13 ILE 86 7.277 -3.820 8.898 660 HG21 ILE 86 HG21 ILE 86 4.503 -5.189 6.854 661 HG22 ILE 86 HG22 ILE 86 5.952 -5.874 6.120 662 HG23 ILE 86 HG23 ILE 86 5.093 -4.561 5.315 663 HD11 ILE 86 HD11 ILE 86 4.441 -4.498 8.594 664 HD12 ILE 86 HD12 ILE 86 5.280 -3.770 9.964 665 HD13 ILE 86 HD13 ILE 86 5.274 -5.523 9.764 666 H PHE 87 H PHE 87 6.920 -2.098 4.373 667 HA PHE 87 HA PHE 87 8.121 0.238 5.739 668 HB2 PHE 87 HB2 PHE 87 8.281 -0.697 2.914 669 HB3 PHE 87 HB3 PHE 87 8.209 1.043 3.201 670 HD1 PHE 87 HD2 PHE 87 9.881 2.087 4.818 671 HD2 PHE 87 HD1 PHE 87 10.273 -1.917 3.312 672 HE1 PHE 87 HE2 PHE 87 12.279 2.083 5.454 673 HE2 PHE 87 HE1 PHE 87 12.671 -1.922 3.949 674 HZ PHE 87 HZ PHE 87 13.673 0.079 5.020 675 H LEU 88 H LEU 88 7.198 2.347 4.829 676 HA LEU 88 HA LEU 88 4.337 2.089 4.177 677 HB2 LEU 88 HB2 LEU 88 4.249 2.399 6.530 678 HB3 LEU 88 HB3 LEU 88 5.525 3.615 6.493 679 HG LEU 88 HG LEU 88 4.071 5.163 5.290 680 HD11 LEU 88 HD11 LEU 88 2.612 4.054 3.913 681 HD12 LEU 88 HD12 LEU 88 1.537 4.216 5.302 682 HD13 LEU 88 HD13 LEU 88 2.414 2.709 5.037 683 HD21 LEU 88 HD21 LEU 88 2.560 5.670 7.071 684 HD22 LEU 88 HD22 LEU 88 3.940 4.882 7.835 685 HD23 LEU 88 HD23 LEU 88 2.452 3.978 7.555 686 H LEU 89 H LEU 89 3.754 3.406 2.575 687 HA LEU 89 HA LEU 89 5.685 5.337 1.561 688 HB2 LEU 89 HB2 LEU 89 4.383 3.726 0.096 689 HB3 LEU 89 HB3 LEU 89 2.953 4.700 0.441 690 HG LEU 89 HG LEU 89 5.261 6.320 -0.356 691 HD11 LEU 89 HD11 LEU 89 4.139 4.231 -2.242 692 HD12 LEU 89 HD12 LEU 89 5.825 4.453 -1.777 693 HD13 LEU 89 HD13 LEU 89 5.023 5.657 -2.786 694 HD21 LEU 89 HD21 LEU 89 2.464 6.005 -1.485 695 HD22 LEU 89 HD22 LEU 89 3.566 7.348 -1.792 696 HD23 LEU 89 HD23 LEU 89 2.903 7.103 -0.176 697 H GLU 90 H GLU 90 5.682 7.103 2.895 698 HA GLU 90 HA GLU 90 3.627 8.308 4.248 699 HB2 GLU 90 HB2 GLU 90 6.227 8.937 3.820 700 HB3 GLU 90 HB3 GLU 90 5.437 10.195 2.867 701 HG2 GLU 90 HG2 GLU 90 3.906 10.419 5.008 702 HG3 GLU 90 HG3 GLU 90 5.285 9.675 5.815 703 H ASP 91 H ASP 91 1.962 9.674 3.800 704 HA ASP 91 HA ASP 91 0.468 10.942 2.581 705 HB2 ASP 91 HB2 ASP 91 2.039 10.813 0.069 706 HB3 ASP 91 HB3 ASP 91 1.240 12.187 0.831 707 H GLY 92 H GLY 92 2.042 8.395 0.660 708 HA2 GLY 92 HA2 GLY 92 0.833 6.396 0.043 709 HA3 GLY 92 HA3 GLY 92 -0.641 7.360 -0.015 710 H ILE 93 H ILE 93 -1.001 6.554 -2.167 711 HA ILE 93 HA ILE 93 0.708 6.695 -4.333 712 HB ILE 93 HB ILE 93 -1.802 5.890 -4.091 713 HG12 ILE 93 HG12 ILE 93 -0.869 7.101 -6.706 714 HG13 ILE 93 HG13 ILE 93 -0.170 5.625 -6.038 715 HG21 ILE 93 HG21 ILE 93 -2.301 8.402 -5.647 716 HG22 ILE 93 HG22 ILE 93 -2.361 8.477 -3.886 717 HG23 ILE 93 HG23 ILE 93 -3.442 7.391 -4.761 718 HD11 ILE 93 HD11 ILE 93 -2.857 6.078 -7.228 719 HD12 ILE 93 HD12 ILE 93 -2.786 4.997 -5.837 720 HD13 ILE 93 HD13 ILE 93 -1.832 4.644 -7.277 721 H ASP 94 H ASP 94 -0.704 9.271 -2.548 722 HA ASP 94 HA ASP 94 -0.824 11.320 -4.445 723 HB2 ASP 94 HB2 ASP 94 -0.325 11.275 -1.481 724 HB3 ASP 94 HB3 ASP 94 -0.254 12.792 -2.380 725 H GLY 95 H GLY 95 1.906 9.950 -2.709 726 HA2 GLY 95 HA2 GLY 95 3.761 11.980 -3.646 727 HA3 GLY 95 HA3 GLY 95 4.161 10.548 -2.701 728 H TRP 96 H TRP 96 2.871 8.657 -4.413 729 HA TRP 96 HA TRP 96 4.962 8.142 -6.272 730 HB2 TRP 96 HB2 TRP 96 3.046 6.619 -5.094 731 HB3 TRP 96 HB3 TRP 96 2.352 6.820 -6.703 732 HD1 TRP 96 HD1 TRP 96 5.811 5.930 -5.196 733 HE1 TRP 96 HE1 TRP 96 6.883 4.117 -6.684 734 HE3 TRP 96 HE3 TRP 96 2.212 5.501 -8.793 735 HZ2 TRP 96 HZ2 TRP 96 6.290 2.677 -9.084 736 HZ3 TRP 96 HZ3 TRP 96 2.490 3.904 -10.666 737 HH2 TRP 96 HH2 TRP 96 4.523 2.492 -10.817 738 H LYS 97 H LYS 97 1.869 9.745 -6.477 739 HA LYS 97 HA LYS 97 1.828 9.782 -9.374 740 HB2 LYS 97 HB2 LYS 97 -0.137 9.967 -7.532 741 HB3 LYS 97 HB3 LYS 97 0.142 11.681 -7.846 742 HG2 LYS 97 HG2 LYS 97 0.099 10.945 -10.366 743 HG3 LYS 97 HG3 LYS 97 -0.761 9.535 -9.746 744 HD2 LYS 97 HD2 LYS 97 -1.591 12.348 -9.020 745 HD3 LYS 97 HD3 LYS 97 -2.196 11.546 -10.470 746 HE2 LYS 97 HE2 LYS 97 -3.795 11.135 -8.718 747 HE3 LYS 97 HE3 LYS 97 -2.924 9.626 -8.989 748 HZ1 LYS 97 HZ1 LYS 97 -2.347 9.654 -6.866 749 HZ2 LYS 97 HZ2 LYS 97 -3.102 11.158 -6.633 750 HZ3 LYS 97 HZ3 LYS 97 -1.477 11.087 -7.121 751 H ARG 98 H ARG 98 2.494 12.074 -6.749 752 HA ARG 98 HA ARG 98 3.081 14.251 -8.545 753 HB2 ARG 98 HB2 ARG 98 2.270 14.872 -6.397 754 HB3 ARG 98 HB3 ARG 98 3.443 13.841 -5.575 755 HG2 ARG 98 HG2 ARG 98 5.241 15.276 -6.074 756 HG3 ARG 98 HG3 ARG 98 4.356 16.080 -7.370 757 HD2 ARG 98 HD2 ARG 98 4.622 17.066 -4.821 758 HD3 ARG 98 HD3 ARG 98 3.349 17.526 -5.946 759 HE ARG 98 HE ARG 98 2.434 15.241 -4.673 760 HH11 ARG 98 HH21 ARG 98 3.508 18.413 -3.800 761 HH12 ARG 98 HH22 ARG 98 2.492 18.521 -2.400 762 HH21 ARG 98 HH11 ARG 98 1.098 15.377 -2.840 763 HH22 ARG 98 HH12 ARG 98 1.127 16.805 -1.859 764 H ALA 99 H ALA 99 4.833 11.628 -7.114 765 HA ALA 99 HA ALA 99 7.446 12.568 -7.086 766 HB1 ALA 99 HB1 ALA 99 7.900 10.057 -7.842 767 HB2 ALA 99 HB2 ALA 99 6.185 9.893 -7.466 768 HB3 ALA 99 HB3 ALA 99 7.312 10.440 -6.224 769 H GLY 100 H GLY 100 5.549 11.284 -9.786 770 HA2 GLY 100 HA2 GLY 100 6.092 12.574 -11.925 771 HA3 GLY 100 HA3 GLY 100 7.738 12.021 -11.630 772 H LEU 101 H LEU 101 4.925 10.055 -10.917 773 HA LEU 101 HA LEU 101 5.658 8.279 -13.162 774 HB2 LEU 101 HB2 LEU 101 4.384 7.385 -10.575 775 HB3 LEU 101 HB3 LEU 101 5.154 6.389 -11.811 776 HG LEU 101 HG LEU 101 6.655 8.514 -10.267 777 HD11 LEU 101 HD11 LEU 101 6.348 5.556 -9.672 778 HD12 LEU 101 HD12 LEU 101 5.836 6.895 -8.644 779 HD13 LEU 101 HD13 LEU 101 7.553 6.602 -8.921 780 HD21 LEU 101 HD21 LEU 101 7.241 6.692 -12.451 781 HD22 LEU 101 HD22 LEU 101 8.305 6.383 -11.080 782 HD23 LEU 101 HD23 LEU 101 8.233 7.994 -11.794 783 HA PRO 102 HA PRO 102 1.477 8.929 -14.462 784 HB2 PRO 102 HB2 PRO 102 1.223 6.848 -16.200 785 HB3 PRO 102 HB3 PRO 102 2.193 8.291 -16.555 786 HG2 PRO 102 HG2 PRO 102 3.069 5.594 -15.658 787 HG3 PRO 102 HG3 PRO 102 3.820 6.699 -16.823 788 HD2 PRO 102 HD2 PRO 102 4.689 6.409 -14.224 789 HD3 PRO 102 HD3 PRO 102 4.930 7.882 -15.189 790 H VAL 103 H VAL 103 -0.641 7.721 -14.641 791 HA VAL 103 HA VAL 103 -0.817 5.661 -12.528 792 HB VAL 103 HB VAL 103 -3.319 6.600 -12.620 793 HG11 VAL 103 HG11 VAL 103 -2.497 8.295 -10.833 794 HG12 VAL 103 HG12 VAL 103 -0.893 7.637 -11.161 795 HG13 VAL 103 HG13 VAL 103 -2.172 6.583 -10.557 796 HG21 VAL 103 HG21 VAL 103 -2.801 8.207 -14.428 797 HG22 VAL 103 HG22 VAL 103 -1.569 8.950 -13.409 798 HG23 VAL 103 HG23 VAL 103 -3.269 9.045 -12.949 799 H ALA 104 H ALA 104 -2.758 4.213 -12.782 800 HA ALA 104 HA ALA 104 -3.235 3.617 -15.640 801 HB1 ALA 104 HB1 ALA 104 -1.939 2.007 -13.754 802 HB2 ALA 104 HB2 ALA 104 -2.547 1.504 -15.332 803 HB3 ALA 104 HB3 ALA 104 -3.559 1.324 -13.897 804 H VAL 105 H VAL 105 -5.289 3.965 -16.159 805 HA VAL 105 HA VAL 105 -7.345 3.860 -14.067 806 HB VAL 105 HB VAL 105 -7.638 4.779 -16.928 807 HG11 VAL 105 HG11 VAL 105 -9.348 4.679 -14.511 808 HG12 VAL 105 HG12 VAL 105 -9.804 4.680 -16.214 809 HG13 VAL 105 HG13 VAL 105 -9.397 6.196 -15.410 810 HG21 VAL 105 HG21 VAL 105 -6.784 6.260 -14.429 811 HG22 VAL 105 HG22 VAL 105 -7.458 7.089 -15.833 812 HG23 VAL 105 HG23 VAL 105 -5.950 6.187 -15.981 813 H ASN 106 H ASN 106 -8.933 2.370 -14.013 814 HA ASN 106 HA ASN 106 -8.658 0.012 -15.628 815 HB2 ASN 106 HB2 ASN 106 -9.458 0.164 -13.186 816 HB3 ASN 106 HB3 ASN 106 -11.011 0.656 -13.858 817 HD21 ASN 106 HD21 ASN 106 -10.190 -1.190 -16.294 818 HD22 ASN 106 HD22 ASN 106 -10.646 -2.731 -15.746 819 H LYS 107 H LYS 107 -9.262 0.070 -17.707 820 HA LYS 107 HA LYS 107 -11.307 1.814 -18.703 821 HB2 LYS 107 HB2 LYS 107 -9.216 0.740 -19.905 822 HB3 LYS 107 HB3 LYS 107 -10.355 -0.561 -20.251 823 HG2 LYS 107 HG2 LYS 107 -11.881 0.977 -21.335 824 HG3 LYS 107 HG3 LYS 107 -10.898 2.359 -20.848 825 HD2 LYS 107 HD2 LYS 107 -10.420 1.815 -23.180 826 HD3 LYS 107 HD3 LYS 107 -9.006 1.443 -22.192 827 HE2 LYS 107 HE2 LYS 107 -9.336 -0.862 -22.346 828 HE3 LYS 107 HE3 LYS 107 -11.057 -0.693 -22.694 829 HZ1 LYS 107 HZ1 LYS 107 -8.982 0.283 -24.561 830 HZ2 LYS 107 HZ2 LYS 107 -10.623 -0.025 -24.875 831 HZ3 LYS 107 HZ3 LYS 107 -9.547 -1.314 -24.613 Start of MODEL 10 1 H MET 1 H1 MET 1 5.781 -4.252 14.045 2 HA MET 1 HA MET 1 7.045 -3.201 16.510 3 HB2 MET 1 HB2 MET 1 6.195 -5.770 15.714 4 HB3 MET 1 HB3 MET 1 7.949 -5.767 15.526 5 HG2 MET 1 HG2 MET 1 7.321 -6.453 17.807 6 HG3 MET 1 HG3 MET 1 8.194 -4.920 17.834 7 HE1 MET 1 HE1 MET 1 7.571 -4.083 19.957 8 HE2 MET 1 HE2 MET 1 6.166 -3.032 20.124 9 HE3 MET 1 HE3 MET 1 7.310 -2.762 18.812 10 H ALA 2 H ALA 2 7.151 -2.745 13.320 11 HA ALA 2 HA ALA 2 9.732 -1.716 13.202 12 HB1 ALA 2 HB1 ALA 2 9.533 -4.618 12.514 13 HB2 ALA 2 HB2 ALA 2 10.846 -3.737 13.293 14 HB3 ALA 2 HB3 ALA 2 10.602 -3.596 11.552 15 H LEU 3 H LEU 3 8.290 -0.206 12.163 16 HA LEU 3 HA LEU 3 7.885 -0.850 9.308 17 HB2 LEU 3 HB2 LEU 3 5.855 0.711 9.485 18 HB3 LEU 3 HB3 LEU 3 5.686 -0.906 10.171 19 HG LEU 3 HG LEU 3 6.792 1.073 12.047 20 HD11 LEU 3 HD11 LEU 3 4.352 1.923 12.427 21 HD12 LEU 3 HD12 LEU 3 4.106 1.456 10.744 22 HD13 LEU 3 HD13 LEU 3 5.320 2.667 11.156 23 HD21 LEU 3 HD21 LEU 3 5.828 -1.376 12.329 24 HD22 LEU 3 HD22 LEU 3 4.285 -0.529 12.431 25 HD23 LEU 3 HD23 LEU 3 5.566 -0.169 13.588 26 H THR 4 H THR 4 8.884 0.530 8.001 27 HA THR 4 HA THR 4 9.652 3.176 9.076 28 HB THR 4 HB THR 4 11.006 1.662 6.837 29 HG1 THR 4 HG1 THR 4 11.079 0.648 8.965 30 HG21 THR 4 HG21 THR 4 11.224 4.198 7.048 31 HG22 THR 4 HG22 THR 4 12.736 3.289 7.067 32 HG23 THR 4 HG23 THR 4 12.056 3.901 8.576 33 H THR 5 H THR 5 9.135 4.985 7.927 34 HA THR 5 HA THR 5 7.143 4.721 5.860 35 HB THR 5 HB THR 5 7.440 7.298 5.835 36 HG1 THR 5 HG1 THR 5 8.389 7.965 7.872 37 HG21 THR 5 HG21 THR 5 6.486 5.676 8.197 38 HG22 THR 5 HG22 THR 5 5.524 6.362 6.889 39 HG23 THR 5 HG23 THR 5 6.248 7.421 8.098 40 H ILE 6 H ILE 6 7.327 5.284 3.693 41 HA ILE 6 HA ILE 6 10.056 5.849 2.732 42 HB ILE 6 HB ILE 6 8.550 3.441 2.330 43 HG12 ILE 6 HG12 ILE 6 11.131 4.240 1.000 44 HG13 ILE 6 HG13 ILE 6 11.041 3.896 2.721 45 HG21 ILE 6 HG21 ILE 6 7.595 4.604 0.355 46 HG22 ILE 6 HG22 ILE 6 8.641 3.263 -0.106 47 HG23 ILE 6 HG23 ILE 6 9.231 4.918 -0.225 48 HD11 ILE 6 HD11 ILE 6 9.958 1.953 0.684 49 HD12 ILE 6 HD12 ILE 6 10.408 1.644 2.361 50 HD13 ILE 6 HD13 ILE 6 11.659 1.936 1.151 51 H SER 7 H SER 7 10.127 6.639 0.524 52 HA SER 7 HA SER 7 7.830 8.414 -0.012 53 HB2 SER 7 HB2 SER 7 10.105 9.438 0.391 54 HB3 SER 7 HB3 SER 7 10.642 8.662 -1.097 55 HG SER 7 HG SER 7 9.910 10.525 -1.854 56 HA PRO 8 HA PRO 8 6.505 6.164 -3.557 57 HB2 PRO 8 HB2 PRO 8 6.736 8.774 -4.987 58 HB3 PRO 8 HB3 PRO 8 5.376 7.639 -4.919 59 HG2 PRO 8 HG2 PRO 8 5.452 9.929 -3.495 60 HG3 PRO 8 HG3 PRO 8 4.597 8.477 -2.957 61 HD2 PRO 8 HD2 PRO 8 7.051 9.687 -1.871 62 HD3 PRO 8 HD3 PRO 8 5.966 8.488 -1.134 63 H HIS 9 H HIS 9 9.393 8.036 -3.485 64 HA HIS 9 HA HIS 9 10.374 7.195 -6.072 65 HB2 HIS 9 HB2 HIS 9 11.179 9.057 -3.989 66 HB3 HIS 9 HB3 HIS 9 12.546 8.115 -4.585 67 HD1 HIS 9 HD1 HIS 9 9.605 10.064 -6.054 68 HD2 HIS 9 HD2 HIS 9 13.568 9.127 -6.940 69 HE1 HIS 9 HE1 HIS 9 10.169 11.292 -8.196 70 H ASP 10 H ASP 10 10.600 6.074 -2.756 71 HA ASP 10 HA ASP 10 12.834 4.317 -3.286 72 HB2 ASP 10 HB2 ASP 10 11.267 5.151 -0.982 73 HB3 ASP 10 HB3 ASP 10 11.585 3.417 -0.975 74 H ALA 11 H ALA 11 9.360 3.855 -2.613 75 HA ALA 11 HA ALA 11 9.135 1.136 -2.828 76 HB1 ALA 11 HB1 ALA 11 7.106 2.138 -2.375 77 HB2 ALA 11 HB2 ALA 11 6.887 1.767 -4.086 78 HB3 ALA 11 HB3 ALA 11 7.338 3.399 -3.587 79 H GLN 12 H GLN 12 9.575 3.475 -5.422 80 HA GLN 12 HA GLN 12 9.082 1.745 -7.606 81 HB2 GLN 12 HB2 GLN 12 9.148 4.122 -7.970 82 HB3 GLN 12 HB3 GLN 12 10.798 4.222 -7.356 83 HG2 GLN 12 HG2 GLN 12 10.556 2.271 -9.510 84 HG3 GLN 12 HG3 GLN 12 10.059 3.883 -10.021 85 HE21 GLN 12 HE21 GLN 12 12.800 1.913 -9.130 86 HE22 GLN 12 HE22 GLN 12 13.978 3.120 -9.325 87 H GLU 13 H GLU 13 11.992 2.463 -5.735 88 HA GLU 13 HA GLU 13 13.778 0.972 -7.391 89 HB2 GLU 13 HB2 GLU 13 14.167 1.575 -4.460 90 HB3 GLU 13 HB3 GLU 13 15.402 1.356 -5.699 91 HG2 GLU 13 HG2 GLU 13 14.445 3.389 -6.870 92 HG3 GLU 13 HG3 GLU 13 13.451 3.655 -5.437 93 H LEU 14 H LEU 14 11.978 0.245 -4.423 94 HA LEU 14 HA LEU 14 13.080 -2.341 -4.017 95 HB2 LEU 14 HB2 LEU 14 10.322 -1.476 -3.165 96 HB3 LEU 14 HB3 LEU 14 11.401 -2.628 -2.375 97 HG LEU 14 HG LEU 14 11.833 0.361 -2.629 98 HD11 LEU 14 HD11 LEU 14 11.820 0.097 -0.076 99 HD12 LEU 14 HD12 LEU 14 11.143 -1.507 -0.357 100 HD13 LEU 14 HD13 LEU 14 10.267 -0.073 -0.893 101 HD21 LEU 14 HD21 LEU 14 14.022 -0.365 -2.663 102 HD22 LEU 14 HD22 LEU 14 13.629 -1.913 -1.916 103 HD23 LEU 14 HD23 LEU 14 13.747 -0.460 -0.923 104 H ILE 15 H ILE 15 10.176 -1.186 -5.698 105 HA ILE 15 HA ILE 15 8.907 -3.562 -6.282 106 HB ILE 15 HB ILE 15 9.226 -0.988 -7.783 107 HG12 ILE 15 HG12 ILE 15 6.675 -2.375 -6.987 108 HG13 ILE 15 HG13 ILE 15 7.636 -1.538 -5.766 109 HG21 ILE 15 HG21 ILE 15 7.413 -2.047 -9.342 110 HG22 ILE 15 HG22 ILE 15 8.100 -3.583 -8.814 111 HG23 ILE 15 HG23 ILE 15 9.113 -2.406 -9.651 112 HD11 ILE 15 HD11 ILE 15 7.139 0.526 -6.600 113 HD12 ILE 15 HD12 ILE 15 5.745 -0.309 -7.286 114 HD13 ILE 15 HD13 ILE 15 7.180 -0.030 -8.274 115 H ALA 16 H ALA 16 11.934 -2.363 -7.413 116 HA ALA 16 HA ALA 16 12.130 -4.184 -9.664 117 HB1 ALA 16 HB1 ALA 16 14.693 -3.256 -9.073 118 HB2 ALA 16 HB2 ALA 16 13.631 -1.923 -8.619 119 HB3 ALA 16 HB3 ALA 16 13.580 -2.573 -10.258 120 H ARG 17 H ARG 17 12.871 -4.196 -6.289 121 HA ARG 17 HA ARG 17 14.737 -6.421 -6.480 122 HB2 ARG 17 HB2 ARG 17 14.483 -4.407 -4.676 123 HB3 ARG 17 HB3 ARG 17 13.612 -5.697 -3.846 124 HG2 ARG 17 HG2 ARG 17 15.615 -7.198 -4.382 125 HG3 ARG 17 HG3 ARG 17 16.472 -5.721 -4.826 126 HD2 ARG 17 HD2 ARG 17 17.018 -5.597 -2.631 127 HD3 ARG 17 HD3 ARG 17 15.365 -5.031 -2.405 128 HE ARG 17 HE ARG 17 14.970 -7.647 -2.226 129 HH11 ARG 17 HH21 ARG 17 17.530 -5.681 -0.982 130 HH12 ARG 17 HH22 ARG 17 17.834 -6.699 0.387 131 HH21 ARG 17 HH11 ARG 17 15.365 -8.991 -0.438 132 HH22 ARG 17 HH12 ARG 17 16.607 -8.574 0.694 133 H GLY 18 H GLY 18 11.403 -5.827 -5.435 134 HA2 GLY 18 HA2 GLY 18 10.124 -8.033 -6.179 135 HA3 GLY 18 HA3 GLY 18 11.021 -8.656 -4.799 136 H ALA 19 H ALA 19 10.643 -5.651 -3.834 137 HA ALA 19 HA ALA 19 9.010 -5.882 -1.752 138 HB1 ALA 19 HB1 ALA 19 9.414 -3.677 -1.751 139 HB2 ALA 19 HB2 ALA 19 8.078 -3.484 -2.885 140 HB3 ALA 19 HB3 ALA 19 9.723 -3.684 -3.487 141 H LYS 20 H LYS 20 6.815 -5.846 -1.241 142 HA LYS 20 HA LYS 20 5.009 -6.477 -3.493 143 HB2 LYS 20 HB2 LYS 20 5.255 -7.523 -0.708 144 HB3 LYS 20 HB3 LYS 20 3.642 -7.413 -1.401 145 HG2 LYS 20 HG2 LYS 20 4.766 -8.602 -3.474 146 HG3 LYS 20 HG3 LYS 20 5.969 -9.095 -2.280 147 HD2 LYS 20 HD2 LYS 20 4.311 -10.827 -2.327 148 HD3 LYS 20 HD3 LYS 20 4.031 -9.910 -0.845 149 HE2 LYS 20 HE2 LYS 20 2.085 -8.951 -1.640 150 HE3 LYS 20 HE3 LYS 20 2.606 -9.037 -3.322 151 HZ1 LYS 20 HZ1 LYS 20 2.444 -11.559 -2.964 152 HZ2 LYS 20 HZ2 LYS 20 1.007 -10.677 -3.181 153 HZ3 LYS 20 HZ3 LYS 20 1.480 -11.166 -1.623 154 H LEU 21 H LEU 21 3.847 -4.725 -4.010 155 HA LEU 21 HA LEU 21 3.033 -2.844 -1.909 156 HB2 LEU 21 HB2 LEU 21 3.170 -2.749 -4.901 157 HB3 LEU 21 HB3 LEU 21 2.082 -1.652 -4.051 158 HG LEU 21 HG LEU 21 4.853 -1.884 -2.988 159 HD11 LEU 21 HD11 LEU 21 5.689 -0.253 -4.653 160 HD12 LEU 21 HD12 LEU 21 4.166 -0.382 -5.534 161 HD13 LEU 21 HD13 LEU 21 5.240 -1.777 -5.418 162 HD21 LEU 21 HD21 LEU 21 2.993 -0.416 -2.068 163 HD22 LEU 21 HD22 LEU 21 3.108 0.529 -3.553 164 HD23 LEU 21 HD23 LEU 21 4.487 0.436 -2.458 165 H ILE 22 H ILE 22 0.995 -2.727 -1.145 166 HA ILE 22 HA ILE 22 -1.144 -4.108 -2.633 167 HB ILE 22 HB ILE 22 -0.900 -4.306 0.362 168 HG12 ILE 22 HG12 ILE 22 0.007 -6.383 -1.653 169 HG13 ILE 22 HG13 ILE 22 1.115 -5.291 -0.821 170 HG21 ILE 22 HG21 ILE 22 -3.074 -4.725 -0.965 171 HG22 ILE 22 HG22 ILE 22 -2.551 -5.991 0.146 172 HG23 ILE 22 HG23 ILE 22 -2.267 -6.165 -1.586 173 HD11 ILE 22 HD11 ILE 22 1.187 -6.951 0.740 174 HD12 ILE 22 HD12 ILE 22 -0.351 -7.641 0.219 175 HD13 ILE 22 HD13 ILE 22 -0.331 -6.236 1.286 176 H ASP 23 H ASP 23 -3.139 -3.173 -2.524 177 HA ASP 23 HA ASP 23 -3.248 -0.518 -1.264 178 HB2 ASP 23 HB2 ASP 23 -3.818 -0.963 -3.750 179 HB3 ASP 23 HB3 ASP 23 -5.318 -1.656 -3.133 180 H ILE 24 H ILE 24 -4.691 -0.030 0.330 181 HA ILE 24 HA ILE 24 -6.680 -2.061 1.083 182 HB ILE 24 HB ILE 24 -6.047 -1.763 3.473 183 HG12 ILE 24 HG12 ILE 24 -3.352 -0.799 2.867 184 HG13 ILE 24 HG13 ILE 24 -4.587 0.400 2.487 185 HG21 ILE 24 HG21 ILE 24 -5.215 -3.674 2.115 186 HG22 ILE 24 HG22 ILE 24 -4.065 -3.196 3.363 187 HG23 ILE 24 HG23 ILE 24 -3.793 -2.723 1.686 188 HD11 ILE 24 HD11 ILE 24 -4.438 -1.077 5.127 189 HD12 ILE 24 HD12 ILE 24 -5.488 0.283 4.729 190 HD13 ILE 24 HD13 ILE 24 -3.744 0.522 4.858 191 H ARG 25 H ARG 25 -8.175 -0.577 0.156 192 HA ARG 25 HA ARG 25 -9.281 1.253 2.048 193 HB2 ARG 25 HB2 ARG 25 -7.275 2.334 0.423 194 HB3 ARG 25 HB3 ARG 25 -8.782 2.850 -0.329 195 HG2 ARG 25 HG2 ARG 25 -8.158 3.152 2.623 196 HG3 ARG 25 HG3 ARG 25 -7.963 4.437 1.432 197 HD2 ARG 25 HD2 ARG 25 -10.287 4.555 1.010 198 HD3 ARG 25 HD3 ARG 25 -10.589 2.991 1.760 199 HE ARG 25 HE ARG 25 -9.624 4.434 3.831 200 HH11 ARG 25 HH21 ARG 25 -12.004 5.068 1.402 201 HH12 ARG 25 HH22 ARG 25 -12.969 6.088 2.417 202 HH21 ARG 25 HH11 ARG 25 -10.883 5.771 5.169 203 HH22 ARG 25 HH12 ARG 25 -12.334 6.486 4.549 204 H ASP 26 H ASP 26 -10.523 2.874 -0.131 205 HA ASP 26 HA ASP 26 -12.578 0.927 -0.845 206 HB2 ASP 26 HB2 ASP 26 -12.381 3.900 -0.758 207 HB3 ASP 26 HB3 ASP 26 -13.539 3.185 -1.878 208 H ALA 27 H ALA 27 -12.343 -0.196 -2.670 209 HA ALA 27 HA ALA 27 -10.533 0.124 -4.684 210 HB1 ALA 27 HB1 ALA 27 -11.707 -1.459 -5.844 211 HB2 ALA 27 HB2 ALA 27 -13.258 -0.664 -5.571 212 HB3 ALA 27 HB3 ALA 27 -12.523 -1.629 -4.290 213 H ASP 28 H ASP 28 -13.734 1.644 -4.471 214 HA ASP 28 HA ASP 28 -13.994 2.878 -6.886 215 HB2 ASP 28 HB2 ASP 28 -15.511 3.098 -4.857 216 HB3 ASP 28 HB3 ASP 28 -14.416 4.353 -4.281 217 H GLU 29 H GLU 29 -11.547 3.375 -4.534 218 HA GLU 29 HA GLU 29 -10.649 5.921 -5.630 219 HB2 GLU 29 HB2 GLU 29 -9.263 4.162 -3.595 220 HB3 GLU 29 HB3 GLU 29 -9.005 5.883 -3.879 221 HG2 GLU 29 HG2 GLU 29 -11.807 5.258 -3.328 222 HG3 GLU 29 HG3 GLU 29 -10.742 4.793 -2.002 223 H TYR 30 H TYR 30 -9.733 2.529 -5.586 224 HA TYR 30 HA TYR 30 -7.330 2.952 -7.143 225 HB2 TYR 30 HB2 TYR 30 -8.125 1.000 -5.409 226 HB3 TYR 30 HB3 TYR 30 -8.445 0.230 -6.963 227 HD1 TYR 30 HD2 TYR 30 -5.802 2.483 -5.527 228 HD2 TYR 30 HD1 TYR 30 -6.692 -1.062 -7.782 229 HE1 TYR 30 HE2 TYR 30 -3.376 2.057 -5.813 230 HE2 TYR 30 HE1 TYR 30 -4.266 -1.488 -8.069 231 HH TYR 30 HH TYR 30 -2.134 -0.877 -6.833 232 H LEU 31 H LEU 31 -10.677 2.287 -7.702 233 HA LEU 31 HA LEU 31 -10.540 1.074 -10.244 234 HB2 LEU 31 HB2 LEU 31 -12.540 1.749 -8.488 235 HB3 LEU 31 HB3 LEU 31 -12.801 2.894 -9.801 236 HG LEU 31 HG LEU 31 -14.065 0.924 -10.341 237 HD11 LEU 31 HD11 LEU 31 -13.319 0.670 -12.494 238 HD12 LEU 31 HD12 LEU 31 -11.663 0.331 -11.988 239 HD13 LEU 31 HD13 LEU 31 -12.249 1.994 -12.029 240 HD21 LEU 31 HD21 LEU 31 -11.988 -0.390 -8.926 241 HD22 LEU 31 HD22 LEU 31 -11.966 -1.045 -10.563 242 HD23 LEU 31 HD23 LEU 31 -13.445 -1.115 -9.605 243 H ARG 32 H ARG 32 -10.792 4.475 -9.244 244 HA ARG 32 HA ARG 32 -10.863 5.529 -11.894 245 HB2 ARG 32 HB2 ARG 32 -10.134 6.796 -9.243 246 HB3 ARG 32 HB3 ARG 32 -10.299 7.691 -10.755 247 HG2 ARG 32 HG2 ARG 32 -12.637 6.620 -10.925 248 HG3 ARG 32 HG3 ARG 32 -12.433 6.203 -9.224 249 HD2 ARG 32 HD2 ARG 32 -11.698 8.800 -9.138 250 HD3 ARG 32 HD3 ARG 32 -12.826 8.861 -10.488 251 HE ARG 32 HE ARG 32 -13.704 7.555 -8.004 252 HH11 ARG 32 HH21 ARG 32 -13.802 10.210 -10.224 253 HH12 ARG 32 HH22 ARG 32 -15.282 10.855 -9.599 254 HH21 ARG 32 HH11 ARG 32 -15.644 8.397 -7.182 255 HH22 ARG 32 HH12 ARG 32 -16.326 9.829 -7.878 256 H GLU 33 H GLU 33 -8.355 4.374 -9.834 257 HA GLU 33 HA GLU 33 -6.389 4.665 -11.907 258 HB2 GLU 33 HB2 GLU 33 -6.648 6.903 -10.347 259 HB3 GLU 33 HB3 GLU 33 -5.392 6.007 -9.489 260 HG2 GLU 33 HG2 GLU 33 -4.195 5.722 -11.677 261 HG3 GLU 33 HG3 GLU 33 -5.386 6.792 -12.415 262 H HIS 34 H HIS 34 -5.095 2.939 -11.762 263 HA HIS 34 HA HIS 34 -4.457 1.869 -9.096 264 HB2 HIS 34 HB2 HIS 34 -4.789 -0.462 -10.180 265 HB3 HIS 34 HB3 HIS 34 -6.221 0.423 -9.652 266 HD1 HIS 34 HD1 HIS 34 -4.971 -1.348 -12.496 267 HD2 HIS 34 HD2 HIS 34 -7.261 2.101 -12.001 268 HE1 HIS 34 HE1 HIS 34 -6.135 -0.937 -14.708 269 H ILE 35 H ILE 35 -2.604 0.392 -9.130 270 HA ILE 35 HA ILE 35 -0.727 1.150 -11.269 271 HB ILE 35 HB ILE 35 -0.142 0.048 -8.513 272 HG12 ILE 35 HG12 ILE 35 -0.190 2.854 -9.648 273 HG13 ILE 35 HG13 ILE 35 -1.054 2.243 -8.237 274 HG21 ILE 35 HG21 ILE 35 2.130 0.372 -9.000 275 HG22 ILE 35 HG22 ILE 35 1.785 1.466 -10.341 276 HG23 ILE 35 HG23 ILE 35 1.503 -0.266 -10.520 277 HD11 ILE 35 HD11 ILE 35 0.833 3.485 -7.413 278 HD12 ILE 35 HD12 ILE 35 1.931 2.664 -8.522 279 HD13 ILE 35 HD13 ILE 35 1.205 1.776 -7.183 280 HA PRO 36 HA PRO 36 -0.960 -3.132 -12.535 281 HB2 PRO 36 HB2 PRO 36 0.864 -3.039 -14.536 282 HB3 PRO 36 HB3 PRO 36 -0.738 -2.293 -14.676 283 HG2 PRO 36 HG2 PRO 36 1.890 -1.023 -14.103 284 HG3 PRO 36 HG3 PRO 36 0.557 -0.450 -15.120 285 HD2 PRO 36 HD2 PRO 36 1.022 0.443 -12.547 286 HD3 PRO 36 HD3 PRO 36 -0.565 0.487 -13.345 287 H GLU 37 H GLU 37 0.962 -2.089 -10.414 288 HA GLU 37 HA GLU 37 2.765 -4.408 -10.465 289 HB2 GLU 37 HB2 GLU 37 3.586 -1.523 -10.252 290 HB3 GLU 37 HB3 GLU 37 4.557 -2.795 -9.509 291 HG2 GLU 37 HG2 GLU 37 3.695 -2.864 -12.408 292 HG3 GLU 37 HG3 GLU 37 5.227 -2.173 -11.877 293 H ALA 38 H ALA 38 0.338 -3.861 -9.000 294 HA ALA 38 HA ALA 38 1.328 -4.389 -6.335 295 HB1 ALA 38 HB1 ALA 38 -0.159 -2.544 -5.362 296 HB2 ALA 38 HB2 ALA 38 -0.149 -1.839 -6.980 297 HB3 ALA 38 HB3 ALA 38 1.363 -2.034 -6.093 298 H ASP 39 H ASP 39 -0.288 -5.238 -4.946 299 HA ASP 39 HA ASP 39 -2.527 -6.418 -6.404 300 HB2 ASP 39 HB2 ASP 39 -1.458 -8.043 -5.115 301 HB3 ASP 39 HB3 ASP 39 -1.201 -6.942 -3.763 302 H LEU 40 H LEU 40 -4.692 -6.370 -5.578 303 HA LEU 40 HA LEU 40 -5.284 -3.885 -4.090 304 HB2 LEU 40 HB2 LEU 40 -6.159 -3.964 -6.405 305 HB3 LEU 40 HB3 LEU 40 -7.053 -5.430 -6.001 306 HG LEU 40 HG LEU 40 -7.869 -3.814 -3.980 307 HD11 LEU 40 HD11 LEU 40 -6.462 -2.020 -5.426 308 HD12 LEU 40 HD12 LEU 40 -7.900 -1.584 -4.506 309 HD13 LEU 40 HD13 LEU 40 -8.021 -1.888 -6.239 310 HD21 LEU 40 HD21 LEU 40 -9.789 -3.228 -5.719 311 HD22 LEU 40 HD22 LEU 40 -9.553 -4.885 -5.165 312 HD23 LEU 40 HD23 LEU 40 -8.916 -4.381 -6.730 313 H ALA 41 H ALA 41 -5.940 -4.169 -2.059 314 HA ALA 41 HA ALA 41 -7.762 -6.369 -1.431 315 HB1 ALA 41 HB1 ALA 41 -4.969 -6.353 -0.698 316 HB2 ALA 41 HB2 ALA 41 -6.181 -7.605 -0.430 317 HB3 ALA 41 HB3 ALA 41 -5.983 -6.305 0.744 318 HA PRO 42 HA PRO 42 -9.263 -2.322 0.191 319 HB2 PRO 42 HB2 PRO 42 -11.471 -4.267 0.763 320 HB3 PRO 42 HB3 PRO 42 -11.563 -2.608 0.143 321 HG2 PRO 42 HG2 PRO 42 -11.832 -4.711 -1.471 322 HG3 PRO 42 HG3 PRO 42 -11.018 -3.230 -1.997 323 HD2 PRO 42 HD2 PRO 42 -9.852 -5.879 -1.374 324 HD3 PRO 42 HD3 PRO 42 -9.221 -4.586 -2.415 325 H LEU 43 H LEU 43 -8.753 -1.620 2.162 326 HA LEU 43 HA LEU 43 -7.688 -3.012 4.237 327 HB2 LEU 43 HB2 LEU 43 -7.504 -0.853 4.842 328 HB3 LEU 43 HB3 LEU 43 -8.899 -0.390 3.877 329 HG LEU 43 HG LEU 43 -10.386 -1.211 5.723 330 HD11 LEU 43 HD11 LEU 43 -8.012 -2.423 6.609 331 HD12 LEU 43 HD12 LEU 43 -9.542 -2.356 7.485 332 HD13 LEU 43 HD13 LEU 43 -8.311 -1.126 7.766 333 HD21 LEU 43 HD21 LEU 43 -10.249 0.797 6.860 334 HD22 LEU 43 HD22 LEU 43 -9.258 1.186 5.455 335 HD23 LEU 43 HD23 LEU 43 -8.491 0.734 6.977 336 H SER 44 H SER 44 -11.037 -2.902 3.339 337 HA SER 44 HA SER 44 -12.035 -3.879 5.864 338 HB2 SER 44 HB2 SER 44 -13.312 -2.491 4.117 339 HB3 SER 44 HB3 SER 44 -13.498 -4.005 3.236 340 HG SER 44 HG SER 44 -14.234 -4.792 5.434 341 H VAL 45 H VAL 45 -10.880 -5.305 2.888 342 HA VAL 45 HA VAL 45 -12.012 -7.908 3.502 343 HB VAL 45 HB VAL 45 -10.839 -8.648 1.471 344 HG11 VAL 45 HG11 VAL 45 -12.761 -6.453 1.628 345 HG12 VAL 45 HG12 VAL 45 -12.774 -7.884 0.596 346 HG13 VAL 45 HG13 VAL 45 -11.861 -6.454 0.111 347 HG21 VAL 45 HG21 VAL 45 -9.990 -5.891 0.796 348 HG22 VAL 45 HG22 VAL 45 -9.212 -7.427 0.426 349 HG23 VAL 45 HG23 VAL 45 -9.021 -6.705 2.022 350 H LEU 46 H LEU 46 -8.985 -6.229 3.959 351 HA LEU 46 HA LEU 46 -7.388 -8.550 4.427 352 HB2 LEU 46 HB2 LEU 46 -6.680 -6.074 3.926 353 HB3 LEU 46 HB3 LEU 46 -6.766 -5.902 5.679 354 HG LEU 46 HG LEU 46 -5.318 -8.016 5.803 355 HD11 LEU 46 HD11 LEU 46 -3.847 -8.086 3.614 356 HD12 LEU 46 HD12 LEU 46 -5.293 -7.413 2.863 357 HD13 LEU 46 HD13 LEU 46 -5.369 -8.974 3.679 358 HD21 LEU 46 HD21 LEU 46 -3.922 -5.727 4.419 359 HD22 LEU 46 HD22 LEU 46 -3.337 -6.733 5.744 360 HD23 LEU 46 HD23 LEU 46 -4.595 -5.532 6.037 361 H GLU 47 H GLU 47 -9.146 -6.312 6.549 362 HA GLU 47 HA GLU 47 -8.346 -7.695 8.948 363 HB2 GLU 47 HB2 GLU 47 -9.256 -5.182 8.458 364 HB3 GLU 47 HB3 GLU 47 -10.731 -5.957 9.040 365 HG2 GLU 47 HG2 GLU 47 -9.056 -6.917 10.883 366 HG3 GLU 47 HG3 GLU 47 -8.160 -5.455 10.474 367 H GLN 48 H GLN 48 -11.082 -7.756 6.754 368 HA GLN 48 HA GLN 48 -12.632 -9.487 8.513 369 HB2 GLN 48 HB2 GLN 48 -13.147 -8.438 5.723 370 HB3 GLN 48 HB3 GLN 48 -14.269 -9.460 6.622 371 HG2 GLN 48 HG2 GLN 48 -13.204 -6.832 7.683 372 HG3 GLN 48 HG3 GLN 48 -14.723 -6.974 6.800 373 HE21 GLN 48 HE21 GLN 48 -15.788 -9.349 7.845 374 HE22 GLN 48 HE22 GLN 48 -16.054 -9.168 9.512 375 H SER 49 H SER 49 -10.931 -9.697 5.399 376 HA SER 49 HA SER 49 -11.454 -12.552 5.213 377 HB2 SER 49 HB2 SER 49 -11.193 -10.731 3.283 378 HB3 SER 49 HB3 SER 49 -9.501 -11.204 3.415 379 HG SER 49 HG SER 49 -10.396 -12.622 2.003 380 H GLY 50 H GLY 50 -8.408 -10.761 4.828 381 HA2 GLY 50 HA2 GLY 50 -6.567 -11.061 6.404 382 HA3 GLY 50 HA3 GLY 50 -7.121 -12.717 6.634 383 H LEU 51 H LEU 51 -5.382 -10.530 4.567 384 HA LEU 51 HA LEU 51 -4.496 -12.823 2.916 385 HB2 LEU 51 HB2 LEU 51 -5.826 -10.889 1.808 386 HB3 LEU 51 HB3 LEU 51 -4.340 -9.960 2.007 387 HG LEU 51 HG LEU 51 -3.133 -11.906 0.872 388 HD11 LEU 51 HD11 LEU 51 -5.162 -12.905 -0.732 389 HD12 LEU 51 HD12 LEU 51 -5.904 -12.865 0.867 390 HD13 LEU 51 HD13 LEU 51 -4.406 -13.760 0.611 391 HD21 LEU 51 HD21 LEU 51 -4.829 -9.812 -0.259 392 HD22 LEU 51 HD22 LEU 51 -4.605 -11.158 -1.376 393 HD23 LEU 51 HD23 LEU 51 -3.202 -10.309 -0.728 394 HA PRO 52 HA PRO 52 -0.838 -11.349 5.298 395 HB2 PRO 52 HB2 PRO 52 -0.042 -14.170 5.205 396 HB3 PRO 52 HB3 PRO 52 -0.335 -13.136 6.613 397 HG2 PRO 52 HG2 PRO 52 -1.963 -15.175 5.897 398 HG3 PRO 52 HG3 PRO 52 -2.522 -13.733 6.760 399 HD2 PRO 52 HD2 PRO 52 -2.816 -14.426 3.859 400 HD3 PRO 52 HD3 PRO 52 -3.947 -13.580 4.940 401 H ALA 53 H ALA 53 -0.744 -10.620 2.788 402 HA ALA 53 HA ALA 53 0.548 -11.920 0.791 403 HB1 ALA 53 HB1 ALA 53 0.217 -9.781 0.099 404 HB2 ALA 53 HB2 ALA 53 1.869 -9.540 0.667 405 HB3 ALA 53 HB3 ALA 53 0.508 -9.111 1.705 406 H LYS 54 H LYS 54 1.878 -10.951 3.846 407 HA LYS 54 HA LYS 54 4.605 -10.981 3.400 408 HB2 LYS 54 HB2 LYS 54 4.326 -10.495 5.586 409 HB3 LYS 54 HB3 LYS 54 2.798 -11.363 5.668 410 HG2 LYS 54 HG2 LYS 54 4.003 -13.500 5.880 411 HG3 LYS 54 HG3 LYS 54 5.546 -12.648 5.765 412 HD2 LYS 54 HD2 LYS 54 5.034 -11.408 7.820 413 HD3 LYS 54 HD3 LYS 54 3.457 -12.192 7.916 414 HE2 LYS 54 HE2 LYS 54 5.545 -14.175 7.620 415 HE3 LYS 54 HE3 LYS 54 5.878 -13.136 9.005 416 HZ1 LYS 54 HZ1 LYS 54 3.575 -14.890 8.508 417 HZ2 LYS 54 HZ2 LYS 54 3.371 -13.512 9.480 418 HZ3 LYS 54 HZ3 LYS 54 4.501 -14.704 9.917 419 H LEU 55 H LEU 55 2.364 -13.550 3.117 420 HA LEU 55 HA LEU 55 4.284 -15.681 3.509 421 HB2 LEU 55 HB2 LEU 55 1.537 -15.513 3.641 422 HB3 LEU 55 HB3 LEU 55 1.800 -16.350 2.111 423 HG LEU 55 HG LEU 55 3.542 -17.739 3.550 424 HD11 LEU 55 HD11 LEU 55 3.098 -16.253 5.560 425 HD12 LEU 55 HD12 LEU 55 2.908 -17.980 5.859 426 HD13 LEU 55 HD13 LEU 55 1.485 -16.962 5.634 427 HD21 LEU 55 HD21 LEU 55 0.530 -18.076 3.664 428 HD22 LEU 55 HD22 LEU 55 1.694 -19.344 4.051 429 HD23 LEU 55 HD23 LEU 55 1.606 -18.696 2.412 430 H ARG 56 H ARG 56 3.424 -13.596 0.972 431 HA ARG 56 HA ARG 56 4.467 -15.487 -1.041 432 HB2 ARG 56 HB2 ARG 56 2.739 -13.023 -1.342 433 HB3 ARG 56 HB3 ARG 56 3.431 -13.910 -2.701 434 HG2 ARG 56 HG2 ARG 56 2.316 -15.994 -1.739 435 HG3 ARG 56 HG3 ARG 56 1.430 -14.910 -0.665 436 HD2 ARG 56 HD2 ARG 56 -0.070 -14.684 -2.335 437 HD3 ARG 56 HD3 ARG 56 1.152 -13.726 -3.166 438 HE ARG 56 HE ARG 56 1.483 -15.509 -4.617 439 HH11 ARG 56 HH21 ARG 56 -0.223 -16.512 -1.780 440 HH12 ARG 56 HH22 ARG 56 -0.560 -18.104 -2.376 441 HH21 ARG 56 HH11 ARG 56 1.045 -17.593 -5.407 442 HH22 ARG 56 HH12 ARG 56 0.158 -18.715 -4.431 443 H HIS 57 H HIS 57 5.863 -13.602 0.937 444 HA HIS 57 HA HIS 57 8.069 -12.958 -0.684 445 HB2 HIS 57 HB2 HIS 57 5.932 -10.983 -0.685 446 HB3 HIS 57 HB3 HIS 57 7.446 -10.310 -0.084 447 HD1 HIS 57 HD1 HIS 57 5.767 -11.452 -3.169 448 HD2 HIS 57 HD2 HIS 57 9.665 -10.584 -1.973 449 HE1 HIS 57 HE1 HIS 57 7.136 -11.236 -5.289 450 H GLU 58 H GLU 58 9.207 -10.847 0.550 451 HA GLU 58 HA GLU 58 9.248 -11.622 3.408 452 HB2 GLU 58 HB2 GLU 58 11.285 -12.300 2.115 453 HB3 GLU 58 HB3 GLU 58 11.572 -10.596 1.758 454 HG2 GLU 58 HG2 GLU 58 12.357 -10.176 3.838 455 HG3 GLU 58 HG3 GLU 58 11.084 -11.124 4.602 456 H GLN 59 H GLN 59 9.307 -9.071 1.028 457 HA GLN 59 HA GLN 59 9.160 -7.055 3.188 458 HB2 GLN 59 HB2 GLN 59 10.432 -7.070 0.515 459 HB3 GLN 59 HB3 GLN 59 9.579 -5.587 0.941 460 HG2 GLN 59 HG2 GLN 59 11.823 -5.317 1.731 461 HG3 GLN 59 HG3 GLN 59 10.834 -5.638 3.154 462 HE21 GLN 59 HE21 GLN 59 13.796 -6.336 2.198 463 HE22 GLN 59 HE22 GLN 59 13.945 -7.954 2.685 464 H ILE 60 H ILE 60 7.334 -5.866 3.365 465 HA ILE 60 HA ILE 60 5.334 -6.104 1.201 466 HB ILE 60 HB ILE 60 4.421 -5.840 4.026 467 HG12 ILE 60 HG12 ILE 60 4.446 -8.406 4.104 468 HG13 ILE 60 HG13 ILE 60 5.608 -8.331 2.779 469 HG21 ILE 60 HG21 ILE 60 2.472 -6.782 3.183 470 HG22 ILE 60 HG22 ILE 60 3.331 -7.707 1.951 471 HG23 ILE 60 HG23 ILE 60 3.080 -5.973 1.739 472 HD11 ILE 60 HD11 ILE 60 6.184 -8.135 5.516 473 HD12 ILE 60 HD12 ILE 60 6.331 -6.487 4.906 474 HD13 ILE 60 HD13 ILE 60 7.284 -7.784 4.184 475 H ILE 61 H ILE 61 4.072 -4.315 0.780 476 HA ILE 61 HA ILE 61 4.586 -1.871 2.341 477 HB ILE 61 HB ILE 61 4.533 -1.815 -0.671 478 HG12 ILE 61 HG12 ILE 61 6.954 -2.061 1.144 479 HG13 ILE 61 HG13 ILE 61 6.398 -3.281 -0.002 480 HG21 ILE 61 HG21 ILE 61 4.144 0.304 0.451 481 HG22 ILE 61 HG22 ILE 61 5.773 0.322 -0.225 482 HG23 ILE 61 HG23 ILE 61 5.537 0.048 1.501 483 HD11 ILE 61 HD11 ILE 61 7.209 -0.464 -0.775 484 HD12 ILE 61 HD12 ILE 61 6.801 -1.783 -1.873 485 HD13 ILE 61 HD13 ILE 61 8.268 -1.870 -0.896 486 H PHE 62 H PHE 62 2.814 -0.611 2.624 487 HA PHE 62 HA PHE 62 0.365 -1.385 1.151 488 HB2 PHE 62 HB2 PHE 62 0.708 -0.533 4.031 489 HB3 PHE 62 HB3 PHE 62 -0.859 -0.625 3.226 490 HD1 PHE 62 HD1 PHE 62 2.150 -2.618 4.156 491 HD2 PHE 62 HD2 PHE 62 -1.958 -2.708 2.906 492 HE1 PHE 62 HE1 PHE 62 2.074 -5.061 4.577 493 HE2 PHE 62 HE2 PHE 62 -2.034 -5.151 3.326 494 HZ PHE 62 HZ PHE 62 -0.016 -6.328 4.162 495 H HIS 63 H HIS 63 -0.705 0.191 0.110 496 HA HIS 63 HA HIS 63 -0.010 2.998 0.730 497 HB2 HIS 63 HB2 HIS 63 -0.359 3.356 -1.804 498 HB3 HIS 63 HB3 HIS 63 1.158 2.628 -1.276 499 HD1 HIS 63 HD1 HIS 63 -1.233 2.162 -3.799 500 HD2 HIS 63 HD2 HIS 63 0.617 -0.470 -1.148 501 HE1 HIS 63 HE1 HIS 63 -1.473 -0.151 -4.802 502 H CYS 64 H CYS 64 -1.698 4.355 0.927 503 HA CYS 64 HA CYS 64 -4.377 3.321 0.209 504 HB2 CYS 64 HB2 CYS 64 -4.446 3.483 2.531 505 HB3 CYS 64 HB3 CYS 64 -3.402 4.903 2.560 506 HG CYS 64 HG CYS 64 -5.891 5.682 2.947 507 H GLN 65 H GLN 65 -5.926 4.834 -0.556 508 HA GLN 65 HA GLN 65 -5.333 6.454 -2.602 509 HB2 GLN 65 HB2 GLN 65 -7.637 6.061 -1.898 510 HB3 GLN 65 HB3 GLN 65 -7.396 7.072 -0.473 511 HG2 GLN 65 HG2 GLN 65 -8.533 8.286 -2.340 512 HG3 GLN 65 HG3 GLN 65 -7.005 9.029 -1.866 513 HE21 GLN 65 HE21 GLN 65 -6.196 9.846 -3.831 514 HE22 GLN 65 HE22 GLN 65 -5.987 8.911 -5.233 515 H ALA 66 H ALA 66 -5.026 7.331 0.800 516 HA ALA 66 HA ALA 66 -3.577 9.769 -0.036 517 HB1 ALA 66 HB1 ALA 66 -4.445 10.925 1.913 518 HB2 ALA 66 HB2 ALA 66 -5.282 9.467 2.445 519 HB3 ALA 66 HB3 ALA 66 -5.796 10.290 0.973 520 H GLY 67 H GLY 67 -3.975 7.278 2.462 521 HA2 GLY 67 HA2 GLY 67 -1.707 6.212 2.986 522 HA3 GLY 67 HA3 GLY 67 -1.236 7.853 3.414 523 H LYS 68 H LYS 68 -3.858 8.514 4.539 524 HA LYS 68 HA LYS 68 -3.521 8.192 7.197 525 HB2 LYS 68 HB2 LYS 68 -6.155 8.030 5.713 526 HB3 LYS 68 HB3 LYS 68 -5.994 8.319 7.446 527 HG2 LYS 68 HG2 LYS 68 -4.493 10.058 5.510 528 HG3 LYS 68 HG3 LYS 68 -6.202 10.366 5.813 529 HD2 LYS 68 HD2 LYS 68 -5.703 10.435 8.266 530 HD3 LYS 68 HD3 LYS 68 -3.988 10.279 7.883 531 HE2 LYS 68 HE2 LYS 68 -5.220 12.380 6.299 532 HE3 LYS 68 HE3 LYS 68 -5.458 12.665 8.022 533 HZ1 LYS 68 HZ1 LYS 68 -2.838 11.777 7.649 534 HZ2 LYS 68 HZ2 LYS 68 -3.363 13.309 8.163 535 HZ3 LYS 68 HZ3 LYS 68 -3.122 13.001 6.509 536 H ARG 69 H ARG 69 -5.045 5.817 5.046 537 HA ARG 69 HA ARG 69 -5.744 3.949 7.054 538 HB2 ARG 69 HB2 ARG 69 -5.959 4.149 4.238 539 HB3 ARG 69 HB3 ARG 69 -5.120 2.634 4.574 540 HG2 ARG 69 HG2 ARG 69 -7.415 2.061 4.649 541 HG3 ARG 69 HG3 ARG 69 -6.950 2.222 6.343 542 HD2 ARG 69 HD2 ARG 69 -8.099 4.531 4.774 543 HD3 ARG 69 HD3 ARG 69 -9.126 3.386 5.632 544 HE ARG 69 HE ARG 69 -7.585 4.076 7.633 545 HH11 ARG 69 HH21 ARG 69 -8.717 6.068 5.033 546 HH12 ARG 69 HH22 ARG 69 -8.712 7.525 5.968 547 HH21 ARG 69 HH11 ARG 69 -7.575 5.986 8.858 548 HH22 ARG 69 HH12 ARG 69 -8.066 7.479 8.132 549 H THR 70 H THR 70 -2.781 4.540 5.272 550 HA THR 70 HA THR 70 -1.454 2.117 5.801 551 HB THR 70 HB THR 70 0.112 4.650 5.752 552 HG1 THR 70 HG1 THR 70 -1.762 4.848 4.317 553 HG21 THR 70 HG21 THR 70 1.378 3.278 4.061 554 HG22 THR 70 HG22 THR 70 0.249 1.959 4.371 555 HG23 THR 70 HG23 THR 70 1.296 2.546 5.664 556 H SER 71 H SER 71 -1.514 5.169 7.634 557 HA SER 71 HA SER 71 0.157 4.076 9.731 558 HB2 SER 71 HB2 SER 71 -0.898 6.357 10.783 559 HB3 SER 71 HB3 SER 71 0.545 6.305 9.776 560 HG SER 71 HG SER 71 -1.927 6.352 8.491 561 H ASN 72 H ASN 72 -3.222 4.288 9.032 562 HA ASN 72 HA ASN 72 -4.044 3.841 11.787 563 HB2 ASN 72 HB2 ASN 72 -5.349 4.515 9.242 564 HB3 ASN 72 HB3 ASN 72 -6.271 3.406 10.254 565 HD21 ASN 72 HD21 ASN 72 -7.441 4.343 11.949 566 HD22 ASN 72 HD22 ASN 72 -7.214 5.927 12.515 567 H ASN 73 H ASN 73 -3.619 2.004 8.817 568 HA ASN 73 HA ASN 73 -4.748 -0.404 10.044 569 HB2 ASN 73 HB2 ASN 73 -5.167 0.307 7.624 570 HB3 ASN 73 HB3 ASN 73 -3.505 -0.180 7.306 571 HD21 ASN 73 HD21 ASN 73 -3.605 -2.203 6.311 572 HD22 ASN 73 HD22 ASN 73 -4.561 -3.498 6.850 573 H ALA 74 H ALA 74 -1.729 1.119 9.579 574 HA ALA 74 HA ALA 74 0.068 -0.963 9.267 575 HB1 ALA 74 HB1 ALA 74 0.204 1.656 10.721 576 HB2 ALA 74 HB2 ALA 74 1.052 1.145 9.262 577 HB3 ALA 74 HB3 ALA 74 1.548 0.520 10.835 578 H ASP 75 H ASP 75 -1.806 -0.073 12.080 579 HA ASP 75 HA ASP 75 -0.325 -1.607 13.979 580 HB2 ASP 75 HB2 ASP 75 -2.735 -1.443 15.136 581 HB3 ASP 75 HB3 ASP 75 -1.611 -0.085 15.095 582 H LYS 76 H LYS 76 -2.915 -2.333 11.735 583 HA LYS 76 HA LYS 76 -3.478 -4.913 12.954 584 HB2 LYS 76 HB2 LYS 76 -4.425 -3.917 10.265 585 HB3 LYS 76 HB3 LYS 76 -5.161 -5.154 11.285 586 HG2 LYS 76 HG2 LYS 76 -4.898 -2.222 12.020 587 HG3 LYS 76 HG3 LYS 76 -6.374 -2.994 11.438 588 HD2 LYS 76 HD2 LYS 76 -6.117 -4.630 13.389 589 HD3 LYS 76 HD3 LYS 76 -4.901 -3.520 14.024 590 HE2 LYS 76 HE2 LYS 76 -6.670 -2.489 15.016 591 HE3 LYS 76 HE3 LYS 76 -6.943 -1.795 13.418 592 HZ1 LYS 76 HZ1 LYS 76 -8.866 -2.856 13.346 593 HZ2 LYS 76 HZ2 LYS 76 -8.571 -3.579 14.855 594 HZ3 LYS 76 HZ3 LYS 76 -8.058 -4.345 13.428 595 H LEU 77 H LEU 77 -1.385 -3.613 10.542 596 HA LEU 77 HA LEU 77 -0.984 -6.109 9.133 597 HB2 LEU 77 HB2 LEU 77 0.601 -3.531 9.055 598 HB3 LEU 77 HB3 LEU 77 0.773 -4.882 7.933 599 HG LEU 77 HG LEU 77 -1.765 -3.278 8.361 600 HD11 LEU 77 HD11 LEU 77 -0.877 -3.073 5.707 601 HD12 LEU 77 HD12 LEU 77 0.575 -2.863 6.686 602 HD13 LEU 77 HD13 LEU 77 -0.816 -1.809 6.935 603 HD21 LEU 77 HD21 LEU 77 -2.280 -4.567 6.133 604 HD22 LEU 77 HD22 LEU 77 -2.481 -5.401 7.675 605 HD23 LEU 77 HD23 LEU 77 -1.036 -5.681 6.702 606 H ALA 78 H ALA 78 1.105 -4.046 11.169 607 HA ALA 78 HA ALA 78 3.359 -5.515 11.380 608 HB1 ALA 78 HB1 ALA 78 3.811 -4.065 13.027 609 HB2 ALA 78 HB2 ALA 78 2.571 -4.778 14.059 610 HB3 ALA 78 HB3 ALA 78 2.142 -3.501 12.919 611 H ALA 79 H ALA 79 0.230 -6.401 12.638 612 HA ALA 79 HA ALA 79 1.237 -8.525 14.320 613 HB1 ALA 79 HB1 ALA 79 -0.780 -8.120 15.220 614 HB2 ALA 79 HB2 ALA 79 -1.463 -9.017 13.864 615 HB3 ALA 79 HB3 ALA 79 -1.327 -7.260 13.781 616 H ILE 80 H ILE 80 -0.485 -8.338 11.208 617 HA ILE 80 HA ILE 80 -0.315 -11.194 10.796 618 HB ILE 80 HB ILE 80 -1.199 -8.933 8.994 619 HG12 ILE 80 HG12 ILE 80 -2.753 -11.071 10.486 620 HG13 ILE 80 HG13 ILE 80 -2.610 -9.389 10.997 621 HG21 ILE 80 HG21 ILE 80 -1.353 -11.939 8.617 622 HG22 ILE 80 HG22 ILE 80 -0.379 -10.821 7.662 623 HG23 ILE 80 HG23 ILE 80 -2.139 -10.748 7.581 624 HD11 ILE 80 HD11 ILE 80 -4.675 -10.203 9.528 625 HD12 ILE 80 HD12 ILE 80 -3.536 -9.934 8.209 626 HD13 ILE 80 HD13 ILE 80 -3.960 -8.608 9.291 627 H ALA 81 H ALA 81 1.681 -8.471 10.141 628 HA ALA 81 HA ALA 81 3.153 -9.877 8.030 629 HB1 ALA 81 HB1 ALA 81 3.552 -7.097 9.156 630 HB2 ALA 81 HB2 ALA 81 2.615 -7.485 7.714 631 HB3 ALA 81 HB3 ALA 81 4.355 -7.772 7.739 632 H ALA 82 H ALA 82 3.122 -10.084 11.249 633 HA ALA 82 HA ALA 82 4.689 -10.507 12.905 634 HB1 ALA 82 HB1 ALA 82 5.676 -12.472 12.406 635 HB2 ALA 82 HB2 ALA 82 6.590 -11.764 11.072 636 HB3 ALA 82 HB3 ALA 82 4.931 -12.303 10.816 637 HA PRO 83 HA PRO 83 8.169 -7.875 13.149 638 HB2 PRO 83 HB2 PRO 83 10.175 -10.045 13.294 639 HB3 PRO 83 HB3 PRO 83 9.752 -8.814 14.496 640 HG2 PRO 83 HG2 PRO 83 9.078 -11.391 14.786 641 HG3 PRO 83 HG3 PRO 83 8.070 -10.066 15.392 642 HD2 PRO 83 HD2 PRO 83 7.677 -11.781 12.973 643 HD3 PRO 83 HD3 PRO 83 6.464 -11.081 14.071 644 H ALA 84 H ALA 84 7.512 -9.215 10.446 645 HA ALA 84 HA ALA 84 9.939 -9.377 8.961 646 HB1 ALA 84 HB1 ALA 84 7.340 -8.624 7.678 647 HB2 ALA 84 HB2 ALA 84 7.508 -10.222 8.403 648 HB3 ALA 84 HB3 ALA 84 8.594 -9.724 7.106 649 H GLU 85 H GLU 85 10.009 -7.847 6.876 650 HA GLU 85 HA GLU 85 10.437 -5.170 7.946 651 HB2 GLU 85 HB2 GLU 85 11.058 -6.389 5.244 652 HB3 GLU 85 HB3 GLU 85 11.488 -4.748 5.727 653 HG2 GLU 85 HG2 GLU 85 12.892 -5.570 7.516 654 HG3 GLU 85 HG3 GLU 85 12.345 -7.223 7.247 655 H ILE 86 H ILE 86 8.773 -3.796 7.963 656 HA ILE 86 HA ILE 86 6.904 -3.845 5.670 657 HB ILE 86 HB ILE 86 6.146 -2.641 8.300 658 HG12 ILE 86 HG12 ILE 86 5.994 -5.602 7.652 659 HG13 ILE 86 HG13 ILE 86 7.113 -4.884 8.811 660 HG21 ILE 86 HG21 ILE 86 4.298 -4.353 6.774 661 HG22 ILE 86 HG22 ILE 86 4.889 -2.955 5.873 662 HG23 ILE 86 HG23 ILE 86 4.057 -2.727 7.411 663 HD11 ILE 86 HD11 ILE 86 5.132 -3.945 10.041 664 HD12 ILE 86 HD12 ILE 86 5.193 -5.708 10.037 665 HD13 ILE 86 HD13 ILE 86 4.087 -4.861 8.954 666 H PHE 87 H PHE 87 6.475 -1.982 4.621 667 HA PHE 87 HA PHE 87 7.849 0.460 5.573 668 HB2 PHE 87 HB2 PHE 87 7.392 -0.454 2.719 669 HB3 PHE 87 HB3 PHE 87 8.128 1.076 3.196 670 HD1 PHE 87 HD1 PHE 87 10.132 0.850 4.936 671 HD2 PHE 87 HD2 PHE 87 8.803 -2.272 2.300 672 HE1 PHE 87 HE1 PHE 87 12.336 -0.268 5.145 673 HE2 PHE 87 HE2 PHE 87 11.007 -3.388 2.510 674 HZ PHE 87 HZ PHE 87 12.774 -2.387 3.933 675 H LEU 88 H LEU 88 6.810 2.480 4.475 676 HA LEU 88 HA LEU 88 3.895 2.106 4.211 677 HB2 LEU 88 HB2 LEU 88 4.988 4.393 5.829 678 HB3 LEU 88 HB3 LEU 88 3.351 3.746 5.795 679 HG LEU 88 HG LEU 88 5.680 2.080 6.755 680 HD11 LEU 88 HD11 LEU 88 4.294 2.892 9.012 681 HD12 LEU 88 HD12 LEU 88 4.389 4.369 8.054 682 HD13 LEU 88 HD13 LEU 88 5.864 3.511 8.500 683 HD21 LEU 88 HD21 LEU 88 3.971 0.737 7.754 684 HD22 LEU 88 HD22 LEU 88 3.403 1.093 6.123 685 HD23 LEU 88 HD23 LEU 88 2.748 1.981 7.498 686 H LEU 89 H LEU 89 3.017 3.238 2.603 687 HA LEU 89 HA LEU 89 4.717 4.910 0.957 688 HB2 LEU 89 HB2 LEU 89 2.833 3.221 0.234 689 HB3 LEU 89 HB3 LEU 89 1.769 4.599 0.511 690 HG LEU 89 HG LEU 89 2.394 4.711 -1.790 691 HD11 LEU 89 HD11 LEU 89 4.341 6.573 -0.417 692 HD12 LEU 89 HD12 LEU 89 2.598 6.835 -0.396 693 HD13 LEU 89 HD13 LEU 89 3.469 6.836 -1.927 694 HD21 LEU 89 HD21 LEU 89 4.480 4.194 -2.642 695 HD22 LEU 89 HD22 LEU 89 4.517 3.208 -1.181 696 HD23 LEU 89 HD23 LEU 89 5.324 4.776 -1.207 697 H GLU 90 H GLU 90 5.105 6.663 2.404 698 HA GLU 90 HA GLU 90 3.152 8.187 3.703 699 HB2 GLU 90 HB2 GLU 90 5.711 8.303 3.913 700 HB3 GLU 90 HB3 GLU 90 5.652 9.373 2.511 701 HG2 GLU 90 HG2 GLU 90 4.010 10.807 3.749 702 HG3 GLU 90 HG3 GLU 90 4.256 9.790 5.167 703 H ASP 91 H ASP 91 1.531 9.352 2.918 704 HA ASP 91 HA ASP 91 0.590 11.094 1.642 705 HB2 ASP 91 HB2 ASP 91 3.037 11.447 0.777 706 HB3 ASP 91 HB3 ASP 91 2.470 10.540 -0.624 707 H GLY 92 H GLY 92 1.500 7.940 0.471 708 HA2 GLY 92 HA2 GLY 92 0.152 6.322 -0.505 709 HA3 GLY 92 HA3 GLY 92 -1.172 7.483 -0.524 710 H ILE 93 H ILE 93 -1.718 6.860 -2.668 711 HA ILE 93 HA ILE 93 0.062 6.874 -4.851 712 HB ILE 93 HB ILE 93 -2.337 5.948 -4.723 713 HG12 ILE 93 HG12 ILE 93 -1.700 7.619 -7.166 714 HG13 ILE 93 HG13 ILE 93 -0.821 6.141 -6.775 715 HG21 ILE 93 HG21 ILE 93 -4.115 7.366 -4.849 716 HG22 ILE 93 HG22 ILE 93 -3.276 8.476 -5.934 717 HG23 ILE 93 HG23 ILE 93 -2.983 8.550 -4.197 718 HD11 ILE 93 HD11 ILE 93 -2.592 4.788 -7.294 719 HD12 ILE 93 HD12 ILE 93 -3.057 6.160 -8.300 720 HD13 ILE 93 HD13 ILE 93 -3.783 5.948 -6.706 721 H ASP 94 H ASP 94 -1.403 9.432 -3.067 722 HA ASP 94 HA ASP 94 -1.580 11.506 -4.887 723 HB2 ASP 94 HB2 ASP 94 -1.631 11.256 -2.103 724 HB3 ASP 94 HB3 ASP 94 -0.323 12.393 -2.424 725 H GLY 95 H GLY 95 1.277 10.764 -2.869 726 HA2 GLY 95 HA2 GLY 95 3.035 12.533 -4.184 727 HA3 GLY 95 HA3 GLY 95 3.521 11.148 -3.210 728 H TRP 96 H TRP 96 2.273 9.119 -4.714 729 HA TRP 96 HA TRP 96 4.223 8.451 -6.582 730 HB2 TRP 96 HB2 TRP 96 2.629 6.840 -5.596 731 HB3 TRP 96 HB3 TRP 96 1.326 7.564 -6.537 732 HD1 TRP 96 HD1 TRP 96 1.682 7.484 -9.285 733 HE1 TRP 96 HE1 TRP 96 2.711 5.602 -10.716 734 HE3 TRP 96 HE3 TRP 96 4.282 4.960 -5.687 735 HZ2 TRP 96 HZ2 TRP 96 4.411 3.326 -10.378 736 HZ3 TRP 96 HZ3 TRP 96 5.596 2.941 -6.269 737 HH2 TRP 96 HH2 TRP 96 5.663 2.121 -8.608 738 H LYS 97 H LYS 97 1.215 10.237 -6.979 739 HA LYS 97 HA LYS 97 1.423 10.344 -9.863 740 HB2 LYS 97 HB2 LYS 97 -0.376 11.736 -7.872 741 HB3 LYS 97 HB3 LYS 97 -0.478 11.987 -9.614 742 HG2 LYS 97 HG2 LYS 97 -0.404 9.152 -8.855 743 HG3 LYS 97 HG3 LYS 97 -1.807 10.010 -8.217 744 HD2 LYS 97 HD2 LYS 97 -0.983 10.317 -11.101 745 HD3 LYS 97 HD3 LYS 97 -2.005 8.976 -10.584 746 HE2 LYS 97 HE2 LYS 97 -3.814 10.313 -10.290 747 HE3 LYS 97 HE3 LYS 97 -2.859 11.589 -9.535 748 HZ1 LYS 97 HZ1 LYS 97 -2.149 12.351 -11.660 749 HZ2 LYS 97 HZ2 LYS 97 -3.841 12.200 -11.714 750 HZ3 LYS 97 HZ3 LYS 97 -2.856 11.026 -12.448 751 H ARG 98 H ARG 98 1.724 12.697 -7.203 752 HA ARG 98 HA ARG 98 2.390 14.953 -8.654 753 HB2 ARG 98 HB2 ARG 98 1.991 14.964 -6.228 754 HB3 ARG 98 HB3 ARG 98 3.514 14.113 -5.973 755 HG2 ARG 98 HG2 ARG 98 4.741 15.986 -7.008 756 HG3 ARG 98 HG3 ARG 98 3.220 16.838 -7.271 757 HD2 ARG 98 HD2 ARG 98 3.791 17.791 -5.262 758 HD3 ARG 98 HD3 ARG 98 2.961 16.365 -4.646 759 HE ARG 98 HE ARG 98 5.867 16.796 -4.703 760 HH11 ARG 98 HH21 ARG 98 3.121 14.803 -4.013 761 HH12 ARG 98 HH22 ARG 98 3.990 13.731 -2.966 762 HH21 ARG 98 HH11 ARG 98 7.011 15.391 -3.331 763 HH22 ARG 98 HH12 ARG 98 6.190 14.064 -2.581 764 H ALA 99 H ALA 99 4.222 12.078 -8.240 765 HA ALA 99 HA ALA 99 6.704 13.418 -9.082 766 HB1 ALA 99 HB1 ALA 99 7.846 11.773 -8.022 767 HB2 ALA 99 HB2 ALA 99 6.749 10.511 -8.583 768 HB3 ALA 99 HB3 ALA 99 6.317 11.499 -7.187 769 H GLY 100 H GLY 100 4.153 11.411 -10.240 770 HA2 GLY 100 HA2 GLY 100 3.680 10.771 -12.420 771 HA3 GLY 100 HA3 GLY 100 5.204 11.496 -12.925 772 H LEU 101 H LEU 101 3.899 8.695 -11.168 773 HA LEU 101 HA LEU 101 6.157 7.095 -12.209 774 HB2 LEU 101 HB2 LEU 101 4.704 6.984 -9.569 775 HB3 LEU 101 HB3 LEU 101 5.646 5.621 -10.168 776 HG LEU 101 HG LEU 101 6.892 8.346 -10.152 777 HD11 LEU 101 HD11 LEU 101 7.779 7.407 -7.800 778 HD12 LEU 101 HD12 LEU 101 6.171 6.686 -7.781 779 HD13 LEU 101 HD13 LEU 101 6.351 8.435 -7.915 780 HD21 LEU 101 HD21 LEU 101 8.914 6.928 -9.698 781 HD22 LEU 101 HD22 LEU 101 8.101 6.514 -11.208 782 HD23 LEU 101 HD23 LEU 101 7.882 5.501 -9.780 783 HA PRO 102 HA PRO 102 3.744 4.298 -14.547 784 HB2 PRO 102 HB2 PRO 102 4.345 2.349 -12.343 785 HB3 PRO 102 HB3 PRO 102 4.438 2.121 -14.100 786 HG2 PRO 102 HG2 PRO 102 6.597 2.643 -12.532 787 HG3 PRO 102 HG3 PRO 102 6.493 3.067 -14.247 788 HD2 PRO 102 HD2 PRO 102 6.596 4.859 -11.965 789 HD3 PRO 102 HD3 PRO 102 6.604 5.272 -13.692 790 H VAL 103 H VAL 103 1.592 4.536 -14.590 791 HA VAL 103 HA VAL 103 -0.016 3.600 -12.319 792 HB VAL 103 HB VAL 103 0.104 5.933 -11.837 793 HG11 VAL 103 HG11 VAL 103 -0.540 6.399 -14.765 794 HG12 VAL 103 HG12 VAL 103 1.042 6.627 -14.020 795 HG13 VAL 103 HG13 VAL 103 -0.312 7.653 -13.546 796 HG21 VAL 103 HG21 VAL 103 -2.170 6.527 -11.921 797 HG22 VAL 103 HG22 VAL 103 -2.219 4.769 -12.057 798 HG23 VAL 103 HG23 VAL 103 -2.406 5.772 -13.496 799 H ALA 104 H ALA 104 -2.261 3.156 -12.925 800 HA ALA 104 HA ALA 104 -2.798 3.135 -15.813 801 HB1 ALA 104 HB1 ALA 104 -2.864 0.678 -14.048 802 HB2 ALA 104 HB2 ALA 104 -1.791 0.965 -15.418 803 HB3 ALA 104 HB3 ALA 104 -3.522 0.754 -15.682 804 H VAL 105 H VAL 105 -4.832 3.677 -16.254 805 HA VAL 105 HA VAL 105 -6.743 3.877 -14.030 806 HB VAL 105 HB VAL 105 -6.879 5.002 -16.838 807 HG11 VAL 105 HG11 VAL 105 -8.617 6.484 -15.518 808 HG12 VAL 105 HG12 VAL 105 -8.692 5.084 -14.448 809 HG13 VAL 105 HG13 VAL 105 -9.102 4.913 -16.155 810 HG21 VAL 105 HG21 VAL 105 -6.668 6.839 -14.560 811 HG22 VAL 105 HG22 VAL 105 -5.767 6.829 -16.076 812 HG23 VAL 105 HG23 VAL 105 -5.253 5.803 -14.737 813 H ASN 106 H ASN 106 -8.718 2.847 -14.045 814 HA ASN 106 HA ASN 106 -8.905 0.545 -15.811 815 HB2 ASN 106 HB2 ASN 106 -9.583 0.946 -13.184 816 HB3 ASN 106 HB3 ASN 106 -11.147 1.064 -13.989 817 HD21 ASN 106 HD21 ASN 106 -8.251 -0.992 -14.650 818 HD22 ASN 106 HD22 ASN 106 -9.111 -2.456 -14.616 819 H LYS 107 H LYS 107 -9.700 0.925 -17.789 820 HA LYS 107 HA LYS 107 -12.125 2.609 -18.009 821 HB2 LYS 107 HB2 LYS 107 -10.096 3.604 -19.081 822 HB3 LYS 107 HB3 LYS 107 -10.011 2.192 -20.135 823 HG2 LYS 107 HG2 LYS 107 -12.082 2.706 -21.178 824 HG3 LYS 107 HG3 LYS 107 -12.519 3.860 -19.917 825 HD2 LYS 107 HD2 LYS 107 -9.976 4.535 -21.178 826 HD3 LYS 107 HD3 LYS 107 -11.296 4.477 -22.345 827 HE2 LYS 107 HE2 LYS 107 -12.610 6.029 -21.015 828 HE3 LYS 107 HE3 LYS 107 -11.406 6.000 -19.726 829 HZ1 LYS 107 HZ1 LYS 107 -11.295 7.292 -22.351 830 HZ2 LYS 107 HZ2 LYS 107 -9.843 6.709 -21.687 831 HZ3 LYS 107 HZ3 LYS 107 -10.765 7.861 -20.843
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