NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473180 | 2jmk | 15039 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.857 0.758 -1.162 3 HB2 MET 1 1HB MET 1 3.338 -1.327 -2.367 4 HB3 MET 1 2HB MET 1 3.427 -1.554 -0.625 5 HG2 MET 1 1HG MET 1 1.177 -2.536 -0.656 6 HG3 MET 1 2HG MET 1 1.137 -2.349 -2.407 7 HE1 MET 1 3HE MET 1 1.610 -6.096 -2.608 8 HE2 MET 1 1HE MET 1 0.403 -5.025 -1.896 9 HE3 MET 1 2HE MET 1 1.074 -4.663 -3.486 10 H THR 2 H THR 2 -0.033 1.376 -1.255 11 HA THR 2 HA THR 2 -0.728 0.737 -4.022 12 HB THR 2 HB THR 2 -2.363 2.216 -1.952 13 HG1 THR 2 HG1 THR 2 -2.117 -0.514 -2.620 14 HG21 THR 2 3HG2 THR 2 -4.222 1.410 -3.561 15 HG22 THR 2 1HG2 THR 2 -2.917 1.239 -4.734 16 HG23 THR 2 2HG2 THR 2 -3.260 2.815 -4.019 17 H LEU 3 H LEU 3 -0.819 2.217 -5.639 18 HA LEU 3 HA LEU 3 -0.034 4.978 -4.971 19 HB2 LEU 3 1HB LEU 3 0.940 3.098 -7.038 20 HB3 LEU 3 2HB LEU 3 0.761 4.783 -7.519 21 HG LEU 3 HG LEU 3 2.329 4.050 -5.072 22 HD11 LEU 3 1HD1 LEU 3 3.166 2.705 -6.989 23 HD12 LEU 3 2HD1 LEU 3 4.333 3.872 -6.369 24 HD13 LEU 3 3HD1 LEU 3 3.457 4.210 -7.861 25 HD21 LEU 3 3HD2 LEU 3 1.574 6.434 -5.841 26 HD22 LEU 3 1HD2 LEU 3 2.919 6.274 -6.971 27 HD23 LEU 3 2HD2 LEU 3 3.209 6.167 -5.234 28 H CYS 4 H CYS 4 -1.811 6.187 -5.149 29 HA CYS 4 HA CYS 4 -3.653 5.677 -7.381 30 HB2 CYS 4 1HB CYS 4 -4.033 7.145 -4.768 31 HB3 CYS 4 2HB CYS 4 -5.224 7.149 -6.063 32 HG CYS 4 HG CYS 4 -5.909 5.364 -3.929 33 H ALA 5 H ALA 5 -4.512 7.488 -8.562 34 HA ALA 5 HA ALA 5 -2.694 9.810 -8.596 35 HB1 ALA 5 3HB ALA 5 -2.380 9.630 -10.805 36 HB2 ALA 5 1HB ALA 5 -2.945 7.971 -10.598 37 HB3 ALA 5 2HB ALA 5 -4.071 9.229 -11.110 38 H MET 6 H MET 6 -3.602 11.839 -9.146 39 HA MET 6 HA MET 6 -6.494 11.990 -8.628 40 HB2 MET 6 1HB MET 6 -4.259 13.956 -8.145 41 HB3 MET 6 2HB MET 6 -5.955 14.416 -8.065 42 HG2 MET 6 1HG MET 6 -4.919 12.130 -6.442 43 HG3 MET 6 2HG MET 6 -4.711 13.793 -5.898 44 HE1 MET 6 3HE MET 6 -7.694 10.897 -5.374 45 HE2 MET 6 1HE MET 6 -6.001 11.154 -4.948 46 HE3 MET 6 2HE MET 6 -7.278 11.774 -3.901 47 H TYR 7 H TYR 7 -7.586 12.113 -10.483 48 HA TYR 7 HA TYR 7 -6.470 13.669 -12.703 49 HB2 TYR 7 1HB TYR 7 -7.427 11.220 -12.856 50 HB3 TYR 7 2HB TYR 7 -8.976 12.051 -12.944 51 HD1 TYR 7 HD1 TYR 7 -8.680 14.275 -14.619 52 HD2 TYR 7 HD2 TYR 7 -6.684 10.529 -14.919 53 HE1 TYR 7 HE1 TYR 7 -8.344 14.654 -17.026 54 HE2 TYR 7 HE2 TYR 7 -6.342 10.898 -17.327 55 HH TYR 7 HH TYR 7 -7.527 12.284 -19.163 56 H ASN 8 H ASN 8 -7.006 15.757 -12.563 57 HA ASN 8 HA ASN 8 -9.633 16.532 -11.565 58 HB2 ASN 8 1HB ASN 8 -7.564 17.709 -10.795 59 HB3 ASN 8 2HB ASN 8 -7.341 18.302 -12.438 60 HD21 ASN 8 1HD2 ASN 8 -7.503 20.438 -11.758 61 HD22 ASN 8 2HD2 ASN 8 -9.015 21.146 -11.313 62 H ILE 9 H ILE 9 -11.283 16.897 -12.880 63 HA ILE 9 HA ILE 9 -10.744 17.833 -15.615 64 HB ILE 9 HB ILE 9 -11.242 15.431 -15.719 65 HG12 ILE 9 1HG1 ILE 9 -13.480 17.181 -16.763 66 HG13 ILE 9 2HG1 ILE 9 -11.940 16.892 -17.565 67 HG21 ILE 9 1HG2 ILE 9 -13.356 14.531 -15.024 68 HG22 ILE 9 2HG2 ILE 9 -12.621 15.363 -13.654 69 HG23 ILE 9 3HG2 ILE 9 -13.931 16.130 -14.552 70 HD11 ILE 9 3HD1 ILE 9 -13.127 14.379 -17.004 71 HD12 ILE 9 1HD1 ILE 9 -14.339 15.412 -17.761 72 HD13 ILE 9 2HD1 ILE 9 -12.797 15.123 -18.568 73 H SER 10 H SER 10 -11.923 19.538 -16.211 74 HA SER 10 HA SER 10 -14.424 20.108 -14.778 75 HB2 SER 10 1HB SER 10 -12.539 21.468 -13.832 76 HB3 SER 10 2HB SER 10 -12.342 22.208 -15.421 77 HG SER 10 HG SER 10 -14.042 23.401 -15.070 78 H MET 11 H MET 11 -15.602 19.426 -16.578 79 HA MET 11 HA MET 11 -15.184 20.122 -19.228 80 HB2 MET 11 1HB MET 11 -16.965 18.560 -18.036 81 HB3 MET 11 2HB MET 11 -17.986 19.981 -18.215 82 HG2 MET 11 1HG MET 11 -18.098 19.794 -20.469 83 HG3 MET 11 2HG MET 11 -16.489 19.088 -20.602 84 HE1 MET 11 3HE MET 11 -20.340 18.297 -20.515 85 HE2 MET 11 1HE MET 11 -19.356 18.441 -21.972 86 HE3 MET 11 2HE MET 11 -20.038 16.878 -21.521 87 H ALA 12 H ALA 12 -16.851 21.519 -20.495 88 HA ALA 12 HA ALA 12 -16.337 24.195 -19.991 89 HB1 ALA 12 3HB ALA 12 -18.858 23.709 -21.402 90 HB2 ALA 12 1HB ALA 12 -17.408 24.566 -21.925 91 HB3 ALA 12 2HB ALA 12 -17.480 22.807 -22.034 92 H GLY 13 H GLY 13 -16.827 25.061 -18.042 93 HA2 GLY 13 1HA GLY 13 -18.094 25.913 -16.329 94 HA3 GLY 13 2HA GLY 13 -19.418 25.939 -17.485 95 H SER 14 H SER 14 -17.595 23.349 -15.846 96 HA SER 14 HA SER 14 -20.150 22.351 -14.782 97 HB2 SER 14 1HB SER 14 -18.106 20.903 -16.406 98 HB3 SER 14 2HB SER 14 -18.929 20.016 -15.123 99 HG SER 14 HG SER 14 -20.444 21.550 -16.917 100 H HIS 15 H HIS 15 -17.606 23.820 -13.809 101 HA HIS 15 HA HIS 15 -16.413 23.946 -11.876 102 HB2 HIS 15 1HB HIS 15 -18.759 22.304 -11.174 103 HB3 HIS 15 2HB HIS 15 -17.380 22.129 -10.091 104 HD1 HIS 15 HD1 HIS 15 -16.389 25.039 -10.042 105 HD2 HIS 15 HD2 HIS 15 -20.378 23.927 -9.708 106 HE1 HIS 15 HE1 HIS 15 -17.524 26.953 -8.869 107 HA PRO 16 HA PRO 16 -13.273 20.886 -11.970 108 HB2 PRO 16 1HB PRO 16 -12.305 20.954 -9.435 109 HB3 PRO 16 2HB PRO 16 -12.030 22.251 -10.603 110 HG2 PRO 16 1HG PRO 16 -14.041 22.090 -8.393 111 HG3 PRO 16 2HG PRO 16 -13.028 23.459 -8.885 112 HD2 PRO 16 1HD PRO 16 -15.633 23.246 -9.592 113 HD3 PRO 16 2HD PRO 16 -14.423 24.025 -10.631 114 H THR 17 H THR 17 -13.191 18.724 -11.867 115 HA THR 17 HA THR 17 -14.761 17.367 -9.772 116 HB THR 17 HB THR 17 -14.418 16.519 -12.654 117 HG1 THR 17 HG1 THR 17 -16.623 16.938 -12.779 118 HG21 THR 17 3HG2 THR 17 -15.334 15.074 -10.233 119 HG22 THR 17 1HG2 THR 17 -14.547 14.461 -11.687 120 HG23 THR 17 2HG2 THR 17 -16.270 14.839 -11.709 121 H THR 18 H THR 18 -13.443 16.360 -8.414 122 HA THR 18 HA THR 18 -10.783 15.557 -9.231 123 HB THR 18 HB THR 18 -12.054 15.054 -6.542 124 HG1 THR 18 HG1 THR 18 -10.756 17.393 -7.524 125 HG21 THR 18 3HG2 THR 18 -9.357 15.709 -6.288 126 HG22 THR 18 1HG2 THR 18 -9.433 14.656 -7.700 127 HG23 THR 18 2HG2 THR 18 -10.072 14.103 -6.152 128 H ILE 19 H ILE 19 -10.647 13.729 -10.379 129 HA ILE 19 HA ILE 19 -12.281 11.425 -9.556 130 HB ILE 19 HB ILE 19 -10.772 11.697 -12.151 131 HG12 ILE 19 1HG1 ILE 19 -13.673 12.358 -11.595 132 HG13 ILE 19 2HG1 ILE 19 -12.408 13.529 -11.954 133 HG21 ILE 19 1HG2 ILE 19 -11.689 9.461 -11.103 134 HG22 ILE 19 2HG2 ILE 19 -13.213 10.041 -11.772 135 HG23 ILE 19 3HG2 ILE 19 -11.827 9.785 -12.831 136 HD11 ILE 19 3HD1 ILE 19 -12.173 12.688 -14.174 137 HD12 ILE 19 1HD1 ILE 19 -13.257 11.341 -13.832 138 HD13 ILE 19 2HD1 ILE 19 -13.884 12.989 -13.872 139 H CYS 20 H CYS 20 -11.217 10.141 -8.196 140 HA CYS 20 HA CYS 20 -8.333 9.921 -8.280 141 HB2 CYS 20 1HB CYS 20 -9.409 10.012 -6.108 142 HB3 CYS 20 2HB CYS 20 -10.401 8.613 -6.503 143 HG CYS 20 HG CYS 20 -8.609 7.590 -4.756 144 H VAL 21 H VAL 21 -7.302 8.521 -9.526 145 HA VAL 21 HA VAL 21 -8.530 5.905 -10.051 146 HB VAL 21 HB VAL 21 -7.153 7.565 -12.166 147 HG11 VAL 21 1HG1 VAL 21 -8.700 5.434 -13.221 148 HG12 VAL 21 2HG1 VAL 21 -6.953 5.670 -13.304 149 HG13 VAL 21 3HG1 VAL 21 -7.662 4.778 -11.957 150 HG21 VAL 21 3HG2 VAL 21 -9.371 7.738 -13.207 151 HG22 VAL 21 1HG2 VAL 21 -10.080 6.924 -11.811 152 HG23 VAL 21 2HG2 VAL 21 -9.328 8.508 -11.621 153 H VAL 22 H VAL 22 -7.174 4.228 -9.836 154 HA VAL 22 HA VAL 22 -4.664 4.492 -8.663 155 HB VAL 22 HB VAL 22 -5.554 2.122 -10.306 156 HG11 VAL 22 1HG1 VAL 22 -4.217 1.207 -8.095 157 HG12 VAL 22 2HG1 VAL 22 -3.522 1.400 -9.706 158 HG13 VAL 22 3HG1 VAL 22 -3.326 2.673 -8.501 159 HG21 VAL 22 3HG2 VAL 22 -6.174 1.456 -7.760 160 HG22 VAL 22 1HG2 VAL 22 -6.543 3.180 -7.744 161 HG23 VAL 22 2HG2 VAL 22 -7.329 2.121 -8.915 162 H MET 23 H MET 23 -2.553 4.195 -9.436 163 HA MET 23 HA MET 23 -1.860 5.508 -11.767 164 HB2 MET 23 1HB MET 23 0.367 4.727 -11.422 165 HB3 MET 23 2HB MET 23 -0.348 4.963 -9.832 166 HG2 MET 23 1HG MET 23 -0.719 2.590 -9.603 167 HG3 MET 23 2HG MET 23 -0.124 2.313 -11.239 168 HE1 MET 23 3HE MET 23 2.929 0.765 -9.689 169 HE2 MET 23 1HE MET 23 1.215 0.444 -9.950 170 HE3 MET 23 2HE MET 23 2.208 1.057 -11.272 171 H ASP 24 H ASP 24 -2.609 2.125 -11.260 172 HA ASP 24 HA ASP 24 -1.650 1.175 -13.754 173 HB2 ASP 24 1HB ASP 24 -2.588 -0.872 -13.178 174 HB3 ASP 24 2HB ASP 24 -2.322 -0.136 -11.600 175 H ARG 25 H ARG 25 -4.667 2.604 -12.705 176 HA ARG 25 HA ARG 25 -5.869 2.122 -15.332 177 HB2 ARG 25 1HB ARG 25 -6.927 2.835 -12.636 178 HB3 ARG 25 2HB ARG 25 -7.838 3.356 -14.047 179 HG2 ARG 25 1HG ARG 25 -6.990 0.530 -14.010 180 HG3 ARG 25 2HG ARG 25 -8.215 1.005 -12.831 181 HD2 ARG 25 1HD ARG 25 -9.393 2.119 -14.834 182 HD3 ARG 25 2HD ARG 25 -8.331 1.119 -15.825 183 HE ARG 25 HE ARG 25 -9.496 -0.598 -14.019 184 HH11 ARG 25 1HH1 ARG 25 -10.597 1.594 -16.490 185 HH12 ARG 25 2HH1 ARG 25 -12.016 0.671 -16.859 186 HH21 ARG 25 1HH2 ARG 25 -11.360 -1.822 -14.496 187 HH22 ARG 25 2HH2 ARG 25 -12.450 -1.271 -15.724 188 H PHE 26 H PHE 26 -3.738 4.200 -14.374 189 HA PHE 26 HA PHE 26 -4.901 6.754 -14.749 190 HB2 PHE 26 1HB PHE 26 -2.762 6.483 -13.605 191 HB3 PHE 26 2HB PHE 26 -2.032 5.851 -15.077 192 HD1 PHE 26 HD1 PHE 26 -1.601 7.334 -16.984 193 HD2 PHE 26 HD2 PHE 26 -3.083 8.821 -13.281 194 HE1 PHE 26 HE1 PHE 26 -0.964 9.616 -17.649 195 HE2 PHE 26 HE2 PHE 26 -2.450 11.105 -13.941 196 HZ PHE 26 HZ PHE 26 -1.390 11.505 -16.127 197 H LEU 27 H LEU 27 -2.878 4.782 -16.926 198 HA LEU 27 HA LEU 27 -3.029 6.421 -19.163 199 HB2 LEU 27 1HB LEU 27 -1.499 4.525 -18.956 200 HB3 LEU 27 2HB LEU 27 -2.861 3.412 -19.064 201 HG LEU 27 HG LEU 27 -3.231 3.977 -21.357 202 HD11 LEU 27 1HD1 LEU 27 -1.702 6.345 -20.655 203 HD12 LEU 27 2HD1 LEU 27 -2.856 6.086 -21.963 204 HD13 LEU 27 3HD1 LEU 27 -1.170 5.613 -22.169 205 HD21 LEU 27 3HD2 LEU 27 -1.056 3.344 -22.356 206 HD22 LEU 27 1HD2 LEU 27 -1.519 2.321 -20.996 207 HD23 LEU 27 2HD2 LEU 27 -0.299 3.575 -20.779 208 H GLU 28 H GLU 28 -5.159 3.753 -18.189 209 HA GLU 28 HA GLU 28 -6.839 3.795 -20.432 210 HB2 GLU 28 1HB GLU 28 -6.773 1.987 -18.721 211 HB3 GLU 28 2HB GLU 28 -7.592 3.063 -17.598 212 HG2 GLU 28 1HG GLU 28 -8.809 2.456 -20.256 213 HG3 GLU 28 2HG GLU 28 -8.958 1.313 -18.922 214 H SER 29 H SER 29 -7.206 5.390 -17.272 215 HA SER 29 HA SER 29 -9.639 6.638 -17.704 216 HB2 SER 29 1HB SER 29 -7.244 7.420 -16.053 217 HB3 SER 29 2HB SER 29 -8.700 8.414 -16.086 218 HG SER 29 HG SER 29 -8.550 5.677 -15.342 219 H PHE 30 H PHE 30 -6.380 7.829 -18.457 220 HA PHE 30 HA PHE 30 -7.175 10.326 -19.482 221 HB2 PHE 30 1HB PHE 30 -4.811 9.447 -18.839 222 HB3 PHE 30 2HB PHE 30 -4.756 8.866 -20.500 223 HD1 PHE 30 HD2 PHE 30 -4.779 10.449 -22.369 224 HD2 PHE 30 HD1 PHE 30 -4.645 11.771 -18.326 225 HE1 PHE 30 HE2 PHE 30 -4.068 12.680 -23.125 226 HE2 PHE 30 HE1 PHE 30 -3.935 14.004 -19.075 227 HZ PHE 30 HZ PHE 30 -3.644 14.460 -21.478 228 H SER 31 H SER 31 -6.658 7.193 -21.040 229 HA SER 31 HA SER 31 -6.938 7.991 -23.697 230 HB2 SER 31 1HB SER 31 -7.126 5.727 -24.225 231 HB3 SER 31 2HB SER 31 -6.288 5.679 -22.674 232 HG SER 31 HG SER 31 -7.985 4.218 -22.629 233 H GLU 32 H GLU 32 -9.396 6.976 -21.352 234 HA GLU 32 HA GLU 32 -11.565 7.252 -23.197 235 HB2 GLU 32 1HB GLU 32 -11.493 5.776 -21.113 236 HB3 GLU 32 2HB GLU 32 -11.788 7.243 -20.192 237 HG2 GLU 32 1HG GLU 32 -13.920 6.503 -20.425 238 HG3 GLU 32 2HG GLU 32 -13.794 7.494 -21.877 239 H LEU 33 H LEU 33 -9.958 9.334 -20.909 240 HA LEU 33 HA LEU 33 -11.941 11.322 -20.674 241 HB2 LEU 33 1HB LEU 33 -9.715 10.929 -19.366 242 HB3 LEU 33 2HB LEU 33 -9.028 11.978 -20.604 243 HG LEU 33 HG LEU 33 -9.575 13.203 -18.555 244 HD11 LEU 33 1HD1 LEU 33 -11.614 14.260 -20.391 245 HD12 LEU 33 2HD1 LEU 33 -10.021 13.990 -21.098 246 HD13 LEU 33 3HD1 LEU 33 -10.194 15.040 -19.692 247 HD21 LEU 33 3HD2 LEU 33 -11.562 13.126 -17.500 248 HD22 LEU 33 1HD2 LEU 33 -11.733 11.590 -18.350 249 HD23 LEU 33 2HD2 LEU 33 -12.479 13.048 -19.006 250 H TYR 34 H TYR 34 -9.195 10.978 -22.893 251 HA TYR 34 HA TYR 34 -9.476 13.412 -24.236 252 HB2 TYR 34 1HB TYR 34 -7.482 12.141 -24.564 253 HB3 TYR 34 2HB TYR 34 -8.386 10.747 -25.143 254 HD1 TYR 34 HD1 TYR 34 -8.274 14.380 -26.041 255 HD2 TYR 34 HD2 TYR 34 -8.049 10.349 -27.382 256 HE1 TYR 34 HE1 TYR 34 -8.001 15.172 -28.353 257 HE2 TYR 34 HE2 TYR 34 -7.775 11.129 -29.699 258 HH TYR 34 HH TYR 34 -8.305 13.142 -31.038 259 H ASP 35 H ASP 35 -11.383 10.558 -24.351 260 HA ASP 35 HA ASP 35 -12.585 11.188 -26.916 261 HB2 ASP 35 1HB ASP 35 -12.600 8.912 -25.057 262 HB3 ASP 35 2HB ASP 35 -14.154 9.224 -25.824 263 H ILE 36 H ILE 36 -13.844 10.732 -23.607 264 HA ILE 36 HA ILE 36 -16.374 11.808 -24.073 265 HB ILE 36 HB ILE 36 -15.913 10.535 -22.067 266 HG12 ILE 36 1HG1 ILE 36 -16.628 13.386 -21.350 267 HG13 ILE 36 2HG1 ILE 36 -17.745 12.212 -22.038 268 HG21 ILE 36 1HG2 ILE 36 -14.493 11.253 -20.317 269 HG22 ILE 36 2HG2 ILE 36 -13.575 11.449 -21.809 270 HG23 ILE 36 3HG2 ILE 36 -14.304 12.854 -21.032 271 HD11 ILE 36 3HD1 ILE 36 -16.549 12.315 -19.309 272 HD12 ILE 36 1HD1 ILE 36 -18.233 12.113 -19.793 273 HD13 ILE 36 2HD1 ILE 36 -17.095 10.778 -19.980 274 H ILE 37 H ILE 37 -13.357 13.371 -23.132 275 HA ILE 37 HA ILE 37 -14.329 15.898 -22.482 276 HB ILE 37 HB ILE 37 -11.963 15.086 -22.192 277 HG12 ILE 37 1HG1 ILE 37 -11.153 17.509 -23.232 278 HG13 ILE 37 2HG1 ILE 37 -12.883 17.744 -23.010 279 HG21 ILE 37 1HG2 ILE 37 -11.519 16.036 -25.004 280 HG22 ILE 37 2HG2 ILE 37 -10.417 15.149 -23.952 281 HG23 ILE 37 3HG2 ILE 37 -11.830 14.341 -24.630 282 HD11 ILE 37 3HD1 ILE 37 -10.742 17.541 -21.038 283 HD12 ILE 37 1HD1 ILE 37 -12.318 18.326 -20.934 284 HD13 ILE 37 2HD1 ILE 37 -12.177 16.591 -20.651 285 H ASP 38 H ASP 38 -14.000 14.352 -25.558 286 HA ASP 38 HA ASP 38 -14.388 16.868 -26.997 287 HB2 ASP 38 1HB ASP 38 -13.596 14.092 -27.798 288 HB3 ASP 38 2HB ASP 38 -14.273 15.181 -29.005 289 H GLU 39 H GLU 39 -16.478 15.704 -25.299 290 HA GLU 39 HA GLU 39 -18.551 15.375 -27.364 291 HB2 GLU 39 1HB GLU 39 -17.843 13.337 -25.788 292 HB3 GLU 39 2HB GLU 39 -18.971 14.128 -24.697 293 HG2 GLU 39 1HG GLU 39 -20.782 13.707 -26.037 294 HG3 GLU 39 2HG GLU 39 -19.809 13.602 -27.503 295 H ASN 40 H ASN 40 -20.813 15.692 -26.234 296 HA ASN 40 HA ASN 40 -20.631 18.075 -24.510 297 HB2 ASN 40 1HB ASN 40 -22.835 18.731 -25.712 298 HB3 ASN 40 2HB ASN 40 -21.308 18.986 -26.552 299 HD21 ASN 40 1HD2 ASN 40 -21.948 18.794 -28.614 300 HD22 ASN 40 2HD2 ASN 40 -22.659 17.372 -29.292 301 H ASP 41 H ASP 41 -20.928 15.392 -23.610 302 HA ASP 41 HA ASP 41 -23.730 15.343 -22.712 303 HB2 ASP 41 1HB ASP 41 -21.660 13.158 -22.940 304 HB3 ASP 41 2HB ASP 41 -23.170 12.948 -22.056 305 H THR 42 H THR 42 -23.859 16.476 -20.869 306 HA THR 42 HA THR 42 -21.726 16.409 -18.911 307 HB THR 42 HB THR 42 -24.423 17.759 -18.695 308 HG1 THR 42 HG1 THR 42 -23.337 19.597 -19.464 309 HG21 THR 42 3HG2 THR 42 -23.764 18.229 -16.618 310 HG22 THR 42 1HG2 THR 42 -22.433 19.162 -17.300 311 HG23 THR 42 2HG2 THR 42 -22.200 17.462 -16.891 312 H ASP 43 H ASP 43 -24.578 14.674 -19.555 313 HA ASP 43 HA ASP 43 -25.140 13.930 -16.827 314 HB2 ASP 43 1HB ASP 43 -26.760 12.345 -17.869 315 HB3 ASP 43 2HB ASP 43 -26.987 14.016 -18.379 316 H VAL 44 H VAL 44 -23.728 12.347 -19.674 317 HA VAL 44 HA VAL 44 -23.253 9.845 -18.509 318 HB VAL 44 HB VAL 44 -23.091 10.349 -20.950 319 HG11 VAL 44 1HG1 VAL 44 -21.592 12.413 -20.423 320 HG12 VAL 44 2HG1 VAL 44 -20.276 11.241 -20.500 321 HG13 VAL 44 3HG1 VAL 44 -21.322 11.487 -21.898 322 HG21 VAL 44 3HG2 VAL 44 -21.948 8.444 -21.196 323 HG22 VAL 44 1HG2 VAL 44 -20.486 9.136 -20.492 324 HG23 VAL 44 2HG2 VAL 44 -21.742 8.475 -19.444 325 H MET 45 H MET 45 -21.707 12.865 -18.026 326 HA MET 45 HA MET 45 -19.110 12.178 -17.376 327 HB2 MET 45 1HB MET 45 -20.969 14.345 -16.567 328 HB3 MET 45 2HB MET 45 -19.544 14.110 -15.563 329 HG2 MET 45 1HG MET 45 -18.343 14.109 -17.923 330 HG3 MET 45 2HG MET 45 -19.765 15.053 -18.362 331 HE1 MET 45 3HE MET 45 -16.015 15.917 -16.800 332 HE2 MET 45 1HE MET 45 -16.696 15.828 -15.175 333 HE3 MET 45 2HE MET 45 -16.862 14.460 -16.276 334 H MET 46 H MET 46 -21.935 12.276 -15.207 335 HA MET 46 HA MET 46 -20.705 11.484 -12.862 336 HB2 MET 46 1HB MET 46 -22.986 12.224 -12.833 337 HB3 MET 46 2HB MET 46 -23.485 10.906 -13.885 338 HG2 MET 46 1HG MET 46 -24.162 10.493 -11.598 339 HG3 MET 46 2HG MET 46 -22.981 9.298 -12.129 340 HE1 MET 46 3HE MET 46 -22.984 12.716 -9.486 341 HE2 MET 46 1HE MET 46 -24.241 11.523 -9.813 342 HE3 MET 46 2HE MET 46 -23.177 11.322 -8.422 343 H ASP 47 H ASP 47 -22.276 9.387 -15.279 344 HA ASP 47 HA ASP 47 -21.699 6.943 -14.073 345 HB2 ASP 47 1HB ASP 47 -23.258 6.931 -15.852 346 HB3 ASP 47 2HB ASP 47 -22.131 7.721 -16.951 347 H PHE 48 H PHE 48 -19.710 9.037 -16.038 348 HA PHE 48 HA PHE 48 -17.652 7.111 -16.520 349 HB2 PHE 48 1HB PHE 48 -17.832 8.915 -18.072 350 HB3 PHE 48 2HB PHE 48 -17.754 10.115 -16.786 351 HD1 PHE 48 HD2 PHE 48 -15.787 7.550 -18.583 352 HD2 PHE 48 HD1 PHE 48 -15.700 10.969 -16.050 353 HE1 PHE 48 HE2 PHE 48 -13.350 7.706 -18.884 354 HE2 PHE 48 HE1 PHE 48 -13.263 11.132 -16.348 355 HZ PHE 48 HZ PHE 48 -12.085 9.498 -17.766 356 H ILE 49 H ILE 49 -17.981 9.875 -14.309 357 HA ILE 49 HA ILE 49 -15.486 9.529 -13.034 358 HB ILE 49 HB ILE 49 -17.987 10.817 -11.935 359 HG12 ILE 49 1HG1 ILE 49 -15.836 12.568 -12.829 360 HG13 ILE 49 2HG1 ILE 49 -16.470 11.574 -14.136 361 HG21 ILE 49 1HG2 ILE 49 -15.882 12.121 -10.813 362 HG22 ILE 49 2HG2 ILE 49 -16.783 10.816 -10.042 363 HG23 ILE 49 3HG2 ILE 49 -15.273 10.467 -10.883 364 HD11 ILE 49 3HD1 ILE 49 -17.595 13.902 -12.906 365 HD12 ILE 49 1HD1 ILE 49 -18.110 13.037 -14.354 366 HD13 ILE 49 2HD1 ILE 49 -18.706 12.540 -12.770 367 H SER 50 H SER 50 -18.644 8.123 -12.507 368 HA SER 50 HA SER 50 -17.969 6.982 -9.954 369 HB2 SER 50 1HB SER 50 -20.303 6.577 -11.829 370 HB3 SER 50 2HB SER 50 -20.144 5.724 -10.294 371 HG SER 50 HG SER 50 -19.973 7.877 -9.332 372 H ARG 51 H ARG 51 -18.484 5.690 -13.231 373 HA ARG 51 HA ARG 51 -17.891 3.020 -12.661 374 HB2 ARG 51 1HB ARG 51 -18.941 3.765 -14.757 375 HB3 ARG 51 2HB ARG 51 -17.434 4.532 -15.238 376 HG2 ARG 51 1HG ARG 51 -17.666 2.434 -16.381 377 HG3 ARG 51 2HG ARG 51 -16.340 2.322 -15.223 378 HD2 ARG 51 1HD ARG 51 -17.638 1.045 -13.716 379 HD3 ARG 51 2HD ARG 51 -19.131 1.412 -14.578 380 HE ARG 51 HE ARG 51 -17.411 0.073 -16.329 381 HH11 ARG 51 1HH1 ARG 51 -19.230 -0.529 -13.422 382 HH12 ARG 51 2HH1 ARG 51 -19.451 -2.215 -13.753 383 HH21 ARG 51 1HH2 ARG 51 -17.696 -2.146 -16.777 384 HH22 ARG 51 2HH2 ARG 51 -18.577 -3.134 -15.661 385 H PHE 52 H PHE 52 -15.787 5.713 -13.543 386 HA PHE 52 HA PHE 52 -13.430 4.038 -13.581 387 HB2 PHE 52 1HB PHE 52 -13.914 6.985 -13.960 388 HB3 PHE 52 2HB PHE 52 -12.284 6.337 -13.810 389 HD1 PHE 52 HD1 PHE 52 -15.409 5.515 -15.682 390 HD2 PHE 52 HD2 PHE 52 -11.179 5.977 -15.777 391 HE1 PHE 52 HE1 PHE 52 -15.408 4.977 -18.083 392 HE2 PHE 52 HE2 PHE 52 -11.171 5.440 -18.179 393 HZ PHE 52 HZ PHE 52 -13.287 4.940 -19.335 394 H ALA 53 H ALA 53 -14.458 6.862 -11.657 395 HA ALA 53 HA ALA 53 -12.547 6.126 -9.578 396 HB1 ALA 53 3HB ALA 53 -12.339 8.334 -9.452 397 HB2 ALA 53 1HB ALA 53 -13.744 8.582 -10.488 398 HB3 ALA 53 2HB ALA 53 -13.954 8.389 -8.747 399 H ARG 54 H ARG 54 -13.114 5.015 -7.832 400 HA ARG 54 HA ARG 54 -15.918 4.436 -7.350 401 HB2 ARG 54 1HB ARG 54 -13.998 2.729 -7.279 402 HB3 ARG 54 2HB ARG 54 -13.598 3.431 -5.717 403 HG2 ARG 54 1HG ARG 54 -16.024 2.951 -5.079 404 HG3 ARG 54 2HG ARG 54 -16.063 1.927 -6.516 405 HD2 ARG 54 1HD ARG 54 -14.262 1.658 -4.116 406 HD3 ARG 54 2HD ARG 54 -15.532 0.550 -4.633 407 HE ARG 54 HE ARG 54 -12.847 0.672 -5.615 408 HH11 ARG 54 1HH1 ARG 54 -16.125 -0.166 -6.435 409 HH12 ARG 54 2HH1 ARG 54 -15.666 -1.303 -7.659 410 HH21 ARG 54 1HH2 ARG 54 -12.230 -0.822 -7.225 411 HH22 ARG 54 2HH2 ARG 54 -13.450 -1.675 -8.107 412 H THR 55 H THR 55 -13.166 5.687 -5.462 413 HA THR 55 HA THR 55 -13.076 6.920 -3.543 414 HB THR 55 HB THR 55 -14.301 8.942 -3.530 415 HG1 THR 55 HG1 THR 55 -16.201 9.054 -5.051 416 HG21 THR 55 3HG2 THR 55 -14.468 8.568 -6.452 417 HG22 THR 55 1HG2 THR 55 -12.911 8.187 -5.719 418 HG23 THR 55 2HG2 THR 55 -13.614 9.791 -5.512 419 H ASP 56 H ASP 56 -14.289 4.456 -3.144 420 HA ASP 56 HA ASP 56 -16.578 5.012 -1.396 421 HB2 ASP 56 1HB ASP 56 -15.580 2.577 -2.811 422 HB3 ASP 56 2HB ASP 56 -16.513 2.368 -1.331 423 H GLU 57 H GLU 57 -13.313 3.712 -1.405 424 HA GLU 57 HA GLU 57 -13.192 4.072 1.482 425 HB2 GLU 57 1HB GLU 57 -13.833 1.768 1.369 426 HB3 GLU 57 2HB GLU 57 -12.658 1.443 0.102 427 HG2 GLU 57 1HG GLU 57 -10.876 1.455 1.560 428 HG3 GLU 57 2HG GLU 57 -11.730 2.424 2.760 429 H ILE 58 H ILE 58 -11.503 5.361 1.757 430 HA ILE 58 HA ILE 58 -9.119 4.934 0.077 431 HB ILE 58 HB ILE 58 -8.658 7.397 0.952 432 HG12 ILE 58 1HG1 ILE 58 -10.770 8.697 0.977 433 HG13 ILE 58 2HG1 ILE 58 -11.677 7.190 0.911 434 HG21 ILE 58 1HG2 ILE 58 -8.912 6.513 -1.406 435 HG22 ILE 58 2HG2 ILE 58 -10.610 6.972 -1.293 436 HG23 ILE 58 3HG2 ILE 58 -9.355 8.202 -1.155 437 HD11 ILE 58 3HD1 ILE 58 -11.360 6.754 3.089 438 HD12 ILE 58 1HD1 ILE 58 -9.719 7.399 3.093 439 HD13 ILE 58 2HD1 ILE 58 -11.098 8.496 3.181 440 H MET 59 H MET 59 -7.056 5.174 1.054 441 HA MET 59 HA MET 59 -7.030 5.098 3.991 442 HB2 MET 59 1HB MET 59 -5.976 3.069 2.079 443 HB3 MET 59 2HB MET 59 -5.045 3.388 3.537 444 HG2 MET 59 1HG MET 59 -7.775 3.086 4.264 445 HG3 MET 59 2HG MET 59 -7.319 1.743 3.219 446 HE1 MET 59 3HE MET 59 -6.867 -0.318 6.244 447 HE2 MET 59 1HE MET 59 -7.895 0.187 4.902 448 HE3 MET 59 2HE MET 59 -6.325 -0.551 4.581 449 HA PRO 60 HA PRO 60 -3.630 7.863 3.809 450 HB2 PRO 60 1HB PRO 60 -2.053 6.993 5.840 451 HB3 PRO 60 2HB PRO 60 -3.591 7.821 6.106 452 HG2 PRO 60 1HG PRO 60 -2.981 4.891 6.173 453 HG3 PRO 60 2HG PRO 60 -3.984 5.851 7.276 454 HD2 PRO 60 1HD PRO 60 -5.039 4.318 5.308 455 HD3 PRO 60 2HD PRO 60 -5.794 5.831 5.849 456 H GLU 61 H GLU 61 -2.663 4.455 4.099 457 HA GLU 61 HA GLU 61 -0.019 4.640 3.331 458 HB2 GLU 61 1HB GLU 61 -2.086 2.496 2.943 459 HB3 GLU 61 2HB GLU 61 -0.458 2.295 2.312 460 HG2 GLU 61 1HG GLU 61 -1.142 2.823 5.195 461 HG3 GLU 61 2HG GLU 61 -0.772 1.242 4.508 462 H ASP 62 H ASP 62 -2.905 4.803 1.368 463 HA ASP 62 HA ASP 62 -1.823 4.363 -1.161 464 HB2 ASP 62 1HB ASP 62 -4.127 6.076 -0.236 465 HB3 ASP 62 2HB ASP 62 -3.718 5.891 -1.940 466 H LYS 63 H LYS 63 -0.241 5.379 -2.179 467 HA LYS 63 HA LYS 63 0.456 8.109 -1.410 468 HB2 LYS 63 1HB LYS 63 2.091 6.070 -1.721 469 HB3 LYS 63 2HB LYS 63 2.000 6.519 -3.419 470 HG2 LYS 63 1HG LYS 63 2.978 8.607 -3.041 471 HG3 LYS 63 2HG LYS 63 2.682 8.528 -1.302 472 HD2 LYS 63 1HD LYS 63 4.428 7.046 -0.942 473 HD3 LYS 63 2HD LYS 63 4.435 6.492 -2.618 474 HE2 LYS 63 1HE LYS 63 6.358 7.818 -2.419 475 HE3 LYS 63 2HE LYS 63 5.179 8.857 -3.217 476 HZ1 LYS 63 3HZ LYS 63 4.772 10.006 -1.201 477 HZ2 LYS 63 1HZ LYS 63 6.453 9.925 -1.380 478 HZ3 LYS 63 2HZ LYS 63 5.668 8.894 -0.293 479 H THR 64 H THR 64 1.250 9.530 -3.275 480 HA THR 64 HA THR 64 -0.841 9.529 -5.333 481 HB THR 64 HB THR 64 1.024 11.771 -4.532 482 HG1 THR 64 HG1 THR 64 -0.488 12.362 -3.141 483 HG21 THR 64 3HG2 THR 64 -0.560 13.183 -5.799 484 HG22 THR 64 1HG2 THR 64 -1.416 11.730 -6.313 485 HG23 THR 64 2HG2 THR 64 0.251 11.999 -6.823 486 H VAL 65 H VAL 65 -0.237 8.525 -7.143 487 HA VAL 65 HA VAL 65 2.495 8.306 -7.967 488 HB VAL 65 HB VAL 65 0.773 6.564 -8.439 489 HG11 VAL 65 1HG1 VAL 65 -1.056 6.919 -9.696 490 HG12 VAL 65 2HG1 VAL 65 -0.781 8.616 -9.301 491 HG13 VAL 65 3HG1 VAL 65 -0.199 7.961 -10.831 492 HG21 VAL 65 3HG2 VAL 65 1.564 7.065 -11.154 493 HG22 VAL 65 1HG2 VAL 65 2.880 7.469 -10.052 494 HG23 VAL 65 2HG2 VAL 65 2.167 5.856 -10.020 495 H GLY 66 H GLY 66 -0.075 10.535 -8.558 496 HA2 GLY 66 1HA GLY 66 1.366 12.577 -9.601 497 HA3 GLY 66 2HA GLY 66 1.034 11.582 -11.011 498 H PHE 67 H PHE 67 0.106 14.079 -11.094 499 HA PHE 67 HA PHE 67 -2.790 13.702 -10.787 500 HB2 PHE 67 1HB PHE 67 -2.969 16.132 -10.170 501 HB3 PHE 67 2HB PHE 67 -2.198 15.125 -8.948 502 HD1 PHE 67 HD1 PHE 67 0.184 15.312 -8.503 503 HD2 PHE 67 HD2 PHE 67 -1.734 17.809 -11.367 504 HE1 PHE 67 HE1 PHE 67 2.133 16.813 -8.495 505 HE2 PHE 67 HE2 PHE 67 0.212 19.313 -11.364 506 HZ PHE 67 HZ PHE 67 2.150 18.816 -9.927 507 H VAL 68 H VAL 68 -4.083 14.822 -12.301 508 HA VAL 68 HA VAL 68 -2.631 16.008 -14.570 509 HB VAL 68 HB VAL 68 -4.926 14.054 -14.790 510 HG11 VAL 68 1HG1 VAL 68 -4.598 14.237 -17.201 511 HG12 VAL 68 2HG1 VAL 68 -5.007 15.804 -16.499 512 HG13 VAL 68 3HG1 VAL 68 -3.339 15.445 -16.946 513 HG21 VAL 68 3HG2 VAL 68 -3.385 12.488 -15.669 514 HG22 VAL 68 1HG2 VAL 68 -2.105 13.697 -15.773 515 HG23 VAL 68 2HG2 VAL 68 -2.649 13.123 -14.197 516 H VAL 69 H VAL 69 -3.278 18.036 -14.803 517 HA VAL 69 HA VAL 69 -5.898 18.865 -13.841 518 HB VAL 69 HB VAL 69 -3.720 20.576 -15.043 519 HG11 VAL 69 1HG1 VAL 69 -5.614 21.882 -15.123 520 HG12 VAL 69 2HG1 VAL 69 -6.321 21.135 -13.689 521 HG13 VAL 69 3HG1 VAL 69 -4.989 22.279 -13.523 522 HG21 VAL 69 3HG2 VAL 69 -3.983 19.353 -12.399 523 HG22 VAL 69 1HG2 VAL 69 -2.572 20.055 -13.190 524 HG23 VAL 69 2HG2 VAL 69 -3.726 21.097 -12.358 525 H VAL 70 H VAL 70 -7.603 18.965 -15.132 526 HA VAL 70 HA VAL 70 -7.201 19.587 -17.979 527 HB VAL 70 HB VAL 70 -9.052 17.455 -16.903 528 HG11 VAL 70 1HG1 VAL 70 -9.057 18.971 -19.376 529 HG12 VAL 70 2HG1 VAL 70 -8.939 17.232 -19.657 530 HG13 VAL 70 3HG1 VAL 70 -10.279 17.885 -18.714 531 HG21 VAL 70 3HG2 VAL 70 -6.500 17.326 -18.493 532 HG22 VAL 70 1HG2 VAL 70 -6.846 16.593 -16.927 533 HG23 VAL 70 2HG2 VAL 70 -7.632 15.979 -18.381 534 H ASN 71 H ASN 71 -8.227 21.417 -18.412 535 HA ASN 71 HA ASN 71 -10.880 21.862 -17.224 536 HB2 ASN 71 1HB ASN 71 -9.015 24.163 -17.708 537 HB3 ASN 71 2HB ASN 71 -10.406 24.070 -16.632 538 HD21 ASN 71 1HD2 ASN 71 -9.990 21.934 -15.124 539 HD22 ASN 71 2HD2 ASN 71 -8.523 22.070 -14.222 540 H ALA 72 H ALA 72 -12.361 22.050 -18.757 541 HA ALA 72 HA ALA 72 -11.624 22.485 -21.504 542 HB1 ALA 72 3HB ALA 72 -13.834 21.935 -22.049 543 HB2 ALA 72 1HB ALA 72 -13.464 20.939 -20.640 544 HB3 ALA 72 2HB ALA 72 -14.436 22.400 -20.457 545 H ASP 73 H ASP 73 -13.297 24.305 -18.982 546 HA ASP 73 HA ASP 73 -14.293 26.421 -20.449 547 HB2 ASP 73 1HB ASP 73 -14.669 26.041 -18.013 548 HB3 ASP 73 2HB ASP 73 -13.034 26.619 -17.706 549 H LYS 74 H LYS 74 -11.086 26.201 -18.911 550 HA LYS 74 HA LYS 74 -10.209 28.552 -20.398 551 HB2 LYS 74 1HB LYS 74 -8.982 26.931 -18.174 552 HB3 LYS 74 2HB LYS 74 -8.072 28.160 -19.043 553 HG2 LYS 74 1HG LYS 74 -9.373 29.894 -18.208 554 HG3 LYS 74 2HG LYS 74 -10.700 28.815 -17.771 555 HD2 LYS 74 1HD LYS 74 -9.788 29.183 -15.704 556 HD3 LYS 74 2HD LYS 74 -8.866 27.760 -16.194 557 HE2 LYS 74 1HE LYS 74 -7.262 29.254 -15.364 558 HE3 LYS 74 2HE LYS 74 -7.147 29.403 -17.117 559 HZ1 LYS 74 3HZ LYS 74 -7.165 31.540 -15.816 560 HZ2 LYS 74 1HZ LYS 74 -8.793 31.234 -15.471 561 HZ3 LYS 74 2HZ LYS 74 -8.292 31.439 -17.074 562 H LYS 75 H LYS 75 -10.224 25.207 -20.738 563 HA LYS 75 HA LYS 75 -9.281 23.786 -22.243 564 HB2 LYS 75 1HB LYS 75 -8.156 26.227 -23.616 565 HB3 LYS 75 2HB LYS 75 -8.497 24.655 -24.329 566 HG2 LYS 75 1HG LYS 75 -10.879 25.012 -24.039 567 HG3 LYS 75 2HG LYS 75 -10.567 26.562 -23.253 568 HD2 LYS 75 1HD LYS 75 -9.792 27.539 -25.241 569 HD3 LYS 75 2HD LYS 75 -9.575 25.973 -26.027 570 HE2 LYS 75 1HE LYS 75 -12.052 25.669 -25.927 571 HE3 LYS 75 2HE LYS 75 -12.179 27.323 -25.330 572 HZ1 LYS 75 3HZ LYS 75 -11.198 26.425 -27.978 573 HZ2 LYS 75 1HZ LYS 75 -10.973 28.000 -27.404 574 HZ3 LYS 75 2HZ LYS 75 -12.537 27.403 -27.645 575 H LEU 76 H LEU 76 -7.910 23.756 -20.041 576 HA LEU 76 HA LEU 76 -5.083 24.054 -20.817 577 HB2 LEU 76 1HB LEU 76 -5.980 23.866 -17.972 578 HB3 LEU 76 2HB LEU 76 -4.502 24.564 -18.630 579 HG LEU 76 HG LEU 76 -7.250 25.784 -18.885 580 HD11 LEU 76 1HD1 LEU 76 -5.508 27.384 -17.352 581 HD12 LEU 76 2HD1 LEU 76 -5.426 25.752 -16.690 582 HD13 LEU 76 3HD1 LEU 76 -6.983 26.569 -16.831 583 HD21 LEU 76 3HD2 LEU 76 -5.202 26.194 -20.553 584 HD22 LEU 76 1HD2 LEU 76 -4.760 27.332 -19.281 585 HD23 LEU 76 2HD2 LEU 76 -6.325 27.471 -20.083 586 H MET 77 H MET 77 -3.732 22.331 -20.605 587 HA MET 77 HA MET 77 -4.804 19.879 -19.396 588 HB2 MET 77 1HB MET 77 -4.810 20.145 -22.065 589 HB3 MET 77 2HB MET 77 -3.160 19.576 -21.850 590 HG2 MET 77 1HG MET 77 -5.610 18.169 -20.814 591 HG3 MET 77 2HG MET 77 -4.772 17.771 -22.312 592 HE1 MET 77 3HE MET 77 -2.222 17.081 -22.388 593 HE2 MET 77 1HE MET 77 -1.667 18.308 -21.249 594 HE3 MET 77 2HE MET 77 -1.271 16.611 -20.978 595 H SER 78 H SER 78 -3.448 19.090 -17.937 596 HA SER 78 HA SER 78 -0.563 19.326 -18.366 597 HB2 SER 78 1HB SER 78 -1.828 20.035 -15.714 598 HB3 SER 78 2HB SER 78 -0.134 20.203 -16.177 599 HG SER 78 HG SER 78 -1.772 22.095 -16.285 600 H VAL 79 H VAL 79 0.499 17.511 -17.872 601 HA VAL 79 HA VAL 79 -0.843 15.533 -16.148 602 HB VAL 79 HB VAL 79 0.176 13.749 -17.568 603 HG11 VAL 79 1HG1 VAL 79 -1.958 15.601 -18.470 604 HG12 VAL 79 2HG1 VAL 79 -1.404 14.376 -19.613 605 HG13 VAL 79 3HG1 VAL 79 -2.045 13.892 -18.042 606 HG21 VAL 79 3HG2 VAL 79 0.771 14.471 -19.922 607 HG22 VAL 79 1HG2 VAL 79 0.865 16.116 -19.292 608 HG23 VAL 79 2HG2 VAL 79 1.944 14.869 -18.667 609 H SER 80 H SER 80 0.327 15.010 -14.432 610 HA SER 80 HA SER 80 3.249 14.936 -14.650 611 HB2 SER 80 1HB SER 80 3.170 16.984 -13.600 612 HB3 SER 80 2HB SER 80 1.629 16.642 -12.815 613 HG SER 80 HG SER 80 4.225 15.890 -12.052 614 H PHE 81 H PHE 81 3.372 12.741 -14.500 615 HA PHE 81 HA PHE 81 2.830 11.603 -11.883 616 HB2 PHE 81 1HB PHE 81 1.580 9.705 -12.732 617 HB3 PHE 81 2HB PHE 81 0.759 11.194 -13.189 618 HD1 PHE 81 HD1 PHE 81 1.319 12.117 -15.555 619 HD2 PHE 81 HD2 PHE 81 1.991 8.096 -14.329 620 HE1 PHE 81 HE1 PHE 81 1.340 11.406 -17.910 621 HE2 PHE 81 HE2 PHE 81 2.014 7.379 -16.682 622 HZ PHE 81 HZ PHE 81 1.689 9.034 -18.477 623 H SER 82 H SER 82 4.012 9.695 -11.450 624 HA SER 82 HA SER 82 6.098 9.067 -13.434 625 HB2 SER 82 1HB SER 82 6.758 10.449 -11.311 626 HB3 SER 82 2HB SER 82 6.643 8.894 -10.488 627 HG SER 82 HG SER 82 8.388 9.681 -12.558 628 H ASP 83 H ASP 83 7.350 7.004 -12.192 629 HA ASP 83 HA ASP 83 7.249 4.761 -11.829 630 HB2 ASP 83 1HB ASP 83 4.434 5.039 -10.823 631 HB3 ASP 83 2HB ASP 83 5.701 3.942 -10.281 632 H ILE 84 H ILE 84 6.822 5.420 -14.377 633 HA ILE 84 HA ILE 84 4.850 3.431 -15.233 634 HB ILE 84 HB ILE 84 4.180 4.911 -17.132 635 HG12 ILE 84 1HG1 ILE 84 5.162 7.249 -15.541 636 HG13 ILE 84 2HG1 ILE 84 6.274 6.427 -16.629 637 HG21 ILE 84 1HG2 ILE 84 3.322 6.514 -14.856 638 HG22 ILE 84 2HG2 ILE 84 2.380 5.504 -15.951 639 HG23 ILE 84 3HG2 ILE 84 3.201 4.778 -14.569 640 HD11 ILE 84 3HD1 ILE 84 5.457 7.570 -18.329 641 HD12 ILE 84 1HD1 ILE 84 3.854 6.898 -18.029 642 HD13 ILE 84 2HD1 ILE 84 4.346 8.396 -17.237 643 H ASP 85 H ASP 85 5.245 2.553 -17.338 644 HA ASP 85 HA ASP 85 7.918 1.982 -17.877 645 HB2 ASP 85 1HB ASP 85 5.353 1.608 -19.355 646 HB3 ASP 85 2HB ASP 85 6.860 1.367 -20.235 647 H GLU 86 H GLU 86 9.221 2.517 -19.739 648 HA GLU 86 HA GLU 86 9.285 5.330 -20.226 649 HB2 GLU 86 1HB GLU 86 11.234 4.811 -21.650 650 HB3 GLU 86 2HB GLU 86 11.355 4.080 -20.056 651 HG2 GLU 86 1HG GLU 86 10.240 2.039 -21.338 652 HG3 GLU 86 2HG GLU 86 11.033 2.812 -22.709 653 H ASN 87 H ASN 87 8.392 2.492 -22.125 654 HA ASN 87 HA ASN 87 7.998 3.904 -24.564 655 HB2 ASN 87 1HB ASN 87 8.401 1.424 -24.350 656 HB3 ASN 87 2HB ASN 87 6.747 1.271 -23.764 657 HD21 ASN 87 1HD2 ASN 87 5.612 0.363 -25.321 658 HD22 ASN 87 2HD2 ASN 87 5.603 0.844 -26.980 659 H MET 88 H MET 88 6.040 3.297 -21.761 660 HA MET 88 HA MET 88 3.496 3.740 -22.882 661 HB2 MET 88 1HB MET 88 4.319 2.935 -20.469 662 HB3 MET 88 2HB MET 88 4.020 4.626 -20.092 663 HG2 MET 88 1HG MET 88 1.725 4.281 -21.139 664 HG3 MET 88 2HG MET 88 2.078 2.557 -21.051 665 HE1 MET 88 3HE MET 88 1.020 1.288 -19.370 666 HE2 MET 88 1HE MET 88 2.610 1.302 -18.606 667 HE3 MET 88 2HE MET 88 1.163 1.568 -17.634 668 H LYS 89 H LYS 89 6.012 5.910 -21.814 669 HA LYS 89 HA LYS 89 4.565 8.270 -21.513 670 HB2 LYS 89 1HB LYS 89 7.391 7.606 -22.184 671 HB3 LYS 89 2HB LYS 89 6.857 9.261 -22.445 672 HG2 LYS 89 1HG LYS 89 5.987 9.123 -20.020 673 HG3 LYS 89 2HG LYS 89 7.059 7.726 -19.887 674 HD2 LYS 89 1HD LYS 89 8.038 10.363 -20.938 675 HD3 LYS 89 2HD LYS 89 7.981 10.024 -19.207 676 HE2 LYS 89 1HE LYS 89 9.284 7.887 -19.798 677 HE3 LYS 89 2HE LYS 89 9.607 8.678 -21.340 678 HZ1 LYS 89 3HZ LYS 89 10.746 9.184 -18.752 679 HZ2 LYS 89 1HZ LYS 89 10.217 10.593 -19.527 680 HZ3 LYS 89 2HZ LYS 89 11.336 9.578 -20.288 681 H LYS 90 H LYS 90 5.752 6.675 -24.409 682 HA LYS 90 HA LYS 90 5.391 8.747 -26.249 683 HB2 LYS 90 1HB LYS 90 6.417 6.331 -26.489 684 HB3 LYS 90 2HB LYS 90 4.792 5.921 -27.022 685 HG2 LYS 90 1HG LYS 90 6.214 8.238 -28.252 686 HG3 LYS 90 2HG LYS 90 6.599 6.592 -28.759 687 HD2 LYS 90 1HD LYS 90 4.030 6.338 -29.012 688 HD3 LYS 90 2HD LYS 90 4.027 8.104 -29.023 689 HE2 LYS 90 1HE LYS 90 5.841 6.539 -30.827 690 HE3 LYS 90 2HE LYS 90 4.165 6.854 -31.273 691 HZ1 LYS 90 3HZ LYS 90 4.554 9.059 -31.552 692 HZ2 LYS 90 1HZ LYS 90 6.099 8.486 -31.932 693 HZ3 LYS 90 2HZ LYS 90 5.788 9.122 -30.397 694 H VAL 91 H VAL 91 3.156 6.102 -25.400 695 HA VAL 91 HA VAL 91 1.014 7.005 -26.985 696 HB VAL 91 HB VAL 91 0.837 5.380 -24.445 697 HG11 VAL 91 1HG1 VAL 91 -1.304 6.291 -25.237 698 HG12 VAL 91 2HG1 VAL 91 -1.030 5.539 -26.809 699 HG13 VAL 91 3HG1 VAL 91 -1.240 4.534 -25.375 700 HG21 VAL 91 3HG2 VAL 91 0.766 3.459 -26.142 701 HG22 VAL 91 1HG2 VAL 91 1.473 4.612 -27.275 702 HG23 VAL 91 2HG2 VAL 91 2.333 4.190 -25.794 703 H ILE 92 H ILE 92 1.521 7.310 -23.467 704 HA ILE 92 HA ILE 92 -0.700 8.833 -22.854 705 HB ILE 92 HB ILE 92 2.044 9.035 -21.609 706 HG12 ILE 92 1HG1 ILE 92 -0.182 7.578 -20.299 707 HG13 ILE 92 2HG1 ILE 92 0.521 6.815 -21.721 708 HG21 ILE 92 1HG2 ILE 92 1.198 10.733 -20.447 709 HG22 ILE 92 2HG2 ILE 92 -0.413 10.469 -21.111 710 HG23 ILE 92 3HG2 ILE 92 0.111 9.570 -19.687 711 HD11 ILE 92 3HD1 ILE 92 2.262 6.120 -20.551 712 HD12 ILE 92 1HD1 ILE 92 2.589 7.752 -19.967 713 HD13 ILE 92 2HD1 ILE 92 1.456 6.715 -19.099 714 H LYS 93 H LYS 93 2.540 9.995 -23.761 715 HA LYS 93 HA LYS 93 2.001 12.730 -23.638 716 HB2 LYS 93 1HB LYS 93 4.266 11.769 -23.845 717 HB3 LYS 93 2HB LYS 93 3.904 11.296 -25.500 718 HG2 LYS 93 1HG LYS 93 3.617 13.655 -26.101 719 HG3 LYS 93 2HG LYS 93 4.016 14.115 -24.444 720 HD2 LYS 93 1HD LYS 93 5.898 12.406 -26.021 721 HD3 LYS 93 2HD LYS 93 5.865 14.152 -26.277 722 HE2 LYS 93 1HE LYS 93 6.207 12.862 -23.576 723 HE3 LYS 93 2HE LYS 93 7.555 13.349 -24.604 724 HZ1 LYS 93 3HZ LYS 93 5.973 15.561 -24.505 725 HZ2 LYS 93 1HZ LYS 93 7.381 15.311 -23.602 726 HZ3 LYS 93 2HZ LYS 93 5.872 14.950 -22.931 727 H ALA 94 H ALA 94 1.759 10.492 -26.387 728 HA ALA 94 HA ALA 94 1.030 12.293 -28.362 729 HB1 ALA 94 3HB ALA 94 0.147 9.432 -28.005 730 HB2 ALA 94 1HB ALA 94 -0.045 10.373 -29.485 731 HB3 ALA 94 2HB ALA 94 1.569 10.000 -28.880 732 H THR 95 H THR 95 -1.097 10.463 -26.169 733 HA THR 95 HA THR 95 -3.531 11.461 -27.113 734 HB THR 95 HB THR 95 -2.942 10.672 -24.255 735 HG1 THR 95 HG1 THR 95 -3.722 8.571 -25.086 736 HG21 THR 95 3HG2 THR 95 -5.113 11.727 -24.547 737 HG22 THR 95 1HG2 THR 95 -5.316 10.000 -24.252 738 HG23 THR 95 2HG2 THR 95 -5.484 10.643 -25.886 739 H ALA 96 H ALA 96 -1.554 12.574 -24.365 740 HA ALA 96 HA ALA 96 -3.192 14.734 -23.640 741 HB1 ALA 96 3HB ALA 96 -0.502 15.398 -23.055 742 HB2 ALA 96 1HB ALA 96 -1.741 14.776 -21.965 743 HB3 ALA 96 2HB ALA 96 -0.688 13.659 -22.834 744 H GLU 97 H GLU 97 -0.800 14.378 -26.143 745 HA GLU 97 HA GLU 97 -0.457 17.177 -26.633 746 HB2 GLU 97 1HB GLU 97 1.071 15.132 -27.268 747 HB3 GLU 97 2HB GLU 97 0.080 15.103 -28.719 748 HG2 GLU 97 1HG GLU 97 0.663 17.536 -29.022 749 HG3 GLU 97 2HG GLU 97 1.851 17.319 -27.738 750 H LYS 98 H LYS 98 -2.462 14.614 -27.988 751 HA LYS 98 HA LYS 98 -3.469 15.899 -30.225 752 HB2 LYS 98 1HB LYS 98 -4.056 13.556 -28.751 753 HB3 LYS 98 2HB LYS 98 -5.575 14.420 -28.954 754 HG2 LYS 98 1HG LYS 98 -5.611 14.113 -31.201 755 HG3 LYS 98 2HG LYS 98 -3.852 14.131 -31.345 756 HD2 LYS 98 1HD LYS 98 -3.652 11.898 -30.777 757 HD3 LYS 98 2HD LYS 98 -5.201 11.869 -29.931 758 HE2 LYS 98 1HE LYS 98 -5.653 10.687 -31.874 759 HE3 LYS 98 2HE LYS 98 -6.218 12.310 -32.266 760 HZ1 LYS 98 3HZ LYS 98 -3.488 11.406 -32.956 761 HZ2 LYS 98 1HZ LYS 98 -4.357 12.711 -33.593 762 HZ3 LYS 98 2HZ LYS 98 -4.803 11.127 -33.984 763 H PHE 99 H PHE 99 -4.200 16.392 -26.861 764 HA PHE 99 HA PHE 99 -6.670 17.670 -27.043 765 HB2 PHE 99 1HB PHE 99 -4.408 17.751 -25.097 766 HB3 PHE 99 2HB PHE 99 -5.676 18.964 -24.954 767 HD1 PHE 99 HD1 PHE 99 -4.962 15.351 -24.876 768 HD2 PHE 99 HD2 PHE 99 -7.817 18.413 -24.106 769 HE1 PHE 99 HE1 PHE 99 -6.361 13.736 -23.656 770 HE2 PHE 99 HE2 PHE 99 -9.220 16.803 -22.884 771 HZ PHE 99 HZ PHE 99 -8.492 14.461 -22.657 772 H LYS 100 H LYS 100 -3.526 18.742 -27.960 773 HA LYS 100 HA LYS 100 -3.688 21.486 -27.784 774 HB2 LYS 100 1HB LYS 100 -1.720 20.143 -28.580 775 HB3 LYS 100 2HB LYS 100 -2.529 19.981 -30.134 776 HG2 LYS 100 1HG LYS 100 -2.606 22.564 -30.097 777 HG3 LYS 100 2HG LYS 100 -1.352 22.417 -28.863 778 HD2 LYS 100 1HD LYS 100 -1.112 20.969 -31.476 779 HD3 LYS 100 2HD LYS 100 -0.648 22.666 -31.339 780 HE2 LYS 100 1HE LYS 100 0.856 22.038 -29.461 781 HE3 LYS 100 2HE LYS 100 0.462 20.347 -29.763 782 HZ1 LYS 100 3HZ LYS 100 2.570 21.289 -30.809 783 HZ2 LYS 100 1HZ LYS 100 1.543 22.069 -31.904 784 HZ3 LYS 100 2HZ LYS 100 1.545 20.381 -31.803 785 H ASN 101 H ASN 101 -5.301 19.337 -30.011 786 HA ASN 101 HA ASN 101 -6.047 21.097 -32.020 787 HB2 ASN 101 1HB ASN 101 -7.425 18.681 -30.859 788 HB3 ASN 101 2HB ASN 101 -8.101 19.573 -32.219 789 HD21 ASN 101 1HD2 ASN 101 -6.317 16.973 -31.427 790 HD22 ASN 101 2HD2 ASN 101 -5.395 16.784 -32.876 791 H LYS 102 H LYS 102 -7.442 20.594 -28.832 792 HA LYS 102 HA LYS 102 -9.143 22.955 -29.281 793 HB2 LYS 102 1HB LYS 102 -9.854 20.477 -27.700 794 HB3 LYS 102 2HB LYS 102 -10.834 21.935 -27.791 795 HG2 LYS 102 1HG LYS 102 -10.128 20.142 -30.105 796 HG3 LYS 102 2HG LYS 102 -11.680 20.194 -29.267 797 HD2 LYS 102 1HD LYS 102 -11.592 22.734 -29.884 798 HD3 LYS 102 2HD LYS 102 -10.447 22.194 -31.113 799 HE2 LYS 102 1HE LYS 102 -13.055 20.775 -30.811 800 HE3 LYS 102 2HE LYS 102 -13.009 22.329 -31.641 801 HZ1 LYS 102 3HZ LYS 102 -10.979 20.458 -32.487 802 HZ2 LYS 102 1HZ LYS 102 -11.999 21.441 -33.411 803 HZ3 LYS 102 2HZ LYS 102 -12.562 19.960 -32.818 804 H GLY 103 H GLY 103 -6.444 22.595 -28.070 805 HA2 GLY 103 1HA GLY 103 -6.667 24.401 -25.956 806 HA3 GLY 103 2HA GLY 103 -6.621 22.789 -25.255 807 H PHE 104 H PHE 104 -4.851 25.121 -27.200 808 HA PHE 104 HA PHE 104 -2.519 23.738 -27.702 809 HB2 PHE 104 1HB PHE 104 -1.397 26.008 -27.594 810 HB3 PHE 104 2HB PHE 104 -2.790 25.898 -28.665 811 HD1 PHE 104 HD1 PHE 104 -1.612 27.135 -25.400 812 HD2 PHE 104 HD2 PHE 104 -4.731 27.200 -28.296 813 HE1 PHE 104 HE1 PHE 104 -2.648 29.039 -24.236 814 HE2 PHE 104 HE2 PHE 104 -5.771 29.105 -27.137 815 HZ PHE 104 HZ PHE 104 -4.730 30.027 -25.105 816 H LYS 105 H LYS 105 -3.657 25.114 -24.709 817 HA LYS 105 HA LYS 105 -1.224 25.117 -23.287 818 HB2 LYS 105 1HB LYS 105 -3.125 26.339 -22.445 819 HB3 LYS 105 2HB LYS 105 -4.081 24.867 -22.336 820 HG2 LYS 105 1HG LYS 105 -3.359 25.499 -20.141 821 HG3 LYS 105 2HG LYS 105 -2.515 24.024 -20.618 822 HD2 LYS 105 1HD LYS 105 -0.805 25.295 -19.715 823 HD3 LYS 105 2HD LYS 105 -0.666 25.659 -21.437 824 HE2 LYS 105 1HE LYS 105 -2.178 27.658 -20.958 825 HE3 LYS 105 2HE LYS 105 -1.851 27.351 -19.253 826 HZ1 LYS 105 3HZ LYS 105 0.318 27.715 -21.234 827 HZ2 LYS 105 1HZ LYS 105 0.419 27.792 -19.547 828 HZ3 LYS 105 2HZ LYS 105 -0.371 29.018 -20.404 829 H VAL 106 H VAL 106 -0.087 23.221 -23.613 830 HA VAL 106 HA VAL 106 -1.182 20.869 -22.228 831 HB VAL 106 HB VAL 106 0.352 20.800 -24.831 832 HG11 VAL 106 1HG1 VAL 106 -0.119 18.801 -22.767 833 HG12 VAL 106 2HG1 VAL 106 -0.655 18.283 -24.366 834 HG13 VAL 106 3HG1 VAL 106 1.016 18.790 -24.116 835 HG21 VAL 106 3HG2 VAL 106 -2.533 20.326 -24.142 836 HG22 VAL 106 1HG2 VAL 106 -1.852 21.398 -25.366 837 HG23 VAL 106 2HG2 VAL 106 -1.798 19.650 -25.596 838 H GLU 107 H GLU 107 0.118 20.146 -20.679 839 HA GLU 107 HA GLU 107 3.013 20.547 -20.934 840 HB2 GLU 107 1HB GLU 107 2.078 22.362 -19.520 841 HB3 GLU 107 2HB GLU 107 1.438 21.145 -18.424 842 HG2 GLU 107 1HG GLU 107 3.972 20.371 -18.407 843 HG3 GLU 107 2HG GLU 107 4.224 22.065 -18.826 844 H THR 108 H THR 108 4.244 18.892 -20.191 845 HA THR 108 HA THR 108 2.916 16.742 -18.690 846 HB THR 108 HB THR 108 3.828 15.026 -20.066 847 HG1 THR 108 HG1 THR 108 5.204 17.125 -21.419 848 HG21 THR 108 3HG2 THR 108 3.060 16.760 -22.310 849 HG22 THR 108 1HG2 THR 108 1.913 16.737 -20.971 850 HG23 THR 108 2HG2 THR 108 2.367 15.231 -21.769 851 H ASP 109 H ASP 109 4.208 15.611 -17.262 852 HA ASP 109 HA ASP 109 6.644 16.954 -16.471 853 HB2 ASP 109 1HB ASP 109 5.047 16.239 -14.758 854 HB3 ASP 109 2HB ASP 109 5.225 14.565 -15.274 855 H MET 110 H MET 110 8.575 16.431 -17.232 856 HA MET 110 HA MET 110 9.015 14.115 -18.826 857 HB2 MET 110 1HB MET 110 10.193 16.396 -18.965 858 HB3 MET 110 2HB MET 110 11.190 15.821 -17.635 859 HG2 MET 110 1HG MET 110 11.713 13.814 -19.101 860 HG3 MET 110 2HG MET 110 10.995 14.734 -20.421 861 HE1 MET 110 3HE MET 110 12.447 15.462 -22.007 862 HE2 MET 110 1HE MET 110 14.109 16.026 -21.830 863 HE3 MET 110 2HE MET 110 13.724 14.325 -21.571 Start of MODEL 2 1 H MET 1 H MET 1 0.919 -0.710 0.638 2 HA MET 1 HA MET 1 2.181 1.638 -0.265 3 HB2 MET 1 1HB MET 1 3.860 0.166 -1.225 4 HB3 MET 1 2HB MET 1 3.400 -0.409 0.372 5 HG2 MET 1 1HG MET 1 2.208 -2.218 -0.492 6 HG3 MET 1 2HG MET 1 2.134 -1.513 -2.105 7 HE1 MET 1 3HE MET 1 3.950 -4.899 -1.993 8 HE2 MET 1 1HE MET 1 4.402 -4.503 -0.335 9 HE3 MET 1 2HE MET 1 2.749 -4.231 -0.887 10 H THR 2 H THR 2 -0.462 1.350 -1.383 11 HA THR 2 HA THR 2 -0.031 0.794 -4.209 12 HB THR 2 HB THR 2 -2.131 0.075 -3.010 13 HG1 THR 2 HG1 THR 2 -1.988 0.349 -5.329 14 HG21 THR 2 3HG2 THR 2 -2.340 2.278 -1.766 15 HG22 THR 2 1HG2 THR 2 -3.822 1.647 -2.483 16 HG23 THR 2 2HG2 THR 2 -2.950 2.961 -3.272 17 H LEU 3 H LEU 3 -0.319 2.314 -5.860 18 HA LEU 3 HA LEU 3 0.055 5.100 -4.999 19 HB2 LEU 3 1HB LEU 3 0.989 3.515 -7.338 20 HB3 LEU 3 2HB LEU 3 0.745 5.249 -7.541 21 HG LEU 3 HG LEU 3 2.521 4.091 -5.403 22 HD11 LEU 3 1HD1 LEU 3 4.406 4.569 -6.873 23 HD12 LEU 3 2HD1 LEU 3 3.294 5.017 -8.166 24 HD13 LEU 3 3HD1 LEU 3 3.340 3.355 -7.580 25 HD21 LEU 3 3HD2 LEU 3 2.903 6.768 -6.613 26 HD22 LEU 3 1HD2 LEU 3 3.148 6.225 -4.952 27 HD23 LEU 3 2HD2 LEU 3 1.518 6.556 -5.541 28 H CYS 4 H CYS 4 -1.283 6.699 -5.681 29 HA CYS 4 HA CYS 4 -3.380 6.026 -7.620 30 HB2 CYS 4 1HB CYS 4 -5.111 6.962 -6.243 31 HB3 CYS 4 2HB CYS 4 -4.249 5.766 -5.283 32 HG CYS 4 HG CYS 4 -4.688 9.001 -4.722 33 H ALA 5 H ALA 5 -4.213 7.777 -8.791 34 HA ALA 5 HA ALA 5 -2.675 10.279 -8.529 35 HB1 ALA 5 3HB ALA 5 -2.523 8.575 -10.638 36 HB2 ALA 5 1HB ALA 5 -3.781 9.686 -11.181 37 HB3 ALA 5 2HB ALA 5 -2.195 10.306 -10.722 38 H MET 6 H MET 6 -3.775 12.215 -9.342 39 HA MET 6 HA MET 6 -6.686 12.039 -8.923 40 HB2 MET 6 1HB MET 6 -4.690 14.174 -8.216 41 HB3 MET 6 2HB MET 6 -6.404 14.542 -8.353 42 HG2 MET 6 1HG MET 6 -5.426 12.326 -6.595 43 HG3 MET 6 2HG MET 6 -5.449 13.999 -6.042 44 HE1 MET 6 3HE MET 6 -6.639 12.241 -4.330 45 HE2 MET 6 1HE MET 6 -8.400 12.222 -4.226 46 HE3 MET 6 2HE MET 6 -7.562 11.014 -5.199 47 H TYR 7 H TYR 7 -8.002 12.696 -10.507 48 HA TYR 7 HA TYR 7 -6.795 14.103 -12.798 49 HB2 TYR 7 1HB TYR 7 -7.786 11.646 -12.961 50 HB3 TYR 7 2HB TYR 7 -9.305 12.522 -13.115 51 HD1 TYR 7 HD2 TYR 7 -8.953 14.691 -14.800 52 HD2 TYR 7 HD1 TYR 7 -6.898 10.969 -14.969 53 HE1 TYR 7 HE2 TYR 7 -8.506 15.053 -17.191 54 HE2 TYR 7 HE1 TYR 7 -6.444 11.321 -17.360 55 HH TYR 7 HH TYR 7 -7.226 14.349 -18.952 56 H ASN 8 H ASN 8 -7.334 16.187 -12.621 57 HA ASN 8 HA ASN 8 -9.981 16.931 -11.642 58 HB2 ASN 8 1HB ASN 8 -7.935 18.079 -10.777 59 HB3 ASN 8 2HB ASN 8 -7.665 18.727 -12.392 60 HD21 ASN 8 1HD2 ASN 8 -7.868 20.845 -11.735 61 HD22 ASN 8 2HD2 ASN 8 -9.382 21.538 -11.274 62 H ILE 9 H ILE 9 -11.477 16.719 -13.208 63 HA ILE 9 HA ILE 9 -10.887 17.852 -15.858 64 HB ILE 9 HB ILE 9 -11.559 15.498 -15.895 65 HG12 ILE 9 1HG1 ILE 9 -13.680 17.359 -16.990 66 HG13 ILE 9 2HG1 ILE 9 -12.165 16.944 -17.785 67 HG21 ILE 9 1HG2 ILE 9 -14.191 16.411 -14.747 68 HG22 ILE 9 2HG2 ILE 9 -13.725 14.764 -15.168 69 HG23 ILE 9 3HG2 ILE 9 -12.932 15.589 -13.826 70 HD11 ILE 9 3HD1 ILE 9 -14.657 15.622 -17.930 71 HD12 ILE 9 1HD1 ILE 9 -13.143 15.208 -18.733 72 HD13 ILE 9 2HD1 ILE 9 -13.512 14.534 -17.145 73 H SER 10 H SER 10 -11.903 19.633 -16.515 74 HA SER 10 HA SER 10 -14.388 20.433 -15.167 75 HB2 SER 10 1HB SER 10 -12.321 21.649 -14.276 76 HB3 SER 10 2HB SER 10 -12.228 22.424 -15.857 77 HG SER 10 HG SER 10 -13.502 23.442 -14.013 78 H MET 11 H MET 11 -15.866 20.348 -16.731 79 HA MET 11 HA MET 11 -15.290 20.674 -19.487 80 HB2 MET 11 1HB MET 11 -17.254 19.426 -18.330 81 HB3 MET 11 2HB MET 11 -18.041 20.998 -18.330 82 HG2 MET 11 1HG MET 11 -16.890 20.090 -20.893 83 HG3 MET 11 2HG MET 11 -18.307 19.225 -20.303 84 HE1 MET 11 3HE MET 11 -20.483 20.985 -22.498 85 HE2 MET 11 1HE MET 11 -18.884 21.149 -23.224 86 HE3 MET 11 2HE MET 11 -19.306 19.679 -22.346 87 H ALA 12 H ALA 12 -15.893 22.350 -20.904 88 HA ALA 12 HA ALA 12 -15.299 24.930 -20.129 89 HB1 ALA 12 3HB ALA 12 -16.614 23.720 -22.490 90 HB2 ALA 12 1HB ALA 12 -16.794 25.461 -22.271 91 HB3 ALA 12 2HB ALA 12 -15.185 24.748 -22.388 92 H GLY 13 H GLY 13 -16.308 26.130 -18.655 93 HA2 GLY 13 1HA GLY 13 -18.014 27.446 -17.793 94 HA3 GLY 13 2HA GLY 13 -19.106 26.756 -18.984 95 H SER 14 H SER 14 -17.140 25.150 -16.503 96 HA SER 14 HA SER 14 -19.418 24.592 -14.844 97 HB2 SER 14 1HB SER 14 -18.103 22.224 -16.183 98 HB3 SER 14 2HB SER 14 -19.526 22.221 -15.141 99 HG SER 14 HG SER 14 -20.731 22.804 -16.777 100 H HIS 15 H HIS 15 -18.833 24.004 -12.798 101 HA HIS 15 HA HIS 15 -16.311 24.591 -11.848 102 HB2 HIS 15 1HB HIS 15 -17.016 23.180 -9.826 103 HB3 HIS 15 2HB HIS 15 -18.052 24.536 -10.262 104 HD1 HIS 15 HD1 HIS 15 -17.899 20.789 -10.919 105 HD2 HIS 15 HD2 HIS 15 -20.661 23.856 -10.445 106 HE1 HIS 15 HE1 HIS 15 -20.155 19.679 -10.988 107 HA PRO 16 HA PRO 16 -13.693 21.165 -12.653 108 HB2 PRO 16 1HB PRO 16 -12.177 21.085 -10.402 109 HB3 PRO 16 2HB PRO 16 -12.011 22.347 -11.628 110 HG2 PRO 16 1HG PRO 16 -13.475 22.421 -9.018 111 HG3 PRO 16 2HG PRO 16 -12.435 23.655 -9.753 112 HD2 PRO 16 1HD PRO 16 -15.138 23.782 -9.850 113 HD3 PRO 16 2HD PRO 16 -14.105 24.411 -11.150 114 H THR 17 H THR 17 -13.316 18.979 -12.182 115 HA THR 17 HA THR 17 -14.912 17.847 -9.981 116 HB THR 17 HB THR 17 -14.694 16.753 -12.792 117 HG1 THR 17 HG1 THR 17 -16.280 18.258 -12.812 118 HG21 THR 17 3HG2 THR 17 -16.614 15.287 -11.506 119 HG22 THR 17 1HG2 THR 17 -15.402 15.496 -10.243 120 HG23 THR 17 2HG2 THR 17 -14.954 14.761 -11.782 121 H THR 18 H THR 18 -13.660 16.787 -8.606 122 HA THR 18 HA THR 18 -11.003 15.934 -9.382 123 HB THR 18 HB THR 18 -12.211 15.382 -6.691 124 HG1 THR 18 HG1 THR 18 -12.502 17.462 -6.461 125 HG21 THR 18 3HG2 THR 18 -9.451 15.937 -7.755 126 HG22 THR 18 1HG2 THR 18 -10.037 14.491 -6.934 127 HG23 THR 18 2HG2 THR 18 -9.827 15.992 -6.033 128 H ILE 19 H ILE 19 -10.880 14.081 -10.490 129 HA ILE 19 HA ILE 19 -12.521 11.805 -9.598 130 HB ILE 19 HB ILE 19 -11.101 12.024 -12.246 131 HG12 ILE 19 1HG1 ILE 19 -13.972 12.729 -11.600 132 HG13 ILE 19 2HG1 ILE 19 -12.708 13.874 -12.034 133 HG21 ILE 19 1HG2 ILE 19 -12.205 10.115 -12.863 134 HG22 ILE 19 2HG2 ILE 19 -11.993 9.813 -11.139 135 HG23 ILE 19 3HG2 ILE 19 -13.542 10.396 -11.748 136 HD11 ILE 19 3HD1 ILE 19 -13.681 11.660 -13.821 137 HD12 ILE 19 1HD1 ILE 19 -14.251 13.328 -13.886 138 HD13 ILE 19 2HD1 ILE 19 -12.563 12.958 -14.242 139 H CYS 20 H CYS 20 -11.426 10.514 -8.274 140 HA CYS 20 HA CYS 20 -8.549 10.311 -8.395 141 HB2 CYS 20 1HB CYS 20 -8.810 8.795 -6.460 142 HB3 CYS 20 2HB CYS 20 -9.640 10.328 -6.220 143 HG CYS 20 HG CYS 20 -10.864 7.240 -6.254 144 H VAL 21 H VAL 21 -7.384 8.763 -9.351 145 HA VAL 21 HA VAL 21 -8.705 6.274 -10.165 146 HB VAL 21 HB VAL 21 -6.918 7.833 -12.031 147 HG11 VAL 21 1HG1 VAL 21 -8.516 6.041 -13.441 148 HG12 VAL 21 2HG1 VAL 21 -6.794 5.879 -13.089 149 HG13 VAL 21 3HG1 VAL 21 -7.988 5.151 -12.014 150 HG21 VAL 21 3HG2 VAL 21 -9.920 7.700 -11.868 151 HG22 VAL 21 1HG2 VAL 21 -8.889 9.130 -11.844 152 HG23 VAL 21 2HG2 VAL 21 -9.059 8.191 -13.327 153 H VAL 22 H VAL 22 -7.400 4.475 -10.188 154 HA VAL 22 HA VAL 22 -5.142 4.451 -8.532 155 HB VAL 22 HB VAL 22 -5.791 2.371 -10.620 156 HG11 VAL 22 1HG1 VAL 22 -3.835 1.610 -9.773 157 HG12 VAL 22 2HG1 VAL 22 -4.007 2.515 -8.268 158 HG13 VAL 22 3HG1 VAL 22 -4.892 1.007 -8.498 159 HG21 VAL 22 3HG2 VAL 22 -7.180 3.109 -8.123 160 HG22 VAL 22 1HG2 VAL 22 -7.792 2.310 -9.572 161 HG23 VAL 22 2HG2 VAL 22 -6.890 1.387 -8.370 162 H MET 23 H MET 23 -2.935 4.085 -8.994 163 HA MET 23 HA MET 23 -1.795 5.692 -10.933 164 HB2 MET 23 1HB MET 23 -0.637 4.778 -8.919 165 HB3 MET 23 2HB MET 23 -0.535 3.221 -9.731 166 HG2 MET 23 1HG MET 23 0.547 5.595 -11.140 167 HG3 MET 23 2HG MET 23 1.449 4.962 -9.765 168 HE1 MET 23 3HE MET 23 3.186 1.942 -10.979 169 HE2 MET 23 1HE MET 23 3.131 3.353 -9.923 170 HE3 MET 23 2HE MET 23 1.954 2.056 -9.721 171 H ASP 24 H ASP 24 -2.200 2.155 -11.013 172 HA ASP 24 HA ASP 24 -1.165 1.846 -13.633 173 HB2 ASP 24 1HB ASP 24 -1.395 0.042 -11.860 174 HB3 ASP 24 2HB ASP 24 -3.108 -0.019 -12.269 175 H ARG 25 H ARG 25 -4.279 2.713 -12.389 176 HA ARG 25 HA ARG 25 -5.603 2.238 -14.939 177 HB2 ARG 25 1HB ARG 25 -6.634 1.828 -12.609 178 HB3 ARG 25 2HB ARG 25 -6.840 3.573 -12.545 179 HG2 ARG 25 1HG ARG 25 -8.876 2.914 -13.357 180 HG3 ARG 25 2HG ARG 25 -8.002 3.230 -14.857 181 HD2 ARG 25 1HD ARG 25 -9.211 1.133 -15.013 182 HD3 ARG 25 2HD ARG 25 -7.473 0.839 -15.034 183 HE ARG 25 HE ARG 25 -8.587 0.654 -12.407 184 HH11 ARG 25 1HH1 ARG 25 -8.092 -1.065 -15.394 185 HH12 ARG 25 2HH1 ARG 25 -8.153 -2.631 -14.655 186 HH21 ARG 25 1HH2 ARG 25 -8.670 -1.402 -11.422 187 HH22 ARG 25 2HH2 ARG 25 -8.482 -2.821 -12.395 188 H PHE 26 H PHE 26 -3.582 4.515 -13.907 189 HA PHE 26 HA PHE 26 -4.890 6.960 -14.356 190 HB2 PHE 26 1HB PHE 26 -2.741 6.896 -13.244 191 HB3 PHE 26 2HB PHE 26 -1.979 6.207 -14.673 192 HD1 PHE 26 HD1 PHE 26 -1.585 7.585 -16.657 193 HD2 PHE 26 HD2 PHE 26 -3.198 9.234 -13.080 194 HE1 PHE 26 HE1 PHE 26 -1.053 9.848 -17.464 195 HE2 PHE 26 HE2 PHE 26 -2.669 11.499 -13.881 196 HZ PHE 26 HZ PHE 26 -1.596 11.808 -16.076 197 H LEU 27 H LEU 27 -2.803 5.070 -16.544 198 HA LEU 27 HA LEU 27 -3.072 6.671 -18.799 199 HB2 LEU 27 1HB LEU 27 -1.445 4.862 -18.606 200 HB3 LEU 27 2HB LEU 27 -2.748 3.677 -18.654 201 HG LEU 27 HG LEU 27 -3.213 4.184 -20.948 202 HD11 LEU 27 1HD1 LEU 27 -2.929 6.284 -21.626 203 HD12 LEU 27 2HD1 LEU 27 -1.223 5.889 -21.826 204 HD13 LEU 27 3HD1 LEU 27 -1.785 6.630 -20.328 205 HD21 LEU 27 3HD2 LEU 27 -0.347 4.163 -21.338 206 HD22 LEU 27 1HD2 LEU 27 -1.538 2.900 -21.652 207 HD23 LEU 27 2HD2 LEU 27 -0.836 3.068 -20.043 208 H GLU 28 H GLU 28 -5.058 3.926 -17.744 209 HA GLU 28 HA GLU 28 -6.767 3.806 -19.947 210 HB2 GLU 28 1HB GLU 28 -6.530 2.247 -17.860 211 HB3 GLU 28 2HB GLU 28 -7.778 3.279 -17.176 212 HG2 GLU 28 1HG GLU 28 -9.384 2.530 -18.608 213 HG3 GLU 28 2HG GLU 28 -8.228 2.154 -19.885 214 H SER 29 H SER 29 -7.155 5.578 -16.887 215 HA SER 29 HA SER 29 -9.635 6.724 -17.398 216 HB2 SER 29 1HB SER 29 -8.937 7.033 -15.211 217 HB3 SER 29 2HB SER 29 -7.302 7.493 -15.687 218 HG SER 29 HG SER 29 -9.520 9.116 -16.324 219 H PHE 30 H PHE 30 -6.399 8.028 -18.086 220 HA PHE 30 HA PHE 30 -7.239 10.438 -19.243 221 HB2 PHE 30 1HB PHE 30 -4.875 9.721 -18.524 222 HB3 PHE 30 2HB PHE 30 -4.762 8.960 -20.108 223 HD1 PHE 30 HD2 PHE 30 -4.755 10.318 -22.141 224 HD2 PHE 30 HD1 PHE 30 -4.799 12.096 -18.274 225 HE1 PHE 30 HE2 PHE 30 -4.079 12.469 -23.126 226 HE2 PHE 30 HE1 PHE 30 -4.123 14.250 -19.253 227 HZ PHE 30 HZ PHE 30 -3.761 14.438 -21.681 228 H SER 31 H SER 31 -6.621 7.264 -20.676 229 HA SER 31 HA SER 31 -6.876 7.954 -23.365 230 HB2 SER 31 1HB SER 31 -6.155 5.712 -22.314 231 HB3 SER 31 2HB SER 31 -7.877 5.336 -22.259 232 HG SER 31 HG SER 31 -6.165 5.354 -24.382 233 H GLU 32 H GLU 32 -9.367 6.784 -21.105 234 HA GLU 32 HA GLU 32 -11.499 6.997 -22.964 235 HB2 GLU 32 1HB GLU 32 -11.296 6.628 -20.004 236 HB3 GLU 32 2HB GLU 32 -12.854 7.040 -20.705 237 HG2 GLU 32 1HG GLU 32 -12.452 4.601 -20.371 238 HG3 GLU 32 2HG GLU 32 -12.889 5.067 -22.014 239 H LEU 33 H LEU 33 -9.997 9.228 -20.748 240 HA LEU 33 HA LEU 33 -12.047 11.161 -20.643 241 HB2 LEU 33 1HB LEU 33 -9.861 10.897 -19.253 242 HB3 LEU 33 2HB LEU 33 -9.151 11.893 -20.522 243 HG LEU 33 HG LEU 33 -9.793 13.206 -18.553 244 HD11 LEU 33 1HD1 LEU 33 -10.420 14.980 -19.794 245 HD12 LEU 33 2HD1 LEU 33 -11.762 14.119 -20.547 246 HD13 LEU 33 3HD1 LEU 33 -10.117 13.875 -21.135 247 HD21 LEU 33 3HD2 LEU 33 -11.692 12.827 -17.473 248 HD22 LEU 33 1HD2 LEU 33 -12.125 11.605 -18.669 249 HD23 LEU 33 2HD2 LEU 33 -12.615 13.282 -18.906 250 H TYR 34 H TYR 34 -9.234 10.803 -22.773 251 HA TYR 34 HA TYR 34 -9.539 13.168 -24.227 252 HB2 TYR 34 1HB TYR 34 -7.508 11.948 -24.466 253 HB3 TYR 34 2HB TYR 34 -8.359 10.494 -24.976 254 HD1 TYR 34 HD2 TYR 34 -7.926 14.053 -26.039 255 HD2 TYR 34 HD1 TYR 34 -8.385 9.994 -27.229 256 HE1 TYR 34 HE2 TYR 34 -7.636 14.715 -28.389 257 HE2 TYR 34 HE1 TYR 34 -8.095 10.645 -29.583 258 HH TYR 34 HH TYR 34 -8.540 13.307 -30.823 259 H ASP 35 H ASP 35 -11.380 10.270 -24.263 260 HA ASP 35 HA ASP 35 -12.539 10.777 -26.878 261 HB2 ASP 35 1HB ASP 35 -12.298 8.515 -25.149 262 HB3 ASP 35 2HB ASP 35 -14.008 8.794 -25.465 263 H ILE 36 H ILE 36 -13.836 10.398 -23.574 264 HA ILE 36 HA ILE 36 -16.398 11.353 -24.109 265 HB ILE 36 HB ILE 36 -15.835 10.189 -22.032 266 HG12 ILE 36 1HG1 ILE 36 -16.843 12.978 -21.438 267 HG13 ILE 36 2HG1 ILE 36 -17.820 11.719 -22.186 268 HG21 ILE 36 1HG2 ILE 36 -14.470 11.039 -20.362 269 HG22 ILE 36 2HG2 ILE 36 -13.619 11.507 -21.833 270 HG23 ILE 36 3HG2 ILE 36 -14.592 12.692 -20.963 271 HD11 ILE 36 3HD1 ILE 36 -16.528 11.461 -19.484 272 HD12 ILE 36 1HD1 ILE 36 -18.186 12.002 -19.747 273 HD13 ILE 36 2HD1 ILE 36 -17.703 10.372 -20.221 274 H ILE 37 H ILE 37 -13.436 13.074 -23.327 275 HA ILE 37 HA ILE 37 -14.561 15.600 -22.811 276 HB ILE 37 HB ILE 37 -12.189 14.918 -22.328 277 HG12 ILE 37 1HG1 ILE 37 -11.357 17.271 -23.417 278 HG13 ILE 37 2HG1 ILE 37 -13.104 17.476 -23.480 279 HG21 ILE 37 1HG2 ILE 37 -11.571 15.701 -25.154 280 HG22 ILE 37 2HG2 ILE 37 -10.550 14.869 -23.982 281 HG23 ILE 37 3HG2 ILE 37 -11.908 14.024 -24.723 282 HD11 ILE 37 3HD1 ILE 37 -12.251 16.448 -20.922 283 HD12 ILE 37 1HD1 ILE 37 -11.447 17.966 -21.321 284 HD13 ILE 37 2HD1 ILE 37 -13.209 17.878 -21.305 285 H ASP 38 H ASP 38 -13.855 13.917 -25.775 286 HA ASP 38 HA ASP 38 -13.801 16.061 -27.567 287 HB2 ASP 38 1HB ASP 38 -13.328 13.538 -27.956 288 HB3 ASP 38 2HB ASP 38 -15.057 13.425 -28.276 289 H GLU 39 H GLU 39 -16.435 14.578 -25.877 290 HA GLU 39 HA GLU 39 -18.377 16.074 -27.498 291 HB2 GLU 39 1HB GLU 39 -18.932 13.909 -25.465 292 HB3 GLU 39 2HB GLU 39 -20.079 14.618 -26.593 293 HG2 GLU 39 1HG GLU 39 -17.657 13.022 -27.393 294 HG3 GLU 39 2HG GLU 39 -19.291 12.376 -27.257 295 H ASN 40 H ASN 40 -20.436 16.477 -25.872 296 HA ASN 40 HA ASN 40 -19.360 17.972 -23.574 297 HB2 ASN 40 1HB ASN 40 -21.182 19.671 -24.045 298 HB3 ASN 40 2HB ASN 40 -19.860 19.633 -25.208 299 HD21 ASN 40 1HD2 ASN 40 -23.214 19.153 -24.683 300 HD22 ASN 40 2HD2 ASN 40 -23.649 18.817 -26.321 301 H ASP 41 H ASP 41 -20.568 15.313 -23.712 302 HA ASP 41 HA ASP 41 -23.251 15.473 -22.748 303 HB2 ASP 41 1HB ASP 41 -21.453 13.123 -22.244 304 HB3 ASP 41 2HB ASP 41 -23.182 13.145 -22.577 305 H THR 42 H THR 42 -23.648 16.490 -20.885 306 HA THR 42 HA THR 42 -21.772 16.379 -18.681 307 HB THR 42 HB THR 42 -24.493 17.581 -18.393 308 HG1 THR 42 HG1 THR 42 -22.352 18.698 -19.911 309 HG21 THR 42 3HG2 THR 42 -22.131 17.567 -16.903 310 HG22 THR 42 1HG2 THR 42 -23.552 18.573 -16.629 311 HG23 THR 42 2HG2 THR 42 -22.219 19.180 -17.611 312 H ASP 43 H ASP 43 -24.826 14.951 -19.591 313 HA ASP 43 HA ASP 43 -25.507 13.956 -17.010 314 HB2 ASP 43 1HB ASP 43 -27.237 12.724 -18.116 315 HB3 ASP 43 2HB ASP 43 -27.118 14.289 -18.915 316 H VAL 44 H VAL 44 -23.389 12.902 -19.521 317 HA VAL 44 HA VAL 44 -23.234 10.177 -18.524 318 HB VAL 44 HB VAL 44 -21.585 11.516 -20.673 319 HG11 VAL 44 1HG1 VAL 44 -20.346 9.663 -20.105 320 HG12 VAL 44 2HG1 VAL 44 -21.764 8.725 -19.633 321 HG13 VAL 44 3HG1 VAL 44 -21.411 8.992 -21.341 322 HG21 VAL 44 3HG2 VAL 44 -23.106 10.084 -22.165 323 HG22 VAL 44 1HG2 VAL 44 -24.179 10.011 -20.767 324 HG23 VAL 44 2HG2 VAL 44 -23.776 11.569 -21.489 325 H MET 45 H MET 45 -21.650 13.190 -18.071 326 HA MET 45 HA MET 45 -19.064 12.468 -17.410 327 HB2 MET 45 1HB MET 45 -20.889 14.649 -16.470 328 HB3 MET 45 2HB MET 45 -19.321 14.441 -15.702 329 HG2 MET 45 1HG MET 45 -19.615 14.708 -18.673 330 HG3 MET 45 2HG MET 45 -19.482 16.107 -17.610 331 HE1 MET 45 3HE MET 45 -17.195 15.052 -15.375 332 HE2 MET 45 1HE MET 45 -15.967 15.996 -16.219 333 HE3 MET 45 2HE MET 45 -17.617 16.608 -16.093 334 H MET 46 H MET 46 -21.877 12.669 -15.229 335 HA MET 46 HA MET 46 -20.662 11.880 -12.879 336 HB2 MET 46 1HB MET 46 -22.925 11.005 -12.227 337 HB3 MET 46 2HB MET 46 -22.920 12.657 -12.830 338 HG2 MET 46 1HG MET 46 -23.562 11.703 -15.077 339 HG3 MET 46 2HG MET 46 -23.835 10.174 -14.244 340 HE1 MET 46 3HE MET 46 -27.012 10.101 -13.012 341 HE2 MET 46 1HE MET 46 -25.337 9.593 -12.787 342 HE3 MET 46 2HE MET 46 -26.081 10.710 -11.643 343 H ASP 47 H ASP 47 -22.112 9.823 -15.386 344 HA ASP 47 HA ASP 47 -21.702 7.358 -14.139 345 HB2 ASP 47 1HB ASP 47 -22.972 8.019 -16.352 346 HB3 ASP 47 2HB ASP 47 -21.439 7.598 -17.109 347 H PHE 48 H PHE 48 -19.585 9.248 -16.247 348 HA PHE 48 HA PHE 48 -17.533 7.314 -16.451 349 HB2 PHE 48 1HB PHE 48 -17.569 9.068 -18.065 350 HB3 PHE 48 2HB PHE 48 -17.549 10.309 -16.816 351 HD1 PHE 48 HD2 PHE 48 -15.519 7.614 -18.346 352 HD2 PHE 48 HD1 PHE 48 -15.534 11.187 -16.033 353 HE1 PHE 48 HE2 PHE 48 -13.065 7.718 -18.496 354 HE2 PHE 48 HE1 PHE 48 -13.080 11.297 -16.180 355 HZ PHE 48 HZ PHE 48 -11.843 9.560 -17.411 356 H ILE 49 H ILE 49 -17.951 10.122 -14.317 357 HA ILE 49 HA ILE 49 -15.548 9.947 -12.927 358 HB ILE 49 HB ILE 49 -18.229 10.839 -11.859 359 HG12 ILE 49 1HG1 ILE 49 -16.020 12.627 -12.839 360 HG13 ILE 49 2HG1 ILE 49 -17.196 11.954 -13.963 361 HG21 ILE 49 1HG2 ILE 49 -17.211 11.076 -9.901 362 HG22 ILE 49 2HG2 ILE 49 -15.675 10.553 -10.590 363 HG23 ILE 49 3HG2 ILE 49 -16.133 12.255 -10.646 364 HD11 ILE 49 3HD1 ILE 49 -18.995 13.040 -12.797 365 HD12 ILE 49 1HD1 ILE 49 -17.885 13.619 -11.556 366 HD13 ILE 49 2HD1 ILE 49 -17.756 14.226 -13.207 367 H SER 50 H SER 50 -18.682 8.448 -12.173 368 HA SER 50 HA SER 50 -17.693 7.082 -9.865 369 HB2 SER 50 1HB SER 50 -20.223 6.737 -11.486 370 HB3 SER 50 2HB SER 50 -19.882 5.849 -10.001 371 HG SER 50 HG SER 50 -20.364 8.599 -10.361 372 H ARG 51 H ARG 51 -17.863 6.386 -13.259 373 HA ARG 51 HA ARG 51 -17.645 3.575 -13.141 374 HB2 ARG 51 1HB ARG 51 -18.320 4.631 -15.193 375 HB3 ARG 51 2HB ARG 51 -16.826 5.556 -15.267 376 HG2 ARG 51 1HG ARG 51 -16.706 3.768 -16.848 377 HG3 ARG 51 2HG ARG 51 -15.582 3.429 -15.531 378 HD2 ARG 51 1HD ARG 51 -18.343 2.348 -15.332 379 HD3 ARG 51 2HD ARG 51 -17.236 1.587 -16.473 380 HE ARG 51 HE ARG 51 -17.124 1.466 -13.598 381 HH11 ARG 51 1HH1 ARG 51 -15.339 1.131 -16.568 382 HH12 ARG 51 2HH1 ARG 51 -14.129 0.102 -15.877 383 HH21 ARG 51 1HH2 ARG 51 -15.536 0.112 -12.676 384 HH22 ARG 51 2HH2 ARG 51 -14.242 -0.478 -13.663 385 H PHE 52 H PHE 52 -15.187 6.121 -13.480 386 HA PHE 52 HA PHE 52 -13.051 4.168 -13.236 387 HB2 PHE 52 1HB PHE 52 -13.247 7.036 -13.976 388 HB3 PHE 52 2HB PHE 52 -11.742 6.516 -13.223 389 HD1 PHE 52 HD2 PHE 52 -10.350 4.792 -14.306 390 HD2 PHE 52 HD1 PHE 52 -13.802 6.412 -16.197 391 HE1 PHE 52 HE2 PHE 52 -9.567 3.926 -16.471 392 HE2 PHE 52 HE1 PHE 52 -13.024 5.548 -18.365 393 HZ PHE 52 HZ PHE 52 -10.903 4.304 -18.505 394 H ALA 53 H ALA 53 -14.034 7.129 -11.509 395 HA ALA 53 HA ALA 53 -12.321 6.581 -9.281 396 HB1 ALA 53 3HB ALA 53 -14.425 8.444 -8.661 397 HB2 ALA 53 1HB ALA 53 -12.689 8.719 -8.809 398 HB3 ALA 53 2HB ALA 53 -13.720 8.801 -10.238 399 H ARG 54 H ARG 54 -12.759 4.806 -8.107 400 HA ARG 54 HA ARG 54 -15.513 4.480 -7.107 401 HB2 ARG 54 1HB ARG 54 -14.721 2.686 -8.687 402 HB3 ARG 54 2HB ARG 54 -13.495 2.268 -7.498 403 HG2 ARG 54 1HG ARG 54 -15.254 0.742 -7.183 404 HG3 ARG 54 2HG ARG 54 -15.384 1.905 -5.862 405 HD2 ARG 54 1HD ARG 54 -17.272 2.898 -6.747 406 HD3 ARG 54 2HD ARG 54 -16.911 2.360 -8.387 407 HE ARG 54 HE ARG 54 -17.380 0.077 -6.903 408 HH11 ARG 54 1HH1 ARG 54 -19.138 2.939 -7.819 409 HH12 ARG 54 2HH1 ARG 54 -20.682 2.154 -7.803 410 HH21 ARG 54 1HH2 ARG 54 -19.408 -0.968 -6.878 411 HH22 ARG 54 2HH2 ARG 54 -20.835 -0.068 -7.266 412 H THR 55 H THR 55 -15.796 4.403 -4.958 413 HA THR 55 HA THR 55 -13.381 4.449 -3.274 414 HB THR 55 HB THR 55 -14.823 5.562 -1.566 415 HG1 THR 55 HG1 THR 55 -16.816 6.493 -2.514 416 HG21 THR 55 3HG2 THR 55 -13.389 6.761 -3.325 417 HG22 THR 55 1HG2 THR 55 -14.622 7.708 -2.492 418 HG23 THR 55 2HG2 THR 55 -14.915 7.125 -4.131 419 H ASP 56 H ASP 56 -13.287 2.136 -3.207 420 HA ASP 56 HA ASP 56 -15.473 0.803 -1.785 421 HB2 ASP 56 1HB ASP 56 -14.772 -0.369 -3.756 422 HB3 ASP 56 2HB ASP 56 -13.079 -0.268 -3.283 423 H GLU 57 H GLU 57 -11.909 0.621 -1.689 424 HA GLU 57 HA GLU 57 -12.026 0.826 1.230 425 HB2 GLU 57 1HB GLU 57 -10.926 -1.462 -0.356 426 HB3 GLU 57 2HB GLU 57 -10.168 -1.028 1.170 427 HG2 GLU 57 1HG GLU 57 -13.118 -1.421 1.071 428 HG3 GLU 57 2HG GLU 57 -12.054 -2.827 1.080 429 H ILE 58 H ILE 58 -10.919 2.658 1.532 430 HA ILE 58 HA ILE 58 -8.397 3.034 0.065 431 HB ILE 58 HB ILE 58 -10.035 5.101 1.537 432 HG12 ILE 58 1HG1 ILE 58 -9.692 4.734 -1.444 433 HG13 ILE 58 2HG1 ILE 58 -11.093 4.166 -0.541 434 HG21 ILE 58 1HG2 ILE 58 -7.825 5.858 1.576 435 HG22 ILE 58 2HG2 ILE 58 -7.489 5.238 -0.040 436 HG23 ILE 58 3HG2 ILE 58 -8.525 6.650 0.165 437 HD11 ILE 58 3HD1 ILE 58 -10.675 6.904 0.082 438 HD12 ILE 58 1HD1 ILE 58 -10.640 6.711 -1.670 439 HD13 ILE 58 2HD1 ILE 58 -12.036 6.150 -0.749 440 H MET 59 H MET 59 -6.562 2.743 1.134 441 HA MET 59 HA MET 59 -6.622 2.794 4.072 442 HB2 MET 59 1HB MET 59 -5.078 1.229 2.068 443 HB3 MET 59 2HB MET 59 -4.267 1.634 3.575 444 HG2 MET 59 1HG MET 59 -5.171 -0.370 4.142 445 HG3 MET 59 2HG MET 59 -6.480 0.701 4.636 446 HE1 MET 59 3HE MET 59 -7.023 -2.380 4.225 447 HE2 MET 59 1HE MET 59 -8.251 -1.189 4.652 448 HE3 MET 59 2HE MET 59 -8.535 -2.309 3.320 449 HA PRO 60 HA PRO 60 -3.942 6.257 4.335 450 HB2 PRO 60 1HB PRO 60 -2.295 5.574 6.383 451 HB3 PRO 60 2HB PRO 60 -3.993 6.006 6.619 452 HG2 PRO 60 1HG PRO 60 -2.730 3.296 6.481 453 HG3 PRO 60 2HG PRO 60 -3.972 3.896 7.594 454 HD2 PRO 60 1HD PRO 60 -4.562 2.360 5.444 455 HD3 PRO 60 2HD PRO 60 -5.667 3.606 6.059 456 H GLU 61 H GLU 61 -2.534 3.112 3.858 457 HA GLU 61 HA GLU 61 0.154 3.881 3.494 458 HB2 GLU 61 1HB GLU 61 -1.487 1.513 2.683 459 HB3 GLU 61 2HB GLU 61 0.124 1.713 2.007 460 HG2 GLU 61 1HG GLU 61 -0.268 1.879 4.958 461 HG3 GLU 61 2HG GLU 61 -0.229 0.307 4.162 462 H ASP 62 H ASP 62 -2.637 4.072 1.449 463 HA ASP 62 HA ASP 62 -1.539 4.146 -1.083 464 HB2 ASP 62 1HB ASP 62 -3.992 4.285 -0.443 465 HB3 ASP 62 2HB ASP 62 -3.732 6.005 -0.164 466 H LYS 63 H LYS 63 -0.404 5.581 -2.272 467 HA LYS 63 HA LYS 63 0.190 8.200 -1.064 468 HB2 LYS 63 1HB LYS 63 2.076 6.554 -0.813 469 HB3 LYS 63 2HB LYS 63 2.188 6.504 -2.567 470 HG2 LYS 63 1HG LYS 63 2.845 8.779 -2.679 471 HG3 LYS 63 2HG LYS 63 2.455 9.040 -0.977 472 HD2 LYS 63 1HD LYS 63 4.346 7.969 -0.239 473 HD3 LYS 63 2HD LYS 63 4.457 6.947 -1.674 474 HE2 LYS 63 1HE LYS 63 6.222 8.402 -1.984 475 HE3 LYS 63 2HE LYS 63 4.938 9.187 -2.904 476 HZ1 LYS 63 3HZ LYS 63 6.438 10.342 -0.948 477 HZ2 LYS 63 1HZ LYS 63 4.980 9.999 -0.160 478 HZ3 LYS 63 2HZ LYS 63 4.981 10.944 -1.563 479 H THR 64 H THR 64 0.591 9.906 -2.513 480 HA THR 64 HA THR 64 -0.926 9.816 -4.906 481 HB THR 64 HB THR 64 1.091 11.976 -4.464 482 HG1 THR 64 HG1 THR 64 0.351 11.975 -2.431 483 HG21 THR 64 3HG2 THR 64 -1.248 11.578 -6.033 484 HG22 THR 64 1HG2 THR 64 -0.183 12.982 -5.988 485 HG23 THR 64 2HG2 THR 64 -1.566 12.889 -4.896 486 H VAL 65 H VAL 65 -0.310 9.753 -7.034 487 HA VAL 65 HA VAL 65 2.512 9.064 -7.543 488 HB VAL 65 HB VAL 65 0.893 7.202 -7.917 489 HG11 VAL 65 1HG1 VAL 65 -0.060 8.434 -10.427 490 HG12 VAL 65 2HG1 VAL 65 -0.877 7.328 -9.321 491 HG13 VAL 65 3HG1 VAL 65 -0.770 9.045 -8.934 492 HG21 VAL 65 3HG2 VAL 65 1.678 7.290 -10.597 493 HG22 VAL 65 1HG2 VAL 65 2.899 8.213 -9.721 494 HG23 VAL 65 2HG2 VAL 65 2.548 6.549 -9.254 495 H GLY 66 H GLY 66 -0.174 11.069 -8.410 496 HA2 GLY 66 1HA GLY 66 1.256 13.078 -9.604 497 HA3 GLY 66 2HA GLY 66 0.889 11.969 -10.917 498 H PHE 67 H PHE 67 -0.054 14.482 -11.110 499 HA PHE 67 HA PHE 67 -2.939 14.079 -10.777 500 HB2 PHE 67 1HB PHE 67 -3.131 16.543 -10.222 501 HB3 PHE 67 2HB PHE 67 -2.429 15.534 -8.961 502 HD1 PHE 67 HD1 PHE 67 -1.661 17.987 -11.604 503 HD2 PHE 67 HD2 PHE 67 -0.222 15.885 -8.195 504 HE1 PHE 67 HE1 PHE 67 0.309 19.459 -11.533 505 HE2 PHE 67 HE2 PHE 67 1.750 17.353 -8.117 506 HZ PHE 67 HZ PHE 67 2.017 19.144 -9.787 507 H VAL 68 H VAL 68 -4.247 15.198 -12.295 508 HA VAL 68 HA VAL 68 -2.799 16.339 -14.590 509 HB VAL 68 HB VAL 68 -5.117 14.409 -14.761 510 HG11 VAL 68 1HG1 VAL 68 -5.514 15.520 -16.671 511 HG12 VAL 68 2HG1 VAL 68 -3.922 16.283 -16.675 512 HG13 VAL 68 3HG1 VAL 68 -4.114 14.635 -17.276 513 HG21 VAL 68 3HG2 VAL 68 -2.810 13.494 -14.182 514 HG22 VAL 68 1HG2 VAL 68 -3.616 12.801 -15.589 515 HG23 VAL 68 2HG2 VAL 68 -2.330 13.989 -15.805 516 H VAL 69 H VAL 69 -3.405 18.388 -14.774 517 HA VAL 69 HA VAL 69 -6.039 19.234 -13.863 518 HB VAL 69 HB VAL 69 -3.794 20.928 -14.966 519 HG11 VAL 69 1HG1 VAL 69 -5.054 22.684 -13.580 520 HG12 VAL 69 2HG1 VAL 69 -5.750 22.193 -15.125 521 HG13 VAL 69 3HG1 VAL 69 -6.401 21.547 -13.618 522 HG21 VAL 69 3HG2 VAL 69 -4.016 21.367 -12.228 523 HG22 VAL 69 1HG2 VAL 69 -4.097 19.615 -12.410 524 HG23 VAL 69 2HG2 VAL 69 -2.721 20.506 -13.060 525 H VAL 70 H VAL 70 -7.704 19.335 -15.204 526 HA VAL 70 HA VAL 70 -7.211 19.986 -18.032 527 HB VAL 70 HB VAL 70 -9.167 17.922 -17.008 528 HG11 VAL 70 1HG1 VAL 70 -10.322 18.479 -18.844 529 HG12 VAL 70 2HG1 VAL 70 -8.977 19.395 -19.527 530 HG13 VAL 70 3HG1 VAL 70 -9.044 17.643 -19.726 531 HG21 VAL 70 3HG2 VAL 70 -6.434 17.777 -18.086 532 HG22 VAL 70 1HG2 VAL 70 -7.310 16.649 -17.052 533 HG23 VAL 70 2HG2 VAL 70 -7.584 16.643 -18.794 534 H ASN 71 H ASN 71 -8.063 21.942 -18.323 535 HA ASN 71 HA ASN 71 -10.757 22.454 -17.248 536 HB2 ASN 71 1HB ASN 71 -8.511 24.461 -17.545 537 HB3 ASN 71 2HB ASN 71 -10.140 24.818 -16.978 538 HD21 ASN 71 1HD2 ASN 71 -7.292 24.817 -15.813 539 HD22 ASN 71 2HD2 ASN 71 -7.498 24.055 -14.276 540 H ALA 72 H ALA 72 -11.853 21.964 -19.119 541 HA ALA 72 HA ALA 72 -11.109 22.724 -21.713 542 HB1 ALA 72 3HB ALA 72 -13.762 22.000 -20.504 543 HB2 ALA 72 1HB ALA 72 -13.577 22.384 -22.215 544 HB3 ALA 72 2HB ALA 72 -12.711 21.013 -21.520 545 H ASP 73 H ASP 73 -12.638 24.488 -19.154 546 HA ASP 73 HA ASP 73 -13.938 26.491 -20.614 547 HB2 ASP 73 1HB ASP 73 -13.548 27.885 -18.512 548 HB3 ASP 73 2HB ASP 73 -14.411 26.365 -18.299 549 H LYS 74 H LYS 74 -10.663 26.495 -19.209 550 HA LYS 74 HA LYS 74 -10.002 28.835 -20.843 551 HB2 LYS 74 1HB LYS 74 -8.625 27.531 -18.496 552 HB3 LYS 74 2HB LYS 74 -7.882 28.813 -19.444 553 HG2 LYS 74 1HG LYS 74 -9.519 30.383 -18.780 554 HG3 LYS 74 2HG LYS 74 -10.549 29.123 -18.097 555 HD2 LYS 74 1HD LYS 74 -9.580 29.917 -16.183 556 HD3 LYS 74 2HD LYS 74 -8.410 28.668 -16.615 557 HE2 LYS 74 1HE LYS 74 -6.986 30.413 -16.254 558 HE3 LYS 74 2HE LYS 74 -7.322 30.660 -17.967 559 HZ1 LYS 74 3HZ LYS 74 -9.007 32.286 -17.363 560 HZ2 LYS 74 1HZ LYS 74 -7.500 32.723 -16.731 561 HZ3 LYS 74 2HZ LYS 74 -8.677 32.051 -15.721 562 H LYS 75 H LYS 75 -10.107 25.736 -21.453 563 HA LYS 75 HA LYS 75 -8.984 24.248 -22.764 564 HB2 LYS 75 1HB LYS 75 -7.883 26.804 -23.949 565 HB3 LYS 75 2HB LYS 75 -7.816 25.219 -24.709 566 HG2 LYS 75 1HG LYS 75 -10.126 25.167 -25.072 567 HG3 LYS 75 2HG LYS 75 -10.422 26.478 -23.928 568 HD2 LYS 75 1HD LYS 75 -9.219 28.020 -25.441 569 HD3 LYS 75 2HD LYS 75 -9.037 26.701 -26.600 570 HE2 LYS 75 1HE LYS 75 -11.659 27.805 -25.595 571 HE3 LYS 75 2HE LYS 75 -10.924 28.178 -27.153 572 HZ1 LYS 75 3HZ LYS 75 -12.316 26.499 -27.752 573 HZ2 LYS 75 1HZ LYS 75 -12.228 25.716 -26.254 574 HZ3 LYS 75 2HZ LYS 75 -10.954 25.576 -27.358 575 H LEU 76 H LEU 76 -7.790 24.440 -20.348 576 HA LEU 76 HA LEU 76 -4.908 24.535 -20.947 577 HB2 LEU 76 1HB LEU 76 -6.095 24.582 -18.193 578 HB3 LEU 76 2HB LEU 76 -4.478 25.064 -18.701 579 HG LEU 76 HG LEU 76 -7.001 26.560 -19.405 580 HD11 LEU 76 1HD1 LEU 76 -6.242 28.201 -17.735 581 HD12 LEU 76 2HD1 LEU 76 -4.965 27.089 -17.245 582 HD13 LEU 76 3HD1 LEU 76 -6.656 26.646 -17.013 583 HD21 LEU 76 3HD2 LEU 76 -4.224 27.656 -19.492 584 HD22 LEU 76 1HD2 LEU 76 -5.662 28.164 -20.378 585 HD23 LEU 76 2HD2 LEU 76 -4.825 26.679 -20.833 586 H MET 77 H MET 77 -3.855 22.667 -21.001 587 HA MET 77 HA MET 77 -4.947 20.388 -19.491 588 HB2 MET 77 1HB MET 77 -3.853 20.394 -22.305 589 HB3 MET 77 2HB MET 77 -4.119 18.928 -21.371 590 HG2 MET 77 1HG MET 77 -6.053 19.013 -22.568 591 HG3 MET 77 2HG MET 77 -6.537 19.893 -21.120 592 HE1 MET 77 3HE MET 77 -8.548 21.794 -22.263 593 HE2 MET 77 1HE MET 77 -8.485 21.520 -24.004 594 HE3 MET 77 2HE MET 77 -8.396 20.153 -22.893 595 H SER 78 H SER 78 -3.549 19.669 -18.037 596 HA SER 78 HA SER 78 -0.696 19.617 -18.682 597 HB2 SER 78 1HB SER 78 -1.624 20.627 -15.997 598 HB3 SER 78 2HB SER 78 -0.013 20.727 -16.708 599 HG SER 78 HG SER 78 -2.340 22.127 -17.528 600 H VAL 79 H VAL 79 0.326 17.834 -17.966 601 HA VAL 79 HA VAL 79 -1.062 16.132 -16.005 602 HB VAL 79 HB VAL 79 -0.407 14.135 -17.250 603 HG11 VAL 79 1HG1 VAL 79 -2.390 15.995 -17.994 604 HG12 VAL 79 2HG1 VAL 79 -1.726 15.329 -19.486 605 HG13 VAL 79 3HG1 VAL 79 -2.383 14.251 -18.254 606 HG21 VAL 79 3HG2 VAL 79 0.424 14.391 -19.590 607 HG22 VAL 79 1HG2 VAL 79 0.674 16.105 -19.259 608 HG23 VAL 79 2HG2 VAL 79 1.580 14.891 -18.355 609 H SER 80 H SER 80 0.183 15.360 -14.410 610 HA SER 80 HA SER 80 3.078 15.222 -14.758 611 HB2 SER 80 1HB SER 80 1.753 16.782 -12.526 612 HB3 SER 80 2HB SER 80 3.478 16.434 -12.638 613 HG SER 80 HG SER 80 2.629 18.544 -13.483 614 H PHE 81 H PHE 81 3.294 13.086 -14.429 615 HA PHE 81 HA PHE 81 2.687 12.058 -11.783 616 HB2 PHE 81 1HB PHE 81 1.498 10.093 -12.601 617 HB3 PHE 81 2HB PHE 81 0.652 11.557 -13.090 618 HD1 PHE 81 HD2 PHE 81 1.120 12.432 -15.464 619 HD2 PHE 81 HD1 PHE 81 2.046 8.484 -14.171 620 HE1 PHE 81 HE2 PHE 81 1.174 11.682 -17.806 621 HE2 PHE 81 HE1 PHE 81 2.102 7.728 -16.512 622 HZ PHE 81 HZ PHE 81 1.665 9.327 -18.333 623 H SER 82 H SER 82 3.920 10.247 -11.204 624 HA SER 82 HA SER 82 6.051 9.535 -13.112 625 HB2 SER 82 1HB SER 82 6.663 11.021 -11.070 626 HB3 SER 82 2HB SER 82 6.484 9.537 -10.136 627 HG SER 82 HG SER 82 8.538 10.324 -11.673 628 H ASP 83 H ASP 83 7.293 7.540 -11.779 629 HA ASP 83 HA ASP 83 7.212 5.312 -11.329 630 HB2 ASP 83 1HB ASP 83 4.384 5.585 -10.364 631 HB3 ASP 83 2HB ASP 83 5.669 4.544 -9.756 632 H ILE 84 H ILE 84 6.870 5.773 -13.892 633 HA ILE 84 HA ILE 84 4.818 3.830 -14.681 634 HB ILE 84 HB ILE 84 4.235 5.134 -16.657 635 HG12 ILE 84 1HG1 ILE 84 5.975 7.305 -15.469 636 HG13 ILE 84 2HG1 ILE 84 6.392 6.335 -16.877 637 HG21 ILE 84 1HG2 ILE 84 3.685 7.269 -14.828 638 HG22 ILE 84 2HG2 ILE 84 2.595 6.040 -15.468 639 HG23 ILE 84 3HG2 ILE 84 3.524 5.718 -14.004 640 HD11 ILE 84 3HD1 ILE 84 4.675 8.669 -16.651 641 HD12 ILE 84 1HD1 ILE 84 5.493 7.990 -18.058 642 HD13 ILE 84 2HD1 ILE 84 3.934 7.341 -17.546 643 H ASP 85 H ASP 85 5.203 3.557 -17.279 644 HA ASP 85 HA ASP 85 7.975 2.635 -17.455 645 HB2 ASP 85 1HB ASP 85 5.596 1.978 -19.206 646 HB3 ASP 85 2HB ASP 85 7.192 1.242 -19.318 647 H GLU 86 H GLU 86 9.235 2.998 -19.348 648 HA GLU 86 HA GLU 86 9.113 5.653 -20.308 649 HB2 GLU 86 1HB GLU 86 10.933 4.886 -21.874 650 HB3 GLU 86 2HB GLU 86 11.251 4.617 -20.166 651 HG2 GLU 86 1HG GLU 86 9.968 2.304 -21.135 652 HG3 GLU 86 2HG GLU 86 11.212 2.739 -22.306 653 H ASN 87 H ASN 87 8.111 2.562 -21.659 654 HA ASN 87 HA ASN 87 7.564 3.513 -24.274 655 HB2 ASN 87 1HB ASN 87 6.442 1.116 -22.805 656 HB3 ASN 87 2HB ASN 87 6.289 1.409 -24.535 657 HD21 ASN 87 1HD2 ASN 87 7.598 -0.747 -22.960 658 HD22 ASN 87 2HD2 ASN 87 9.216 -0.819 -23.562 659 H MET 88 H MET 88 5.588 3.127 -21.367 660 HA MET 88 HA MET 88 3.089 3.694 -22.457 661 HB2 MET 88 1HB MET 88 3.988 3.095 -19.972 662 HB3 MET 88 2HB MET 88 3.625 4.804 -19.770 663 HG2 MET 88 1HG MET 88 1.352 4.482 -20.341 664 HG3 MET 88 2HG MET 88 1.658 2.840 -20.904 665 HE1 MET 88 3HE MET 88 1.466 4.259 -16.540 666 HE2 MET 88 1HE MET 88 2.281 5.118 -17.847 667 HE3 MET 88 2HE MET 88 0.522 4.984 -17.842 668 H LYS 89 H LYS 89 5.750 5.794 -21.699 669 HA LYS 89 HA LYS 89 4.425 8.250 -21.525 670 HB2 LYS 89 1HB LYS 89 6.966 7.547 -21.214 671 HB3 LYS 89 2HB LYS 89 7.080 8.109 -22.877 672 HG2 LYS 89 1HG LYS 89 5.992 10.255 -22.073 673 HG3 LYS 89 2HG LYS 89 6.297 9.670 -20.436 674 HD2 LYS 89 1HD LYS 89 8.705 9.460 -21.023 675 HD3 LYS 89 2HD LYS 89 8.347 10.195 -22.588 676 HE2 LYS 89 1HE LYS 89 9.191 11.881 -21.083 677 HE3 LYS 89 2HE LYS 89 7.487 12.191 -21.412 678 HZ1 LYS 89 3HZ LYS 89 7.761 10.526 -19.141 679 HZ2 LYS 89 1HZ LYS 89 7.036 12.050 -19.263 680 HZ3 LYS 89 2HZ LYS 89 8.692 11.924 -18.940 681 H LYS 90 H LYS 90 5.137 6.237 -24.250 682 HA LYS 90 HA LYS 90 4.924 8.210 -26.278 683 HB2 LYS 90 1HB LYS 90 5.842 5.758 -26.365 684 HB3 LYS 90 2HB LYS 90 4.173 5.345 -26.736 685 HG2 LYS 90 1HG LYS 90 5.243 5.569 -28.809 686 HG3 LYS 90 2HG LYS 90 4.312 7.054 -28.602 687 HD2 LYS 90 1HD LYS 90 6.252 8.296 -28.039 688 HD3 LYS 90 2HD LYS 90 7.221 6.832 -27.858 689 HE2 LYS 90 1HE LYS 90 7.232 6.438 -30.186 690 HE3 LYS 90 2HE LYS 90 5.948 7.613 -30.468 691 HZ1 LYS 90 3HZ LYS 90 7.382 9.367 -30.256 692 HZ2 LYS 90 1HZ LYS 90 8.416 8.220 -30.948 693 HZ3 LYS 90 2HZ LYS 90 8.478 8.521 -29.285 694 H VAL 91 H VAL 91 2.606 5.738 -25.162 695 HA VAL 91 HA VAL 91 0.445 6.699 -26.708 696 HB VAL 91 HB VAL 91 0.414 4.435 -25.861 697 HG11 VAL 91 1HG1 VAL 91 0.275 5.677 -23.115 698 HG12 VAL 91 2HG1 VAL 91 0.108 3.957 -23.473 699 HG13 VAL 91 3HG1 VAL 91 1.636 4.781 -23.787 700 HG21 VAL 91 3HG2 VAL 91 -1.735 5.614 -26.243 701 HG22 VAL 91 1HG2 VAL 91 -1.847 4.332 -25.037 702 HG23 VAL 91 2HG2 VAL 91 -1.779 6.019 -24.527 703 H ILE 92 H ILE 92 1.595 7.448 -23.476 704 HA ILE 92 HA ILE 92 -0.692 8.930 -22.662 705 HB ILE 92 HB ILE 92 2.147 9.077 -21.642 706 HG12 ILE 92 1HG1 ILE 92 -0.114 7.709 -20.234 707 HG13 ILE 92 2HG1 ILE 92 0.714 6.873 -21.543 708 HG21 ILE 92 1HG2 ILE 92 1.495 10.764 -20.360 709 HG22 ILE 92 2HG2 ILE 92 -0.108 10.715 -21.094 710 HG23 ILE 92 3HG2 ILE 92 0.235 9.745 -19.662 711 HD11 ILE 92 3HD1 ILE 92 1.479 7.110 -18.835 712 HD12 ILE 92 1HD1 ILE 92 2.309 6.269 -20.144 713 HD13 ILE 92 2HD1 ILE 92 2.676 7.961 -19.810 714 H LYS 93 H LYS 93 2.460 9.855 -24.007 715 HA LYS 93 HA LYS 93 1.998 12.644 -23.952 716 HB2 LYS 93 1HB LYS 93 3.907 10.880 -25.463 717 HB3 LYS 93 2HB LYS 93 3.837 12.610 -25.775 718 HG2 LYS 93 1HG LYS 93 4.413 13.087 -23.479 719 HG3 LYS 93 2HG LYS 93 4.376 11.366 -23.085 720 HD2 LYS 93 1HD LYS 93 6.639 11.760 -23.383 721 HD3 LYS 93 2HD LYS 93 6.150 11.156 -24.968 722 HE2 LYS 93 1HE LYS 93 6.085 14.091 -24.424 723 HE3 LYS 93 2HE LYS 93 7.627 13.306 -24.764 724 HZ1 LYS 93 3HZ LYS 93 5.879 12.379 -26.680 725 HZ2 LYS 93 1HZ LYS 93 7.126 13.501 -26.899 726 HZ3 LYS 93 2HZ LYS 93 5.558 14.036 -26.562 727 H ALA 94 H ALA 94 1.375 10.150 -26.359 728 HA ALA 94 HA ALA 94 0.659 11.903 -28.469 729 HB1 ALA 94 3HB ALA 94 1.107 9.846 -29.321 730 HB2 ALA 94 1HB ALA 94 0.415 8.999 -27.937 731 HB3 ALA 94 2HB ALA 94 -0.643 9.690 -29.167 732 H THR 95 H THR 95 -1.298 10.043 -26.148 733 HA THR 95 HA THR 95 -3.800 10.966 -27.053 734 HB THR 95 HB THR 95 -3.027 9.969 -24.304 735 HG1 THR 95 HG1 THR 95 -3.616 7.981 -25.084 736 HG21 THR 95 3HG2 THR 95 -5.139 11.223 -24.281 737 HG22 THR 95 1HG2 THR 95 -5.406 9.503 -24.005 738 HG23 THR 95 2HG2 THR 95 -5.753 10.207 -25.584 739 H ALA 96 H ALA 96 -1.539 12.213 -24.656 740 HA ALA 96 HA ALA 96 -3.311 14.247 -23.690 741 HB1 ALA 96 3HB ALA 96 -1.371 13.207 -22.425 742 HB2 ALA 96 1HB ALA 96 -0.320 14.240 -23.395 743 HB3 ALA 96 2HB ALA 96 -1.528 14.961 -22.330 744 H GLU 97 H GLU 97 -0.900 14.009 -26.207 745 HA GLU 97 HA GLU 97 -0.669 16.827 -26.650 746 HB2 GLU 97 1HB GLU 97 1.172 15.462 -27.315 747 HB3 GLU 97 2HB GLU 97 0.135 14.419 -28.278 748 HG2 GLU 97 1HG GLU 97 0.076 15.852 -30.029 749 HG3 GLU 97 2HG GLU 97 0.207 17.283 -29.008 750 H LYS 98 H LYS 98 -2.624 14.228 -27.977 751 HA LYS 98 HA LYS 98 -3.647 15.454 -30.242 752 HB2 LYS 98 1HB LYS 98 -4.913 13.504 -28.318 753 HB3 LYS 98 2HB LYS 98 -5.689 14.005 -29.815 754 HG2 LYS 98 1HG LYS 98 -2.918 13.001 -30.028 755 HG3 LYS 98 2HG LYS 98 -4.169 11.824 -29.620 756 HD2 LYS 98 1HD LYS 98 -4.798 13.683 -31.828 757 HD3 LYS 98 2HD LYS 98 -3.525 12.502 -32.145 758 HE2 LYS 98 1HE LYS 98 -6.000 11.505 -30.860 759 HE3 LYS 98 2HE LYS 98 -6.118 11.993 -32.550 760 HZ1 LYS 98 3HZ LYS 98 -4.684 9.754 -31.359 761 HZ2 LYS 98 1HZ LYS 98 -3.927 10.527 -32.660 762 HZ3 LYS 98 2HZ LYS 98 -5.472 9.864 -32.852 763 H PHE 99 H PHE 99 -4.349 16.040 -26.891 764 HA PHE 99 HA PHE 99 -6.838 17.277 -27.079 765 HB2 PHE 99 1HB PHE 99 -4.559 17.414 -25.167 766 HB3 PHE 99 2HB PHE 99 -5.793 18.665 -25.056 767 HD1 PHE 99 HD1 PHE 99 -5.116 15.073 -24.743 768 HD2 PHE 99 HD2 PHE 99 -7.993 18.173 -24.261 769 HE1 PHE 99 HE1 PHE 99 -6.540 13.544 -23.443 770 HE2 PHE 99 HE2 PHE 99 -9.421 16.649 -22.960 771 HZ PHE 99 HZ PHE 99 -8.695 14.332 -22.549 772 H LYS 100 H LYS 100 -3.724 18.360 -28.080 773 HA LYS 100 HA LYS 100 -3.917 21.105 -27.992 774 HB2 LYS 100 1HB LYS 100 -1.883 20.083 -28.725 775 HB3 LYS 100 2HB LYS 100 -2.689 19.313 -30.086 776 HG2 LYS 100 1HG LYS 100 -2.911 21.351 -31.242 777 HG3 LYS 100 2HG LYS 100 -2.504 22.296 -29.807 778 HD2 LYS 100 1HD LYS 100 -0.513 20.333 -30.835 779 HD3 LYS 100 2HD LYS 100 -0.728 21.853 -31.707 780 HE2 LYS 100 1HE LYS 100 -0.016 23.131 -29.904 781 HE3 LYS 100 2HE LYS 100 -0.348 21.851 -28.738 782 HZ1 LYS 100 3HZ LYS 100 1.660 20.949 -29.045 783 HZ2 LYS 100 1HZ LYS 100 2.086 22.447 -29.706 784 HZ3 LYS 100 2HZ LYS 100 1.635 21.172 -30.721 785 H ASN 101 H ASN 101 -5.538 18.866 -30.126 786 HA ASN 101 HA ASN 101 -6.338 20.512 -32.191 787 HB2 ASN 101 1HB ASN 101 -7.474 18.083 -30.900 788 HB3 ASN 101 2HB ASN 101 -8.529 18.991 -31.979 789 HD21 ASN 101 1HD2 ASN 101 -5.064 18.239 -32.046 790 HD22 ASN 101 2HD2 ASN 101 -5.078 17.515 -33.614 791 H LYS 102 H LYS 102 -7.672 20.219 -28.947 792 HA LYS 102 HA LYS 102 -9.331 22.590 -29.493 793 HB2 LYS 102 1HB LYS 102 -10.531 20.295 -29.200 794 HB3 LYS 102 2HB LYS 102 -10.163 20.512 -27.495 795 HG2 LYS 102 1HG LYS 102 -12.331 21.343 -27.762 796 HG3 LYS 102 2HG LYS 102 -11.301 22.776 -27.695 797 HD2 LYS 102 1HD LYS 102 -11.274 22.504 -30.300 798 HD3 LYS 102 2HD LYS 102 -12.750 21.580 -30.017 799 HE2 LYS 102 1HE LYS 102 -12.217 24.433 -29.199 800 HE3 LYS 102 2HE LYS 102 -13.304 23.888 -30.475 801 HZ1 LYS 102 3HZ LYS 102 -14.264 22.541 -28.391 802 HZ2 LYS 102 1HZ LYS 102 -14.825 24.069 -28.850 803 HZ3 LYS 102 2HZ LYS 102 -13.694 23.924 -27.601 804 H GLY 103 H GLY 103 -6.616 22.239 -28.317 805 HA2 GLY 103 1HA GLY 103 -6.828 24.130 -26.243 806 HA3 GLY 103 2HA GLY 103 -6.656 22.533 -25.530 807 H PHE 104 H PHE 104 -5.138 24.846 -27.725 808 HA PHE 104 HA PHE 104 -2.752 23.564 -28.238 809 HB2 PHE 104 1HB PHE 104 -1.774 25.816 -28.531 810 HB3 PHE 104 2HB PHE 104 -3.349 25.670 -29.304 811 HD1 PHE 104 HD2 PHE 104 -5.285 26.838 -28.416 812 HD2 PHE 104 HD1 PHE 104 -1.445 27.245 -26.626 813 HE1 PHE 104 HE2 PHE 104 -6.072 28.818 -27.186 814 HE2 PHE 104 HE1 PHE 104 -2.226 29.225 -25.392 815 HZ PHE 104 HZ PHE 104 -4.542 30.015 -25.672 816 H LYS 105 H LYS 105 -3.820 25.129 -25.313 817 HA LYS 105 HA LYS 105 -1.257 25.270 -24.066 818 HB2 LYS 105 1HB LYS 105 -3.490 26.530 -23.515 819 HB3 LYS 105 2HB LYS 105 -3.812 25.124 -22.508 820 HG2 LYS 105 1HG LYS 105 -2.830 26.865 -21.175 821 HG3 LYS 105 2HG LYS 105 -1.690 25.525 -21.319 822 HD2 LYS 105 1HD LYS 105 -0.264 26.710 -22.686 823 HD3 LYS 105 2HD LYS 105 -1.543 27.776 -23.274 824 HE2 LYS 105 1HE LYS 105 -0.187 29.103 -21.871 825 HE3 LYS 105 2HE LYS 105 -1.634 28.735 -20.934 826 HZ1 LYS 105 3HZ LYS 105 1.003 27.391 -20.692 827 HZ2 LYS 105 1HZ LYS 105 -0.389 26.947 -19.840 828 HZ3 LYS 105 2HZ LYS 105 0.316 28.462 -19.577 829 H VAL 106 H VAL 106 -0.510 23.093 -24.529 830 HA VAL 106 HA VAL 106 -1.590 21.111 -22.632 831 HB VAL 106 HB VAL 106 -1.914 20.499 -25.029 832 HG11 VAL 106 1HG1 VAL 106 -0.014 19.873 -26.384 833 HG12 VAL 106 2HG1 VAL 106 0.154 21.554 -25.874 834 HG13 VAL 106 3HG1 VAL 106 1.094 20.292 -25.078 835 HG21 VAL 106 3HG2 VAL 106 -0.642 18.230 -24.756 836 HG22 VAL 106 1HG2 VAL 106 -0.292 18.851 -23.142 837 HG23 VAL 106 2HG2 VAL 106 -1.964 18.643 -23.665 838 H GLU 107 H GLU 107 -0.206 20.156 -21.239 839 HA GLU 107 HA GLU 107 2.673 20.449 -21.644 840 HB2 GLU 107 1HB GLU 107 1.084 21.698 -19.460 841 HB3 GLU 107 2HB GLU 107 2.643 21.006 -19.034 842 HG2 GLU 107 1HG GLU 107 3.739 22.415 -20.683 843 HG3 GLU 107 2HG GLU 107 2.181 23.088 -21.158 844 H THR 108 H THR 108 3.879 18.806 -20.798 845 HA THR 108 HA THR 108 2.558 16.844 -19.070 846 HB THR 108 HB THR 108 3.163 14.968 -20.405 847 HG1 THR 108 HG1 THR 108 4.468 16.826 -22.133 848 HG21 THR 108 3HG2 THR 108 1.199 16.568 -21.130 849 HG22 THR 108 1HG2 THR 108 1.649 15.182 -22.122 850 HG23 THR 108 2HG2 THR 108 2.207 16.797 -22.559 851 H ASP 109 H ASP 109 3.860 16.018 -17.537 852 HA ASP 109 HA ASP 109 6.739 16.619 -17.736 853 HB2 ASP 109 1HB ASP 109 5.276 17.796 -15.938 854 HB3 ASP 109 2HB ASP 109 5.314 16.237 -15.119 855 H MET 110 H MET 110 8.058 15.148 -16.226 856 HA MET 110 HA MET 110 7.357 12.404 -16.902 857 HB2 MET 110 1HB MET 110 9.675 11.897 -16.149 858 HB3 MET 110 2HB MET 110 9.604 13.082 -17.446 859 HG2 MET 110 1HG MET 110 10.064 14.868 -15.957 860 HG3 MET 110 2HG MET 110 9.843 13.833 -14.548 861 HE1 MET 110 3HE MET 110 13.174 15.510 -15.832 862 HE2 MET 110 1HE MET 110 13.253 14.516 -17.287 863 HE3 MET 110 2HE MET 110 11.791 15.434 -16.926 Start of MODEL 3 1 H MET 1 H MET 1 4.116 -0.390 -1.597 2 HA MET 1 HA MET 1 1.595 -0.339 -0.215 3 HB2 MET 1 1HB MET 1 3.551 1.720 -1.157 4 HB3 MET 1 2HB MET 1 1.924 2.222 -0.718 5 HG2 MET 1 1HG MET 1 3.572 0.561 1.144 6 HG3 MET 1 2HG MET 1 3.777 2.309 1.058 7 HE1 MET 1 3HE MET 1 3.148 0.867 3.672 8 HE2 MET 1 1HE MET 1 1.464 0.795 4.191 9 HE3 MET 1 2HE MET 1 2.083 -0.390 3.041 10 H THR 2 H THR 2 0.029 1.513 -1.114 11 HA THR 2 HA THR 2 -0.728 0.606 -3.800 12 HB THR 2 HB THR 2 -2.427 2.158 -1.842 13 HG1 THR 2 HG1 THR 2 -3.113 0.255 -1.054 14 HG21 THR 2 3HG2 THR 2 -4.171 1.887 -3.286 15 HG22 THR 2 1HG2 THR 2 -3.547 0.369 -3.930 16 HG23 THR 2 2HG2 THR 2 -2.858 1.903 -4.462 17 H LEU 3 H LEU 3 -0.400 1.894 -5.481 18 HA LEU 3 HA LEU 3 0.157 4.731 -5.008 19 HB2 LEU 3 1HB LEU 3 0.713 2.897 -7.325 20 HB3 LEU 3 2HB LEU 3 0.936 4.643 -7.418 21 HG LEU 3 HG LEU 3 2.411 2.745 -5.593 22 HD11 LEU 3 1HD1 LEU 3 3.935 4.374 -7.457 23 HD12 LEU 3 2HD1 LEU 3 2.831 3.260 -8.263 24 HD13 LEU 3 3HD1 LEU 3 4.027 2.644 -7.122 25 HD21 LEU 3 3HD2 LEU 3 2.553 5.740 -5.893 26 HD22 LEU 3 1HD2 LEU 3 3.778 4.769 -5.076 27 HD23 LEU 3 2HD2 LEU 3 2.131 4.822 -4.447 28 H CYS 4 H CYS 4 -1.438 6.129 -5.298 29 HA CYS 4 HA CYS 4 -3.478 5.532 -7.339 30 HB2 CYS 4 1HB CYS 4 -5.141 6.605 -5.974 31 HB3 CYS 4 2HB CYS 4 -4.314 5.409 -4.983 32 HG CYS 4 HG CYS 4 -3.550 8.742 -4.905 33 H ALA 5 H ALA 5 -4.277 7.265 -8.566 34 HA ALA 5 HA ALA 5 -2.640 9.715 -8.447 35 HB1 ALA 5 3HB ALA 5 -1.924 8.639 -10.394 36 HB2 ALA 5 1HB ALA 5 -3.556 8.120 -10.818 37 HB3 ALA 5 2HB ALA 5 -3.103 9.819 -10.964 38 H MET 6 H MET 6 -3.662 11.678 -9.090 39 HA MET 6 HA MET 6 -6.576 11.616 -8.702 40 HB2 MET 6 1HB MET 6 -4.531 13.778 -8.203 41 HB3 MET 6 2HB MET 6 -6.264 14.073 -8.157 42 HG2 MET 6 1HG MET 6 -5.087 11.902 -6.486 43 HG3 MET 6 2HG MET 6 -4.960 13.581 -5.967 44 HE1 MET 6 3HE MET 6 -6.504 11.820 -3.853 45 HE2 MET 6 1HE MET 6 -8.028 11.134 -4.416 46 HE3 MET 6 2HE MET 6 -6.511 10.649 -5.173 47 H TYR 7 H TYR 7 -7.848 12.069 -10.369 48 HA TYR 7 HA TYR 7 -6.662 13.400 -12.711 49 HB2 TYR 7 1HB TYR 7 -7.676 10.994 -12.808 50 HB3 TYR 7 2HB TYR 7 -9.221 11.838 -12.820 51 HD1 TYR 7 HD1 TYR 7 -9.137 13.965 -14.557 52 HD2 TYR 7 HD2 TYR 7 -6.919 10.348 -14.879 53 HE1 TYR 7 HE1 TYR 7 -8.933 14.313 -16.983 54 HE2 TYR 7 HE2 TYR 7 -6.708 10.687 -17.306 55 HH TYR 7 HH TYR 7 -7.184 13.510 -18.817 56 H ASN 8 H ASN 8 -7.121 15.508 -12.643 57 HA ASN 8 HA ASN 8 -9.689 16.419 -11.612 58 HB2 ASN 8 1HB ASN 8 -7.294 17.465 -11.198 59 HB3 ASN 8 2HB ASN 8 -7.640 18.296 -12.711 60 HD21 ASN 8 1HD2 ASN 8 -8.558 17.890 -9.385 61 HD22 ASN 8 2HD2 ASN 8 -9.560 19.294 -9.281 62 H ILE 9 H ILE 9 -11.356 16.575 -12.946 63 HA ILE 9 HA ILE 9 -10.864 17.458 -15.714 64 HB ILE 9 HB ILE 9 -11.422 15.096 -15.764 65 HG12 ILE 9 1HG1 ILE 9 -13.744 16.827 -16.640 66 HG13 ILE 9 2HG1 ILE 9 -12.279 16.523 -17.568 67 HG21 ILE 9 1HG2 ILE 9 -14.018 15.795 -14.408 68 HG22 ILE 9 2HG2 ILE 9 -13.437 14.192 -14.858 69 HG23 ILE 9 3HG2 ILE 9 -12.629 15.096 -13.577 70 HD11 ILE 9 3HD1 ILE 9 -13.200 14.725 -18.453 71 HD12 ILE 9 1HD1 ILE 9 -13.432 14.026 -16.850 72 HD13 ILE 9 2HD1 ILE 9 -14.681 15.053 -17.554 73 H SER 10 H SER 10 -11.912 19.250 -16.256 74 HA SER 10 HA SER 10 -14.407 19.919 -14.848 75 HB2 SER 10 1HB SER 10 -12.248 21.205 -14.117 76 HB3 SER 10 2HB SER 10 -12.477 22.081 -15.630 77 HG SER 10 HG SER 10 -13.751 22.406 -13.304 78 H MET 11 H MET 11 -16.019 20.727 -16.091 79 HA MET 11 HA MET 11 -15.497 20.873 -18.973 80 HB2 MET 11 1HB MET 11 -17.264 19.313 -18.027 81 HB3 MET 11 2HB MET 11 -18.191 20.751 -17.623 82 HG2 MET 11 1HG MET 11 -18.362 21.365 -19.930 83 HG3 MET 11 2HG MET 11 -17.266 20.068 -20.401 84 HE1 MET 11 3HE MET 11 -21.673 19.824 -19.303 85 HE2 MET 11 1HE MET 11 -20.536 21.113 -18.905 86 HE3 MET 11 2HE MET 11 -21.040 20.868 -20.577 87 H ALA 12 H ALA 12 -16.713 22.513 -20.217 88 HA ALA 12 HA ALA 12 -16.125 25.096 -19.451 89 HB1 ALA 12 3HB ALA 12 -16.554 24.690 -21.733 90 HB2 ALA 12 1HB ALA 12 -18.161 24.046 -21.397 91 HB3 ALA 12 2HB ALA 12 -17.840 25.768 -21.192 92 H GLY 13 H GLY 13 -16.875 26.302 -17.843 93 HA2 GLY 13 1HA GLY 13 -18.345 27.336 -16.408 94 HA3 GLY 13 2HA GLY 13 -19.649 26.763 -17.437 95 H SER 14 H SER 14 -17.224 25.109 -15.417 96 HA SER 14 HA SER 14 -19.215 24.201 -13.557 97 HB2 SER 14 1HB SER 14 -19.429 22.688 -15.624 98 HB3 SER 14 2HB SER 14 -17.855 22.040 -15.162 99 HG SER 14 HG SER 14 -20.250 22.009 -13.644 100 H HIS 15 H HIS 15 -18.327 23.336 -11.686 101 HA HIS 15 HA HIS 15 -15.683 24.110 -11.077 102 HB2 HIS 15 1HB HIS 15 -17.845 22.626 -9.666 103 HB3 HIS 15 2HB HIS 15 -16.209 22.483 -9.031 104 HD1 HIS 15 HD1 HIS 15 -19.115 24.415 -8.556 105 HD2 HIS 15 HD2 HIS 15 -15.064 25.314 -8.763 106 HE1 HIS 15 HE1 HIS 15 -18.864 26.651 -7.431 107 HA PRO 16 HA PRO 16 -13.193 20.661 -12.144 108 HB2 PRO 16 1HB PRO 16 -11.495 20.481 -10.034 109 HB3 PRO 16 2HB PRO 16 -11.409 21.782 -11.227 110 HG2 PRO 16 1HG PRO 16 -12.646 21.790 -8.501 111 HG3 PRO 16 2HG PRO 16 -11.649 23.032 -9.281 112 HD2 PRO 16 1HD PRO 16 -14.348 23.205 -9.145 113 HD3 PRO 16 2HD PRO 16 -13.416 23.861 -10.506 114 H THR 17 H THR 17 -13.242 18.483 -12.017 115 HA THR 17 HA THR 17 -14.581 17.297 -9.676 116 HB THR 17 HB THR 17 -14.460 16.292 -12.526 117 HG1 THR 17 HG1 THR 17 -16.424 17.562 -10.944 118 HG21 THR 17 3HG2 THR 17 -16.321 14.753 -11.329 119 HG22 THR 17 1HG2 THR 17 -15.204 14.983 -9.984 120 HG23 THR 17 2HG2 THR 17 -14.631 14.280 -11.497 121 H THR 18 H THR 18 -13.245 16.272 -8.352 122 HA THR 18 HA THR 18 -10.664 15.331 -9.270 123 HB THR 18 HB THR 18 -11.632 14.766 -6.507 124 HG1 THR 18 HG1 THR 18 -12.192 16.820 -6.358 125 HG21 THR 18 3HG2 THR 18 -9.185 14.690 -7.863 126 HG22 THR 18 1HG2 THR 18 -9.451 14.485 -6.132 127 HG23 THR 18 2HG2 THR 18 -9.080 16.081 -6.784 128 H ILE 19 H ILE 19 -10.660 13.457 -10.348 129 HA ILE 19 HA ILE 19 -12.325 11.251 -9.337 130 HB ILE 19 HB ILE 19 -10.982 11.350 -12.031 131 HG12 ILE 19 1HG1 ILE 19 -13.791 12.215 -11.312 132 HG13 ILE 19 2HG1 ILE 19 -12.489 13.278 -11.835 133 HG21 ILE 19 1HG2 ILE 19 -12.517 9.610 -12.622 134 HG22 ILE 19 2HG2 ILE 19 -11.722 9.157 -11.115 135 HG23 ILE 19 3HG2 ILE 19 -13.373 9.778 -11.089 136 HD11 ILE 19 3HD1 ILE 19 -13.680 11.068 -13.493 137 HD12 ILE 19 1HD1 ILE 19 -14.103 12.775 -13.618 138 HD13 ILE 19 2HD1 ILE 19 -12.468 12.241 -14.009 139 H CYS 20 H CYS 20 -11.150 10.125 -7.903 140 HA CYS 20 HA CYS 20 -8.314 9.748 -8.201 141 HB2 CYS 20 1HB CYS 20 -8.518 8.382 -6.150 142 HB3 CYS 20 2HB CYS 20 -9.264 9.966 -5.972 143 HG CYS 20 HG CYS 20 -11.555 7.883 -7.024 144 H VAL 21 H VAL 21 -7.273 8.082 -9.103 145 HA VAL 21 HA VAL 21 -8.687 5.569 -9.581 146 HB VAL 21 HB VAL 21 -7.191 6.938 -11.813 147 HG11 VAL 21 1HG1 VAL 21 -8.505 4.334 -11.439 148 HG12 VAL 21 2HG1 VAL 21 -8.865 5.150 -12.962 149 HG13 VAL 21 3HG1 VAL 21 -7.193 4.801 -12.521 150 HG21 VAL 21 3HG2 VAL 21 -9.563 7.163 -12.783 151 HG22 VAL 21 1HG2 VAL 21 -10.106 6.982 -11.115 152 HG23 VAL 21 2HG2 VAL 21 -9.051 8.324 -11.558 153 H VAL 22 H VAL 22 -7.302 3.779 -9.988 154 HA VAL 22 HA VAL 22 -4.970 3.705 -8.469 155 HB VAL 22 HB VAL 22 -5.560 1.855 -10.778 156 HG11 VAL 22 1HG1 VAL 22 -3.977 1.575 -8.232 157 HG12 VAL 22 2HG1 VAL 22 -4.434 0.206 -9.248 158 HG13 VAL 22 3HG1 VAL 22 -3.388 1.472 -9.891 159 HG21 VAL 22 3HG2 VAL 22 -6.508 0.589 -8.551 160 HG22 VAL 22 1HG2 VAL 22 -6.990 2.260 -8.258 161 HG23 VAL 22 2HG2 VAL 22 -7.501 1.441 -9.733 162 H MET 23 H MET 23 -2.759 3.443 -9.085 163 HA MET 23 HA MET 23 -1.762 5.379 -10.788 164 HB2 MET 23 1HB MET 23 -0.428 4.295 -9.038 165 HB3 MET 23 2HB MET 23 -0.432 2.795 -9.955 166 HG2 MET 23 1HG MET 23 0.593 5.207 -11.323 167 HG3 MET 23 2HG MET 23 1.578 4.531 -10.027 168 HE1 MET 23 3HE MET 23 3.624 3.944 -12.206 169 HE2 MET 23 1HE MET 23 3.369 3.410 -10.545 170 HE3 MET 23 2HE MET 23 3.666 2.224 -11.816 171 H ASP 24 H ASP 24 -2.290 1.931 -11.429 172 HA ASP 24 HA ASP 24 -1.313 2.066 -14.113 173 HB2 ASP 24 1HB ASP 24 -2.441 -0.215 -14.285 174 HB3 ASP 24 2HB ASP 24 -1.171 -0.057 -13.075 175 H ARG 25 H ARG 25 -4.567 1.807 -12.691 176 HA ARG 25 HA ARG 25 -6.015 1.846 -15.075 177 HB2 ARG 25 1HB ARG 25 -6.732 2.807 -12.305 178 HB3 ARG 25 2HB ARG 25 -7.885 2.760 -13.632 179 HG2 ARG 25 1HG ARG 25 -7.223 0.275 -13.822 180 HG3 ARG 25 2HG ARG 25 -6.570 0.492 -12.197 181 HD2 ARG 25 1HD ARG 25 -8.787 -0.317 -11.945 182 HD3 ARG 25 2HD ARG 25 -8.817 1.396 -11.528 183 HE ARG 25 HE ARG 25 -10.208 1.766 -13.306 184 HH11 ARG 25 1HH1 ARG 25 -8.702 -1.352 -13.669 185 HH12 ARG 25 2HH1 ARG 25 -9.670 -1.806 -15.033 186 HH21 ARG 25 1HH2 ARG 25 -11.488 1.180 -15.101 187 HH22 ARG 25 2HH2 ARG 25 -11.254 -0.364 -15.846 188 H PHE 26 H PHE 26 -4.310 4.357 -13.467 189 HA PHE 26 HA PHE 26 -5.658 6.648 -14.197 190 HB2 PHE 26 1HB PHE 26 -3.415 6.286 -12.875 191 HB3 PHE 26 2HB PHE 26 -2.676 6.569 -14.448 192 HD1 PHE 26 HD1 PHE 26 -5.580 8.110 -12.685 193 HD2 PHE 26 HD2 PHE 26 -1.785 8.680 -14.524 194 HE1 PHE 26 HE1 PHE 26 -5.779 10.537 -12.334 195 HE2 PHE 26 HE2 PHE 26 -1.977 11.108 -14.176 196 HZ PHE 26 HZ PHE 26 -3.975 12.039 -13.079 197 H LEU 27 H LEU 27 -3.216 4.885 -16.090 198 HA LEU 27 HA LEU 27 -3.166 6.533 -18.325 199 HB2 LEU 27 1HB LEU 27 -1.546 4.788 -18.026 200 HB3 LEU 27 2HB LEU 27 -2.800 3.552 -18.102 201 HG LEU 27 HG LEU 27 -3.089 3.860 -20.434 202 HD11 LEU 27 1HD1 LEU 27 -1.273 5.704 -21.340 203 HD12 LEU 27 2HD1 LEU 27 -1.916 6.471 -19.888 204 HD13 LEU 27 3HD1 LEU 27 -3.010 5.963 -21.175 205 HD21 LEU 27 3HD2 LEU 27 -0.160 3.936 -19.724 206 HD22 LEU 27 1HD2 LEU 27 -0.799 3.487 -21.305 207 HD23 LEU 27 2HD2 LEU 27 -1.178 2.505 -19.890 208 H GLU 28 H GLU 28 -5.163 3.635 -17.770 209 HA GLU 28 HA GLU 28 -6.573 3.674 -20.166 210 HB2 GLU 28 1HB GLU 28 -6.651 1.793 -18.602 211 HB3 GLU 28 2HB GLU 28 -7.528 2.780 -17.441 212 HG2 GLU 28 1HG GLU 28 -9.357 3.002 -19.115 213 HG3 GLU 28 2HG GLU 28 -8.494 1.849 -20.132 214 H SER 29 H SER 29 -7.371 5.222 -17.070 215 HA SER 29 HA SER 29 -9.837 6.296 -17.747 216 HB2 SER 29 1HB SER 29 -8.655 6.302 -15.472 217 HB3 SER 29 2HB SER 29 -7.833 7.758 -16.030 218 HG SER 29 HG SER 29 -10.630 7.587 -16.207 219 H PHE 30 H PHE 30 -6.619 7.776 -18.087 220 HA PHE 30 HA PHE 30 -7.463 10.196 -19.210 221 HB2 PHE 30 1HB PHE 30 -5.155 9.635 -18.328 222 HB3 PHE 30 2HB PHE 30 -4.862 8.801 -19.851 223 HD1 PHE 30 HD1 PHE 30 -4.681 10.050 -21.938 224 HD2 PHE 30 HD2 PHE 30 -5.201 12.025 -18.204 225 HE1 PHE 30 HE1 PHE 30 -3.982 12.173 -22.967 226 HE2 PHE 30 HE2 PHE 30 -4.505 14.151 -19.227 227 HZ PHE 30 HZ PHE 30 -3.895 14.227 -21.612 228 H SER 31 H SER 31 -6.590 7.122 -20.730 229 HA SER 31 HA SER 31 -6.661 7.926 -23.396 230 HB2 SER 31 1HB SER 31 -5.915 5.676 -22.426 231 HB3 SER 31 2HB SER 31 -7.620 5.225 -22.454 232 HG SER 31 HG SER 31 -5.870 5.188 -24.457 233 H GLU 32 H GLU 32 -9.276 6.651 -21.355 234 HA GLU 32 HA GLU 32 -11.258 6.869 -23.397 235 HB2 GLU 32 1HB GLU 32 -11.364 5.306 -21.430 236 HB3 GLU 32 2HB GLU 32 -11.700 6.702 -20.414 237 HG2 GLU 32 1HG GLU 32 -13.770 5.664 -20.901 238 HG3 GLU 32 2HG GLU 32 -13.701 7.156 -21.835 239 H LEU 33 H LEU 33 -10.033 8.980 -20.909 240 HA LEU 33 HA LEU 33 -12.151 10.827 -20.812 241 HB2 LEU 33 1HB LEU 33 -10.020 10.552 -19.331 242 HB3 LEU 33 2HB LEU 33 -9.305 11.675 -20.487 243 HG LEU 33 HG LEU 33 -10.103 12.807 -18.465 244 HD11 LEU 33 1HD1 LEU 33 -10.402 13.617 -21.034 245 HD12 LEU 33 2HD1 LEU 33 -10.717 14.627 -19.624 246 HD13 LEU 33 3HD1 LEU 33 -12.048 13.795 -20.427 247 HD21 LEU 33 3HD2 LEU 33 -12.897 12.798 -18.895 248 HD22 LEU 33 1HD2 LEU 33 -12.002 12.196 -17.499 249 HD23 LEU 33 2HD2 LEU 33 -12.365 11.117 -18.846 250 H TYR 34 H TYR 34 -9.248 10.682 -22.835 251 HA TYR 34 HA TYR 34 -9.548 13.138 -24.135 252 HB2 TYR 34 1HB TYR 34 -7.478 12.012 -24.389 253 HB3 TYR 34 2HB TYR 34 -8.257 10.547 -24.976 254 HD1 TYR 34 HD2 TYR 34 -8.024 14.164 -25.908 255 HD2 TYR 34 HD1 TYR 34 -8.102 10.122 -27.234 256 HE1 TYR 34 HE2 TYR 34 -7.691 14.924 -28.223 257 HE2 TYR 34 HE1 TYR 34 -7.769 10.870 -29.553 258 HH TYR 34 HH TYR 34 -8.376 13.519 -30.737 259 H ASP 35 H ASP 35 -11.309 10.205 -24.448 260 HA ASP 35 HA ASP 35 -12.372 10.863 -27.069 261 HB2 ASP 35 1HB ASP 35 -12.217 8.503 -25.416 262 HB3 ASP 35 2HB ASP 35 -13.875 8.767 -25.947 263 H ILE 36 H ILE 36 -13.757 10.292 -23.830 264 HA ILE 36 HA ILE 36 -16.330 11.220 -24.426 265 HB ILE 36 HB ILE 36 -15.813 9.907 -22.413 266 HG12 ILE 36 1HG1 ILE 36 -17.014 12.615 -21.794 267 HG13 ILE 36 2HG1 ILE 36 -17.873 11.260 -22.517 268 HG21 ILE 36 1HG2 ILE 36 -13.675 11.323 -22.005 269 HG22 ILE 36 2HG2 ILE 36 -14.756 12.367 -21.085 270 HG23 ILE 36 3HG2 ILE 36 -14.563 10.675 -20.627 271 HD11 ILE 36 3HD1 ILE 36 -18.432 11.353 -20.208 272 HD12 ILE 36 1HD1 ILE 36 -17.391 9.952 -20.455 273 HD13 ILE 36 2HD1 ILE 36 -16.732 11.425 -19.742 274 H ILE 37 H ILE 37 -13.425 12.916 -23.439 275 HA ILE 37 HA ILE 37 -14.632 15.385 -22.783 276 HB ILE 37 HB ILE 37 -12.277 14.683 -22.206 277 HG12 ILE 37 1HG1 ILE 37 -11.431 17.137 -23.011 278 HG13 ILE 37 2HG1 ILE 37 -13.173 17.322 -23.186 279 HG21 ILE 37 1HG2 ILE 37 -11.518 15.728 -24.911 280 HG22 ILE 37 2HG2 ILE 37 -10.539 14.828 -23.755 281 HG23 ILE 37 3HG2 ILE 37 -11.826 14.013 -24.642 282 HD11 ILE 37 3HD1 ILE 37 -11.526 17.038 -20.760 283 HD12 ILE 37 1HD1 ILE 37 -12.996 17.971 -21.037 284 HD13 ILE 37 2HD1 ILE 37 -13.095 16.234 -20.749 285 H ASP 38 H ASP 38 -13.780 13.900 -25.799 286 HA ASP 38 HA ASP 38 -13.537 16.090 -27.480 287 HB2 ASP 38 1HB ASP 38 -13.298 13.559 -27.985 288 HB3 ASP 38 2HB ASP 38 -15.024 13.619 -28.331 289 H GLU 39 H GLU 39 -16.364 14.761 -25.961 290 HA GLU 39 HA GLU 39 -18.079 16.583 -27.506 291 HB2 GLU 39 1HB GLU 39 -18.853 14.214 -25.793 292 HB3 GLU 39 2HB GLU 39 -19.964 15.218 -26.714 293 HG2 GLU 39 1HG GLU 39 -19.303 14.344 -28.731 294 HG3 GLU 39 2HG GLU 39 -17.719 13.864 -28.126 295 H ASN 40 H ASN 40 -20.179 16.979 -25.904 296 HA ASN 40 HA ASN 40 -19.078 18.132 -23.430 297 HB2 ASN 40 1HB ASN 40 -20.485 20.103 -23.733 298 HB3 ASN 40 2HB ASN 40 -19.420 19.900 -25.120 299 HD21 ASN 40 1HD2 ASN 40 -21.872 21.376 -24.996 300 HD22 ASN 40 2HD2 ASN 40 -22.949 20.663 -26.144 301 H ASP 41 H ASP 41 -20.576 15.633 -24.004 302 HA ASP 41 HA ASP 41 -23.229 16.008 -22.974 303 HB2 ASP 41 1HB ASP 41 -21.549 13.587 -23.595 304 HB3 ASP 41 2HB ASP 41 -23.118 13.440 -22.807 305 H THR 42 H THR 42 -23.648 16.440 -20.921 306 HA THR 42 HA THR 42 -21.722 15.831 -18.846 307 HB THR 42 HB THR 42 -24.409 16.912 -18.161 308 HG1 THR 42 HG1 THR 42 -22.603 18.105 -19.931 309 HG21 THR 42 3HG2 THR 42 -21.750 16.836 -17.052 310 HG22 THR 42 1HG2 THR 42 -23.269 17.288 -16.280 311 HG23 THR 42 2HG2 THR 42 -22.330 18.498 -17.156 312 H ASP 43 H ASP 43 -24.676 14.529 -20.087 313 HA ASP 43 HA ASP 43 -25.574 13.117 -17.829 314 HB2 ASP 43 1HB ASP 43 -26.884 13.501 -19.931 315 HB3 ASP 43 2HB ASP 43 -25.883 12.285 -20.719 316 H VAL 44 H VAL 44 -23.000 12.512 -20.069 317 HA VAL 44 HA VAL 44 -22.686 9.747 -19.207 318 HB VAL 44 HB VAL 44 -22.326 10.205 -21.562 319 HG11 VAL 44 1HG1 VAL 44 -20.255 12.146 -20.563 320 HG12 VAL 44 2HG1 VAL 44 -20.299 11.555 -22.225 321 HG13 VAL 44 3HG1 VAL 44 -21.657 12.478 -21.580 322 HG21 VAL 44 3HG2 VAL 44 -20.254 9.067 -21.852 323 HG22 VAL 44 1HG2 VAL 44 -19.653 9.638 -20.295 324 HG23 VAL 44 2HG2 VAL 44 -20.970 8.466 -20.356 325 H MET 45 H MET 45 -21.358 12.891 -18.597 326 HA MET 45 HA MET 45 -18.838 12.302 -17.625 327 HB2 MET 45 1HB MET 45 -20.831 14.442 -17.128 328 HB3 MET 45 2HB MET 45 -19.541 14.280 -15.944 329 HG2 MET 45 1HG MET 45 -18.059 14.226 -18.147 330 HG3 MET 45 2HG MET 45 -19.430 15.140 -18.771 331 HE1 MET 45 3HE MET 45 -16.565 16.429 -15.417 332 HE2 MET 45 1HE MET 45 -17.784 15.202 -15.071 333 HE3 MET 45 2HE MET 45 -16.548 14.897 -16.292 334 H MET 46 H MET 46 -21.891 12.413 -15.789 335 HA MET 46 HA MET 46 -20.852 11.662 -13.314 336 HB2 MET 46 1HB MET 46 -23.179 10.908 -12.800 337 HB3 MET 46 2HB MET 46 -23.083 12.534 -13.462 338 HG2 MET 46 1HG MET 46 -23.649 11.578 -15.694 339 HG3 MET 46 2HG MET 46 -23.921 10.030 -14.897 340 HE1 MET 46 3HE MET 46 -25.325 9.752 -12.914 341 HE2 MET 46 1HE MET 46 -26.875 10.550 -12.643 342 HE3 MET 46 2HE MET 46 -26.663 9.486 -14.033 343 H ASP 47 H ASP 47 -22.139 9.659 -15.944 344 HA ASP 47 HA ASP 47 -21.911 7.182 -14.634 345 HB2 ASP 47 1HB ASP 47 -22.137 8.055 -17.481 346 HB3 ASP 47 2HB ASP 47 -21.681 6.386 -17.150 347 H PHE 48 H PHE 48 -19.629 9.038 -16.577 348 HA PHE 48 HA PHE 48 -17.638 7.044 -16.766 349 HB2 PHE 48 1HB PHE 48 -17.528 8.884 -18.281 350 HB3 PHE 48 2HB PHE 48 -17.519 10.053 -16.964 351 HD1 PHE 48 HD1 PHE 48 -15.531 7.429 -18.638 352 HD2 PHE 48 HD2 PHE 48 -15.509 10.724 -15.944 353 HE1 PHE 48 HE1 PHE 48 -13.070 7.430 -18.665 354 HE2 PHE 48 HE2 PHE 48 -13.049 10.731 -15.967 355 HZ PHE 48 HZ PHE 48 -11.826 9.084 -17.329 356 H ILE 49 H ILE 49 -18.038 9.777 -14.529 357 HA ILE 49 HA ILE 49 -15.726 9.338 -13.011 358 HB ILE 49 HB ILE 49 -18.350 10.522 -12.093 359 HG12 ILE 49 1HG1 ILE 49 -15.889 12.017 -12.982 360 HG13 ILE 49 2HG1 ILE 49 -17.148 11.548 -14.119 361 HG21 ILE 49 1HG2 ILE 49 -15.589 10.557 -10.901 362 HG22 ILE 49 2HG2 ILE 49 -16.839 11.718 -10.457 363 HG23 ILE 49 3HG2 ILE 49 -17.090 9.998 -10.164 364 HD11 ILE 49 3HD1 ILE 49 -17.717 13.165 -11.657 365 HD12 ILE 49 1HD1 ILE 49 -17.267 13.892 -13.199 366 HD13 ILE 49 2HD1 ILE 49 -18.739 12.929 -13.074 367 H SER 50 H SER 50 -19.042 8.159 -12.547 368 HA SER 50 HA SER 50 -18.446 6.723 -10.160 369 HB2 SER 50 1HB SER 50 -20.713 7.308 -10.418 370 HB3 SER 50 2HB SER 50 -20.768 6.715 -12.078 371 HG SER 50 HG SER 50 -20.283 4.995 -9.889 372 H ARG 51 H ARG 51 -18.255 6.007 -13.554 373 HA ARG 51 HA ARG 51 -18.192 3.178 -13.348 374 HB2 ARG 51 1HB ARG 51 -18.697 4.177 -15.471 375 HB3 ARG 51 2HB ARG 51 -17.183 5.072 -15.470 376 HG2 ARG 51 1HG ARG 51 -17.114 3.169 -16.995 377 HG3 ARG 51 2HG ARG 51 -15.932 3.004 -15.694 378 HD2 ARG 51 1HD ARG 51 -17.498 1.528 -14.495 379 HD3 ARG 51 2HD ARG 51 -18.628 1.660 -15.842 380 HE ARG 51 HE ARG 51 -16.055 0.749 -16.676 381 HH11 ARG 51 1HH1 ARG 51 -19.055 -0.252 -15.221 382 HH12 ARG 51 2HH1 ARG 51 -18.906 -1.899 -15.735 383 HH21 ARG 51 1HH2 ARG 51 -15.847 -1.418 -17.359 384 HH22 ARG 51 2HH2 ARG 51 -17.081 -2.562 -16.950 385 H PHE 52 H PHE 52 -15.631 5.630 -13.598 386 HA PHE 52 HA PHE 52 -13.558 3.649 -13.244 387 HB2 PHE 52 1HB PHE 52 -13.641 6.591 -13.740 388 HB3 PHE 52 2HB PHE 52 -12.180 5.907 -13.035 389 HD1 PHE 52 HD2 PHE 52 -14.368 5.928 -15.984 390 HD2 PHE 52 HD1 PHE 52 -10.703 4.544 -14.320 391 HE1 PHE 52 HE2 PHE 52 -13.608 5.255 -18.225 392 HE2 PHE 52 HE1 PHE 52 -9.937 3.870 -16.559 393 HZ PHE 52 HZ PHE 52 -11.391 4.224 -18.515 394 H ALA 53 H ALA 53 -14.522 6.569 -11.432 395 HA ALA 53 HA ALA 53 -12.995 5.930 -9.139 396 HB1 ALA 53 3HB ALA 53 -13.794 7.872 -8.237 397 HB2 ALA 53 1HB ALA 53 -14.096 8.184 -9.946 398 HB3 ALA 53 2HB ALA 53 -15.412 7.647 -8.901 399 H ARG 54 H ARG 54 -13.391 3.941 -8.280 400 HA ARG 54 HA ARG 54 -16.136 3.430 -7.336 401 HB2 ARG 54 1HB ARG 54 -14.041 1.579 -8.423 402 HB3 ARG 54 2HB ARG 54 -15.262 0.972 -7.313 403 HG2 ARG 54 1HG ARG 54 -16.898 2.165 -8.999 404 HG3 ARG 54 2HG ARG 54 -15.544 1.934 -10.107 405 HD2 ARG 54 1HD ARG 54 -15.729 -0.342 -10.077 406 HD3 ARG 54 2HD ARG 54 -16.382 -0.375 -8.440 407 HE ARG 54 HE ARG 54 -17.864 -0.206 -10.890 408 HH11 ARG 54 1HH1 ARG 54 -17.886 0.547 -7.491 409 HH12 ARG 54 2HH1 ARG 54 -19.615 0.572 -7.375 410 HH21 ARG 54 1HH2 ARG 54 -20.140 -0.177 -10.749 411 HH22 ARG 54 2HH2 ARG 54 -20.896 0.159 -9.228 412 H THR 55 H THR 55 -14.004 4.918 -5.988 413 HA THR 55 HA THR 55 -13.920 3.321 -3.531 414 HB THR 55 HB THR 55 -11.726 2.953 -4.316 415 HG1 THR 55 HG1 THR 55 -10.522 4.005 -2.744 416 HG21 THR 55 3HG2 THR 55 -12.067 5.560 -5.531 417 HG22 THR 55 1HG2 THR 55 -10.959 4.258 -5.960 418 HG23 THR 55 2HG2 THR 55 -10.510 5.424 -4.715 419 H ASP 56 H ASP 56 -15.555 4.653 -2.704 420 HA ASP 56 HA ASP 56 -15.410 7.484 -2.681 421 HB2 ASP 56 1HB ASP 56 -17.233 7.366 -1.041 422 HB3 ASP 56 2HB ASP 56 -17.531 6.287 -2.401 423 H GLU 57 H GLU 57 -14.454 4.987 -0.371 424 HA GLU 57 HA GLU 57 -13.479 7.004 1.494 425 HB2 GLU 57 1HB GLU 57 -13.807 4.020 1.623 426 HB3 GLU 57 2HB GLU 57 -12.827 4.871 2.809 427 HG2 GLU 57 1HG GLU 57 -14.979 6.362 3.030 428 HG3 GLU 57 2HG GLU 57 -15.767 4.924 2.384 429 H ILE 58 H ILE 58 -11.362 7.410 1.920 430 HA ILE 58 HA ILE 58 -9.392 6.030 0.215 431 HB ILE 58 HB ILE 58 -9.272 8.852 1.287 432 HG12 ILE 58 1HG1 ILE 58 -9.487 7.992 -1.595 433 HG13 ILE 58 2HG1 ILE 58 -10.908 8.323 -0.611 434 HG21 ILE 58 1HG2 ILE 58 -7.319 8.958 -0.365 435 HG22 ILE 58 2HG2 ILE 58 -7.055 8.122 1.165 436 HG23 ILE 58 3HG2 ILE 58 -7.346 7.195 -0.307 437 HD11 ILE 58 3HD1 ILE 58 -9.211 10.521 -0.271 438 HD12 ILE 58 1HD1 ILE 58 -9.190 10.144 -1.994 439 HD13 ILE 58 2HD1 ILE 58 -10.723 10.450 -1.176 440 H MET 59 H MET 59 -7.806 4.950 1.190 441 HA MET 59 HA MET 59 -7.571 5.141 4.095 442 HB2 MET 59 1HB MET 59 -6.914 3.084 2.052 443 HB3 MET 59 2HB MET 59 -5.921 3.123 3.502 444 HG2 MET 59 1HG MET 59 -7.656 2.521 4.877 445 HG3 MET 59 2HG MET 59 -8.884 3.136 3.773 446 HE1 MET 59 3HE MET 59 -10.304 0.265 4.031 447 HE2 MET 59 1HE MET 59 -9.006 -0.780 4.609 448 HE3 MET 59 2HE MET 59 -9.230 0.821 5.316 449 HA PRO 60 HA PRO 60 -3.703 7.209 4.154 450 HB2 PRO 60 1HB PRO 60 -2.370 5.912 6.131 451 HB3 PRO 60 2HB PRO 60 -3.729 6.998 6.442 452 HG2 PRO 60 1HG PRO 60 -3.689 4.008 6.297 453 HG3 PRO 60 2HG PRO 60 -4.518 5.061 7.459 454 HD2 PRO 60 1HD PRO 60 -5.796 3.903 5.372 455 HD3 PRO 60 2HD PRO 60 -6.263 5.491 6.015 456 H GLU 61 H GLU 61 -3.489 3.675 4.084 457 HA GLU 61 HA GLU 61 -0.827 3.340 3.437 458 HB2 GLU 61 1HB GLU 61 -1.646 1.276 2.168 459 HB3 GLU 61 2HB GLU 61 -2.057 1.387 3.873 460 HG2 GLU 61 1HG GLU 61 -4.275 1.671 3.470 461 HG3 GLU 61 2HG GLU 61 -4.006 2.463 1.918 462 H ASP 62 H ASP 62 -3.468 4.417 1.423 463 HA ASP 62 HA ASP 62 -2.090 4.127 -1.063 464 HB2 ASP 62 1HB ASP 62 -4.677 4.435 -0.475 465 HB3 ASP 62 2HB ASP 62 -4.279 6.123 -0.779 466 H LYS 63 H LYS 63 -0.885 5.571 -2.190 467 HA LYS 63 HA LYS 63 -0.459 8.225 -0.991 468 HB2 LYS 63 1HB LYS 63 1.582 6.201 -1.861 469 HB3 LYS 63 2HB LYS 63 1.966 7.917 -1.874 470 HG2 LYS 63 1HG LYS 63 1.964 8.079 0.401 471 HG3 LYS 63 2HG LYS 63 0.811 6.759 0.606 472 HD2 LYS 63 1HD LYS 63 2.549 5.146 0.001 473 HD3 LYS 63 2HD LYS 63 3.701 6.466 -0.217 474 HE2 LYS 63 1HE LYS 63 4.195 5.750 1.921 475 HE3 LYS 63 2HE LYS 63 3.065 7.067 2.232 476 HZ1 LYS 63 3HZ LYS 63 2.058 5.523 3.491 477 HZ2 LYS 63 1HZ LYS 63 2.754 4.218 2.668 478 HZ3 LYS 63 2HZ LYS 63 1.397 4.997 2.025 479 H THR 64 H THR 64 0.311 9.855 -2.477 480 HA THR 64 HA THR 64 -1.022 9.727 -4.995 481 HB THR 64 HB THR 64 0.985 11.825 -4.171 482 HG1 THR 64 HG1 THR 64 -0.477 12.658 -2.852 483 HG21 THR 64 3HG2 THR 64 0.270 12.984 -5.947 484 HG22 THR 64 1HG2 THR 64 -1.422 12.649 -5.582 485 HG23 THR 64 2HG2 THR 64 -0.470 11.481 -6.499 486 H VAL 65 H VAL 65 -0.270 9.117 -6.920 487 HA VAL 65 HA VAL 65 2.634 8.699 -7.206 488 HB VAL 65 HB VAL 65 1.262 6.616 -7.249 489 HG11 VAL 65 1HG1 VAL 65 -0.542 8.023 -8.665 490 HG12 VAL 65 2HG1 VAL 65 0.297 7.191 -9.976 491 HG13 VAL 65 3HG1 VAL 65 -0.451 6.262 -8.677 492 HG21 VAL 65 3HG2 VAL 65 2.279 6.727 -9.997 493 HG22 VAL 65 1HG2 VAL 65 3.410 7.301 -8.772 494 HG23 VAL 65 2HG2 VAL 65 2.738 5.675 -8.657 495 H GLY 66 H GLY 66 -0.182 10.224 -8.478 496 HA2 GLY 66 1HA GLY 66 1.351 11.848 -10.243 497 HA3 GLY 66 2HA GLY 66 0.455 10.630 -11.140 498 H PHE 67 H PHE 67 -0.009 13.304 -11.569 499 HA PHE 67 HA PHE 67 -2.802 13.487 -10.790 500 HB2 PHE 67 1HB PHE 67 -2.551 15.864 -10.076 501 HB3 PHE 67 2HB PHE 67 -1.757 14.723 -8.996 502 HD1 PHE 67 HD1 PHE 67 0.709 14.493 -9.046 503 HD2 PHE 67 HD2 PHE 67 -1.327 17.517 -11.243 504 HE1 PHE 67 HE1 PHE 67 2.819 15.738 -9.282 505 HE2 PHE 67 HE2 PHE 67 0.779 18.766 -11.483 506 HZ PHE 67 HZ PHE 67 2.856 17.876 -10.503 507 H VAL 68 H VAL 68 -4.062 14.589 -12.251 508 HA VAL 68 HA VAL 68 -2.686 15.827 -14.540 509 HB VAL 68 HB VAL 68 -5.017 13.911 -14.698 510 HG11 VAL 68 1HG1 VAL 68 -5.503 15.401 -16.386 511 HG12 VAL 68 2HG1 VAL 68 -3.806 15.782 -16.685 512 HG13 VAL 68 3HG1 VAL 68 -4.475 14.243 -17.230 513 HG21 VAL 68 3HG2 VAL 68 -2.635 13.023 -14.372 514 HG22 VAL 68 1HG2 VAL 68 -3.572 12.381 -15.721 515 HG23 VAL 68 2HG2 VAL 68 -2.334 13.603 -16.010 516 H VAL 69 H VAL 69 -3.386 17.813 -14.951 517 HA VAL 69 HA VAL 69 -5.934 18.677 -13.774 518 HB VAL 69 HB VAL 69 -3.627 20.339 -14.798 519 HG11 VAL 69 1HG1 VAL 69 -4.886 22.163 -13.535 520 HG12 VAL 69 2HG1 VAL 69 -5.554 21.650 -15.086 521 HG13 VAL 69 3HG1 VAL 69 -6.273 21.075 -13.581 522 HG21 VAL 69 3HG2 VAL 69 -2.704 19.808 -12.833 523 HG22 VAL 69 1HG2 VAL 69 -3.941 20.834 -12.107 524 HG23 VAL 69 2HG2 VAL 69 -4.198 19.093 -12.229 525 H VAL 70 H VAL 70 -7.618 18.719 -15.098 526 HA VAL 70 HA VAL 70 -7.195 19.561 -17.889 527 HB VAL 70 HB VAL 70 -9.099 17.421 -16.927 528 HG11 VAL 70 1HG1 VAL 70 -8.966 17.375 -19.705 529 HG12 VAL 70 2HG1 VAL 70 -10.317 17.935 -18.718 530 HG13 VAL 70 3HG1 VAL 70 -9.107 19.084 -19.291 531 HG21 VAL 70 3HG2 VAL 70 -6.582 16.925 -17.170 532 HG22 VAL 70 1HG2 VAL 70 -7.730 15.842 -17.958 533 HG23 VAL 70 2HG2 VAL 70 -6.873 17.059 -18.904 534 H ASN 71 H ASN 71 -8.085 21.509 -18.087 535 HA ASN 71 HA ASN 71 -10.717 21.971 -16.845 536 HB2 ASN 71 1HB ASN 71 -8.436 23.909 -17.262 537 HB3 ASN 71 2HB ASN 71 -10.062 24.405 -16.805 538 HD21 ASN 71 1HD2 ASN 71 -8.462 25.252 -15.066 539 HD22 ASN 71 2HD2 ASN 71 -8.328 24.257 -13.660 540 H ALA 72 H ALA 72 -12.280 22.107 -18.300 541 HA ALA 72 HA ALA 72 -11.705 22.567 -21.085 542 HB1 ALA 72 3HB ALA 72 -13.427 20.947 -20.232 543 HB2 ALA 72 1HB ALA 72 -14.420 22.341 -19.805 544 HB3 ALA 72 2HB ALA 72 -13.987 22.049 -21.490 545 H ASP 73 H ASP 73 -13.238 24.335 -18.447 546 HA ASP 73 HA ASP 73 -14.397 26.429 -19.821 547 HB2 ASP 73 1HB ASP 73 -14.790 26.309 -17.493 548 HB3 ASP 73 2HB ASP 73 -13.068 26.314 -17.119 549 H LYS 74 H LYS 74 -11.053 26.211 -18.625 550 HA LYS 74 HA LYS 74 -10.363 28.592 -20.185 551 HB2 LYS 74 1HB LYS 74 -8.949 27.089 -17.989 552 HB3 LYS 74 2HB LYS 74 -8.134 28.312 -18.955 553 HG2 LYS 74 1HG LYS 74 -10.017 29.880 -18.260 554 HG3 LYS 74 2HG LYS 74 -10.428 28.657 -17.055 555 HD2 LYS 74 1HD LYS 74 -9.008 30.255 -15.998 556 HD3 LYS 74 2HD LYS 74 -8.059 28.787 -16.246 557 HE2 LYS 74 1HE LYS 74 -6.857 29.733 -18.022 558 HE3 LYS 74 2HE LYS 74 -8.024 31.037 -18.233 559 HZ1 LYS 74 3HZ LYS 74 -6.467 32.176 -17.095 560 HZ2 LYS 74 1HZ LYS 74 -5.824 30.802 -16.345 561 HZ3 LYS 74 2HZ LYS 74 -7.241 31.507 -15.748 562 H LYS 75 H LYS 75 -10.355 25.266 -20.481 563 HA LYS 75 HA LYS 75 -9.466 23.827 -22.002 564 HB2 LYS 75 1HB LYS 75 -8.452 26.284 -23.437 565 HB3 LYS 75 2HB LYS 75 -8.731 24.690 -24.126 566 HG2 LYS 75 1HG LYS 75 -10.925 26.370 -22.946 567 HG3 LYS 75 2HG LYS 75 -10.462 26.434 -24.648 568 HD2 LYS 75 1HD LYS 75 -10.969 24.070 -24.897 569 HD3 LYS 75 2HD LYS 75 -11.360 23.954 -23.180 570 HE2 LYS 75 1HE LYS 75 -13.148 25.667 -23.568 571 HE3 LYS 75 2HE LYS 75 -12.824 25.525 -25.295 572 HZ1 LYS 75 3HZ LYS 75 -13.701 23.314 -23.516 573 HZ2 LYS 75 1HZ LYS 75 -13.396 23.182 -25.175 574 HZ3 LYS 75 2HZ LYS 75 -14.681 24.135 -24.624 575 H LEU 76 H LEU 76 -7.975 24.189 -19.746 576 HA LEU 76 HA LEU 76 -5.196 24.418 -20.665 577 HB2 LEU 76 1HB LEU 76 -6.239 24.291 -17.841 578 HB3 LEU 76 2HB LEU 76 -4.588 24.649 -18.341 579 HG LEU 76 HG LEU 76 -6.724 26.456 -19.326 580 HD11 LEU 76 1HD1 LEU 76 -6.656 27.750 -17.229 581 HD12 LEU 76 2HD1 LEU 76 -5.764 26.433 -16.469 582 HD13 LEU 76 3HD1 LEU 76 -7.414 26.170 -17.030 583 HD21 LEU 76 3HD2 LEU 76 -3.862 26.423 -19.000 584 HD22 LEU 76 1HD2 LEU 76 -4.566 27.843 -18.225 585 HD23 LEU 76 2HD2 LEU 76 -4.874 27.527 -19.933 586 H MET 77 H MET 77 -3.851 22.710 -20.687 587 HA MET 77 HA MET 77 -4.794 20.195 -19.482 588 HB2 MET 77 1HB MET 77 -3.629 20.652 -22.221 589 HB3 MET 77 2HB MET 77 -3.601 19.070 -21.453 590 HG2 MET 77 1HG MET 77 -5.500 18.949 -22.736 591 HG3 MET 77 2HG MET 77 -6.146 19.435 -21.170 592 HE1 MET 77 3HE MET 77 -8.548 20.497 -23.052 593 HE2 MET 77 1HE MET 77 -8.039 20.395 -21.366 594 HE3 MET 77 2HE MET 77 -8.432 21.961 -22.074 595 H SER 78 H SER 78 -3.444 19.612 -17.924 596 HA SER 78 HA SER 78 -0.562 19.766 -18.402 597 HB2 SER 78 1HB SER 78 -1.815 20.742 -15.827 598 HB3 SER 78 2HB SER 78 -0.106 20.782 -16.260 599 HG SER 78 HG SER 78 -1.798 22.686 -16.636 600 H VAL 79 H VAL 79 -0.128 17.641 -18.399 601 HA VAL 79 HA VAL 79 -1.211 15.991 -16.217 602 HB VAL 79 HB VAL 79 -0.654 14.043 -17.592 603 HG11 VAL 79 1HG1 VAL 79 -2.120 15.133 -19.693 604 HG12 VAL 79 2HG1 VAL 79 -2.758 14.323 -18.261 605 HG13 VAL 79 3HG1 VAL 79 -2.583 16.078 -18.278 606 HG21 VAL 79 3HG2 VAL 79 0.386 16.120 -19.501 607 HG22 VAL 79 1HG2 VAL 79 1.239 14.735 -18.819 608 HG23 VAL 79 2HG2 VAL 79 -0.036 14.486 -20.012 609 H SER 80 H SER 80 0.104 15.176 -14.709 610 HA SER 80 HA SER 80 2.943 14.851 -15.230 611 HB2 SER 80 1HB SER 80 1.971 16.601 -12.959 612 HB3 SER 80 2HB SER 80 3.648 16.182 -13.308 613 HG SER 80 HG SER 80 1.898 17.683 -14.965 614 H PHE 81 H PHE 81 3.100 12.756 -14.729 615 HA PHE 81 HA PHE 81 2.184 11.917 -12.062 616 HB2 PHE 81 1HB PHE 81 1.741 9.643 -13.117 617 HB3 PHE 81 2HB PHE 81 0.601 10.923 -13.521 618 HD1 PHE 81 HD2 PHE 81 0.692 11.999 -15.744 619 HD2 PHE 81 HD1 PHE 81 3.087 8.617 -14.774 620 HE1 PHE 81 HE2 PHE 81 1.089 11.598 -18.139 621 HE2 PHE 81 HE1 PHE 81 3.489 8.210 -17.167 622 HZ PHE 81 HZ PHE 81 2.488 9.701 -18.853 623 H SER 82 H SER 82 3.216 9.657 -11.560 624 HA SER 82 HA SER 82 5.925 9.993 -11.189 625 HB2 SER 82 1HB SER 82 4.831 8.354 -9.869 626 HB3 SER 82 2HB SER 82 4.240 7.492 -11.289 627 HG SER 82 HG SER 82 6.585 7.218 -9.973 628 H ASP 83 H ASP 83 7.766 9.452 -12.269 629 HA ASP 83 HA ASP 83 7.666 9.282 -15.087 630 HB2 ASP 83 1HB ASP 83 9.833 9.124 -13.032 631 HB3 ASP 83 2HB ASP 83 10.195 8.643 -14.687 632 H ILE 84 H ILE 84 6.493 7.481 -15.715 633 HA ILE 84 HA ILE 84 7.323 4.845 -14.824 634 HB ILE 84 HB ILE 84 5.486 4.002 -16.215 635 HG12 ILE 84 1HG1 ILE 84 5.066 6.915 -16.922 636 HG13 ILE 84 2HG1 ILE 84 5.607 5.653 -18.023 637 HG21 ILE 84 1HG2 ILE 84 4.233 6.274 -14.779 638 HG22 ILE 84 2HG2 ILE 84 3.868 4.551 -14.714 639 HG23 ILE 84 3HG2 ILE 84 5.266 5.188 -13.850 640 HD11 ILE 84 3HD1 ILE 84 3.299 4.578 -17.130 641 HD12 ILE 84 1HD1 ILE 84 2.914 6.298 -17.061 642 HD13 ILE 84 2HD1 ILE 84 3.441 5.572 -18.580 643 H ASP 85 H ASP 85 7.124 3.205 -16.882 644 HA ASP 85 HA ASP 85 9.540 3.326 -18.202 645 HB2 ASP 85 1HB ASP 85 7.777 1.400 -17.994 646 HB3 ASP 85 2HB ASP 85 7.193 2.023 -19.535 647 H GLU 86 H GLU 86 10.101 3.730 -20.412 648 HA GLU 86 HA GLU 86 8.987 6.167 -21.401 649 HB2 GLU 86 1HB GLU 86 10.634 5.916 -23.224 650 HB3 GLU 86 2HB GLU 86 11.362 5.735 -21.634 651 HG2 GLU 86 1HG GLU 86 10.857 3.174 -22.126 652 HG3 GLU 86 2HG GLU 86 10.986 3.745 -23.789 653 H ASN 87 H ASN 87 8.780 2.777 -22.315 654 HA ASN 87 HA ASN 87 7.648 2.957 -24.823 655 HB2 ASN 87 1HB ASN 87 8.292 0.879 -23.381 656 HB3 ASN 87 2HB ASN 87 6.614 0.947 -22.849 657 HD21 ASN 87 1HD2 ASN 87 8.698 -0.283 -25.111 658 HD22 ASN 87 2HD2 ASN 87 7.553 -0.742 -26.320 659 H MET 88 H MET 88 6.032 3.125 -21.671 660 HA MET 88 HA MET 88 3.426 3.462 -22.825 661 HB2 MET 88 1HB MET 88 4.223 2.599 -20.422 662 HB3 MET 88 2HB MET 88 3.958 4.290 -20.019 663 HG2 MET 88 1HG MET 88 1.925 3.333 -19.525 664 HG3 MET 88 2HG MET 88 1.664 3.962 -21.150 665 HE1 MET 88 3HE MET 88 1.490 1.681 -23.491 666 HE2 MET 88 1HE MET 88 -0.059 1.439 -22.683 667 HE3 MET 88 2HE MET 88 0.690 3.036 -22.693 668 H LYS 89 H LYS 89 6.013 5.547 -21.813 669 HA LYS 89 HA LYS 89 4.655 7.942 -21.405 670 HB2 LYS 89 1HB LYS 89 7.144 7.401 -21.068 671 HB3 LYS 89 2HB LYS 89 7.333 7.784 -22.774 672 HG2 LYS 89 1HG LYS 89 6.722 10.029 -22.449 673 HG3 LYS 89 2HG LYS 89 6.079 9.703 -20.838 674 HD2 LYS 89 1HD LYS 89 8.143 10.731 -20.438 675 HD3 LYS 89 2HD LYS 89 8.470 9.008 -20.231 676 HE2 LYS 89 1HE LYS 89 10.244 9.989 -21.523 677 HE3 LYS 89 2HE LYS 89 9.294 8.934 -22.567 678 HZ1 LYS 89 3HZ LYS 89 8.991 11.884 -22.418 679 HZ2 LYS 89 1HZ LYS 89 8.179 10.844 -23.477 680 HZ3 LYS 89 2HZ LYS 89 9.850 11.061 -23.620 681 H LYS 90 H LYS 90 5.701 6.396 -24.392 682 HA LYS 90 HA LYS 90 5.238 8.520 -26.156 683 HB2 LYS 90 1HB LYS 90 6.299 6.130 -26.505 684 HB3 LYS 90 2HB LYS 90 4.663 5.707 -26.991 685 HG2 LYS 90 1HG LYS 90 5.984 8.091 -28.201 686 HG3 LYS 90 2HG LYS 90 6.405 6.472 -28.765 687 HD2 LYS 90 1HD LYS 90 3.992 6.044 -29.168 688 HD3 LYS 90 2HD LYS 90 3.657 7.720 -28.725 689 HE2 LYS 90 1HE LYS 90 5.477 6.862 -30.972 690 HE3 LYS 90 2HE LYS 90 3.795 7.350 -31.174 691 HZ1 LYS 90 3HZ LYS 90 6.111 8.971 -30.920 692 HZ2 LYS 90 1HZ LYS 90 4.983 9.364 -29.722 693 HZ3 LYS 90 2HZ LYS 90 4.538 9.417 -31.352 694 H VAL 91 H VAL 91 3.082 5.869 -25.162 695 HA VAL 91 HA VAL 91 0.862 6.659 -26.692 696 HB VAL 91 HB VAL 91 0.769 5.216 -24.041 697 HG11 VAL 91 1HG1 VAL 91 -1.415 5.859 -24.712 698 HG12 VAL 91 2HG1 VAL 91 -1.118 5.370 -26.382 699 HG13 VAL 91 3HG1 VAL 91 -1.243 4.151 -25.113 700 HG21 VAL 91 3HG2 VAL 91 2.087 3.711 -25.067 701 HG22 VAL 91 1HG2 VAL 91 0.615 3.273 -25.934 702 HG23 VAL 91 2HG2 VAL 91 1.774 4.380 -26.669 703 H ILE 92 H ILE 92 1.573 7.231 -23.246 704 HA ILE 92 HA ILE 92 -0.664 8.787 -22.664 705 HB ILE 92 HB ILE 92 2.096 8.986 -21.453 706 HG12 ILE 92 1HG1 ILE 92 -0.279 7.548 -20.294 707 HG13 ILE 92 2HG1 ILE 92 0.804 6.745 -21.425 708 HG21 ILE 92 1HG2 ILE 92 1.245 10.811 -20.473 709 HG22 ILE 92 2HG2 ILE 92 -0.408 10.402 -20.928 710 HG23 ILE 92 3HG2 ILE 92 0.319 9.670 -19.498 711 HD11 ILE 92 3HD1 ILE 92 1.292 7.638 -18.635 712 HD12 ILE 92 1HD1 ILE 92 1.720 6.124 -19.431 713 HD13 ILE 92 2HD1 ILE 92 2.646 7.588 -19.764 714 H LYS 93 H LYS 93 2.561 9.789 -23.763 715 HA LYS 93 HA LYS 93 2.117 12.554 -23.719 716 HB2 LYS 93 1HB LYS 93 4.336 11.419 -23.976 717 HB3 LYS 93 2HB LYS 93 3.900 11.049 -25.639 718 HG2 LYS 93 1HG LYS 93 3.830 13.375 -26.205 719 HG3 LYS 93 2HG LYS 93 4.055 13.837 -24.516 720 HD2 LYS 93 1HD LYS 93 6.166 14.079 -25.573 721 HD3 LYS 93 2HD LYS 93 6.259 12.613 -24.595 722 HE2 LYS 93 1HE LYS 93 7.240 12.031 -26.643 723 HE3 LYS 93 2HE LYS 93 5.612 11.358 -26.718 724 HZ1 LYS 93 3HZ LYS 93 6.615 12.755 -28.687 725 HZ2 LYS 93 1HZ LYS 93 6.027 14.053 -27.776 726 HZ3 LYS 93 2HZ LYS 93 4.971 12.840 -28.298 727 H ALA 94 H ALA 94 1.529 10.144 -26.235 728 HA ALA 94 HA ALA 94 0.833 11.917 -28.301 729 HB1 ALA 94 3HB ALA 94 1.342 9.595 -28.749 730 HB2 ALA 94 1HB ALA 94 -0.066 9.079 -27.820 731 HB3 ALA 94 2HB ALA 94 -0.282 9.971 -29.326 732 H THR 95 H THR 95 -1.217 10.174 -25.969 733 HA THR 95 HA THR 95 -3.677 11.182 -26.856 734 HB THR 95 HB THR 95 -3.006 10.412 -24.012 735 HG1 THR 95 HG1 THR 95 -3.750 8.305 -24.744 736 HG21 THR 95 3HG2 THR 95 -5.344 9.884 -23.810 737 HG22 THR 95 1HG2 THR 95 -5.615 10.225 -25.519 738 HG23 THR 95 2HG2 THR 95 -5.198 11.535 -24.413 739 H ALA 96 H ALA 96 -1.581 12.299 -24.201 740 HA ALA 96 HA ALA 96 -3.177 14.493 -23.454 741 HB1 ALA 96 3HB ALA 96 -1.504 13.646 -21.953 742 HB2 ALA 96 1HB ALA 96 -0.221 14.018 -23.105 743 HB3 ALA 96 2HB ALA 96 -1.122 15.325 -22.335 744 H GLU 97 H GLU 97 -0.715 14.097 -25.913 745 HA GLU 97 HA GLU 97 -0.389 16.880 -26.457 746 HB2 GLU 97 1HB GLU 97 1.402 15.438 -27.073 747 HB3 GLU 97 2HB GLU 97 0.332 14.386 -27.988 748 HG2 GLU 97 1HG GLU 97 0.504 15.625 -29.829 749 HG3 GLU 97 2HG GLU 97 0.309 17.135 -28.940 750 H LYS 98 H LYS 98 -2.477 14.340 -27.667 751 HA LYS 98 HA LYS 98 -3.432 15.583 -29.981 752 HB2 LYS 98 1HB LYS 98 -4.746 13.632 -28.090 753 HB3 LYS 98 2HB LYS 98 -5.480 14.144 -29.604 754 HG2 LYS 98 1HG LYS 98 -2.721 13.157 -29.823 755 HG3 LYS 98 2HG LYS 98 -3.921 11.961 -29.328 756 HD2 LYS 98 1HD LYS 98 -5.307 12.909 -31.309 757 HD3 LYS 98 2HD LYS 98 -3.756 13.542 -31.865 758 HE2 LYS 98 1HE LYS 98 -3.022 11.028 -31.334 759 HE3 LYS 98 2HE LYS 98 -4.725 10.747 -31.692 760 HZ1 LYS 98 3HZ LYS 98 -2.573 11.379 -33.471 761 HZ2 LYS 98 1HZ LYS 98 -3.902 12.405 -33.687 762 HZ3 LYS 98 2HZ LYS 98 -4.097 10.729 -33.812 763 H PHE 99 H PHE 99 -4.221 16.072 -26.620 764 HA PHE 99 HA PHE 99 -6.673 17.371 -26.848 765 HB2 PHE 99 1HB PHE 99 -4.453 17.415 -24.856 766 HB3 PHE 99 2HB PHE 99 -5.693 18.660 -24.739 767 HD1 PHE 99 HD1 PHE 99 -5.031 15.053 -24.565 768 HD2 PHE 99 HD2 PHE 99 -7.907 18.142 -24.016 769 HE1 PHE 99 HE1 PHE 99 -6.494 13.474 -23.374 770 HE2 PHE 99 HE2 PHE 99 -9.374 16.568 -22.823 771 HZ PHE 99 HZ PHE 99 -8.668 14.231 -22.500 772 H LYS 100 H LYS 100 -3.506 18.425 -27.705 773 HA LYS 100 HA LYS 100 -3.637 21.166 -27.522 774 HB2 LYS 100 1HB LYS 100 -1.720 19.697 -28.366 775 HB3 LYS 100 2HB LYS 100 -2.506 19.764 -29.938 776 HG2 LYS 100 1HG LYS 100 -2.212 22.118 -30.077 777 HG3 LYS 100 2HG LYS 100 -1.685 22.210 -28.395 778 HD2 LYS 100 1HD LYS 100 0.213 20.636 -29.117 779 HD3 LYS 100 2HD LYS 100 -0.229 21.083 -30.766 780 HE2 LYS 100 1HE LYS 100 0.011 23.494 -30.027 781 HE3 LYS 100 2HE LYS 100 0.751 22.872 -28.553 782 HZ1 LYS 100 3HZ LYS 100 1.810 21.929 -31.111 783 HZ2 LYS 100 1HZ LYS 100 2.613 22.219 -29.650 784 HZ3 LYS 100 2HZ LYS 100 2.179 23.514 -30.648 785 H ASN 101 H ASN 101 -5.246 19.052 -29.793 786 HA ASN 101 HA ASN 101 -5.960 20.803 -31.802 787 HB2 ASN 101 1HB ASN 101 -7.397 18.447 -30.596 788 HB3 ASN 101 2HB ASN 101 -8.088 19.352 -31.940 789 HD21 ASN 101 1HD2 ASN 101 -6.949 16.571 -31.592 790 HD22 ASN 101 2HD2 ASN 101 -5.843 16.404 -32.909 791 H LYS 102 H LYS 102 -7.327 20.445 -28.589 792 HA LYS 102 HA LYS 102 -8.972 22.835 -29.094 793 HB2 LYS 102 1HB LYS 102 -10.190 20.547 -28.848 794 HB3 LYS 102 2HB LYS 102 -9.816 20.720 -27.138 795 HG2 LYS 102 1HG LYS 102 -11.889 21.660 -27.195 796 HG3 LYS 102 2HG LYS 102 -10.897 23.092 -27.478 797 HD2 LYS 102 1HD LYS 102 -11.405 23.144 -29.752 798 HD3 LYS 102 2HD LYS 102 -11.918 21.455 -29.772 799 HE2 LYS 102 1HE LYS 102 -13.376 23.630 -28.281 800 HE3 LYS 102 2HE LYS 102 -13.774 23.139 -29.927 801 HZ1 LYS 102 3HZ LYS 102 -13.612 20.881 -28.221 802 HZ2 LYS 102 1HZ LYS 102 -14.914 21.421 -29.157 803 HZ3 LYS 102 2HZ LYS 102 -14.698 22.013 -27.587 804 H GLY 103 H GLY 103 -6.261 22.447 -27.922 805 HA2 GLY 103 1HA GLY 103 -6.583 24.220 -25.704 806 HA3 GLY 103 2HA GLY 103 -6.152 22.601 -25.175 807 H PHE 104 H PHE 104 -5.114 25.332 -27.149 808 HA PHE 104 HA PHE 104 -2.637 24.456 -27.982 809 HB2 PHE 104 1HB PHE 104 -3.362 27.242 -27.052 810 HB3 PHE 104 2HB PHE 104 -1.975 26.826 -28.053 811 HD1 PHE 104 HD1 PHE 104 -2.468 25.682 -30.304 812 HD2 PHE 104 HD2 PHE 104 -5.381 27.799 -28.036 813 HE1 PHE 104 HE1 PHE 104 -3.844 25.947 -32.326 814 HE2 PHE 104 HE2 PHE 104 -6.763 28.067 -30.054 815 HZ PHE 104 HZ PHE 104 -5.995 27.140 -32.203 816 H LYS 105 H LYS 105 -3.651 25.468 -24.807 817 HA LYS 105 HA LYS 105 -0.927 25.530 -23.791 818 HB2 LYS 105 1HB LYS 105 -2.058 26.045 -21.611 819 HB3 LYS 105 2HB LYS 105 -2.384 27.201 -22.895 820 HG2 LYS 105 1HG LYS 105 -4.325 25.018 -22.729 821 HG3 LYS 105 2HG LYS 105 -4.266 26.056 -21.302 822 HD2 LYS 105 1HD LYS 105 -4.535 27.075 -24.128 823 HD3 LYS 105 2HD LYS 105 -5.898 26.791 -23.043 824 HE2 LYS 105 1HE LYS 105 -3.837 28.380 -21.777 825 HE3 LYS 105 2HE LYS 105 -4.397 29.122 -23.275 826 HZ1 LYS 105 3HZ LYS 105 -5.614 29.565 -21.024 827 HZ2 LYS 105 1HZ LYS 105 -6.393 28.107 -21.384 828 HZ3 LYS 105 2HZ LYS 105 -6.494 29.408 -22.460 829 H VAL 106 H VAL 106 -0.706 23.203 -24.481 830 HA VAL 106 HA VAL 106 -1.705 21.415 -22.359 831 HB VAL 106 HB VAL 106 -2.621 20.793 -24.531 832 HG11 VAL 106 1HG1 VAL 106 -0.223 21.652 -25.554 833 HG12 VAL 106 2HG1 VAL 106 -0.113 19.898 -25.720 834 HG13 VAL 106 3HG1 VAL 106 -1.464 20.770 -26.444 835 HG21 VAL 106 3HG2 VAL 106 -0.930 18.535 -24.514 836 HG22 VAL 106 1HG2 VAL 106 -1.044 19.107 -22.849 837 HG23 VAL 106 2HG2 VAL 106 -2.509 18.716 -23.750 838 H GLU 107 H GLU 107 -0.228 20.518 -21.080 839 HA GLU 107 HA GLU 107 2.519 20.207 -22.067 840 HB2 GLU 107 1HB GLU 107 1.639 21.609 -19.555 841 HB3 GLU 107 2HB GLU 107 3.238 20.889 -19.683 842 HG2 GLU 107 1HG GLU 107 3.573 22.281 -21.754 843 HG3 GLU 107 2HG GLU 107 2.086 23.124 -21.324 844 H THR 108 H THR 108 3.730 18.557 -21.051 845 HA THR 108 HA THR 108 2.255 16.780 -19.242 846 HB THR 108 HB THR 108 2.721 14.816 -20.494 847 HG1 THR 108 HG1 THR 108 4.261 14.720 -21.970 848 HG21 THR 108 3HG2 THR 108 1.240 15.084 -22.213 849 HG22 THR 108 1HG2 THR 108 1.990 16.577 -22.775 850 HG23 THR 108 2HG2 THR 108 0.944 16.596 -21.355 851 H ASP 109 H ASP 109 3.562 15.422 -17.955 852 HA ASP 109 HA ASP 109 6.319 16.388 -17.687 853 HB2 ASP 109 1HB ASP 109 4.584 16.396 -15.753 854 HB3 ASP 109 2HB ASP 109 4.914 14.668 -15.663 855 H MET 110 H MET 110 7.598 15.180 -18.973 856 HA MET 110 HA MET 110 7.217 12.490 -19.637 857 HB2 MET 110 1HB MET 110 9.822 14.021 -19.538 858 HB3 MET 110 2HB MET 110 9.534 12.530 -20.424 859 HG2 MET 110 1HG MET 110 7.814 13.734 -21.759 860 HG3 MET 110 2HG MET 110 8.300 15.221 -20.948 861 HE1 MET 110 3HE MET 110 9.651 14.828 -24.826 862 HE2 MET 110 1HE MET 110 8.627 13.524 -24.224 863 HE3 MET 110 2HE MET 110 8.189 15.204 -23.914 Start of MODEL 4 1 H MET 1 H MET 1 3.161 -0.815 -1.942 2 HA MET 1 HA MET 1 1.697 0.765 -0.093 3 HB2 MET 1 1HB MET 1 3.986 2.024 -1.554 4 HB3 MET 1 2HB MET 1 2.536 2.970 -1.245 5 HG2 MET 1 1HG MET 1 3.972 3.457 0.529 6 HG3 MET 1 2HG MET 1 2.801 2.317 1.187 7 HE1 MET 1 3HE MET 1 7.262 1.956 1.210 8 HE2 MET 1 1HE MET 1 6.429 2.943 0.008 9 HE3 MET 1 2HE MET 1 6.193 3.261 1.727 10 H THR 2 H THR 2 0.009 1.976 -1.097 11 HA THR 2 HA THR 2 -0.756 0.873 -3.670 12 HB THR 2 HB THR 2 -2.358 2.839 -2.040 13 HG1 THR 2 HG1 THR 2 -1.958 0.065 -1.673 14 HG21 THR 2 3HG2 THR 2 -3.043 0.747 -4.101 15 HG22 THR 2 1HG2 THR 2 -3.256 2.493 -4.225 16 HG23 THR 2 2HG2 THR 2 -4.247 1.560 -3.102 17 H LEU 3 H LEU 3 -1.085 2.020 -5.541 18 HA LEU 3 HA LEU 3 -0.011 4.760 -5.562 19 HB2 LEU 3 1HB LEU 3 -0.168 2.756 -7.808 20 HB3 LEU 3 2HB LEU 3 0.513 4.377 -7.921 21 HG LEU 3 HG LEU 3 1.611 2.051 -6.348 22 HD11 LEU 3 1HD1 LEU 3 3.410 2.073 -7.879 23 HD12 LEU 3 2HD1 LEU 3 2.879 3.594 -8.596 24 HD13 LEU 3 3HD1 LEU 3 1.937 2.124 -8.849 25 HD21 LEU 3 3HD2 LEU 3 3.484 3.595 -5.828 26 HD22 LEU 3 1HD2 LEU 3 1.963 4.046 -5.059 27 HD23 LEU 3 2HD2 LEU 3 2.523 4.921 -6.484 28 H CYS 4 H CYS 4 -1.616 6.193 -5.552 29 HA CYS 4 HA CYS 4 -3.966 5.669 -7.249 30 HB2 CYS 4 1HB CYS 4 -3.860 7.534 -4.876 31 HB3 CYS 4 2HB CYS 4 -5.288 6.997 -5.753 32 HG CYS 4 HG CYS 4 -5.056 5.832 -3.136 33 H ALA 5 H ALA 5 -4.522 7.120 -8.781 34 HA ALA 5 HA ALA 5 -2.763 9.457 -9.091 35 HB1 ALA 5 3HB ALA 5 -4.422 8.777 -11.387 36 HB2 ALA 5 1HB ALA 5 -2.681 9.044 -11.283 37 HB3 ALA 5 2HB ALA 5 -3.357 7.463 -10.885 38 H MET 6 H MET 6 -3.617 11.489 -9.557 39 HA MET 6 HA MET 6 -6.463 11.795 -8.878 40 HB2 MET 6 1HB MET 6 -4.052 13.505 -8.410 41 HB3 MET 6 2HB MET 6 -5.635 14.263 -8.521 42 HG2 MET 6 1HG MET 6 -5.366 11.933 -6.715 43 HG3 MET 6 2HG MET 6 -4.596 13.440 -6.225 44 HE1 MET 6 3HE MET 6 -7.073 11.398 -5.428 45 HE2 MET 6 1HE MET 6 -8.550 12.295 -5.073 46 HE3 MET 6 2HE MET 6 -8.260 11.683 -6.701 47 H TYR 7 H TYR 7 -7.799 12.362 -10.454 48 HA TYR 7 HA TYR 7 -6.689 13.755 -12.802 49 HB2 TYR 7 1HB TYR 7 -7.675 11.304 -12.948 50 HB3 TYR 7 2HB TYR 7 -9.210 12.164 -12.997 51 HD1 TYR 7 HD1 TYR 7 -8.846 14.428 -14.642 52 HD2 TYR 7 HD2 TYR 7 -7.044 10.594 -15.044 53 HE1 TYR 7 HE1 TYR 7 -8.548 14.827 -17.051 54 HE2 TYR 7 HE2 TYR 7 -6.740 10.983 -17.453 55 HH TYR 7 HH TYR 7 -8.004 13.890 -19.019 56 H ASN 8 H ASN 8 -7.218 15.839 -12.589 57 HA ASN 8 HA ASN 8 -9.837 16.568 -11.516 58 HB2 ASN 8 1HB ASN 8 -8.016 17.777 -10.531 59 HB3 ASN 8 2HB ASN 8 -7.359 18.189 -12.113 60 HD21 ASN 8 1HD2 ASN 8 -9.354 19.158 -9.590 61 HD22 ASN 8 2HD2 ASN 8 -10.076 20.530 -10.350 62 H ILE 9 H ILE 9 -11.366 16.421 -13.055 63 HA ILE 9 HA ILE 9 -10.824 17.680 -15.662 64 HB ILE 9 HB ILE 9 -11.375 15.305 -15.841 65 HG12 ILE 9 1HG1 ILE 9 -13.612 17.102 -16.803 66 HG13 ILE 9 2HG1 ILE 9 -12.081 16.838 -17.630 67 HG21 ILE 9 1HG2 ILE 9 -12.731 15.205 -13.756 68 HG22 ILE 9 2HG2 ILE 9 -14.043 15.998 -14.626 69 HG23 ILE 9 3HG2 ILE 9 -13.483 14.407 -15.137 70 HD11 ILE 9 3HD1 ILE 9 -12.925 15.084 -18.668 71 HD12 ILE 9 1HD1 ILE 9 -13.300 14.316 -17.125 72 HD13 ILE 9 2HD1 ILE 9 -14.476 15.388 -17.886 73 H SER 10 H SER 10 -11.916 19.456 -16.195 74 HA SER 10 HA SER 10 -14.445 20.040 -14.819 75 HB2 SER 10 1HB SER 10 -13.807 22.161 -14.150 76 HB3 SER 10 2HB SER 10 -12.285 21.290 -13.959 77 HG SER 10 HG SER 10 -11.836 23.131 -15.100 78 H MET 11 H MET 11 -16.017 20.443 -16.218 79 HA MET 11 HA MET 11 -15.399 20.870 -19.011 80 HB2 MET 11 1HB MET 11 -17.295 19.403 -17.977 81 HB3 MET 11 2HB MET 11 -18.176 20.923 -17.879 82 HG2 MET 11 1HG MET 11 -16.921 20.206 -20.469 83 HG3 MET 11 2HG MET 11 -18.362 19.324 -19.968 84 HE1 MET 11 3HE MET 11 -19.184 22.101 -22.728 85 HE2 MET 11 1HE MET 11 -17.502 22.341 -22.253 86 HE3 MET 11 2HE MET 11 -18.123 20.709 -22.507 87 H ALA 12 H ALA 12 -15.940 22.666 -20.234 88 HA ALA 12 HA ALA 12 -15.604 25.174 -19.136 89 HB1 ALA 12 3HB ALA 12 -15.544 24.405 -21.600 90 HB2 ALA 12 1HB ALA 12 -17.261 24.809 -21.603 91 HB3 ALA 12 2HB ALA 12 -16.062 26.050 -21.235 92 H GLY 13 H GLY 13 -16.820 26.078 -17.600 93 HA2 GLY 13 1HA GLY 13 -18.726 27.285 -16.923 94 HA3 GLY 13 2HA GLY 13 -19.678 26.405 -18.109 95 H SER 14 H SER 14 -17.523 24.864 -15.812 96 HA SER 14 HA SER 14 -19.677 24.177 -14.008 97 HB2 SER 14 1HB SER 14 -19.718 22.548 -16.022 98 HB3 SER 14 2HB SER 14 -18.246 21.877 -15.321 99 HG SER 14 HG SER 14 -19.394 20.967 -13.812 100 H HIS 15 H HIS 15 -18.953 23.238 -12.056 101 HA HIS 15 HA HIS 15 -16.427 24.107 -11.181 102 HB2 HIS 15 1HB HIS 15 -18.608 22.431 -10.032 103 HB3 HIS 15 2HB HIS 15 -17.032 22.378 -9.249 104 HD1 HIS 15 HD1 HIS 15 -18.124 23.532 -7.163 105 HD2 HIS 15 HD2 HIS 15 -18.108 25.827 -10.627 106 HE1 HIS 15 HE1 HIS 15 -18.642 25.878 -6.418 107 HA PRO 16 HA PRO 16 -13.640 20.858 -12.135 108 HB2 PRO 16 1HB PRO 16 -12.126 20.701 -9.887 109 HB3 PRO 16 2HB PRO 16 -12.018 22.049 -11.026 110 HG2 PRO 16 1HG PRO 16 -13.489 21.880 -8.424 111 HG3 PRO 16 2HG PRO 16 -12.507 23.208 -9.070 112 HD2 PRO 16 1HD PRO 16 -15.213 23.213 -9.172 113 HD3 PRO 16 2HD PRO 16 -14.209 23.975 -10.422 114 H THR 17 H THR 17 -13.570 18.678 -12.088 115 HA THR 17 HA THR 17 -15.008 17.325 -9.901 116 HB THR 17 HB THR 17 -14.639 16.440 -12.769 117 HG1 THR 17 HG1 THR 17 -16.364 17.669 -12.942 118 HG21 THR 17 3HG2 THR 17 -15.472 15.004 -10.335 119 HG22 THR 17 1HG2 THR 17 -14.811 14.384 -11.848 120 HG23 THR 17 2HG2 THR 17 -16.523 14.793 -11.735 121 H THR 18 H THR 18 -13.696 16.335 -8.525 122 HA THR 18 HA THR 18 -11.018 15.558 -9.310 123 HB THR 18 HB THR 18 -12.355 15.129 -6.635 124 HG1 THR 18 HG1 THR 18 -10.731 17.317 -7.479 125 HG21 THR 18 3HG2 THR 18 -9.530 15.649 -6.576 126 HG22 THR 18 1HG2 THR 18 -9.871 14.302 -7.661 127 HG23 THR 18 2HG2 THR 18 -10.416 14.244 -5.984 128 H ILE 19 H ILE 19 -10.851 13.725 -10.446 129 HA ILE 19 HA ILE 19 -12.448 11.401 -9.602 130 HB ILE 19 HB ILE 19 -10.987 11.677 -12.222 131 HG12 ILE 19 1HG1 ILE 19 -13.870 12.354 -11.599 132 HG13 ILE 19 2HG1 ILE 19 -12.612 13.502 -12.044 133 HG21 ILE 19 1HG2 ILE 19 -11.686 9.414 -11.344 134 HG22 ILE 19 2HG2 ILE 19 -13.353 9.954 -11.533 135 HG23 ILE 19 3HG2 ILE 19 -12.297 9.844 -12.941 136 HD11 ILE 19 3HD1 ILE 19 -13.625 11.280 -13.801 137 HD12 ILE 19 1HD1 ILE 19 -14.120 12.970 -13.902 138 HD13 ILE 19 2HD1 ILE 19 -12.449 12.519 -14.241 139 H CYS 20 H CYS 20 -11.301 10.238 -8.184 140 HA CYS 20 HA CYS 20 -8.422 9.985 -8.447 141 HB2 CYS 20 1HB CYS 20 -9.617 10.286 -6.232 142 HB3 CYS 20 2HB CYS 20 -10.205 8.638 -6.417 143 HG CYS 20 HG CYS 20 -7.948 8.947 -4.609 144 H VAL 21 H VAL 21 -7.553 8.490 -9.706 145 HA VAL 21 HA VAL 21 -8.850 5.855 -9.876 146 HB VAL 21 HB VAL 21 -7.542 7.225 -12.226 147 HG11 VAL 21 1HG1 VAL 21 -8.399 5.418 -13.530 148 HG12 VAL 21 2HG1 VAL 21 -7.547 4.723 -12.150 149 HG13 VAL 21 3HG1 VAL 21 -9.310 4.787 -12.158 150 HG21 VAL 21 3HG2 VAL 21 -9.475 8.493 -11.905 151 HG22 VAL 21 1HG2 VAL 21 -9.972 7.266 -13.070 152 HG23 VAL 21 2HG2 VAL 21 -10.415 7.100 -11.371 153 H VAL 22 H VAL 22 -7.525 4.206 -9.471 154 HA VAL 22 HA VAL 22 -4.944 4.483 -8.531 155 HB VAL 22 HB VAL 22 -4.677 2.050 -8.905 156 HG11 VAL 22 1HG1 VAL 22 -7.060 3.235 -7.591 157 HG12 VAL 22 2HG1 VAL 22 -6.981 1.477 -7.721 158 HG13 VAL 22 3HG1 VAL 22 -5.698 2.360 -6.892 159 HG21 VAL 22 3HG2 VAL 22 -7.166 2.453 -10.524 160 HG22 VAL 22 1HG2 VAL 22 -5.690 1.586 -10.947 161 HG23 VAL 22 2HG2 VAL 22 -6.814 0.895 -9.777 162 H MET 23 H MET 23 -2.887 3.983 -9.399 163 HA MET 23 HA MET 23 -2.310 5.102 -11.877 164 HB2 MET 23 1HB MET 23 -0.576 4.918 -10.246 165 HB3 MET 23 2HB MET 23 -0.746 3.169 -10.169 166 HG2 MET 23 1HG MET 23 1.251 3.837 -11.395 167 HG3 MET 23 2HG MET 23 0.119 2.955 -12.417 168 HE1 MET 23 3HE MET 23 2.615 5.119 -12.538 169 HE2 MET 23 1HE MET 23 2.301 4.676 -14.216 170 HE3 MET 23 2HE MET 23 2.279 6.372 -13.734 171 H ASP 24 H ASP 24 -3.302 1.886 -11.054 172 HA ASP 24 HA ASP 24 -2.409 0.599 -13.430 173 HB2 ASP 24 1HB ASP 24 -4.769 -0.329 -11.816 174 HB3 ASP 24 2HB ASP 24 -3.572 -1.293 -12.676 175 H ARG 25 H ARG 25 -5.158 2.540 -12.622 176 HA ARG 25 HA ARG 25 -6.347 1.940 -15.251 177 HB2 ARG 25 1HB ARG 25 -7.563 2.538 -12.592 178 HB3 ARG 25 2HB ARG 25 -8.406 3.086 -14.035 179 HG2 ARG 25 1HG ARG 25 -9.370 1.038 -13.721 180 HG3 ARG 25 2HG ARG 25 -8.052 0.616 -14.816 181 HD2 ARG 25 1HD ARG 25 -6.677 0.059 -12.796 182 HD3 ARG 25 2HD ARG 25 -8.130 0.282 -11.823 183 HE ARG 25 HE ARG 25 -8.892 -1.750 -12.554 184 HH11 ARG 25 1HH1 ARG 25 -6.260 -0.715 -14.584 185 HH12 ARG 25 2HH1 ARG 25 -6.146 -2.224 -15.428 186 HH21 ARG 25 1HH2 ARG 25 -8.752 -3.741 -13.658 187 HH22 ARG 25 2HH2 ARG 25 -7.564 -3.944 -14.902 188 H PHE 26 H PHE 26 -4.347 4.045 -13.999 189 HA PHE 26 HA PHE 26 -5.542 6.574 -14.402 190 HB2 PHE 26 1HB PHE 26 -3.567 6.502 -13.083 191 HB3 PHE 26 2HB PHE 26 -2.671 5.657 -14.341 192 HD1 PHE 26 HD1 PHE 26 -4.736 8.766 -14.293 193 HD2 PHE 26 HD2 PHE 26 -0.976 6.965 -15.152 194 HE1 PHE 26 HE1 PHE 26 -3.901 10.920 -15.139 195 HE2 PHE 26 HE2 PHE 26 -0.135 9.117 -15.998 196 HZ PHE 26 HZ PHE 26 -1.598 11.098 -15.992 197 H LEU 27 H LEU 27 -3.246 4.766 -16.447 198 HA LEU 27 HA LEU 27 -3.283 6.487 -18.633 199 HB2 LEU 27 1HB LEU 27 -1.653 4.703 -18.376 200 HB3 LEU 27 2HB LEU 27 -2.919 3.494 -18.579 201 HG LEU 27 HG LEU 27 -3.139 3.963 -20.878 202 HD11 LEU 27 1HD1 LEU 27 -1.450 5.888 -21.705 203 HD12 LEU 27 2HD1 LEU 27 -1.917 6.536 -20.133 204 HD13 LEU 27 3HD1 LEU 27 -3.152 6.167 -21.336 205 HD21 LEU 27 3HD2 LEU 27 -0.924 3.567 -21.747 206 HD22 LEU 27 1HD2 LEU 27 -1.129 2.672 -20.242 207 HD23 LEU 27 2HD2 LEU 27 -0.194 4.168 -20.257 208 H GLU 28 H GLU 28 -5.290 3.621 -18.002 209 HA GLU 28 HA GLU 28 -6.762 3.659 -20.373 210 HB2 GLU 28 1HB GLU 28 -6.788 1.777 -18.796 211 HB3 GLU 28 2HB GLU 28 -7.653 2.764 -17.626 212 HG2 GLU 28 1HG GLU 28 -9.086 1.172 -18.870 213 HG3 GLU 28 2HG GLU 28 -9.584 2.856 -19.017 214 H SER 29 H SER 29 -7.475 5.176 -17.238 215 HA SER 29 HA SER 29 -9.947 6.276 -17.856 216 HB2 SER 29 1HB SER 29 -8.993 6.257 -15.584 217 HB3 SER 29 2HB SER 29 -7.800 7.459 -16.077 218 HG SER 29 HG SER 29 -10.446 7.772 -15.420 219 H PHE 30 H PHE 30 -6.720 7.721 -18.236 220 HA PHE 30 HA PHE 30 -7.559 10.177 -19.287 221 HB2 PHE 30 1HB PHE 30 -5.235 9.538 -18.462 222 HB3 PHE 30 2HB PHE 30 -4.988 8.788 -20.035 223 HD1 PHE 30 HD2 PHE 30 -5.133 10.223 -22.095 224 HD2 PHE 30 HD1 PHE 30 -4.974 11.845 -18.163 225 HE1 PHE 30 HE2 PHE 30 -4.443 12.395 -23.022 226 HE2 PHE 30 HE1 PHE 30 -4.285 14.020 -19.084 227 HZ PHE 30 HZ PHE 30 -4.017 14.297 -21.516 228 H SER 31 H SER 31 -6.749 7.126 -20.884 229 HA SER 31 HA SER 31 -6.860 7.984 -23.532 230 HB2 SER 31 1HB SER 31 -6.005 5.803 -23.087 231 HB3 SER 31 2HB SER 31 -7.491 5.311 -22.276 232 HG SER 31 HG SER 31 -8.167 4.672 -24.147 233 H GLU 32 H GLU 32 -9.454 6.611 -21.517 234 HA GLU 32 HA GLU 32 -11.468 6.904 -23.496 235 HB2 GLU 32 1HB GLU 32 -11.755 5.295 -21.722 236 HB3 GLU 32 2HB GLU 32 -11.643 6.555 -20.501 237 HG2 GLU 32 1HG GLU 32 -13.935 5.893 -20.773 238 HG3 GLU 32 2HG GLU 32 -13.724 7.543 -21.357 239 H LEU 33 H LEU 33 -10.176 8.996 -21.028 240 HA LEU 33 HA LEU 33 -12.276 10.863 -20.887 241 HB2 LEU 33 1HB LEU 33 -10.141 10.569 -19.430 242 HB3 LEU 33 2HB LEU 33 -9.407 11.660 -20.604 243 HG LEU 33 HG LEU 33 -10.165 12.824 -18.577 244 HD11 LEU 33 1HD1 LEU 33 -12.058 13.846 -20.584 245 HD12 LEU 33 2HD1 LEU 33 -10.394 13.649 -21.133 246 HD13 LEU 33 3HD1 LEU 33 -10.747 14.663 -19.734 247 HD21 LEU 33 3HD2 LEU 33 -12.102 12.330 -17.619 248 HD22 LEU 33 1HD2 LEU 33 -12.459 11.196 -18.922 249 HD23 LEU 33 2HD2 LEU 33 -12.966 12.880 -19.055 250 H TYR 34 H TYR 34 -9.371 10.748 -22.921 251 HA TYR 34 HA TYR 34 -9.717 13.197 -24.223 252 HB2 TYR 34 1HB TYR 34 -7.626 12.073 -24.446 253 HB3 TYR 34 2HB TYR 34 -8.392 10.631 -25.103 254 HD1 TYR 34 HD2 TYR 34 -8.286 14.287 -25.907 255 HD2 TYR 34 HD1 TYR 34 -8.067 10.291 -27.353 256 HE1 TYR 34 HE2 TYR 34 -7.919 15.138 -28.186 257 HE2 TYR 34 HE1 TYR 34 -7.699 11.131 -29.635 258 HH TYR 34 HH TYR 34 -8.137 13.175 -30.938 259 H ASP 35 H ASP 35 -11.427 10.237 -24.532 260 HA ASP 35 HA ASP 35 -12.482 10.846 -27.164 261 HB2 ASP 35 1HB ASP 35 -12.436 8.534 -25.381 262 HB3 ASP 35 2HB ASP 35 -14.009 8.778 -26.136 263 H ILE 36 H ILE 36 -13.886 10.352 -23.921 264 HA ILE 36 HA ILE 36 -16.458 11.260 -24.560 265 HB ILE 36 HB ILE 36 -16.034 9.996 -22.529 266 HG12 ILE 36 1HG1 ILE 36 -17.037 12.787 -21.924 267 HG13 ILE 36 2HG1 ILE 36 -17.999 11.478 -22.602 268 HG21 ILE 36 1HG2 ILE 36 -14.738 12.410 -21.308 269 HG22 ILE 36 2HG2 ILE 36 -14.755 10.747 -20.723 270 HG23 ILE 36 3HG2 ILE 36 -13.794 11.174 -22.139 271 HD11 ILE 36 3HD1 ILE 36 -16.674 11.388 -19.904 272 HD12 ILE 36 1HD1 ILE 36 -18.354 11.845 -20.183 273 HD13 ILE 36 2HD1 ILE 36 -17.806 10.215 -20.578 274 H ILE 37 H ILE 37 -13.594 12.981 -23.439 275 HA ILE 37 HA ILE 37 -14.769 15.450 -22.859 276 HB ILE 37 HB ILE 37 -12.399 14.768 -22.346 277 HG12 ILE 37 1HG1 ILE 37 -11.573 17.204 -23.210 278 HG13 ILE 37 2HG1 ILE 37 -13.317 17.390 -23.355 279 HG21 ILE 37 1HG2 ILE 37 -11.738 15.751 -25.102 280 HG22 ILE 37 2HG2 ILE 37 -10.702 14.909 -23.951 281 HG23 ILE 37 3HG2 ILE 37 -12.004 14.041 -24.765 282 HD11 ILE 37 3HD1 ILE 37 -12.084 18.036 -21.153 283 HD12 ILE 37 1HD1 ILE 37 -13.655 17.238 -21.097 284 HD13 ILE 37 2HD1 ILE 37 -12.182 16.306 -20.829 285 H ASP 38 H ASP 38 -13.971 13.956 -25.894 286 HA ASP 38 HA ASP 38 -14.578 16.447 -27.328 287 HB2 ASP 38 1HB ASP 38 -12.468 14.962 -27.772 288 HB3 ASP 38 2HB ASP 38 -13.596 13.957 -28.678 289 H GLU 39 H GLU 39 -16.593 14.765 -26.023 290 HA GLU 39 HA GLU 39 -18.154 14.014 -28.407 291 HB2 GLU 39 1HB GLU 39 -17.915 12.678 -25.733 292 HB3 GLU 39 2HB GLU 39 -19.389 12.501 -26.675 293 HG2 GLU 39 1HG GLU 39 -16.654 11.845 -27.735 294 HG3 GLU 39 2HG GLU 39 -17.710 10.670 -26.952 295 H ASN 40 H ASN 40 -17.869 16.167 -25.906 296 HA ASN 40 HA ASN 40 -19.251 17.673 -24.900 297 HB2 ASN 40 1HB ASN 40 -20.502 17.269 -27.599 298 HB3 ASN 40 2HB ASN 40 -21.255 18.344 -26.426 299 HD21 ASN 40 1HD2 ASN 40 -20.519 20.355 -26.245 300 HD22 ASN 40 2HD2 ASN 40 -19.094 20.967 -27.006 301 H ASP 41 H ASP 41 -19.713 14.846 -24.330 302 HA ASP 41 HA ASP 41 -22.605 14.814 -23.820 303 HB2 ASP 41 1HB ASP 41 -21.363 12.865 -24.978 304 HB3 ASP 41 2HB ASP 41 -20.751 12.488 -23.370 305 H THR 42 H THR 42 -22.780 16.091 -22.012 306 HA THR 42 HA THR 42 -21.075 15.632 -19.716 307 HB THR 42 HB THR 42 -23.521 17.383 -19.713 308 HG1 THR 42 HG1 THR 42 -20.950 17.948 -20.801 309 HG21 THR 42 3HG2 THR 42 -21.817 18.738 -18.275 310 HG22 THR 42 1HG2 THR 42 -20.973 17.194 -18.155 311 HG23 THR 42 2HG2 THR 42 -22.633 17.340 -17.575 312 H ASP 43 H ASP 43 -24.023 14.435 -20.915 313 HA ASP 43 HA ASP 43 -25.288 13.843 -18.425 314 HB2 ASP 43 1HB ASP 43 -26.478 14.036 -20.627 315 HB3 ASP 43 2HB ASP 43 -25.748 12.503 -21.095 316 H VAL 44 H VAL 44 -22.908 12.275 -20.408 317 HA VAL 44 HA VAL 44 -23.146 9.757 -18.962 318 HB VAL 44 HB VAL 44 -22.731 9.721 -21.397 319 HG11 VAL 44 1HG1 VAL 44 -20.111 11.005 -20.635 320 HG12 VAL 44 2HG1 VAL 44 -20.461 10.302 -22.215 321 HG13 VAL 44 3HG1 VAL 44 -21.380 11.697 -21.646 322 HG21 VAL 44 3HG2 VAL 44 -21.602 8.142 -19.455 323 HG22 VAL 44 1HG2 VAL 44 -21.635 7.783 -21.182 324 HG23 VAL 44 2HG2 VAL 44 -20.220 8.559 -20.469 325 H MET 45 H MET 45 -21.418 12.679 -18.760 326 HA MET 45 HA MET 45 -18.937 11.946 -17.788 327 HB2 MET 45 1HB MET 45 -20.704 14.301 -17.472 328 HB3 MET 45 2HB MET 45 -19.427 14.126 -16.276 329 HG2 MET 45 1HG MET 45 -18.856 13.977 -19.212 330 HG3 MET 45 2HG MET 45 -18.946 15.517 -18.360 331 HE1 MET 45 3HE MET 45 -17.918 15.349 -15.792 332 HE2 MET 45 1HE MET 45 -16.174 15.112 -15.661 333 HE3 MET 45 2HE MET 45 -16.815 16.397 -16.686 334 H MET 46 H MET 46 -21.931 12.466 -15.930 335 HA MET 46 HA MET 46 -20.977 11.957 -13.392 336 HB2 MET 46 1HB MET 46 -23.311 11.182 -12.876 337 HB3 MET 46 2HB MET 46 -23.212 12.750 -13.666 338 HG2 MET 46 1HG MET 46 -23.643 11.541 -15.838 339 HG3 MET 46 2HG MET 46 -24.027 10.122 -14.866 340 HE1 MET 46 3HE MET 46 -26.018 13.862 -15.821 341 HE2 MET 46 1HE MET 46 -25.806 14.120 -14.089 342 HE3 MET 46 2HE MET 46 -24.409 13.766 -15.104 343 H ASP 47 H ASP 47 -22.206 9.620 -15.768 344 HA ASP 47 HA ASP 47 -21.871 7.336 -14.142 345 HB2 ASP 47 1HB ASP 47 -23.317 7.196 -16.049 346 HB3 ASP 47 2HB ASP 47 -22.017 7.664 -17.141 347 H PHE 48 H PHE 48 -19.739 9.006 -16.388 348 HA PHE 48 HA PHE 48 -17.706 7.047 -16.468 349 HB2 PHE 48 1HB PHE 48 -17.707 8.713 -18.171 350 HB3 PHE 48 2HB PHE 48 -17.689 10.018 -16.990 351 HD1 PHE 48 HD2 PHE 48 -15.675 7.305 -18.474 352 HD2 PHE 48 HD1 PHE 48 -15.665 10.844 -16.110 353 HE1 PHE 48 HE2 PHE 48 -13.219 7.380 -18.603 354 HE2 PHE 48 HE1 PHE 48 -13.209 10.925 -16.236 355 HZ PHE 48 HZ PHE 48 -11.983 9.191 -17.483 356 H ILE 49 H ILE 49 -18.198 9.895 -14.422 357 HA ILE 49 HA ILE 49 -15.761 9.650 -12.994 358 HB ILE 49 HB ILE 49 -18.332 11.005 -12.171 359 HG12 ILE 49 1HG1 ILE 49 -15.920 12.502 -13.064 360 HG13 ILE 49 2HG1 ILE 49 -16.858 11.674 -14.302 361 HG21 ILE 49 1HG2 ILE 49 -17.384 11.360 -10.197 362 HG22 ILE 49 2HG2 ILE 49 -15.939 10.490 -10.708 363 HG23 ILE 49 3HG2 ILE 49 -16.073 12.224 -11.000 364 HD11 ILE 49 3HD1 ILE 49 -17.394 14.124 -13.776 365 HD12 ILE 49 1HD1 ILE 49 -18.732 12.986 -13.932 366 HD13 ILE 49 2HD1 ILE 49 -18.183 13.490 -12.333 367 H SER 50 H SER 50 -19.054 8.511 -12.381 368 HA SER 50 HA SER 50 -18.448 7.411 -9.816 369 HB2 SER 50 1HB SER 50 -20.773 6.961 -11.699 370 HB3 SER 50 2HB SER 50 -20.677 6.285 -10.073 371 HG SER 50 HG SER 50 -20.333 9.046 -10.462 372 H ARG 51 H ARG 51 -18.214 6.290 -13.086 373 HA ARG 51 HA ARG 51 -18.090 3.498 -12.450 374 HB2 ARG 51 1HB ARG 51 -18.818 4.140 -14.651 375 HB3 ARG 51 2HB ARG 51 -17.341 5.052 -14.928 376 HG2 ARG 51 1HG ARG 51 -16.057 3.130 -15.196 377 HG3 ARG 51 2HG ARG 51 -17.260 2.106 -14.409 378 HD2 ARG 51 1HD ARG 51 -18.611 2.031 -16.275 379 HD3 ARG 51 2HD ARG 51 -17.982 3.547 -16.919 380 HE ARG 51 HE ARG 51 -15.921 1.646 -16.901 381 HH11 ARG 51 1HH1 ARG 51 -18.931 2.309 -18.520 382 HH12 ARG 51 2HH1 ARG 51 -18.466 1.516 -19.988 383 HH21 ARG 51 1HH2 ARG 51 -15.297 0.599 -18.829 384 HH22 ARG 51 2HH2 ARG 51 -16.400 0.542 -20.163 385 H PHE 52 H PHE 52 -15.687 5.974 -13.310 386 HA PHE 52 HA PHE 52 -13.483 4.170 -12.888 387 HB2 PHE 52 1HB PHE 52 -13.807 7.002 -13.734 388 HB3 PHE 52 2HB PHE 52 -12.266 6.552 -13.011 389 HD1 PHE 52 HD2 PHE 52 -14.511 6.073 -15.859 390 HD2 PHE 52 HD1 PHE 52 -10.755 5.050 -14.136 391 HE1 PHE 52 HE2 PHE 52 -13.772 5.159 -18.020 392 HE2 PHE 52 HE1 PHE 52 -10.010 4.135 -16.295 393 HZ PHE 52 HZ PHE 52 -11.519 4.188 -18.240 394 H ALA 53 H ALA 53 -14.563 7.172 -11.291 395 HA ALA 53 HA ALA 53 -12.817 6.769 -9.052 396 HB1 ALA 53 3HB ALA 53 -13.195 8.931 -8.727 397 HB2 ALA 53 1HB ALA 53 -14.289 8.912 -10.111 398 HB3 ALA 53 2HB ALA 53 -14.917 8.636 -8.486 399 H ARG 54 H ARG 54 -13.216 5.759 -7.181 400 HA ARG 54 HA ARG 54 -15.991 5.052 -6.520 401 HB2 ARG 54 1HB ARG 54 -13.602 3.216 -6.599 402 HB3 ARG 54 2HB ARG 54 -15.047 2.837 -5.671 403 HG2 ARG 54 1HG ARG 54 -16.343 2.536 -7.555 404 HG3 ARG 54 2HG ARG 54 -15.279 3.514 -8.568 405 HD2 ARG 54 1HD ARG 54 -15.194 1.037 -8.991 406 HD3 ARG 54 2HD ARG 54 -13.641 1.801 -8.654 407 HE ARG 54 HE ARG 54 -14.788 0.796 -6.271 408 HH11 ARG 54 1HH1 ARG 54 -13.192 -0.227 -9.191 409 HH12 ARG 54 2HH1 ARG 54 -12.531 -1.663 -8.482 410 HH21 ARG 54 1HH2 ARG 54 -13.924 -1.091 -5.326 411 HH22 ARG 54 2HH2 ARG 54 -12.949 -2.154 -6.283 412 H THR 55 H THR 55 -16.304 6.313 -4.778 413 HA THR 55 HA THR 55 -14.212 6.632 -2.785 414 HB THR 55 HB THR 55 -16.028 8.059 -1.645 415 HG1 THR 55 HG1 THR 55 -17.908 7.978 -2.599 416 HG21 THR 55 3HG2 THR 55 -15.599 9.956 -3.158 417 HG22 THR 55 1HG2 THR 55 -14.968 8.836 -4.365 418 HG23 THR 55 2HG2 THR 55 -14.134 9.033 -2.824 419 H ASP 56 H ASP 56 -14.276 4.304 -2.243 420 HA ASP 56 HA ASP 56 -16.561 3.559 -0.557 421 HB2 ASP 56 1HB ASP 56 -14.470 1.995 -2.024 422 HB3 ASP 56 2HB ASP 56 -15.262 1.277 -0.624 423 H GLU 57 H GLU 57 -13.046 2.946 -0.472 424 HA GLU 57 HA GLU 57 -12.949 3.942 2.268 425 HB2 GLU 57 1HB GLU 57 -13.412 1.616 2.635 426 HB3 GLU 57 2HB GLU 57 -12.193 1.132 1.464 427 HG2 GLU 57 1HG GLU 57 -10.438 1.985 2.910 428 HG3 GLU 57 2HG GLU 57 -11.645 2.525 4.076 429 H ILE 58 H ILE 58 -11.273 5.264 2.419 430 HA ILE 58 HA ILE 58 -8.942 4.787 0.679 431 HB ILE 58 HB ILE 58 -9.856 7.428 1.822 432 HG12 ILE 58 1HG1 ILE 58 -10.030 6.422 -1.025 433 HG13 ILE 58 2HG1 ILE 58 -11.389 6.500 0.090 434 HG21 ILE 58 1HG2 ILE 58 -8.087 7.601 -0.427 435 HG22 ILE 58 2HG2 ILE 58 -7.893 8.253 1.199 436 HG23 ILE 58 3HG2 ILE 58 -7.360 6.611 0.839 437 HD11 ILE 58 3HD1 ILE 58 -10.227 8.563 -1.555 438 HD12 ILE 58 1HD1 ILE 58 -11.775 8.527 -0.711 439 HD13 ILE 58 2HD1 ILE 58 -10.320 9.053 0.137 440 H MET 59 H MET 59 -7.055 4.383 1.631 441 HA MET 59 HA MET 59 -6.850 4.791 4.532 442 HB2 MET 59 1HB MET 59 -5.764 2.781 2.642 443 HB3 MET 59 2HB MET 59 -4.723 3.241 3.982 444 HG2 MET 59 1HG MET 59 -6.617 2.709 5.524 445 HG3 MET 59 2HG MET 59 -7.482 2.060 4.133 446 HE1 MET 59 3HE MET 59 -6.679 -1.324 3.944 447 HE2 MET 59 1HE MET 59 -7.378 -0.827 5.485 448 HE3 MET 59 2HE MET 59 -7.822 0.020 4.003 449 HA PRO 60 HA PRO 60 -3.684 7.808 4.198 450 HB2 PRO 60 1HB PRO 60 -1.988 7.108 6.199 451 HB3 PRO 60 2HB PRO 60 -3.579 7.820 6.493 452 HG2 PRO 60 1HG PRO 60 -2.739 4.948 6.600 453 HG3 PRO 60 2HG PRO 60 -3.784 5.850 7.713 454 HD2 PRO 60 1HD PRO 60 -4.768 4.198 5.807 455 HD3 PRO 60 2HD PRO 60 -5.625 5.659 6.339 456 H GLU 61 H GLU 61 -2.446 4.493 4.524 457 HA GLU 61 HA GLU 61 0.154 4.886 3.660 458 HB2 GLU 61 1HB GLU 61 -1.657 2.512 3.188 459 HB3 GLU 61 2HB GLU 61 0.081 2.504 2.926 460 HG2 GLU 61 1HG GLU 61 0.528 2.770 5.227 461 HG3 GLU 61 2HG GLU 61 -1.152 3.167 5.581 462 H ASP 62 H ASP 62 -2.803 4.837 1.835 463 HA ASP 62 HA ASP 62 -1.923 4.287 -0.724 464 HB2 ASP 62 1HB ASP 62 -4.046 6.204 0.242 465 HB3 ASP 62 2HB ASP 62 -3.787 5.846 -1.463 466 H LYS 63 H LYS 63 -0.200 5.116 -1.702 467 HA LYS 63 HA LYS 63 0.486 7.932 -1.283 468 HB2 LYS 63 1HB LYS 63 2.121 5.867 -1.129 469 HB3 LYS 63 2HB LYS 63 2.187 6.059 -2.876 470 HG2 LYS 63 1HG LYS 63 2.633 8.437 -1.138 471 HG3 LYS 63 2HG LYS 63 3.925 7.250 -1.336 472 HD2 LYS 63 1HD LYS 63 3.280 7.548 -3.896 473 HD3 LYS 63 2HD LYS 63 2.735 9.122 -3.313 474 HE2 LYS 63 1HE LYS 63 4.979 9.411 -4.000 475 HE3 LYS 63 2HE LYS 63 5.006 9.371 -2.238 476 HZ1 LYS 63 3HZ LYS 63 6.430 7.699 -2.337 477 HZ2 LYS 63 1HZ LYS 63 6.397 7.733 -4.028 478 HZ3 LYS 63 2HZ LYS 63 5.308 6.755 -3.181 479 H THR 64 H THR 64 0.661 9.400 -2.947 480 HA THR 64 HA THR 64 -1.038 9.012 -5.185 481 HB THR 64 HB THR 64 0.985 11.205 -5.200 482 HG1 THR 64 HG1 THR 64 0.361 11.933 -3.321 483 HG21 THR 64 3HG2 THR 64 -0.436 11.915 -6.763 484 HG22 THR 64 1HG2 THR 64 -1.638 12.151 -5.495 485 HG23 THR 64 2HG2 THR 64 -1.577 10.627 -6.380 486 H VAL 65 H VAL 65 -0.500 9.010 -7.413 487 HA VAL 65 HA VAL 65 2.199 7.965 -7.976 488 HB VAL 65 HB VAL 65 0.343 6.330 -8.307 489 HG11 VAL 65 1HG1 VAL 65 -1.054 8.403 -9.340 490 HG12 VAL 65 2HG1 VAL 65 -0.506 7.607 -10.816 491 HG13 VAL 65 3HG1 VAL 65 -1.444 6.707 -9.623 492 HG21 VAL 65 3HG2 VAL 65 1.411 5.358 -10.059 493 HG22 VAL 65 1HG2 VAL 65 1.387 6.829 -11.031 494 HG23 VAL 65 2HG2 VAL 65 2.575 6.644 -9.740 495 H GLY 66 H GLY 66 -0.251 10.269 -8.844 496 HA2 GLY 66 1HA GLY 66 1.461 12.043 -10.107 497 HA3 GLY 66 2HA GLY 66 0.807 11.018 -11.376 498 H PHE 67 H PHE 67 0.421 13.849 -11.069 499 HA PHE 67 HA PHE 67 -2.488 13.915 -10.598 500 HB2 PHE 67 1HB PHE 67 -0.630 16.285 -10.390 501 HB3 PHE 67 2HB PHE 67 -2.312 16.189 -9.879 502 HD1 PHE 67 HD2 PHE 67 1.134 15.237 -9.081 503 HD2 PHE 67 HD1 PHE 67 -2.923 15.164 -7.798 504 HE1 PHE 67 HE2 PHE 67 1.864 14.588 -6.822 505 HE2 PHE 67 HE1 PHE 67 -2.200 14.516 -5.537 506 HZ PHE 67 HZ PHE 67 0.196 14.226 -5.047 507 H VAL 68 H VAL 68 -3.784 14.757 -12.158 508 HA VAL 68 HA VAL 68 -2.493 15.902 -14.542 509 HB VAL 68 HB VAL 68 -4.710 13.849 -14.552 510 HG11 VAL 68 1HG1 VAL 68 -3.792 15.781 -16.549 511 HG12 VAL 68 2HG1 VAL 68 -3.872 14.118 -17.134 512 HG13 VAL 68 3HG1 VAL 68 -5.306 14.884 -16.449 513 HG21 VAL 68 3HG2 VAL 68 -2.706 12.688 -14.180 514 HG22 VAL 68 1HG2 VAL 68 -2.964 12.583 -15.921 515 HG23 VAL 68 2HG2 VAL 68 -1.796 13.733 -15.270 516 H VAL 69 H VAL 69 -3.222 17.895 -14.826 517 HA VAL 69 HA VAL 69 -5.863 18.634 -13.811 518 HB VAL 69 HB VAL 69 -3.707 20.427 -14.934 519 HG11 VAL 69 1HG1 VAL 69 -6.444 20.866 -14.103 520 HG12 VAL 69 2HG1 VAL 69 -5.312 21.852 -13.175 521 HG13 VAL 69 3HG1 VAL 69 -5.332 21.950 -14.936 522 HG21 VAL 69 3HG2 VAL 69 -3.421 21.024 -12.472 523 HG22 VAL 69 1HG2 VAL 69 -4.297 19.532 -12.128 524 HG23 VAL 69 2HG2 VAL 69 -2.767 19.474 -13.001 525 H VAL 70 H VAL 70 -7.552 19.099 -15.086 526 HA VAL 70 HA VAL 70 -7.123 19.647 -17.925 527 HB VAL 70 HB VAL 70 -8.959 17.464 -16.929 528 HG11 VAL 70 1HG1 VAL 70 -8.785 17.356 -19.705 529 HG12 VAL 70 2HG1 VAL 70 -10.171 17.883 -18.748 530 HG13 VAL 70 3HG1 VAL 70 -9.001 19.066 -19.332 531 HG21 VAL 70 3HG2 VAL 70 -6.963 16.372 -17.005 532 HG22 VAL 70 1HG2 VAL 70 -7.407 16.238 -18.706 533 HG23 VAL 70 2HG2 VAL 70 -6.272 17.484 -18.187 534 H ASN 71 H ASN 71 -8.067 21.568 -18.155 535 HA ASN 71 HA ASN 71 -10.798 21.902 -17.109 536 HB2 ASN 71 1HB ASN 71 -10.146 24.385 -16.869 537 HB3 ASN 71 2HB ASN 71 -9.560 23.260 -15.648 538 HD21 ASN 71 1HD2 ASN 71 -7.369 22.561 -15.764 539 HD22 ASN 71 2HD2 ASN 71 -6.177 23.551 -16.529 540 H ALA 72 H ALA 72 -12.118 22.019 -18.795 541 HA ALA 72 HA ALA 72 -11.231 22.785 -21.406 542 HB1 ALA 72 3HB ALA 72 -13.912 22.068 -20.259 543 HB2 ALA 72 1HB ALA 72 -13.720 22.602 -21.929 544 HB3 ALA 72 2HB ALA 72 -12.903 21.142 -21.370 545 H ASP 73 H ASP 73 -12.923 24.359 -18.777 546 HA ASP 73 HA ASP 73 -14.066 26.525 -20.049 547 HB2 ASP 73 1HB ASP 73 -13.506 27.755 -17.839 548 HB3 ASP 73 2HB ASP 73 -14.553 26.340 -17.771 549 H LYS 74 H LYS 74 -10.758 26.280 -18.760 550 HA LYS 74 HA LYS 74 -10.050 28.748 -20.166 551 HB2 LYS 74 1HB LYS 74 -8.944 27.249 -17.857 552 HB3 LYS 74 2HB LYS 74 -7.783 28.092 -18.874 553 HG2 LYS 74 1HG LYS 74 -8.231 29.742 -17.385 554 HG3 LYS 74 2HG LYS 74 -9.503 30.078 -18.561 555 HD2 LYS 74 1HD LYS 74 -11.122 28.903 -17.227 556 HD3 LYS 74 2HD LYS 74 -9.868 28.360 -16.109 557 HE2 LYS 74 1HE LYS 74 -10.485 31.265 -16.602 558 HE3 LYS 74 2HE LYS 74 -11.277 30.317 -15.344 559 HZ1 LYS 74 3HZ LYS 74 -9.570 30.993 -14.093 560 HZ2 LYS 74 1HZ LYS 74 -8.607 31.406 -15.422 561 HZ3 LYS 74 2HZ LYS 74 -8.677 29.800 -14.895 562 H LYS 75 H LYS 75 -9.987 25.441 -20.646 563 HA LYS 75 HA LYS 75 -9.045 24.106 -22.229 564 HB2 LYS 75 1HB LYS 75 -7.975 26.625 -23.500 565 HB3 LYS 75 2HB LYS 75 -8.302 25.083 -24.281 566 HG2 LYS 75 1HG LYS 75 -10.685 25.389 -23.940 567 HG3 LYS 75 2HG LYS 75 -10.383 26.908 -23.094 568 HD2 LYS 75 1HD LYS 75 -9.296 27.761 -25.175 569 HD3 LYS 75 2HD LYS 75 -9.819 26.286 -25.991 570 HE2 LYS 75 1HE LYS 75 -12.091 26.844 -25.769 571 HE3 LYS 75 2HE LYS 75 -11.755 28.079 -24.557 572 HZ1 LYS 75 3HZ LYS 75 -10.958 28.229 -27.414 573 HZ2 LYS 75 1HZ LYS 75 -10.701 29.424 -26.245 574 HZ3 LYS 75 2HZ LYS 75 -12.275 29.037 -26.726 575 H LEU 76 H LEU 76 -7.639 24.109 -19.995 576 HA LEU 76 HA LEU 76 -4.842 24.206 -20.907 577 HB2 LEU 76 1HB LEU 76 -5.572 24.623 -18.038 578 HB3 LEU 76 2HB LEU 76 -4.092 25.066 -18.886 579 HG LEU 76 HG LEU 76 -6.756 26.427 -19.275 580 HD11 LEU 76 1HD1 LEU 76 -5.113 28.252 -18.106 581 HD12 LEU 76 2HD1 LEU 76 -4.655 26.772 -17.264 582 HD13 LEU 76 3HD1 LEU 76 -6.336 27.305 -17.258 583 HD21 LEU 76 3HD2 LEU 76 -5.661 27.949 -20.640 584 HD22 LEU 76 1HD2 LEU 76 -4.935 26.412 -21.112 585 HD23 LEU 76 2HD2 LEU 76 -4.066 27.503 -20.032 586 H MET 77 H MET 77 -3.629 22.431 -20.515 587 HA MET 77 HA MET 77 -4.716 20.360 -18.741 588 HB2 MET 77 1HB MET 77 -5.395 19.634 -20.914 589 HB3 MET 77 2HB MET 77 -3.814 19.992 -21.597 590 HG2 MET 77 1HG MET 77 -2.815 18.168 -20.452 591 HG3 MET 77 2HG MET 77 -4.263 17.906 -19.483 592 HE1 MET 77 3HE MET 77 -6.665 16.844 -20.699 593 HE2 MET 77 1HE MET 77 -6.051 15.287 -21.257 594 HE3 MET 77 2HE MET 77 -5.431 15.995 -19.765 595 H SER 78 H SER 78 -3.239 19.456 -17.441 596 HA SER 78 HA SER 78 -0.407 19.589 -18.161 597 HB2 SER 78 1HB SER 78 -1.168 20.333 -15.362 598 HB3 SER 78 2HB SER 78 0.281 20.752 -16.277 599 HG SER 78 HG SER 78 -1.640 22.340 -15.895 600 H VAL 79 H VAL 79 0.084 17.488 -18.204 601 HA VAL 79 HA VAL 79 -0.930 15.746 -16.065 602 HB VAL 79 HB VAL 79 -0.318 13.862 -17.500 603 HG11 VAL 79 1HG1 VAL 79 -1.775 15.246 -19.547 604 HG12 VAL 79 2HG1 VAL 79 -2.338 14.017 -18.412 605 HG13 VAL 79 3HG1 VAL 79 -2.373 15.721 -17.958 606 HG21 VAL 79 3HG2 VAL 79 0.365 14.335 -19.863 607 HG22 VAL 79 1HG2 VAL 79 0.638 16.010 -19.384 608 HG23 VAL 79 2HG2 VAL 79 1.591 14.717 -18.654 609 H SER 80 H SER 80 0.399 14.888 -14.590 610 HA SER 80 HA SER 80 3.252 14.687 -15.098 611 HB2 SER 80 1HB SER 80 2.861 16.993 -14.168 612 HB3 SER 80 2HB SER 80 2.254 16.233 -12.697 613 HG SER 80 HG SER 80 4.231 15.815 -12.117 614 H PHE 81 H PHE 81 3.420 12.558 -14.731 615 HA PHE 81 HA PHE 81 2.590 11.575 -12.087 616 HB2 PHE 81 1HB PHE 81 2.080 9.366 -13.223 617 HB3 PHE 81 2HB PHE 81 0.948 10.673 -13.554 618 HD1 PHE 81 HD1 PHE 81 1.055 11.863 -15.736 619 HD2 PHE 81 HD2 PHE 81 3.324 8.349 -14.948 620 HE1 PHE 81 HE1 PHE 81 1.393 11.543 -18.152 621 HE2 PHE 81 HE2 PHE 81 3.666 8.024 -17.363 622 HZ PHE 81 HZ PHE 81 2.701 9.623 -18.969 623 H SER 82 H SER 82 3.637 9.295 -11.742 624 HA SER 82 HA SER 82 6.360 9.608 -11.466 625 HB2 SER 82 1HB SER 82 5.542 7.882 -10.168 626 HB3 SER 82 2HB SER 82 4.546 7.232 -11.470 627 HG SER 82 HG SER 82 6.759 6.237 -10.725 628 H ASP 83 H ASP 83 8.174 8.903 -12.585 629 HA ASP 83 HA ASP 83 7.958 8.947 -15.429 630 HB2 ASP 83 1HB ASP 83 10.292 8.431 -13.581 631 HB3 ASP 83 2HB ASP 83 10.440 8.503 -15.335 632 H ILE 84 H ILE 84 6.655 7.154 -15.948 633 HA ILE 84 HA ILE 84 7.545 4.490 -15.253 634 HB ILE 84 HB ILE 84 5.619 3.697 -16.505 635 HG12 ILE 84 1HG1 ILE 84 5.234 6.601 -17.265 636 HG13 ILE 84 2HG1 ILE 84 5.678 5.293 -18.356 637 HG21 ILE 84 1HG2 ILE 84 5.552 5.188 -14.194 638 HG22 ILE 84 2HG2 ILE 84 4.267 5.900 -15.169 639 HG23 ILE 84 3HG2 ILE 84 4.247 4.174 -14.810 640 HD11 ILE 84 3HD1 ILE 84 3.427 5.540 -18.754 641 HD12 ILE 84 1HD1 ILE 84 3.452 4.228 -17.576 642 HD13 ILE 84 2HD1 ILE 84 3.055 5.868 -17.062 643 H ASP 85 H ASP 85 7.172 2.949 -17.387 644 HA ASP 85 HA ASP 85 9.521 3.067 -18.821 645 HB2 ASP 85 1HB ASP 85 6.875 1.818 -19.579 646 HB3 ASP 85 2HB ASP 85 8.371 1.548 -20.469 647 H GLU 86 H GLU 86 10.000 3.591 -21.018 648 HA GLU 86 HA GLU 86 8.972 6.121 -21.813 649 HB2 GLU 86 1HB GLU 86 10.452 5.856 -23.776 650 HB3 GLU 86 2HB GLU 86 11.283 5.547 -22.257 651 HG2 GLU 86 1HG GLU 86 12.056 3.771 -23.406 652 HG3 GLU 86 2HG GLU 86 10.551 3.052 -22.836 653 H ASN 87 H ASN 87 8.557 2.820 -23.011 654 HA ASN 87 HA ASN 87 7.183 3.295 -25.354 655 HB2 ASN 87 1HB ASN 87 6.966 1.079 -23.326 656 HB3 ASN 87 2HB ASN 87 5.992 1.078 -24.794 657 HD21 ASN 87 1HD2 ASN 87 8.818 0.054 -23.442 658 HD22 ASN 87 2HD2 ASN 87 9.722 -0.260 -24.881 659 H MET 88 H MET 88 5.931 3.206 -22.046 660 HA MET 88 HA MET 88 3.212 3.636 -22.857 661 HB2 MET 88 1HB MET 88 4.223 2.569 -20.652 662 HB3 MET 88 2HB MET 88 4.136 4.230 -20.083 663 HG2 MET 88 1HG MET 88 1.923 4.155 -19.845 664 HG3 MET 88 2HG MET 88 1.693 3.332 -21.386 665 HE1 MET 88 3HE MET 88 -0.011 1.874 -18.200 666 HE2 MET 88 1HE MET 88 1.464 2.189 -17.286 667 HE3 MET 88 2HE MET 88 0.781 3.446 -18.316 668 H LYS 89 H LYS 89 5.886 5.635 -21.783 669 HA LYS 89 HA LYS 89 4.529 7.996 -21.201 670 HB2 LYS 89 1HB LYS 89 7.296 7.325 -22.081 671 HB3 LYS 89 2HB LYS 89 6.798 9.010 -22.155 672 HG2 LYS 89 1HG LYS 89 6.154 8.846 -19.749 673 HG3 LYS 89 2HG LYS 89 6.878 7.236 -19.727 674 HD2 LYS 89 1HD LYS 89 9.020 8.245 -20.471 675 HD3 LYS 89 2HD LYS 89 8.275 9.840 -20.339 676 HE2 LYS 89 1HE LYS 89 8.064 9.665 -18.006 677 HE3 LYS 89 2HE LYS 89 8.335 7.923 -18.027 678 HZ1 LYS 89 3HZ LYS 89 10.494 9.566 -19.070 679 HZ2 LYS 89 1HZ LYS 89 10.557 8.180 -18.101 680 HZ3 LYS 89 2HZ LYS 89 10.217 9.683 -17.405 681 H LYS 90 H LYS 90 5.853 6.864 -24.297 682 HA LYS 90 HA LYS 90 5.246 9.079 -25.857 683 HB2 LYS 90 1HB LYS 90 6.537 6.917 -26.453 684 HB3 LYS 90 2HB LYS 90 4.962 6.275 -26.902 685 HG2 LYS 90 1HG LYS 90 6.024 7.103 -28.868 686 HG3 LYS 90 2HG LYS 90 4.694 8.191 -28.463 687 HD2 LYS 90 1HD LYS 90 6.172 9.832 -27.614 688 HD3 LYS 90 2HD LYS 90 7.532 8.706 -27.603 689 HE2 LYS 90 1HE LYS 90 8.006 9.871 -29.509 690 HE3 LYS 90 2HE LYS 90 7.005 8.588 -30.185 691 HZ1 LYS 90 3HZ LYS 90 6.327 11.414 -29.718 692 HZ2 LYS 90 1HZ LYS 90 5.098 10.251 -29.757 693 HZ3 LYS 90 2HZ LYS 90 6.094 10.473 -31.105 694 H VAL 91 H VAL 91 3.216 6.320 -24.979 695 HA VAL 91 HA VAL 91 1.009 6.986 -26.604 696 HB VAL 91 HB VAL 91 1.037 5.449 -24.003 697 HG11 VAL 91 1HG1 VAL 91 -1.062 4.458 -24.838 698 HG12 VAL 91 2HG1 VAL 91 -1.201 6.193 -24.546 699 HG13 VAL 91 3HG1 VAL 91 -1.032 5.585 -26.194 700 HG21 VAL 91 3HG2 VAL 91 2.500 4.634 -25.929 701 HG22 VAL 91 1HG2 VAL 91 1.343 3.486 -25.254 702 HG23 VAL 91 2HG2 VAL 91 0.991 4.300 -26.779 703 H ILE 92 H ILE 92 1.505 7.484 -23.106 704 HA ILE 92 HA ILE 92 -0.816 8.952 -22.630 705 HB ILE 92 HB ILE 92 1.845 9.181 -21.220 706 HG12 ILE 92 1HG1 ILE 92 -0.356 7.754 -19.911 707 HG13 ILE 92 2HG1 ILE 92 0.187 6.988 -21.400 708 HG21 ILE 92 1HG2 ILE 92 0.832 10.991 -20.329 709 HG22 ILE 92 2HG2 ILE 92 -0.783 10.436 -20.767 710 HG23 ILE 92 3HG2 ILE 92 0.018 9.778 -19.341 711 HD11 ILE 92 3HD1 ILE 92 1.923 6.128 -20.344 712 HD12 ILE 92 1HD1 ILE 92 2.466 7.737 -19.868 713 HD13 ILE 92 2HD1 ILE 92 1.343 6.845 -18.841 714 H LYS 93 H LYS 93 2.394 10.021 -23.651 715 HA LYS 93 HA LYS 93 1.890 12.796 -23.479 716 HB2 LYS 93 1HB LYS 93 4.158 12.040 -23.578 717 HB3 LYS 93 2HB LYS 93 3.875 11.196 -25.094 718 HG2 LYS 93 1HG LYS 93 5.134 13.261 -25.420 719 HG3 LYS 93 2HG LYS 93 3.575 13.310 -26.245 720 HD2 LYS 93 1HD LYS 93 2.657 14.777 -24.659 721 HD3 LYS 93 2HD LYS 93 3.940 14.451 -23.490 722 HE2 LYS 93 1HE LYS 93 4.330 15.846 -26.136 723 HE3 LYS 93 2HE LYS 93 4.143 16.665 -24.586 724 HZ1 LYS 93 3HZ LYS 93 6.121 15.036 -23.980 725 HZ2 LYS 93 1HZ LYS 93 6.386 16.561 -24.665 726 HZ3 LYS 93 2HZ LYS 93 6.420 15.179 -25.639 727 H ALA 94 H ALA 94 1.507 10.446 -26.088 728 HA ALA 94 HA ALA 94 0.881 12.268 -28.139 729 HB1 ALA 94 3HB ALA 94 -0.281 10.232 -29.160 730 HB2 ALA 94 1HB ALA 94 1.448 10.107 -28.830 731 HB3 ALA 94 2HB ALA 94 0.284 9.355 -27.738 732 H THR 95 H THR 95 -1.240 10.377 -25.993 733 HA THR 95 HA THR 95 -3.672 11.365 -26.995 734 HB THR 95 HB THR 95 -3.129 10.402 -24.180 735 HG1 THR 95 HG1 THR 95 -3.981 8.913 -26.458 736 HG21 THR 95 3HG2 THR 95 -5.458 9.929 -24.048 737 HG22 THR 95 1HG2 THR 95 -5.695 10.281 -25.759 738 HG23 THR 95 2HG2 THR 95 -5.312 11.585 -24.635 739 H ALA 96 H ALA 96 -1.698 12.414 -24.232 740 HA ALA 96 HA ALA 96 -3.425 14.498 -23.415 741 HB1 ALA 96 3HB ALA 96 -1.697 15.175 -21.954 742 HB2 ALA 96 1HB ALA 96 -1.582 13.418 -22.060 743 HB3 ALA 96 2HB ALA 96 -0.453 14.432 -22.960 744 H GLU 97 H GLU 97 -0.870 14.303 -25.794 745 HA GLU 97 HA GLU 97 -0.607 17.130 -26.157 746 HB2 GLU 97 1HB GLU 97 1.271 15.776 -26.736 747 HB3 GLU 97 2HB GLU 97 0.295 14.756 -27.784 748 HG2 GLU 97 1HG GLU 97 0.340 16.231 -29.503 749 HG3 GLU 97 2HG GLU 97 0.420 17.637 -28.443 750 H LYS 98 H LYS 98 -2.512 14.577 -27.619 751 HA LYS 98 HA LYS 98 -3.387 15.893 -29.920 752 HB2 LYS 98 1HB LYS 98 -3.886 13.454 -28.702 753 HB3 LYS 98 2HB LYS 98 -5.452 14.253 -28.670 754 HG2 LYS 98 1HG LYS 98 -5.277 12.930 -30.662 755 HG3 LYS 98 2HG LYS 98 -5.267 14.640 -31.102 756 HD2 LYS 98 1HD LYS 98 -3.473 14.081 -32.336 757 HD3 LYS 98 2HD LYS 98 -2.609 14.151 -30.798 758 HE2 LYS 98 1HE LYS 98 -3.082 11.724 -30.501 759 HE3 LYS 98 2HE LYS 98 -3.772 11.705 -32.123 760 HZ1 LYS 98 3HZ LYS 98 -1.683 12.238 -33.062 761 HZ2 LYS 98 1HZ LYS 98 -1.403 10.982 -31.964 762 HZ3 LYS 98 2HZ LYS 98 -0.995 12.571 -31.553 763 H PHE 99 H PHE 99 -4.331 16.255 -26.593 764 HA PHE 99 HA PHE 99 -6.829 17.442 -26.859 765 HB2 PHE 99 1HB PHE 99 -4.662 17.544 -24.822 766 HB3 PHE 99 2HB PHE 99 -5.925 18.766 -24.723 767 HD1 PHE 99 HD1 PHE 99 -5.224 15.158 -24.599 768 HD2 PHE 99 HD2 PHE 99 -8.124 18.217 -24.007 769 HE1 PHE 99 HE1 PHE 99 -6.684 13.546 -23.448 770 HE2 PHE 99 HE2 PHE 99 -9.588 16.610 -22.854 771 HZ PHE 99 HZ PHE 99 -8.869 14.271 -22.573 772 H LYS 100 H LYS 100 -3.728 18.641 -27.708 773 HA LYS 100 HA LYS 100 -3.908 21.360 -27.473 774 HB2 LYS 100 1HB LYS 100 -2.030 19.923 -28.484 775 HB3 LYS 100 2HB LYS 100 -2.899 20.079 -30.004 776 HG2 LYS 100 1HG LYS 100 -1.618 21.887 -30.292 777 HG3 LYS 100 2HG LYS 100 -2.774 22.669 -29.211 778 HD2 LYS 100 1HD LYS 100 -0.719 23.202 -28.261 779 HD3 LYS 100 2HD LYS 100 -1.241 21.802 -27.320 780 HE2 LYS 100 1HE LYS 100 1.011 21.383 -27.825 781 HE3 LYS 100 2HE LYS 100 0.102 20.402 -28.973 782 HZ1 LYS 100 3HZ LYS 100 2.042 22.291 -29.544 783 HZ2 LYS 100 1HZ LYS 100 0.578 22.971 -30.051 784 HZ3 LYS 100 2HZ LYS 100 1.061 21.464 -30.646 785 H ASN 101 H ASN 101 -5.643 19.283 -29.673 786 HA ASN 101 HA ASN 101 -6.485 21.037 -31.621 787 HB2 ASN 101 1HB ASN 101 -8.660 19.609 -31.549 788 HB3 ASN 101 2HB ASN 101 -7.137 18.824 -31.959 789 HD21 ASN 101 1HD2 ASN 101 -7.966 16.827 -31.309 790 HD22 ASN 101 2HD2 ASN 101 -8.136 16.415 -29.639 791 H LYS 102 H LYS 102 -7.686 20.660 -28.334 792 HA LYS 102 HA LYS 102 -9.268 23.114 -28.708 793 HB2 LYS 102 1HB LYS 102 -10.066 20.777 -26.966 794 HB3 LYS 102 2HB LYS 102 -10.995 22.243 -27.249 795 HG2 LYS 102 1HG LYS 102 -10.253 20.343 -29.454 796 HG3 LYS 102 2HG LYS 102 -11.733 20.184 -28.505 797 HD2 LYS 102 1HD LYS 102 -11.105 22.819 -29.747 798 HD3 LYS 102 2HD LYS 102 -11.703 21.517 -30.779 799 HE2 LYS 102 1HE LYS 102 -13.080 22.365 -28.241 800 HE3 LYS 102 2HE LYS 102 -13.450 23.070 -29.814 801 HZ1 LYS 102 3HZ LYS 102 -13.573 20.155 -29.310 802 HZ2 LYS 102 1HZ LYS 102 -14.220 21.015 -30.615 803 HZ3 LYS 102 2HZ LYS 102 -14.903 21.173 -29.076 804 H GLY 103 H GLY 103 -6.535 22.564 -27.634 805 HA2 GLY 103 1HA GLY 103 -6.641 24.336 -25.425 806 HA3 GLY 103 2HA GLY 103 -6.426 22.688 -24.856 807 H PHE 104 H PHE 104 -5.041 25.174 -26.950 808 HA PHE 104 HA PHE 104 -2.682 23.955 -27.687 809 HB2 PHE 104 1HB PHE 104 -1.766 26.165 -28.011 810 HB3 PHE 104 2HB PHE 104 -3.468 26.195 -28.459 811 HD1 PHE 104 HD1 PHE 104 -5.131 27.115 -26.788 812 HD2 PHE 104 HD2 PHE 104 -0.923 27.622 -26.396 813 HE1 PHE 104 HE1 PHE 104 -5.505 28.996 -25.246 814 HE2 PHE 104 HE2 PHE 104 -1.290 29.503 -24.853 815 HZ PHE 104 HZ PHE 104 -3.583 30.192 -24.276 816 H LYS 105 H LYS 105 -3.594 25.275 -24.595 817 HA LYS 105 HA LYS 105 -0.939 25.269 -23.503 818 HB2 LYS 105 1HB LYS 105 -2.917 26.713 -22.750 819 HB3 LYS 105 2HB LYS 105 -3.501 25.278 -21.918 820 HG2 LYS 105 1HG LYS 105 -0.737 26.333 -21.449 821 HG3 LYS 105 2HG LYS 105 -2.133 26.981 -20.586 822 HD2 LYS 105 1HD LYS 105 -2.618 24.454 -20.094 823 HD3 LYS 105 2HD LYS 105 -0.898 24.266 -20.440 824 HE2 LYS 105 1HE LYS 105 -0.711 26.315 -18.779 825 HE3 LYS 105 2HE LYS 105 -2.251 25.682 -18.200 826 HZ1 LYS 105 3HZ LYS 105 -0.714 23.466 -18.380 827 HZ2 LYS 105 1HZ LYS 105 -0.994 24.343 -16.960 828 HZ3 LYS 105 2HZ LYS 105 0.404 24.628 -17.869 829 H VAL 106 H VAL 106 -0.153 23.175 -23.828 830 HA VAL 106 HA VAL 106 -1.353 21.142 -22.066 831 HB VAL 106 HB VAL 106 -0.060 20.646 -24.751 832 HG11 VAL 106 1HG1 VAL 106 -0.751 18.296 -24.367 833 HG12 VAL 106 2HG1 VAL 106 0.477 18.856 -23.231 834 HG13 VAL 106 3HG1 VAL 106 -1.207 18.734 -22.721 835 HG21 VAL 106 3HG2 VAL 106 -2.660 19.588 -24.644 836 HG22 VAL 106 1HG2 VAL 106 -2.764 21.224 -23.993 837 HG23 VAL 106 2HG2 VAL 106 -2.091 20.955 -25.601 838 H GLU 107 H GLU 107 -0.012 20.247 -20.627 839 HA GLU 107 HA GLU 107 2.886 20.481 -21.064 840 HB2 GLU 107 1HB GLU 107 1.835 22.200 -19.426 841 HB3 GLU 107 2HB GLU 107 1.695 20.832 -18.330 842 HG2 GLU 107 1HG GLU 107 4.317 21.448 -19.613 843 HG3 GLU 107 2HG GLU 107 3.772 22.377 -18.218 844 H THR 108 H THR 108 4.075 18.731 -20.503 845 HA THR 108 HA THR 108 2.748 16.564 -19.025 846 HB THR 108 HB THR 108 3.567 14.885 -20.548 847 HG1 THR 108 HG1 THR 108 4.904 17.082 -21.707 848 HG21 THR 108 3HG2 THR 108 1.903 15.141 -22.048 849 HG22 THR 108 1HG2 THR 108 2.496 16.711 -22.588 850 HG23 THR 108 2HG2 THR 108 1.525 16.592 -21.120 851 H ASP 109 H ASP 109 4.001 15.548 -17.560 852 HA ASP 109 HA ASP 109 6.846 16.310 -17.467 853 HB2 ASP 109 1HB ASP 109 4.767 16.034 -15.363 854 HB3 ASP 109 2HB ASP 109 6.396 15.507 -14.946 855 H MET 110 H MET 110 8.206 14.727 -17.940 856 HA MET 110 HA MET 110 7.377 11.951 -17.399 857 HB2 MET 110 1HB MET 110 8.994 11.331 -19.211 858 HB3 MET 110 2HB MET 110 7.608 12.263 -19.761 859 HG2 MET 110 1HG MET 110 9.050 14.304 -19.652 860 HG3 MET 110 2HG MET 110 10.419 13.239 -19.339 861 HE1 MET 110 3HE MET 110 11.314 11.510 -22.303 862 HE2 MET 110 1HE MET 110 10.867 11.253 -20.616 863 HE3 MET 110 2HE MET 110 9.796 10.703 -21.906 Start of MODEL 5 1 H MET 1 H MET 1 2.030 -1.747 -1.368 2 HA MET 1 HA MET 1 1.029 0.550 0.135 3 HB2 MET 1 1HB MET 1 3.600 0.631 -0.469 4 HB3 MET 1 2HB MET 1 2.990 1.095 -2.052 5 HG2 MET 1 1HG MET 1 3.460 3.085 -0.863 6 HG3 MET 1 2HG MET 1 1.708 2.919 -0.933 7 HE1 MET 1 3HE MET 1 4.359 3.167 2.713 8 HE2 MET 1 1HE MET 1 4.780 1.902 1.557 9 HE3 MET 1 2HE MET 1 4.702 3.585 1.033 10 H THR 2 H THR 2 -0.506 1.725 -0.928 11 HA THR 2 HA THR 2 -1.418 0.621 -3.482 12 HB THR 2 HB THR 2 -2.885 2.554 -1.682 13 HG1 THR 2 HG1 THR 2 -3.437 0.885 -0.505 14 HG21 THR 2 3HG2 THR 2 -4.708 1.020 -3.073 15 HG22 THR 2 1HG2 THR 2 -3.440 1.316 -4.262 16 HG23 THR 2 2HG2 THR 2 -4.236 2.673 -3.465 17 H LEU 3 H LEU 3 -0.901 1.641 -5.293 18 HA LEU 3 HA LEU 3 -0.115 4.456 -5.186 19 HB2 LEU 3 1HB LEU 3 0.314 2.232 -7.138 20 HB3 LEU 3 2HB LEU 3 0.493 3.907 -7.654 21 HG LEU 3 HG LEU 3 2.652 2.955 -7.124 22 HD11 LEU 3 1HD1 LEU 3 1.559 5.292 -5.942 23 HD12 LEU 3 2HD1 LEU 3 3.225 4.978 -6.428 24 HD13 LEU 3 3HD1 LEU 3 2.691 4.573 -4.797 25 HD21 LEU 3 3HD2 LEU 3 1.461 1.410 -5.324 26 HD22 LEU 3 1HD2 LEU 3 2.005 2.691 -4.241 27 HD23 LEU 3 2HD2 LEU 3 3.176 1.814 -5.226 28 H CYS 4 H CYS 4 -1.759 5.830 -5.413 29 HA CYS 4 HA CYS 4 -3.825 5.221 -7.420 30 HB2 CYS 4 1HB CYS 4 -5.358 6.568 -6.165 31 HB3 CYS 4 2HB CYS 4 -4.578 5.467 -5.035 32 HG CYS 4 HG CYS 4 -5.054 8.287 -4.191 33 H ALA 5 H ALA 5 -4.781 7.161 -8.491 34 HA ALA 5 HA ALA 5 -2.773 9.276 -8.904 35 HB1 ALA 5 3HB ALA 5 -4.300 8.811 -11.292 36 HB2 ALA 5 1HB ALA 5 -2.552 8.780 -11.056 37 HB3 ALA 5 2HB ALA 5 -3.507 7.324 -10.771 38 H MET 6 H MET 6 -3.539 11.338 -9.172 39 HA MET 6 HA MET 6 -6.391 11.710 -8.604 40 HB2 MET 6 1HB MET 6 -3.950 13.393 -8.164 41 HB3 MET 6 2HB MET 6 -5.537 14.147 -8.219 42 HG2 MET 6 1HG MET 6 -5.157 11.799 -6.444 43 HG3 MET 6 2HG MET 6 -4.460 13.342 -5.959 44 HE1 MET 6 3HE MET 6 -8.456 11.896 -5.063 45 HE2 MET 6 1HE MET 6 -6.987 11.060 -5.567 46 HE3 MET 6 2HE MET 6 -7.010 11.967 -4.055 47 H TYR 7 H TYR 7 -7.678 12.166 -10.254 48 HA TYR 7 HA TYR 7 -6.547 13.591 -12.571 49 HB2 TYR 7 1HB TYR 7 -7.551 11.150 -12.722 50 HB3 TYR 7 2HB TYR 7 -9.080 12.019 -12.781 51 HD1 TYR 7 HD1 TYR 7 -8.720 14.267 -14.431 52 HD2 TYR 7 HD2 TYR 7 -6.885 10.447 -14.809 53 HE1 TYR 7 HE1 TYR 7 -8.407 14.662 -16.839 54 HE2 TYR 7 HE2 TYR 7 -6.566 10.832 -17.217 55 HH TYR 7 HH TYR 7 -7.549 12.202 -19.008 56 H ASN 8 H ASN 8 -7.059 15.680 -12.372 57 HA ASN 8 HA ASN 8 -9.669 16.444 -11.306 58 HB2 ASN 8 1HB ASN 8 -7.976 17.731 -10.315 59 HB3 ASN 8 2HB ASN 8 -7.112 17.934 -11.837 60 HD21 ASN 8 1HD2 ASN 8 -9.599 19.113 -9.785 61 HD22 ASN 8 2HD2 ASN 8 -10.004 20.513 -10.713 62 H ILE 9 H ILE 9 -11.217 16.300 -12.822 63 HA ILE 9 HA ILE 9 -10.681 17.485 -15.464 64 HB ILE 9 HB ILE 9 -11.301 15.123 -15.573 65 HG12 ILE 9 1HG1 ILE 9 -13.541 16.912 -16.541 66 HG13 ILE 9 2HG1 ILE 9 -12.006 16.683 -17.370 67 HG21 ILE 9 1HG2 ILE 9 -13.934 15.918 -14.345 68 HG22 ILE 9 2HG2 ILE 9 -13.415 14.299 -14.812 69 HG23 ILE 9 3HG2 ILE 9 -12.630 15.122 -13.465 70 HD11 ILE 9 3HD1 ILE 9 -13.298 14.163 -16.803 71 HD12 ILE 9 1HD1 ILE 9 -14.329 15.237 -17.748 72 HD13 ILE 9 2HD1 ILE 9 -12.718 14.819 -18.333 73 H SER 10 H SER 10 -11.723 19.283 -16.021 74 HA SER 10 HA SER 10 -14.220 19.971 -14.635 75 HB2 SER 10 1HB SER 10 -12.340 22.190 -15.279 76 HB3 SER 10 2HB SER 10 -13.501 22.045 -13.960 77 HG SER 10 HG SER 10 -11.245 20.368 -14.048 78 H MET 11 H MET 11 -15.505 19.544 -16.388 79 HA MET 11 HA MET 11 -15.016 20.087 -19.049 80 HB2 MET 11 1HB MET 11 -17.027 18.903 -17.828 81 HB3 MET 11 2HB MET 11 -17.776 20.488 -17.971 82 HG2 MET 11 1HG MET 11 -17.594 20.431 -20.354 83 HG3 MET 11 2HG MET 11 -16.641 18.950 -20.291 84 HE1 MET 11 3HE MET 11 -20.680 19.878 -18.987 85 HE2 MET 11 1HE MET 11 -19.716 20.768 -20.165 86 HE3 MET 11 2HE MET 11 -20.920 19.602 -20.713 87 H ALA 12 H ALA 12 -15.989 21.751 -20.447 88 HA ALA 12 HA ALA 12 -15.146 24.307 -19.840 89 HB1 ALA 12 3HB ALA 12 -17.200 23.328 -21.803 90 HB2 ALA 12 1HB ALA 12 -16.724 25.023 -21.698 91 HB3 ALA 12 2HB ALA 12 -15.526 23.793 -22.104 92 H GLY 13 H GLY 13 -15.826 25.725 -18.381 93 HA2 GLY 13 1HA GLY 13 -17.201 26.949 -17.009 94 HA3 GLY 13 2HA GLY 13 -18.494 26.585 -18.142 95 H SER 14 H SER 14 -16.553 24.616 -15.890 96 HA SER 14 HA SER 14 -18.903 24.013 -14.312 97 HB2 SER 14 1HB SER 14 -19.016 21.698 -14.726 98 HB3 SER 14 2HB SER 14 -18.830 22.406 -16.330 99 HG SER 14 HG SER 14 -17.030 20.903 -14.822 100 H HIS 15 H HIS 15 -18.415 23.372 -12.254 101 HA HIS 15 HA HIS 15 -15.977 24.026 -11.140 102 HB2 HIS 15 1HB HIS 15 -16.738 22.521 -9.207 103 HB3 HIS 15 2HB HIS 15 -17.802 23.850 -9.661 104 HD1 HIS 15 HD1 HIS 15 -17.552 20.388 -11.211 105 HD2 HIS 15 HD2 HIS 15 -20.273 22.820 -9.226 106 HE1 HIS 15 HE1 HIS 15 -19.729 19.129 -11.245 107 HA PRO 16 HA PRO 16 -13.179 20.733 -11.899 108 HB2 PRO 16 1HB PRO 16 -11.790 20.641 -9.568 109 HB3 PRO 16 2HB PRO 16 -11.608 21.948 -10.744 110 HG2 PRO 16 1HG PRO 16 -13.217 21.880 -8.221 111 HG3 PRO 16 2HG PRO 16 -12.190 23.177 -8.858 112 HD2 PRO 16 1HD PRO 16 -14.886 23.200 -9.106 113 HD3 PRO 16 2HD PRO 16 -13.809 23.911 -10.325 114 H THR 17 H THR 17 -13.129 18.555 -11.771 115 HA THR 17 HA THR 17 -14.634 17.286 -9.576 116 HB THR 17 HB THR 17 -14.339 16.353 -12.438 117 HG1 THR 17 HG1 THR 17 -16.460 16.917 -12.623 118 HG21 THR 17 3HG2 THR 17 -14.551 14.316 -11.479 119 HG22 THR 17 1HG2 THR 17 -16.250 14.771 -11.362 120 HG23 THR 17 2HG2 THR 17 -15.185 14.975 -9.971 121 H THR 18 H THR 18 -13.351 16.248 -8.211 122 HA THR 18 HA THR 18 -10.700 15.397 -9.007 123 HB THR 18 HB THR 18 -11.955 14.860 -6.325 124 HG1 THR 18 HG1 THR 18 -11.154 17.291 -7.452 125 HG21 THR 18 3HG2 THR 18 -9.289 14.715 -7.503 126 HG22 THR 18 1HG2 THR 18 -9.920 13.961 -6.040 127 HG23 THR 18 2HG2 THR 18 -9.331 15.623 -5.992 128 H ILE 19 H ILE 19 -10.584 13.563 -10.148 129 HA ILE 19 HA ILE 19 -12.225 11.274 -9.288 130 HB ILE 19 HB ILE 19 -10.832 11.547 -11.947 131 HG12 ILE 19 1HG1 ILE 19 -13.691 12.245 -11.240 132 HG13 ILE 19 2HG1 ILE 19 -12.434 13.387 -11.701 133 HG21 ILE 19 1HG2 ILE 19 -13.229 9.867 -11.298 134 HG22 ILE 19 2HG2 ILE 19 -12.087 9.703 -12.631 135 HG23 ILE 19 3HG2 ILE 19 -11.591 9.291 -10.990 136 HD11 ILE 19 3HD1 ILE 19 -13.501 11.195 -13.463 137 HD12 ILE 19 1HD1 ILE 19 -13.997 12.886 -13.526 138 HD13 ILE 19 2HD1 ILE 19 -12.336 12.439 -13.914 139 H CYS 20 H CYS 20 -11.025 10.168 -7.847 140 HA CYS 20 HA CYS 20 -8.176 9.824 -8.214 141 HB2 CYS 20 1HB CYS 20 -9.166 10.162 -5.962 142 HB3 CYS 20 2HB CYS 20 -10.007 8.626 -6.125 143 HG CYS 20 HG CYS 20 -8.068 7.099 -5.377 144 H VAL 21 H VAL 21 -7.579 8.443 -9.765 145 HA VAL 21 HA VAL 21 -8.924 5.821 -9.876 146 HB VAL 21 HB VAL 21 -7.420 7.145 -12.133 147 HG11 VAL 21 1HG1 VAL 21 -8.775 5.422 -13.447 148 HG12 VAL 21 2HG1 VAL 21 -7.415 4.829 -12.492 149 HG13 VAL 21 3HG1 VAL 21 -9.063 4.644 -11.890 150 HG21 VAL 21 3HG2 VAL 21 -9.425 8.438 -11.543 151 HG22 VAL 21 1HG2 VAL 21 -9.583 7.657 -13.117 152 HG23 VAL 21 2HG2 VAL 21 -10.404 6.980 -11.710 153 H VAL 22 H VAL 22 -7.731 4.043 -9.555 154 HA VAL 22 HA VAL 22 -5.214 4.089 -8.425 155 HB VAL 22 HB VAL 22 -6.824 2.149 -8.436 156 HG11 VAL 22 1HG1 VAL 22 -5.613 0.865 -10.731 157 HG12 VAL 22 2HG1 VAL 22 -7.315 1.026 -10.296 158 HG13 VAL 22 3HG1 VAL 22 -6.506 2.316 -11.186 159 HG21 VAL 22 3HG2 VAL 22 -5.163 0.789 -7.748 160 HG22 VAL 22 1HG2 VAL 22 -4.256 0.964 -9.250 161 HG23 VAL 22 2HG2 VAL 22 -4.155 2.212 -8.007 162 H MET 23 H MET 23 -3.147 3.355 -9.218 163 HA MET 23 HA MET 23 -2.380 4.631 -11.623 164 HB2 MET 23 1HB MET 23 -0.867 4.335 -9.696 165 HB3 MET 23 2HB MET 23 -0.856 2.600 -9.981 166 HG2 MET 23 1HG MET 23 0.074 3.091 -12.263 167 HG3 MET 23 2HG MET 23 0.270 4.761 -11.736 168 HE1 MET 23 3HE MET 23 2.133 2.307 -12.789 169 HE2 MET 23 1HE MET 23 3.466 1.946 -11.692 170 HE3 MET 23 2HE MET 23 1.931 1.095 -11.524 171 H ASP 24 H ASP 24 -3.122 1.299 -10.794 172 HA ASP 24 HA ASP 24 -2.133 0.045 -13.094 173 HB2 ASP 24 1HB ASP 24 -4.291 -0.640 -11.123 174 HB3 ASP 24 2HB ASP 24 -4.043 -1.644 -12.549 175 H ARG 25 H ARG 25 -4.953 1.984 -12.586 176 HA ARG 25 HA ARG 25 -5.809 1.421 -15.349 177 HB2 ARG 25 1HB ARG 25 -7.333 1.512 -12.847 178 HB3 ARG 25 2HB ARG 25 -8.030 2.490 -14.131 179 HG2 ARG 25 1HG ARG 25 -7.982 0.507 -15.610 180 HG3 ARG 25 2HG ARG 25 -7.403 -0.451 -14.246 181 HD2 ARG 25 1HD ARG 25 -9.549 0.663 -13.105 182 HD3 ARG 25 2HD ARG 25 -10.089 0.673 -14.784 183 HE ARG 25 HE ARG 25 -9.171 -1.859 -14.400 184 HH11 ARG 25 1HH1 ARG 25 -11.492 0.167 -12.779 185 HH12 ARG 25 2HH1 ARG 25 -12.483 -1.157 -12.263 186 HH21 ARG 25 1HH2 ARG 25 -10.467 -3.611 -13.727 187 HH22 ARG 25 2HH2 ARG 25 -11.899 -3.306 -12.802 188 H PHE 26 H PHE 26 -4.054 3.523 -13.883 189 HA PHE 26 HA PHE 26 -5.344 6.020 -14.153 190 HB2 PHE 26 1HB PHE 26 -3.394 5.901 -12.780 191 HB3 PHE 26 2HB PHE 26 -2.428 5.243 -14.096 192 HD1 PHE 26 HD2 PHE 26 -4.745 8.151 -14.069 193 HD2 PHE 26 HD1 PHE 26 -0.733 6.779 -14.442 194 HE1 PHE 26 HE2 PHE 26 -4.026 10.425 -14.673 195 HE2 PHE 26 HE1 PHE 26 -0.008 9.051 -15.046 196 HZ PHE 26 HZ PHE 26 -1.656 10.878 -15.163 197 H LEU 27 H LEU 27 -2.912 4.463 -16.249 198 HA LEU 27 HA LEU 27 -2.953 6.331 -18.306 199 HB2 LEU 27 1HB LEU 27 -1.536 4.120 -17.839 200 HB3 LEU 27 2HB LEU 27 -2.659 3.472 -19.033 201 HG LEU 27 HG LEU 27 -0.729 5.757 -19.422 202 HD11 LEU 27 1HD1 LEU 27 -0.634 2.887 -19.917 203 HD12 LEU 27 2HD1 LEU 27 0.668 4.074 -19.864 204 HD13 LEU 27 3HD1 LEU 27 -0.268 3.858 -21.343 205 HD21 LEU 27 3HD2 LEU 27 -3.101 4.884 -20.944 206 HD22 LEU 27 1HD2 LEU 27 -1.644 5.201 -21.886 207 HD23 LEU 27 2HD2 LEU 27 -2.321 6.464 -20.859 208 H GLU 28 H GLU 28 -4.906 3.392 -17.906 209 HA GLU 28 HA GLU 28 -6.302 3.532 -20.322 210 HB2 GLU 28 1HB GLU 28 -6.237 1.667 -18.511 211 HB3 GLU 28 2HB GLU 28 -7.591 2.536 -17.801 212 HG2 GLU 28 1HG GLU 28 -9.002 2.043 -19.544 213 HG3 GLU 28 2HG GLU 28 -7.682 1.806 -20.687 214 H SER 29 H SER 29 -7.136 4.846 -17.128 215 HA SER 29 HA SER 29 -9.622 5.918 -17.753 216 HB2 SER 29 1HB SER 29 -8.468 5.763 -15.467 217 HB3 SER 29 2HB SER 29 -7.673 7.278 -15.895 218 HG SER 29 HG SER 29 -10.474 7.005 -16.064 219 H PHE 30 H PHE 30 -6.428 7.475 -17.930 220 HA PHE 30 HA PHE 30 -7.306 9.961 -18.871 221 HB2 PHE 30 1HB PHE 30 -5.026 9.497 -17.990 222 HB3 PHE 30 2HB PHE 30 -4.666 8.611 -19.468 223 HD1 PHE 30 HD1 PHE 30 -4.720 9.854 -21.661 224 HD2 PHE 30 HD2 PHE 30 -4.788 11.820 -17.886 225 HE1 PHE 30 HE1 PHE 30 -3.998 11.944 -22.740 226 HE2 PHE 30 HE2 PHE 30 -4.067 13.913 -18.960 227 HZ PHE 30 HZ PHE 30 -3.672 13.978 -21.390 228 H SER 31 H SER 31 -6.345 7.034 -20.609 229 HA SER 31 HA SER 31 -6.383 8.040 -23.205 230 HB2 SER 31 1HB SER 31 -7.122 5.266 -22.241 231 HB3 SER 31 2HB SER 31 -6.770 5.696 -23.915 232 HG SER 31 HG SER 31 -5.062 5.091 -21.945 233 H GLU 32 H GLU 32 -9.012 6.487 -21.375 234 HA GLU 32 HA GLU 32 -10.966 6.792 -23.394 235 HB2 GLU 32 1HB GLU 32 -11.321 6.499 -20.406 236 HB3 GLU 32 2HB GLU 32 -12.594 6.307 -21.603 237 HG2 GLU 32 1HG GLU 32 -10.226 4.549 -21.088 238 HG3 GLU 32 2HG GLU 32 -11.939 4.134 -21.070 239 H LEU 33 H LEU 33 -9.886 8.853 -20.773 240 HA LEU 33 HA LEU 33 -12.007 10.693 -20.776 241 HB2 LEU 33 1HB LEU 33 -9.998 10.398 -19.155 242 HB3 LEU 33 2HB LEU 33 -9.181 11.516 -20.244 243 HG LEU 33 HG LEU 33 -10.116 12.636 -18.267 244 HD11 LEU 33 1HD1 LEU 33 -10.137 13.509 -20.814 245 HD12 LEU 33 2HD1 LEU 33 -10.628 14.492 -19.435 246 HD13 LEU 33 3HD1 LEU 33 -11.846 13.674 -20.412 247 HD21 LEU 33 3HD2 LEU 33 -12.869 12.674 -18.977 248 HD22 LEU 33 1HD2 LEU 33 -12.121 12.110 -17.482 249 HD23 LEU 33 2HD2 LEU 33 -12.356 10.993 -18.827 250 H TYR 34 H TYR 34 -8.976 10.617 -22.607 251 HA TYR 34 HA TYR 34 -9.190 13.099 -23.860 252 HB2 TYR 34 1HB TYR 34 -7.117 12.003 -24.060 253 HB3 TYR 34 2HB TYR 34 -7.857 10.521 -24.655 254 HD1 TYR 34 HD1 TYR 34 -7.836 14.126 -25.673 255 HD2 TYR 34 HD2 TYR 34 -7.396 10.064 -26.860 256 HE1 TYR 34 HE1 TYR 34 -7.417 14.853 -27.984 257 HE2 TYR 34 HE2 TYR 34 -6.975 10.780 -29.175 258 HH TYR 34 HH TYR 34 -7.756 13.575 -30.405 259 H ASP 35 H ASP 35 -10.954 10.193 -24.357 260 HA ASP 35 HA ASP 35 -11.877 10.963 -27.005 261 HB2 ASP 35 1HB ASP 35 -11.791 8.523 -25.458 262 HB3 ASP 35 2HB ASP 35 -13.415 8.803 -26.079 263 H ILE 36 H ILE 36 -13.496 10.105 -23.940 264 HA ILE 36 HA ILE 36 -16.021 11.033 -24.571 265 HB ILE 36 HB ILE 36 -15.505 9.717 -22.549 266 HG12 ILE 36 1HG1 ILE 36 -16.865 12.346 -21.918 267 HG13 ILE 36 2HG1 ILE 36 -17.625 11.000 -22.761 268 HG21 ILE 36 1HG2 ILE 36 -14.397 10.558 -20.692 269 HG22 ILE 36 2HG2 ILE 36 -13.465 11.218 -22.035 270 HG23 ILE 36 3HG2 ILE 36 -14.630 12.235 -21.188 271 HD11 ILE 36 3HD1 ILE 36 -16.588 9.919 -20.406 272 HD12 ILE 36 1HD1 ILE 36 -17.323 11.455 -19.949 273 HD13 ILE 36 2HD1 ILE 36 -18.278 10.237 -20.794 274 H ILE 37 H ILE 37 -13.207 12.816 -23.488 275 HA ILE 37 HA ILE 37 -14.411 15.219 -22.741 276 HB ILE 37 HB ILE 37 -11.986 14.609 -22.442 277 HG12 ILE 37 1HG1 ILE 37 -11.288 17.086 -23.234 278 HG13 ILE 37 2HG1 ILE 37 -13.039 17.239 -23.330 279 HG21 ILE 37 1HG2 ILE 37 -11.931 14.149 -25.072 280 HG22 ILE 37 2HG2 ILE 37 -11.353 15.814 -25.068 281 HG23 ILE 37 3HG2 ILE 37 -10.493 14.580 -24.147 282 HD11 ILE 37 3HD1 ILE 37 -11.901 17.916 -21.158 283 HD12 ILE 37 1HD1 ILE 37 -13.309 16.860 -21.046 284 HD13 ILE 37 2HD1 ILE 37 -11.687 16.188 -20.874 285 H ASP 38 H ASP 38 -13.775 13.879 -25.890 286 HA ASP 38 HA ASP 38 -13.889 16.172 -27.469 287 HB2 ASP 38 1HB ASP 38 -13.309 13.833 -28.224 288 HB3 ASP 38 2HB ASP 38 -15.036 13.483 -28.232 289 H GLU 39 H GLU 39 -16.417 14.398 -25.860 290 HA GLU 39 HA GLU 39 -18.457 16.053 -27.174 291 HB2 GLU 39 1HB GLU 39 -18.834 13.596 -25.454 292 HB3 GLU 39 2HB GLU 39 -20.088 14.446 -26.346 293 HG2 GLU 39 1HG GLU 39 -18.902 13.882 -28.449 294 HG3 GLU 39 2HG GLU 39 -17.770 12.918 -27.502 295 H ASN 40 H ASN 40 -20.011 17.172 -25.939 296 HA ASN 40 HA ASN 40 -19.072 17.868 -23.244 297 HB2 ASN 40 1HB ASN 40 -20.549 19.905 -23.574 298 HB3 ASN 40 2HB ASN 40 -19.144 19.802 -24.630 299 HD21 ASN 40 1HD2 ASN 40 -19.477 19.056 -26.808 300 HD22 ASN 40 2HD2 ASN 40 -20.995 19.336 -27.584 301 H ASP 41 H ASP 41 -20.360 15.528 -23.230 302 HA ASP 41 HA ASP 41 -23.151 16.073 -22.510 303 HB2 ASP 41 1HB ASP 41 -21.666 13.512 -23.102 304 HB3 ASP 41 2HB ASP 41 -23.298 13.536 -22.439 305 H THR 42 H THR 42 -23.558 16.476 -20.450 306 HA THR 42 HA THR 42 -21.684 15.696 -18.383 307 HB THR 42 HB THR 42 -24.326 16.998 -17.817 308 HG1 THR 42 HG1 THR 42 -22.911 19.007 -18.151 309 HG21 THR 42 3HG2 THR 42 -22.585 18.276 -16.283 310 HG22 THR 42 1HG2 THR 42 -21.644 16.808 -16.541 311 HG23 THR 42 2HG2 THR 42 -23.249 16.711 -15.816 312 H ASP 43 H ASP 43 -24.740 14.648 -19.639 313 HA ASP 43 HA ASP 43 -25.738 13.244 -17.429 314 HB2 ASP 43 1HB ASP 43 -26.102 12.959 -20.397 315 HB3 ASP 43 2HB ASP 43 -26.833 11.799 -19.292 316 H VAL 44 H VAL 44 -23.358 12.373 -19.859 317 HA VAL 44 HA VAL 44 -23.155 9.650 -18.865 318 HB VAL 44 HB VAL 44 -22.952 10.043 -21.276 319 HG11 VAL 44 1HG1 VAL 44 -21.749 11.703 -22.127 320 HG12 VAL 44 2HG1 VAL 44 -21.345 12.203 -20.483 321 HG13 VAL 44 3HG1 VAL 44 -20.285 11.094 -21.354 322 HG21 VAL 44 3HG2 VAL 44 -21.510 8.324 -19.805 323 HG22 VAL 44 1HG2 VAL 44 -21.424 8.398 -21.565 324 HG23 VAL 44 2HG2 VAL 44 -20.201 9.210 -20.587 325 H MET 45 H MET 45 -21.595 12.707 -18.462 326 HA MET 45 HA MET 45 -19.038 11.999 -17.684 327 HB2 MET 45 1HB MET 45 -19.599 14.309 -17.930 328 HB3 MET 45 2HB MET 45 -20.843 14.203 -16.691 329 HG2 MET 45 1HG MET 45 -19.340 14.268 -14.975 330 HG3 MET 45 2HG MET 45 -18.044 13.561 -15.937 331 HE1 MET 45 3HE MET 45 -16.029 15.722 -15.267 332 HE2 MET 45 1HE MET 45 -16.268 14.548 -16.562 333 HE3 MET 45 2HE MET 45 -15.939 16.236 -16.952 334 H MET 46 H MET 46 -21.919 12.318 -15.610 335 HA MET 46 HA MET 46 -20.790 11.633 -13.187 336 HB2 MET 46 1HB MET 46 -23.081 10.797 -12.574 337 HB3 MET 46 2HB MET 46 -23.042 12.421 -13.247 338 HG2 MET 46 1HG MET 46 -23.644 11.420 -15.460 339 HG3 MET 46 2HG MET 46 -23.889 9.889 -14.623 340 HE1 MET 46 3HE MET 46 -25.516 9.353 -13.003 341 HE2 MET 46 1HE MET 46 -27.105 10.104 -12.861 342 HE3 MET 46 2HE MET 46 -26.624 9.339 -14.376 343 H ASP 47 H ASP 47 -22.166 9.469 -15.645 344 HA ASP 47 HA ASP 47 -21.811 7.062 -14.269 345 HB2 ASP 47 1HB ASP 47 -23.030 7.600 -16.527 346 HB3 ASP 47 2HB ASP 47 -21.473 7.194 -17.243 347 H PHE 48 H PHE 48 -19.598 8.926 -16.273 348 HA PHE 48 HA PHE 48 -17.557 6.971 -16.429 349 HB2 PHE 48 1HB PHE 48 -17.520 8.758 -18.011 350 HB3 PHE 48 2HB PHE 48 -17.521 9.973 -16.737 351 HD1 PHE 48 HD2 PHE 48 -15.490 7.320 -18.321 352 HD2 PHE 48 HD1 PHE 48 -15.515 10.750 -15.801 353 HE1 PHE 48 HE2 PHE 48 -13.032 7.381 -18.386 354 HE2 PHE 48 HE1 PHE 48 -13.056 10.817 -15.863 355 HZ PHE 48 HZ PHE 48 -11.811 9.131 -17.155 356 H ILE 49 H ILE 49 -17.881 9.858 -14.365 357 HA ILE 49 HA ILE 49 -15.585 9.514 -12.844 358 HB ILE 49 HB ILE 49 -18.228 10.660 -11.936 359 HG12 ILE 49 1HG1 ILE 49 -15.828 12.225 -12.846 360 HG13 ILE 49 2HG1 ILE 49 -17.001 11.621 -14.012 361 HG21 ILE 49 1HG2 ILE 49 -16.627 11.985 -10.411 362 HG22 ILE 49 2HG2 ILE 49 -17.033 10.327 -9.972 363 HG23 ILE 49 3HG2 ILE 49 -15.485 10.682 -10.737 364 HD11 ILE 49 3HD1 ILE 49 -17.832 13.280 -11.662 365 HD12 ILE 49 1HD1 ILE 49 -17.279 14.006 -13.170 366 HD13 ILE 49 2HD1 ILE 49 -18.705 12.968 -13.162 367 H SER 50 H SER 50 -18.843 8.222 -12.305 368 HA SER 50 HA SER 50 -18.158 6.910 -9.863 369 HB2 SER 50 1HB SER 50 -20.526 6.863 -11.703 370 HB3 SER 50 2HB SER 50 -20.380 5.645 -10.436 371 HG SER 50 HG SER 50 -21.517 7.401 -9.632 372 H ARG 51 H ARG 51 -18.088 6.051 -13.239 373 HA ARG 51 HA ARG 51 -17.946 3.248 -12.956 374 HB2 ARG 51 1HB ARG 51 -18.452 4.167 -15.105 375 HB3 ARG 51 2HB ARG 51 -16.966 5.108 -15.119 376 HG2 ARG 51 1HG ARG 51 -15.636 3.174 -15.427 377 HG3 ARG 51 2HG ARG 51 -16.999 2.104 -15.090 378 HD2 ARG 51 1HD ARG 51 -17.937 2.422 -17.153 379 HD3 ARG 51 2HD ARG 51 -17.248 4.035 -17.336 380 HE ARG 51 HE ARG 51 -15.374 3.099 -18.278 381 HH11 ARG 51 1HH1 ARG 51 -17.304 0.608 -16.797 382 HH12 ARG 51 2HH1 ARG 51 -16.382 -0.692 -17.478 383 HH21 ARG 51 1HH2 ARG 51 -14.153 1.396 -19.180 384 HH22 ARG 51 2HH2 ARG 51 -14.590 -0.242 -18.832 385 H PHE 52 H PHE 52 -15.408 5.720 -13.251 386 HA PHE 52 HA PHE 52 -13.328 3.754 -12.808 387 HB2 PHE 52 1HB PHE 52 -13.387 6.682 -13.429 388 HB3 PHE 52 2HB PHE 52 -11.918 5.972 -12.768 389 HD1 PHE 52 HD2 PHE 52 -14.230 5.983 -15.621 390 HD2 PHE 52 HD1 PHE 52 -10.539 4.531 -14.077 391 HE1 PHE 52 HE2 PHE 52 -13.589 5.229 -17.873 392 HE2 PHE 52 HE1 PHE 52 -9.891 3.775 -16.327 393 HZ PHE 52 HZ PHE 52 -11.418 4.122 -18.228 394 H ALA 53 H ALA 53 -14.336 6.760 -11.172 395 HA ALA 53 HA ALA 53 -12.818 6.186 -8.823 396 HB1 ALA 53 3HB ALA 53 -13.230 8.316 -8.323 397 HB2 ALA 53 1HB ALA 53 -14.050 8.428 -9.881 398 HB3 ALA 53 2HB ALA 53 -14.975 8.079 -8.419 399 H ARG 54 H ARG 54 -13.331 4.572 -7.497 400 HA ARG 54 HA ARG 54 -15.969 3.499 -7.293 401 HB2 ARG 54 1HB ARG 54 -13.928 2.128 -7.009 402 HB3 ARG 54 2HB ARG 54 -13.560 3.009 -5.532 403 HG2 ARG 54 1HG ARG 54 -15.897 2.217 -4.759 404 HG3 ARG 54 2HG ARG 54 -15.737 1.032 -6.057 405 HD2 ARG 54 1HD ARG 54 -13.530 1.404 -4.073 406 HD3 ARG 54 2HD ARG 54 -14.940 0.431 -3.657 407 HE ARG 54 HE ARG 54 -12.793 -0.333 -5.343 408 HH11 ARG 54 1HH1 ARG 54 -16.238 -0.640 -4.955 409 HH12 ARG 54 2HH1 ARG 54 -16.327 -2.162 -5.778 410 HH21 ARG 54 1HH2 ARG 54 -12.896 -2.336 -6.429 411 HH22 ARG 54 2HH2 ARG 54 -14.425 -3.126 -6.616 412 H THR 55 H THR 55 -17.557 3.987 -5.915 413 HA THR 55 HA THR 55 -17.297 6.267 -4.200 414 HB THR 55 HB THR 55 -19.664 5.821 -3.603 415 HG1 THR 55 HG1 THR 55 -20.649 4.085 -4.950 416 HG21 THR 55 3HG2 THR 55 -19.855 7.149 -5.404 417 HG22 THR 55 1HG2 THR 55 -20.311 5.679 -6.263 418 HG23 THR 55 2HG2 THR 55 -18.642 6.248 -6.312 419 H ASP 56 H ASP 56 -15.510 5.155 -2.946 420 HA ASP 56 HA ASP 56 -16.706 3.870 -0.594 421 HB2 ASP 56 1HB ASP 56 -14.496 2.832 -2.305 422 HB3 ASP 56 2HB ASP 56 -14.374 2.589 -0.565 423 H GLU 57 H GLU 57 -15.383 4.054 1.350 424 HA GLU 57 HA GLU 57 -14.483 6.648 1.809 425 HB2 GLU 57 1HB GLU 57 -13.629 5.813 3.941 426 HB3 GLU 57 2HB GLU 57 -15.219 5.145 3.599 427 HG2 GLU 57 1HG GLU 57 -12.829 3.579 2.791 428 HG3 GLU 57 2HG GLU 57 -13.256 3.647 4.499 429 H ILE 58 H ILE 58 -12.443 7.566 2.041 430 HA ILE 58 HA ILE 58 -10.303 6.144 0.612 431 HB ILE 58 HB ILE 58 -10.527 9.110 1.130 432 HG12 ILE 58 1HG1 ILE 58 -12.325 8.293 -0.353 433 HG13 ILE 58 2HG1 ILE 58 -11.180 9.318 -1.213 434 HG21 ILE 58 1HG2 ILE 58 -8.617 7.424 -0.462 435 HG22 ILE 58 2HG2 ILE 58 -8.816 9.152 -0.750 436 HG23 ILE 58 3HG2 ILE 58 -8.257 8.579 0.822 437 HD11 ILE 58 3HD1 ILE 58 -12.028 6.719 -1.866 438 HD12 ILE 58 1HD1 ILE 58 -10.831 7.717 -2.690 439 HD13 ILE 58 2HD1 ILE 58 -10.327 6.609 -1.414 440 H MET 59 H MET 59 -8.248 5.991 1.464 441 HA MET 59 HA MET 59 -7.898 6.931 4.232 442 HB2 MET 59 1HB MET 59 -7.524 4.202 3.091 443 HB3 MET 59 2HB MET 59 -6.408 4.736 4.342 444 HG2 MET 59 1HG MET 59 -9.072 5.347 5.151 445 HG3 MET 59 2HG MET 59 -8.991 3.661 4.645 446 HE1 MET 59 3HE MET 59 -8.835 2.014 6.714 447 HE2 MET 59 1HE MET 59 -7.491 1.913 5.576 448 HE3 MET 59 2HE MET 59 -7.182 1.860 7.311 449 HA PRO 60 HA PRO 60 -4.007 8.564 3.035 450 HB2 PRO 60 1HB PRO 60 -2.457 8.041 5.202 451 HB3 PRO 60 2HB PRO 60 -3.736 9.262 5.207 452 HG2 PRO 60 1HG PRO 60 -3.790 6.457 6.253 453 HG3 PRO 60 2HG PRO 60 -4.432 7.938 6.988 454 HD2 PRO 60 1HD PRO 60 -6.003 6.159 5.685 455 HD3 PRO 60 2HD PRO 60 -6.341 7.902 5.697 456 H GLU 61 H GLU 61 -4.303 5.216 3.739 457 HA GLU 61 HA GLU 61 -1.737 4.242 3.452 458 HB2 GLU 61 1HB GLU 61 -4.326 3.164 3.493 459 HB3 GLU 61 2HB GLU 61 -3.604 2.582 1.999 460 HG2 GLU 61 1HG GLU 61 -1.580 2.020 3.571 461 HG3 GLU 61 2HG GLU 61 -2.826 2.048 4.818 462 H ASP 62 H ASP 62 -3.977 5.342 0.979 463 HA ASP 62 HA ASP 62 -2.316 4.476 -1.206 464 HB2 ASP 62 1HB ASP 62 -3.934 5.839 -2.581 465 HB3 ASP 62 2HB ASP 62 -4.668 4.558 -1.621 466 H LYS 63 H LYS 63 -1.125 5.784 -2.614 467 HA LYS 63 HA LYS 63 -0.499 8.482 -1.611 468 HB2 LYS 63 1HB LYS 63 1.315 6.227 -2.312 469 HB3 LYS 63 2HB LYS 63 1.837 7.853 -2.731 470 HG2 LYS 63 1HG LYS 63 1.992 8.517 -0.529 471 HG3 LYS 63 2HG LYS 63 0.876 7.271 0.034 472 HD2 LYS 63 1HD LYS 63 2.567 5.557 -0.445 473 HD3 LYS 63 2HD LYS 63 3.682 6.815 -0.981 474 HE2 LYS 63 1HE LYS 63 3.145 7.807 1.409 475 HE3 LYS 63 2HE LYS 63 2.763 6.123 1.763 476 HZ1 LYS 63 3HZ LYS 63 5.212 7.165 1.940 477 HZ2 LYS 63 1HZ LYS 63 5.261 6.558 0.362 478 HZ3 LYS 63 2HZ LYS 63 4.909 5.526 1.655 479 H THR 64 H THR 64 0.211 10.004 -3.201 480 HA THR 64 HA THR 64 -1.149 9.673 -5.721 481 HB THR 64 HB THR 64 0.596 12.028 -5.385 482 HG1 THR 64 HG1 THR 64 -0.010 12.224 -3.344 483 HG21 THR 64 3HG2 THR 64 -1.324 13.194 -6.225 484 HG22 THR 64 1HG2 THR 64 -2.366 11.806 -5.917 485 HG23 THR 64 2HG2 THR 64 -1.131 11.719 -7.172 486 H VAL 65 H VAL 65 -0.261 8.787 -7.457 487 HA VAL 65 HA VAL 65 2.666 8.944 -7.780 488 HB VAL 65 HB VAL 65 1.983 6.648 -7.426 489 HG11 VAL 65 1HG1 VAL 65 -0.035 5.973 -8.060 490 HG12 VAL 65 2HG1 VAL 65 -0.255 7.424 -9.040 491 HG13 VAL 65 3HG1 VAL 65 0.519 6.000 -9.734 492 HG21 VAL 65 3HG2 VAL 65 3.258 5.756 -9.088 493 HG22 VAL 65 1HG2 VAL 65 2.419 6.645 -10.359 494 HG23 VAL 65 2HG2 VAL 65 3.621 7.460 -9.360 495 H GLY 66 H GLY 66 -0.432 9.523 -9.198 496 HA2 GLY 66 1HA GLY 66 0.899 10.758 -11.503 497 HA3 GLY 66 2HA GLY 66 -0.362 9.572 -11.808 498 H PHE 67 H PHE 67 0.270 12.806 -11.494 499 HA PHE 67 HA PHE 67 -2.529 13.403 -10.793 500 HB2 PHE 67 1HB PHE 67 -0.523 14.297 -9.356 501 HB3 PHE 67 2HB PHE 67 -0.367 15.472 -10.657 502 HD1 PHE 67 HD2 PHE 67 -2.705 16.574 -11.352 503 HD2 PHE 67 HD1 PHE 67 -1.788 14.897 -7.549 504 HE1 PHE 67 HE2 PHE 67 -4.472 17.944 -10.325 505 HE2 PHE 67 HE1 PHE 67 -3.554 16.264 -6.516 506 HZ PHE 67 HZ PHE 67 -4.898 17.791 -7.904 507 H VAL 68 H VAL 68 -3.763 14.412 -12.256 508 HA VAL 68 HA VAL 68 -2.454 15.662 -14.577 509 HB VAL 68 HB VAL 68 -4.880 13.864 -14.692 510 HG11 VAL 68 1HG1 VAL 68 -4.776 14.196 -17.107 511 HG12 VAL 68 2HG1 VAL 68 -5.015 15.731 -16.270 512 HG13 VAL 68 3HG1 VAL 68 -3.423 15.309 -16.904 513 HG21 VAL 68 3HG2 VAL 68 -1.994 13.460 -15.320 514 HG22 VAL 68 1HG2 VAL 68 -3.148 12.363 -14.561 515 HG23 VAL 68 2HG2 VAL 68 -3.207 12.639 -16.302 516 H VAL 69 H VAL 69 -3.226 17.611 -15.122 517 HA VAL 69 HA VAL 69 -5.627 18.566 -13.713 518 HB VAL 69 HB VAL 69 -3.465 20.255 -14.972 519 HG11 VAL 69 1HG1 VAL 69 -5.922 20.812 -13.379 520 HG12 VAL 69 2HG1 VAL 69 -4.526 21.877 -13.203 521 HG13 VAL 69 3HG1 VAL 69 -5.274 21.656 -14.785 522 HG21 VAL 69 3HG2 VAL 69 -2.191 19.520 -13.274 523 HG22 VAL 69 1HG2 VAL 69 -3.187 20.588 -12.285 524 HG23 VAL 69 2HG2 VAL 69 -3.570 18.870 -12.388 525 H VAL 70 H VAL 70 -7.403 18.894 -14.867 526 HA VAL 70 HA VAL 70 -7.154 19.648 -17.695 527 HB VAL 70 HB VAL 70 -9.092 17.572 -16.664 528 HG11 VAL 70 1HG1 VAL 70 -8.743 17.708 -19.525 529 HG12 VAL 70 2HG1 VAL 70 -10.223 17.796 -18.568 530 HG13 VAL 70 3HG1 VAL 70 -9.282 19.256 -18.876 531 HG21 VAL 70 3HG2 VAL 70 -7.734 16.123 -18.314 532 HG22 VAL 70 1HG2 VAL 70 -6.488 17.358 -18.129 533 HG23 VAL 70 2HG2 VAL 70 -7.052 16.456 -16.722 534 H ASN 71 H ASN 71 -8.004 21.624 -17.782 535 HA ASN 71 HA ASN 71 -10.648 22.048 -16.572 536 HB2 ASN 71 1HB ASN 71 -8.488 24.159 -16.577 537 HB3 ASN 71 2HB ASN 71 -10.042 24.209 -15.751 538 HD21 ASN 71 1HD2 ASN 71 -7.317 24.495 -14.716 539 HD22 ASN 71 2HD2 ASN 71 -7.153 23.291 -13.488 540 H ALA 72 H ALA 72 -11.754 21.938 -18.484 541 HA ALA 72 HA ALA 72 -10.925 23.125 -20.908 542 HB1 ALA 72 3HB ALA 72 -13.542 22.075 -19.902 543 HB2 ALA 72 1HB ALA 72 -13.433 22.885 -21.464 544 HB3 ALA 72 2HB ALA 72 -12.489 21.426 -21.159 545 H ASP 73 H ASP 73 -12.460 24.400 -18.097 546 HA ASP 73 HA ASP 73 -13.768 26.623 -19.238 547 HB2 ASP 73 1HB ASP 73 -13.525 27.589 -16.889 548 HB3 ASP 73 2HB ASP 73 -14.375 26.052 -17.023 549 H LYS 74 H LYS 74 -10.581 26.365 -17.665 550 HA LYS 74 HA LYS 74 -9.860 28.982 -18.762 551 HB2 LYS 74 1HB LYS 74 -8.660 27.236 -16.622 552 HB3 LYS 74 2HB LYS 74 -7.782 28.603 -17.296 553 HG2 LYS 74 1HG LYS 74 -10.537 28.961 -16.189 554 HG3 LYS 74 2HG LYS 74 -9.128 28.926 -15.126 555 HD2 LYS 74 1HD LYS 74 -9.194 30.719 -17.526 556 HD3 LYS 74 2HD LYS 74 -9.967 31.205 -16.015 557 HE2 LYS 74 1HE LYS 74 -7.783 30.763 -14.867 558 HE3 LYS 74 2HE LYS 74 -7.064 30.528 -16.459 559 HZ1 LYS 74 3HZ LYS 74 -7.615 32.946 -15.097 560 HZ2 LYS 74 1HZ LYS 74 -8.435 32.924 -16.577 561 HZ3 LYS 74 2HZ LYS 74 -6.758 32.706 -16.536 562 H LYS 75 H LYS 75 -9.899 26.069 -19.989 563 HA LYS 75 HA LYS 75 -8.693 24.878 -21.513 564 HB2 LYS 75 1HB LYS 75 -7.503 27.590 -22.122 565 HB3 LYS 75 2HB LYS 75 -7.510 26.195 -23.193 566 HG2 LYS 75 1HG LYS 75 -9.765 26.388 -23.650 567 HG3 LYS 75 2HG LYS 75 -10.088 27.312 -22.181 568 HD2 LYS 75 1HD LYS 75 -10.190 28.988 -23.739 569 HD3 LYS 75 2HD LYS 75 -8.474 29.053 -23.331 570 HE2 LYS 75 1HE LYS 75 -7.845 27.972 -25.301 571 HE3 LYS 75 2HE LYS 75 -9.464 27.330 -25.575 572 HZ1 LYS 75 3HZ LYS 75 -9.500 30.166 -25.520 573 HZ2 LYS 75 1HZ LYS 75 -9.993 29.115 -26.751 574 HZ3 LYS 75 2HZ LYS 75 -8.380 29.616 -26.663 575 H LEU 76 H LEU 76 -7.610 24.724 -18.981 576 HA LEU 76 HA LEU 76 -4.708 24.845 -19.463 577 HB2 LEU 76 1HB LEU 76 -6.255 24.806 -16.878 578 HB3 LEU 76 2HB LEU 76 -4.498 24.714 -16.989 579 HG LEU 76 HG LEU 76 -6.220 27.048 -17.822 580 HD11 LEU 76 1HD1 LEU 76 -4.160 27.021 -15.648 581 HD12 LEU 76 2HD1 LEU 76 -5.824 26.529 -15.335 582 HD13 LEU 76 3HD1 LEU 76 -5.482 28.158 -15.918 583 HD21 LEU 76 3HD2 LEU 76 -4.360 26.977 -19.293 584 HD22 LEU 76 1HD2 LEU 76 -3.251 26.582 -17.980 585 HD23 LEU 76 2HD2 LEU 76 -3.987 28.183 -18.060 586 H MET 77 H MET 77 -3.845 22.958 -19.991 587 HA MET 77 HA MET 77 -4.876 20.529 -18.684 588 HB2 MET 77 1HB MET 77 -3.766 20.564 -21.484 589 HB3 MET 77 2HB MET 77 -4.666 19.279 -20.689 590 HG2 MET 77 1HG MET 77 -5.763 21.955 -21.520 591 HG3 MET 77 2HG MET 77 -6.025 20.420 -22.345 592 HE1 MET 77 3HE MET 77 -8.242 20.718 -22.512 593 HE2 MET 77 1HE MET 77 -9.376 20.028 -21.350 594 HE3 MET 77 2HE MET 77 -9.073 21.766 -21.362 595 H SER 78 H SER 78 -3.394 19.471 -17.550 596 HA SER 78 HA SER 78 -0.595 19.545 -18.401 597 HB2 SER 78 1HB SER 78 -1.695 20.670 -15.885 598 HB3 SER 78 2HB SER 78 -0.211 19.729 -15.740 599 HG SER 78 HG SER 78 -0.459 21.734 -17.703 600 H VAL 79 H VAL 79 0.683 17.815 -17.595 601 HA VAL 79 HA VAL 79 -0.709 15.689 -16.152 602 HB VAL 79 HB VAL 79 0.858 14.646 -18.396 603 HG11 VAL 79 1HG1 VAL 79 -1.981 14.090 -17.551 604 HG12 VAL 79 2HG1 VAL 79 -0.924 13.058 -18.516 605 HG13 VAL 79 3HG1 VAL 79 -0.568 13.338 -16.811 606 HG21 VAL 79 3HG2 VAL 79 -0.048 16.488 -19.618 607 HG22 VAL 79 1HG2 VAL 79 -0.981 15.053 -20.045 608 HG23 VAL 79 2HG2 VAL 79 -1.648 16.237 -18.920 609 H SER 80 H SER 80 0.567 14.799 -14.665 610 HA SER 80 HA SER 80 3.433 14.587 -15.099 611 HB2 SER 80 1HB SER 80 2.983 16.853 -14.046 612 HB3 SER 80 2HB SER 80 2.415 15.984 -12.620 613 HG SER 80 HG SER 80 4.644 14.873 -13.007 614 H PHE 81 H PHE 81 3.607 12.451 -14.814 615 HA PHE 81 HA PHE 81 2.650 11.336 -12.267 616 HB2 PHE 81 1HB PHE 81 2.251 9.174 -13.578 617 HB3 PHE 81 2HB PHE 81 1.083 10.472 -13.805 618 HD1 PHE 81 HD2 PHE 81 4.077 8.889 -15.312 619 HD2 PHE 81 HD1 PHE 81 0.635 11.314 -15.933 620 HE1 PHE 81 HE2 PHE 81 4.450 8.791 -17.742 621 HE2 PHE 81 HE1 PHE 81 1.002 11.219 -18.364 622 HZ PHE 81 HZ PHE 81 2.912 9.958 -19.271 623 H SER 82 H SER 82 3.718 9.141 -11.849 624 HA SER 82 HA SER 82 6.441 9.456 -11.551 625 HB2 SER 82 1HB SER 82 5.735 7.758 -10.202 626 HB3 SER 82 2HB SER 82 4.564 7.168 -11.382 627 HG SER 82 HG SER 82 5.985 5.763 -12.002 628 H ASP 83 H ASP 83 8.159 9.267 -12.833 629 HA ASP 83 HA ASP 83 8.000 9.041 -15.589 630 HB2 ASP 83 1HB ASP 83 10.344 8.474 -13.764 631 HB3 ASP 83 2HB ASP 83 10.466 8.641 -15.513 632 H ILE 84 H ILE 84 7.144 7.348 -16.618 633 HA ILE 84 HA ILE 84 7.868 4.639 -15.741 634 HB ILE 84 HB ILE 84 5.978 3.851 -17.073 635 HG12 ILE 84 1HG1 ILE 84 5.520 6.780 -17.681 636 HG13 ILE 84 2HG1 ILE 84 6.040 5.557 -18.836 637 HG21 ILE 84 1HG2 ILE 84 4.396 4.366 -15.514 638 HG22 ILE 84 2HG2 ILE 84 5.831 4.947 -14.670 639 HG23 ILE 84 3HG2 ILE 84 4.788 6.085 -15.522 640 HD11 ILE 84 3HD1 ILE 84 3.775 4.426 -17.930 641 HD12 ILE 84 1HD1 ILE 84 3.370 6.133 -17.759 642 HD13 ILE 84 2HD1 ILE 84 3.855 5.494 -19.330 643 H ASP 85 H ASP 85 7.586 3.118 -17.884 644 HA ASP 85 HA ASP 85 9.949 3.333 -19.291 645 HB2 ASP 85 1HB ASP 85 7.424 2.043 -20.341 646 HB3 ASP 85 2HB ASP 85 9.081 1.649 -20.791 647 H GLU 86 H GLU 86 10.517 4.036 -21.359 648 HA GLU 86 HA GLU 86 9.322 6.455 -22.200 649 HB2 GLU 86 1HB GLU 86 10.889 6.321 -24.106 650 HB3 GLU 86 2HB GLU 86 11.682 6.047 -22.561 651 HG2 GLU 86 1HG GLU 86 11.218 3.527 -23.144 652 HG3 GLU 86 2HG GLU 86 11.160 4.154 -24.790 653 H ASN 87 H ASN 87 9.136 3.141 -23.396 654 HA ASN 87 HA ASN 87 7.852 3.527 -25.807 655 HB2 ASN 87 1HB ASN 87 7.131 1.300 -23.902 656 HB3 ASN 87 2HB ASN 87 7.120 1.266 -25.663 657 HD21 ASN 87 1HD2 ASN 87 9.278 1.667 -26.691 658 HD22 ASN 87 2HD2 ASN 87 10.648 0.917 -25.953 659 H MET 88 H MET 88 6.404 3.266 -22.575 660 HA MET 88 HA MET 88 3.735 3.659 -23.551 661 HB2 MET 88 1HB MET 88 4.662 2.520 -21.325 662 HB3 MET 88 2HB MET 88 4.404 4.140 -20.691 663 HG2 MET 88 1HG MET 88 2.418 3.062 -20.216 664 HG3 MET 88 2HG MET 88 2.054 3.937 -21.702 665 HE1 MET 88 3HE MET 88 0.120 0.901 -21.003 666 HE2 MET 88 1HE MET 88 1.448 -0.205 -20.654 667 HE3 MET 88 2HE MET 88 1.355 1.350 -19.827 668 H LYS 89 H LYS 89 6.312 5.686 -22.403 669 HA LYS 89 HA LYS 89 4.908 7.965 -21.638 670 HB2 LYS 89 1HB LYS 89 7.465 7.399 -21.578 671 HB3 LYS 89 2HB LYS 89 7.486 8.192 -23.148 672 HG2 LYS 89 1HG LYS 89 6.197 9.592 -20.862 673 HG3 LYS 89 2HG LYS 89 7.960 9.525 -20.940 674 HD2 LYS 89 1HD LYS 89 6.473 10.315 -23.392 675 HD3 LYS 89 2HD LYS 89 6.587 11.484 -22.075 676 HE2 LYS 89 1HE LYS 89 8.961 10.069 -23.274 677 HE3 LYS 89 2HE LYS 89 8.394 11.651 -23.807 678 HZ1 LYS 89 3HZ LYS 89 8.607 11.841 -21.076 679 HZ2 LYS 89 1HZ LYS 89 9.667 12.498 -22.219 680 HZ3 LYS 89 2HZ LYS 89 9.984 10.979 -21.547 681 H LYS 90 H LYS 90 5.975 6.922 -24.845 682 HA LYS 90 HA LYS 90 5.283 9.226 -26.271 683 HB2 LYS 90 1HB LYS 90 6.609 7.208 -27.082 684 HB3 LYS 90 2HB LYS 90 5.060 6.418 -27.348 685 HG2 LYS 90 1HG LYS 90 5.378 7.258 -29.423 686 HG3 LYS 90 2HG LYS 90 4.586 8.657 -28.694 687 HD2 LYS 90 1HD LYS 90 7.551 8.429 -28.502 688 HD3 LYS 90 2HD LYS 90 6.837 8.908 -30.044 689 HE2 LYS 90 1HE LYS 90 5.486 10.578 -28.535 690 HE3 LYS 90 2HE LYS 90 6.824 10.322 -27.416 691 HZ1 LYS 90 3HZ LYS 90 6.761 12.051 -29.562 692 HZ2 LYS 90 1HZ LYS 90 7.789 10.795 -30.039 693 HZ3 LYS 90 2HZ LYS 90 8.105 11.652 -28.616 694 H VAL 91 H VAL 91 3.380 6.303 -25.588 695 HA VAL 91 HA VAL 91 1.067 7.041 -26.986 696 HB VAL 91 HB VAL 91 1.280 5.329 -24.505 697 HG11 VAL 91 1HG1 VAL 91 -0.835 4.481 -26.139 698 HG12 VAL 91 2HG1 VAL 91 -0.939 5.243 -24.551 699 HG13 VAL 91 3HG1 VAL 91 -0.991 6.233 -26.010 700 HG21 VAL 91 3HG2 VAL 91 1.501 4.705 -27.438 701 HG22 VAL 91 1HG2 VAL 91 2.657 4.356 -26.152 702 HG23 VAL 91 2HG2 VAL 91 1.132 3.472 -26.232 703 H ILE 92 H ILE 92 1.734 7.311 -23.490 704 HA ILE 92 HA ILE 92 -0.595 8.678 -22.797 705 HB ILE 92 HB ILE 92 2.128 8.896 -21.507 706 HG12 ILE 92 1HG1 ILE 92 -0.218 7.129 -20.783 707 HG13 ILE 92 2HG1 ILE 92 1.193 6.585 -21.684 708 HG21 ILE 92 1HG2 ILE 92 0.146 9.218 -19.583 709 HG22 ILE 92 2HG2 ILE 92 1.202 10.469 -20.238 710 HG23 ILE 92 3HG2 ILE 92 -0.388 10.197 -20.949 711 HD11 ILE 92 3HD1 ILE 92 1.246 6.009 -19.281 712 HD12 ILE 92 1HD1 ILE 92 2.617 6.987 -19.805 713 HD13 ILE 92 2HD1 ILE 92 1.295 7.732 -18.907 714 H LYS 93 H LYS 93 2.644 10.039 -23.419 715 HA LYS 93 HA LYS 93 1.983 12.725 -23.199 716 HB2 LYS 93 1HB LYS 93 4.292 11.828 -23.381 717 HB3 LYS 93 2HB LYS 93 4.010 11.515 -25.089 718 HG2 LYS 93 1HG LYS 93 4.014 13.761 -25.637 719 HG3 LYS 93 2HG LYS 93 3.644 14.268 -23.987 720 HD2 LYS 93 1HD LYS 93 5.855 13.742 -23.253 721 HD3 LYS 93 2HD LYS 93 6.237 12.954 -24.786 722 HE2 LYS 93 1HE LYS 93 6.258 15.010 -25.947 723 HE3 LYS 93 2HE LYS 93 5.483 15.860 -24.611 724 HZ1 LYS 93 3HZ LYS 93 8.277 15.072 -24.941 725 HZ2 LYS 93 1HZ LYS 93 7.643 15.041 -23.373 726 HZ3 LYS 93 2HZ LYS 93 7.623 16.478 -24.265 727 H ALA 94 H ALA 94 1.575 10.520 -25.899 728 HA ALA 94 HA ALA 94 0.944 12.480 -27.850 729 HB1 ALA 94 3HB ALA 94 0.359 9.532 -27.695 730 HB2 ALA 94 1HB ALA 94 -0.050 10.533 -29.088 731 HB3 ALA 94 2HB ALA 94 1.636 10.338 -28.606 732 H THR 95 H THR 95 -1.096 10.358 -25.849 733 HA THR 95 HA THR 95 -3.572 11.266 -26.791 734 HB THR 95 HB THR 95 -2.932 10.210 -24.030 735 HG1 THR 95 HG1 THR 95 -3.723 8.215 -25.060 736 HG21 THR 95 3HG2 THR 95 -5.263 9.629 -23.883 737 HG22 THR 95 1HG2 THR 95 -5.552 10.191 -25.529 738 HG23 THR 95 2HG2 THR 95 -5.140 11.347 -24.263 739 H ALA 96 H ALA 96 -1.437 12.514 -24.296 740 HA ALA 96 HA ALA 96 -3.335 14.431 -23.307 741 HB1 ALA 96 3HB ALA 96 -1.609 13.539 -21.843 742 HB2 ALA 96 1HB ALA 96 -0.356 14.231 -22.874 743 HB3 ALA 96 2HB ALA 96 -1.456 15.290 -21.990 744 H GLU 97 H GLU 97 -0.416 14.589 -25.334 745 HA GLU 97 HA GLU 97 -0.527 17.376 -25.778 746 HB2 GLU 97 1HB GLU 97 0.840 15.096 -27.174 747 HB3 GLU 97 2HB GLU 97 0.896 16.718 -27.849 748 HG2 GLU 97 1HG GLU 97 1.733 17.422 -25.519 749 HG3 GLU 97 2HG GLU 97 2.056 15.705 -25.287 750 H LYS 98 H LYS 98 -2.215 14.707 -27.173 751 HA LYS 98 HA LYS 98 -2.921 15.795 -29.661 752 HB2 LYS 98 1HB LYS 98 -4.022 13.671 -27.887 753 HB3 LYS 98 2HB LYS 98 -5.047 14.261 -29.188 754 HG2 LYS 98 1HG LYS 98 -2.246 13.451 -29.799 755 HG3 LYS 98 2HG LYS 98 -3.477 12.210 -29.556 756 HD2 LYS 98 1HD LYS 98 -4.831 13.759 -31.231 757 HD3 LYS 98 2HD LYS 98 -3.202 14.225 -31.725 758 HE2 LYS 98 1HE LYS 98 -4.321 11.425 -31.646 759 HE3 LYS 98 2HE LYS 98 -4.014 12.387 -33.091 760 HZ1 LYS 98 3HZ LYS 98 -2.219 10.766 -31.611 761 HZ2 LYS 98 1HZ LYS 98 -1.641 12.354 -31.690 762 HZ3 LYS 98 2HZ LYS 98 -1.994 11.511 -33.113 763 H PHE 99 H PHE 99 -4.081 16.425 -26.457 764 HA PHE 99 HA PHE 99 -6.608 17.458 -26.960 765 HB2 PHE 99 1HB PHE 99 -4.539 17.960 -24.862 766 HB3 PHE 99 2HB PHE 99 -5.947 19.015 -24.933 767 HD1 PHE 99 HD1 PHE 99 -4.887 15.488 -24.582 768 HD2 PHE 99 HD2 PHE 99 -8.016 18.329 -24.072 769 HE1 PHE 99 HE1 PHE 99 -6.190 13.823 -23.323 770 HE2 PHE 99 HE2 PHE 99 -9.322 16.669 -22.812 771 HZ PHE 99 HZ PHE 99 -8.410 14.413 -22.434 772 H LYS 100 H LYS 100 -3.487 18.779 -27.654 773 HA LYS 100 HA LYS 100 -4.166 21.503 -27.869 774 HB2 LYS 100 1HB LYS 100 -2.093 21.795 -28.963 775 HB3 LYS 100 2HB LYS 100 -1.839 20.470 -27.836 776 HG2 LYS 100 1HG LYS 100 -0.893 19.495 -29.624 777 HG3 LYS 100 2HG LYS 100 -2.562 19.083 -30.022 778 HD2 LYS 100 1HD LYS 100 -1.652 19.987 -31.998 779 HD3 LYS 100 2HD LYS 100 -2.636 21.278 -31.305 780 HE2 LYS 100 1HE LYS 100 -0.853 22.602 -31.384 781 HE3 LYS 100 2HE LYS 100 -0.085 21.568 -30.180 782 HZ1 LYS 100 3HZ LYS 100 1.349 20.853 -31.690 783 HZ2 LYS 100 1HZ LYS 100 0.727 21.984 -32.785 784 HZ3 LYS 100 2HZ LYS 100 0.114 20.408 -32.756 785 H ASN 101 H ASN 101 -4.695 18.792 -29.967 786 HA ASN 101 HA ASN 101 -4.991 19.995 -32.438 787 HB2 ASN 101 1HB ASN 101 -6.592 17.722 -31.244 788 HB3 ASN 101 2HB ASN 101 -6.585 18.149 -32.952 789 HD21 ASN 101 1HD2 ASN 101 -3.977 18.667 -33.439 790 HD22 ASN 101 2HD2 ASN 101 -3.028 17.243 -33.196 791 H LYS 102 H LYS 102 -7.238 19.883 -29.732 792 HA LYS 102 HA LYS 102 -9.360 21.163 -31.209 793 HB2 LYS 102 1HB LYS 102 -9.387 19.545 -29.063 794 HB3 LYS 102 2HB LYS 102 -9.422 21.100 -28.242 795 HG2 LYS 102 1HG LYS 102 -11.351 20.384 -30.428 796 HG3 LYS 102 2HG LYS 102 -11.654 20.024 -28.727 797 HD2 LYS 102 1HD LYS 102 -11.016 22.602 -28.490 798 HD3 LYS 102 2HD LYS 102 -11.619 22.628 -30.148 799 HE2 LYS 102 1HE LYS 102 -13.756 22.027 -29.519 800 HE3 LYS 102 2HE LYS 102 -13.214 21.262 -28.026 801 HZ1 LYS 102 3HZ LYS 102 -14.230 23.218 -27.336 802 HZ2 LYS 102 1HZ LYS 102 -13.572 24.138 -28.595 803 HZ3 LYS 102 2HZ LYS 102 -12.586 23.617 -27.323 804 H GLY 103 H GLY 103 -6.655 22.147 -29.320 805 HA2 GLY 103 1HA GLY 103 -5.890 24.431 -29.534 806 HA3 GLY 103 2HA GLY 103 -7.572 24.940 -29.547 807 H PHE 104 H PHE 104 -5.688 22.834 -27.377 808 HA PHE 104 HA PHE 104 -6.362 24.656 -25.169 809 HB2 PHE 104 1HB PHE 104 -6.581 21.643 -25.189 810 HB3 PHE 104 2HB PHE 104 -6.623 22.611 -23.719 811 HD1 PHE 104 HD2 PHE 104 -8.443 24.389 -23.528 812 HD2 PHE 104 HD1 PHE 104 -8.519 21.257 -26.410 813 HE1 PHE 104 HE2 PHE 104 -10.866 24.711 -23.808 814 HE2 PHE 104 HE1 PHE 104 -10.942 21.575 -26.695 815 HZ PHE 104 HZ PHE 104 -12.119 23.302 -25.392 816 H LYS 105 H LYS 105 -4.749 25.087 -23.764 817 HA LYS 105 HA LYS 105 -2.087 24.486 -24.467 818 HB2 LYS 105 1HB LYS 105 -2.534 26.507 -23.272 819 HB3 LYS 105 2HB LYS 105 -3.303 25.633 -21.954 820 HG2 LYS 105 1HG LYS 105 -1.066 26.439 -21.366 821 HG3 LYS 105 2HG LYS 105 -1.183 24.679 -21.297 822 HD2 LYS 105 1HD LYS 105 0.036 24.413 -23.289 823 HD3 LYS 105 2HD LYS 105 -0.172 26.107 -23.740 824 HE2 LYS 105 1HE LYS 105 1.284 25.381 -21.230 825 HE3 LYS 105 2HE LYS 105 2.107 25.295 -22.786 826 HZ1 LYS 105 3HZ LYS 105 2.477 27.433 -21.784 827 HZ2 LYS 105 1HZ LYS 105 0.814 27.696 -21.610 828 HZ3 LYS 105 2HZ LYS 105 1.504 27.632 -23.153 829 H VAL 106 H VAL 106 -1.265 22.497 -24.370 830 HA VAL 106 HA VAL 106 -1.859 20.848 -22.001 831 HB VAL 106 HB VAL 106 -2.614 19.827 -24.095 832 HG11 VAL 106 1HG1 VAL 106 -1.411 19.747 -25.981 833 HG12 VAL 106 2HG1 VAL 106 -0.386 20.961 -25.213 834 HG13 VAL 106 3HG1 VAL 106 0.056 19.255 -25.134 835 HG21 VAL 106 3HG2 VAL 106 -2.177 17.953 -22.975 836 HG22 VAL 106 1HG2 VAL 106 -0.629 17.883 -23.818 837 HG23 VAL 106 2HG2 VAL 106 -0.740 18.662 -22.239 838 H GLU 107 H GLU 107 -0.242 20.330 -20.671 839 HA GLU 107 HA GLU 107 2.521 20.520 -21.646 840 HB2 GLU 107 1HB GLU 107 1.590 22.552 -20.241 841 HB3 GLU 107 2HB GLU 107 1.896 21.476 -18.886 842 HG2 GLU 107 1HG GLU 107 4.246 21.222 -19.836 843 HG3 GLU 107 2HG GLU 107 3.856 22.614 -20.845 844 H THR 108 H THR 108 3.273 18.515 -21.476 845 HA THR 108 HA THR 108 2.460 16.863 -19.192 846 HB THR 108 HB THR 108 3.533 14.990 -20.503 847 HG1 THR 108 HG1 THR 108 3.428 16.810 -22.682 848 HG21 THR 108 3HG2 THR 108 1.121 16.515 -21.331 849 HG22 THR 108 1HG2 THR 108 1.261 14.871 -20.711 850 HG23 THR 108 2HG2 THR 108 1.673 15.218 -22.390 851 H ASP 109 H ASP 109 4.030 15.664 -18.004 852 HA ASP 109 HA ASP 109 6.301 17.155 -17.264 853 HB2 ASP 109 1HB ASP 109 5.171 15.613 -15.726 854 HB3 ASP 109 2HB ASP 109 5.667 14.246 -16.721 855 H MET 110 H MET 110 8.024 17.462 -18.509 856 HA MET 110 HA MET 110 8.764 15.820 -20.671 857 HB2 MET 110 1HB MET 110 10.143 18.023 -19.168 858 HB3 MET 110 2HB MET 110 10.994 17.128 -20.420 859 HG2 MET 110 1HG MET 110 8.347 18.436 -20.932 860 HG3 MET 110 2HG MET 110 9.869 19.313 -21.077 861 HE1 MET 110 3HE MET 110 10.469 19.148 -24.477 862 HE2 MET 110 1HE MET 110 10.800 19.755 -22.854 863 HE3 MET 110 2HE MET 110 11.763 18.433 -23.514 Start of MODEL 6 1 H MET 1 H MET 1 1.943 -1.153 -0.576 2 HA MET 1 HA MET 1 -0.217 0.679 0.168 3 HB2 MET 1 1HB MET 1 1.059 2.636 -0.264 4 HB3 MET 1 2HB MET 1 2.027 1.645 0.819 5 HG2 MET 1 1HG MET 1 3.129 0.773 -1.348 6 HG3 MET 1 2HG MET 1 2.430 2.213 -2.085 7 HE1 MET 1 3HE MET 1 5.691 1.204 -1.495 8 HE2 MET 1 1HE MET 1 6.341 1.952 -0.035 9 HE3 MET 1 2HE MET 1 5.125 0.681 0.093 10 H THR 2 H THR 2 -1.285 1.644 -1.571 11 HA THR 2 HA THR 2 -0.738 0.378 -4.169 12 HB THR 2 HB THR 2 -3.311 1.788 -3.567 13 HG1 THR 2 HG1 THR 2 -4.100 -0.031 -2.555 14 HG21 THR 2 3HG2 THR 2 -4.098 -0.211 -5.000 15 HG22 THR 2 1HG2 THR 2 -2.388 -0.420 -5.377 16 HG23 THR 2 2HG2 THR 2 -3.204 1.087 -5.791 17 H LEU 3 H LEU 3 -0.743 1.602 -6.068 18 HA LEU 3 HA LEU 3 -0.043 4.407 -5.672 19 HB2 LEU 3 1HB LEU 3 0.418 2.385 -7.802 20 HB3 LEU 3 2HB LEU 3 0.402 4.086 -8.261 21 HG LEU 3 HG LEU 3 2.673 3.244 -7.879 22 HD11 LEU 3 1HD1 LEU 3 2.939 4.956 -5.735 23 HD12 LEU 3 2HD1 LEU 3 1.459 5.505 -6.520 24 HD13 LEU 3 3HD1 LEU 3 2.960 5.408 -7.440 25 HD21 LEU 3 3HD2 LEU 3 1.943 2.962 -4.977 26 HD22 LEU 3 1HD2 LEU 3 3.432 2.472 -5.787 27 HD23 LEU 3 2HD2 LEU 3 1.931 1.599 -6.097 28 H CYS 4 H CYS 4 -1.723 5.757 -5.671 29 HA CYS 4 HA CYS 4 -3.859 5.339 -7.653 30 HB2 CYS 4 1HB CYS 4 -5.350 6.526 -6.198 31 HB3 CYS 4 2HB CYS 4 -4.515 5.318 -5.229 32 HG CYS 4 HG CYS 4 -4.490 7.294 -3.468 33 H ALA 5 H ALA 5 -4.531 7.028 -8.953 34 HA ALA 5 HA ALA 5 -2.729 9.360 -9.007 35 HB1 ALA 5 3HB ALA 5 -4.280 8.317 -11.361 36 HB2 ALA 5 1HB ALA 5 -2.924 9.445 -11.354 37 HB3 ALA 5 2HB ALA 5 -2.661 7.746 -10.958 38 H MET 6 H MET 6 -3.607 11.410 -9.462 39 HA MET 6 HA MET 6 -6.498 11.610 -8.934 40 HB2 MET 6 1HB MET 6 -4.160 13.212 -8.039 41 HB3 MET 6 2HB MET 6 -5.652 14.084 -8.359 42 HG2 MET 6 1HG MET 6 -5.540 13.523 -6.032 43 HG3 MET 6 2HG MET 6 -6.828 12.593 -6.794 44 HE1 MET 6 3HE MET 6 -7.288 11.077 -5.408 45 HE2 MET 6 1HE MET 6 -6.699 9.521 -5.993 46 HE3 MET 6 2HE MET 6 -6.230 10.095 -4.393 47 H TYR 7 H TYR 7 -7.623 12.058 -10.704 48 HA TYR 7 HA TYR 7 -6.386 13.727 -12.787 49 HB2 TYR 7 1HB TYR 7 -7.320 11.314 -13.215 50 HB3 TYR 7 2HB TYR 7 -8.880 12.128 -13.237 51 HD1 TYR 7 HD1 TYR 7 -8.708 14.457 -14.704 52 HD2 TYR 7 HD2 TYR 7 -6.437 10.908 -15.296 53 HE1 TYR 7 HE1 TYR 7 -8.351 15.085 -17.055 54 HE2 TYR 7 HE2 TYR 7 -6.073 11.526 -17.649 55 HH TYR 7 HH TYR 7 -7.730 14.218 -19.118 56 H ASN 8 H ASN 8 -6.922 15.794 -12.465 57 HA ASN 8 HA ASN 8 -9.582 16.483 -11.490 58 HB2 ASN 8 1HB ASN 8 -7.768 17.647 -10.421 59 HB3 ASN 8 2HB ASN 8 -7.103 18.143 -11.974 60 HD21 ASN 8 1HD2 ASN 8 -10.258 18.274 -10.346 61 HD22 ASN 8 2HD2 ASN 8 -10.554 19.941 -10.690 62 H ILE 9 H ILE 9 -11.105 16.502 -13.022 63 HA ILE 9 HA ILE 9 -10.492 17.866 -15.563 64 HB ILE 9 HB ILE 9 -10.937 15.464 -15.873 65 HG12 ILE 9 1HG1 ILE 9 -13.120 17.280 -16.919 66 HG13 ILE 9 2HG1 ILE 9 -11.536 17.040 -17.649 67 HG21 ILE 9 1HG2 ILE 9 -12.490 15.339 -13.875 68 HG22 ILE 9 2HG2 ILE 9 -13.742 15.987 -14.932 69 HG23 ILE 9 3HG2 ILE 9 -12.985 14.440 -15.309 70 HD11 ILE 9 3HD1 ILE 9 -13.937 15.551 -18.017 71 HD12 ILE 9 1HD1 ILE 9 -12.393 15.403 -18.855 72 HD13 ILE 9 2HD1 ILE 9 -12.682 14.492 -17.373 73 H SER 10 H SER 10 -11.709 19.567 -16.110 74 HA SER 10 HA SER 10 -14.264 19.987 -14.722 75 HB2 SER 10 1HB SER 10 -12.488 22.339 -15.248 76 HB3 SER 10 2HB SER 10 -13.746 22.137 -14.028 77 HG SER 10 HG SER 10 -12.188 20.437 -13.198 78 H MET 11 H MET 11 -15.666 19.778 -16.360 79 HA MET 11 HA MET 11 -15.244 20.244 -19.046 80 HB2 MET 11 1HB MET 11 -17.301 19.259 -17.677 81 HB3 MET 11 2HB MET 11 -17.935 20.879 -17.935 82 HG2 MET 11 1HG MET 11 -18.044 20.617 -20.225 83 HG3 MET 11 2HG MET 11 -16.853 19.318 -20.235 84 HE1 MET 11 3HE MET 11 -20.769 19.963 -20.427 85 HE2 MET 11 1HE MET 11 -19.574 19.682 -21.693 86 HE3 MET 11 2HE MET 11 -20.765 18.438 -21.314 87 H ALA 12 H ALA 12 -16.441 21.952 -20.374 88 HA ALA 12 HA ALA 12 -15.317 24.468 -19.851 89 HB1 ALA 12 3HB ALA 12 -16.361 23.315 -22.039 90 HB2 ALA 12 1HB ALA 12 -17.689 24.392 -21.605 91 HB3 ALA 12 2HB ALA 12 -16.078 25.050 -21.896 92 H GLY 13 H GLY 13 -15.860 25.515 -18.012 93 HA2 GLY 13 1HA GLY 13 -17.129 26.670 -16.487 94 HA3 GLY 13 2HA GLY 13 -18.230 26.964 -17.825 95 H SER 14 H SER 14 -17.309 24.166 -15.810 96 HA SER 14 HA SER 14 -20.177 23.719 -15.313 97 HB2 SER 14 1HB SER 14 -18.053 21.728 -16.082 98 HB3 SER 14 2HB SER 14 -19.511 21.227 -15.226 99 HG SER 14 HG SER 14 -20.719 21.738 -16.944 100 H HIS 15 H HIS 15 -17.294 22.009 -14.167 101 HA HIS 15 HA HIS 15 -17.017 23.215 -11.682 102 HB2 HIS 15 1HB HIS 15 -18.109 21.362 -10.279 103 HB3 HIS 15 2HB HIS 15 -19.173 22.568 -10.997 104 HD1 HIS 15 HD1 HIS 15 -21.206 21.541 -11.927 105 HD2 HIS 15 HD2 HIS 15 -17.927 19.010 -12.252 106 HE1 HIS 15 HE1 HIS 15 -22.075 19.454 -13.027 107 HA PRO 16 HA PRO 16 -13.554 20.523 -11.571 108 HB2 PRO 16 1HB PRO 16 -13.073 20.358 -8.905 109 HB3 PRO 16 2HB PRO 16 -12.746 21.814 -9.851 110 HG2 PRO 16 1HG PRO 16 -15.089 21.181 -8.100 111 HG3 PRO 16 2HG PRO 16 -14.172 22.692 -8.238 112 HD2 PRO 16 1HD PRO 16 -16.564 22.325 -9.452 113 HD3 PRO 16 2HD PRO 16 -15.286 23.342 -10.148 114 H THR 17 H THR 17 -13.452 18.399 -11.893 115 HA THR 17 HA THR 17 -15.035 16.628 -10.145 116 HB THR 17 HB THR 17 -14.457 16.289 -13.094 117 HG1 THR 17 HG1 THR 17 -16.424 17.034 -13.348 118 HG21 THR 17 3HG2 THR 17 -14.536 14.092 -12.604 119 HG22 THR 17 1HG2 THR 17 -16.271 14.361 -12.441 120 HG23 THR 17 2HG2 THR 17 -15.239 14.372 -11.011 121 H THR 18 H THR 18 -13.624 15.700 -8.799 122 HA THR 18 HA THR 18 -10.926 15.072 -9.645 123 HB THR 18 HB THR 18 -11.991 14.144 -7.018 124 HG1 THR 18 HG1 THR 18 -11.310 16.863 -7.526 125 HG21 THR 18 3HG2 THR 18 -9.727 15.128 -6.339 126 HG22 THR 18 1HG2 THR 18 -9.406 15.266 -8.067 127 HG23 THR 18 2HG2 THR 18 -9.709 13.683 -7.351 128 H ILE 19 H ILE 19 -10.702 13.328 -10.904 129 HA ILE 19 HA ILE 19 -12.243 10.910 -10.254 130 HB ILE 19 HB ILE 19 -10.676 11.382 -12.783 131 HG12 ILE 19 1HG1 ILE 19 -13.600 11.959 -12.260 132 HG13 ILE 19 2HG1 ILE 19 -12.350 13.162 -12.554 133 HG21 ILE 19 1HG2 ILE 19 -11.820 9.545 -13.657 134 HG22 ILE 19 2HG2 ILE 19 -11.432 9.057 -12.008 135 HG23 ILE 19 3HG2 ILE 19 -13.060 9.605 -12.405 136 HD11 ILE 19 3HD1 ILE 19 -13.240 11.059 -14.513 137 HD12 ILE 19 1HD1 ILE 19 -13.725 12.755 -14.528 138 HD13 ILE 19 2HD1 ILE 19 -12.039 12.317 -14.803 139 H CYS 20 H CYS 20 -11.136 9.669 -8.874 140 HA CYS 20 HA CYS 20 -8.246 9.522 -8.973 141 HB2 CYS 20 1HB CYS 20 -10.115 7.921 -7.222 142 HB3 CYS 20 2HB CYS 20 -8.402 8.226 -6.961 143 HG CYS 20 HG CYS 20 -10.251 9.660 -5.200 144 H VAL 21 H VAL 21 -7.108 8.042 -10.035 145 HA VAL 21 HA VAL 21 -8.332 5.457 -10.666 146 HB VAL 21 HB VAL 21 -6.856 7.077 -12.742 147 HG11 VAL 21 1HG1 VAL 21 -6.623 5.041 -13.644 148 HG12 VAL 21 2HG1 VAL 21 -7.827 4.325 -12.570 149 HG13 VAL 21 3HG1 VAL 21 -8.339 5.173 -14.030 150 HG21 VAL 21 3HG2 VAL 21 -9.726 6.962 -12.026 151 HG22 VAL 21 1HG2 VAL 21 -8.787 8.267 -12.750 152 HG23 VAL 21 2HG2 VAL 21 -9.330 6.915 -13.744 153 H VAL 22 H VAL 22 -6.989 3.800 -10.330 154 HA VAL 22 HA VAL 22 -4.478 4.119 -9.151 155 HB VAL 22 HB VAL 22 -4.157 1.690 -9.580 156 HG11 VAL 22 1HG1 VAL 22 -5.429 1.256 -7.798 157 HG12 VAL 22 2HG1 VAL 22 -5.950 2.939 -7.902 158 HG13 VAL 22 3HG1 VAL 22 -6.914 1.667 -8.654 159 HG21 VAL 22 3HG2 VAL 22 -5.134 1.326 -11.685 160 HG22 VAL 22 1HG2 VAL 22 -6.203 0.510 -10.545 161 HG23 VAL 22 2HG2 VAL 22 -6.654 2.081 -11.205 162 H MET 23 H MET 23 -2.370 3.648 -9.914 163 HA MET 23 HA MET 23 -1.659 4.826 -12.323 164 HB2 MET 23 1HB MET 23 -0.096 4.477 -10.458 165 HB3 MET 23 2HB MET 23 -0.122 2.744 -10.759 166 HG2 MET 23 1HG MET 23 0.619 3.550 -13.178 167 HG3 MET 23 2HG MET 23 1.232 4.914 -12.246 168 HE1 MET 23 3HE MET 23 2.684 0.570 -12.118 169 HE2 MET 23 1HE MET 23 0.989 1.046 -12.225 170 HE3 MET 23 2HE MET 23 2.090 1.400 -13.557 171 H ASP 24 H ASP 24 -2.461 1.493 -11.595 172 HA ASP 24 HA ASP 24 -1.528 0.341 -13.998 173 HB2 ASP 24 1HB ASP 24 -3.600 -0.506 -11.981 174 HB3 ASP 24 2HB ASP 24 -3.253 -1.469 -13.414 175 H ARG 25 H ARG 25 -4.333 2.201 -13.231 176 HA ARG 25 HA ARG 25 -5.466 1.601 -15.884 177 HB2 ARG 25 1HB ARG 25 -6.792 2.470 -13.318 178 HB3 ARG 25 2HB ARG 25 -7.602 2.558 -14.877 179 HG2 ARG 25 1HG ARG 25 -7.133 0.089 -15.119 180 HG3 ARG 25 2HG ARG 25 -6.650 0.110 -13.422 181 HD2 ARG 25 1HD ARG 25 -8.790 0.549 -12.681 182 HD3 ARG 25 2HD ARG 25 -9.284 1.269 -14.213 183 HE ARG 25 HE ARG 25 -9.909 -0.806 -14.940 184 HH11 ARG 25 1HH1 ARG 25 -7.831 -1.155 -12.169 185 HH12 ARG 25 2HH1 ARG 25 -8.080 -2.865 -12.034 186 HH21 ARG 25 1HH2 ARG 25 -10.245 -3.056 -14.772 187 HH22 ARG 25 2HH2 ARG 25 -9.453 -3.945 -13.516 188 H PHE 26 H PHE 26 -3.380 3.614 -14.919 189 HA PHE 26 HA PHE 26 -4.467 6.204 -15.083 190 HB2 PHE 26 1HB PHE 26 -2.037 5.260 -14.445 191 HB3 PHE 26 2HB PHE 26 -1.713 5.758 -16.102 192 HD1 PHE 26 HD2 PHE 26 -3.423 8.153 -16.312 193 HD2 PHE 26 HD1 PHE 26 -0.900 6.818 -13.155 194 HE1 PHE 26 HE2 PHE 26 -3.142 10.478 -15.558 195 HE2 PHE 26 HE1 PHE 26 -0.616 9.141 -12.395 196 HZ PHE 26 HZ PHE 26 -1.736 10.975 -13.598 197 H LEU 27 H LEU 27 -2.728 4.318 -17.563 198 HA LEU 27 HA LEU 27 -3.075 6.101 -19.672 199 HB2 LEU 27 1HB LEU 27 -1.564 4.130 -19.654 200 HB3 LEU 27 2HB LEU 27 -2.976 3.094 -19.853 201 HG LEU 27 HG LEU 27 -3.386 3.976 -22.049 202 HD11 LEU 27 1HD1 LEU 27 -1.682 6.128 -21.112 203 HD12 LEU 27 2HD1 LEU 27 -2.861 6.106 -22.423 204 HD13 LEU 27 3HD1 LEU 27 -1.214 5.546 -22.710 205 HD21 LEU 27 3HD2 LEU 27 -0.422 3.506 -21.916 206 HD22 LEU 27 1HD2 LEU 27 -1.553 3.059 -23.193 207 HD23 LEU 27 2HD2 LEU 27 -1.592 2.212 -21.646 208 H GLU 28 H GLU 28 -5.098 3.347 -18.694 209 HA GLU 28 HA GLU 28 -6.988 3.501 -20.737 210 HB2 GLU 28 1HB GLU 28 -6.700 1.703 -18.931 211 HB3 GLU 28 2HB GLU 28 -7.673 2.746 -17.903 212 HG2 GLU 28 1HG GLU 28 -9.578 2.449 -19.177 213 HG3 GLU 28 2HG GLU 28 -8.669 1.950 -20.602 214 H SER 29 H SER 29 -6.933 5.103 -17.573 215 HA SER 29 HA SER 29 -9.424 6.363 -17.740 216 HB2 SER 29 1HB SER 29 -8.505 6.460 -15.612 217 HB3 SER 29 2HB SER 29 -6.905 6.901 -16.210 218 HG SER 29 HG SER 29 -9.207 8.564 -16.155 219 H PHE 30 H PHE 30 -6.199 7.584 -18.617 220 HA PHE 30 HA PHE 30 -7.024 10.106 -19.517 221 HB2 PHE 30 1HB PHE 30 -4.622 8.994 -19.137 222 HB3 PHE 30 2HB PHE 30 -4.731 8.792 -20.882 223 HD1 PHE 30 HD1 PHE 30 -5.400 10.927 -22.222 224 HD2 PHE 30 HD2 PHE 30 -3.801 10.965 -18.278 225 HE1 PHE 30 HE1 PHE 30 -4.686 13.260 -22.538 226 HE2 PHE 30 HE2 PHE 30 -3.086 13.299 -18.587 227 HZ PHE 30 HZ PHE 30 -3.529 14.450 -20.719 228 H SER 31 H SER 31 -6.672 7.029 -21.226 229 HA SER 31 HA SER 31 -7.129 7.942 -23.824 230 HB2 SER 31 1HB SER 31 -6.399 5.750 -23.792 231 HB3 SER 31 2HB SER 31 -7.440 5.312 -22.438 232 HG SER 31 HG SER 31 -9.066 4.954 -23.777 233 H GLU 32 H GLU 32 -9.463 6.572 -21.503 234 HA GLU 32 HA GLU 32 -11.738 6.980 -23.108 235 HB2 GLU 32 1HB GLU 32 -11.452 5.540 -20.978 236 HB3 GLU 32 2HB GLU 32 -11.816 7.020 -20.104 237 HG2 GLU 32 1HG GLU 32 -13.903 6.149 -20.246 238 HG3 GLU 32 2HG GLU 32 -13.877 7.073 -21.747 239 H LEU 33 H LEU 33 -10.047 9.050 -20.842 240 HA LEU 33 HA LEU 33 -12.017 11.036 -20.546 241 HB2 LEU 33 1HB LEU 33 -9.744 10.631 -19.314 242 HB3 LEU 33 2HB LEU 33 -9.109 11.709 -20.555 243 HG LEU 33 HG LEU 33 -9.588 12.910 -18.488 244 HD11 LEU 33 1HD1 LEU 33 -11.754 13.921 -20.205 245 HD12 LEU 33 2HD1 LEU 33 -10.188 13.714 -20.989 246 HD13 LEU 33 3HD1 LEU 33 -10.331 14.742 -19.563 247 HD21 LEU 33 3HD2 LEU 33 -12.514 12.610 -18.812 248 HD22 LEU 33 1HD2 LEU 33 -11.548 12.837 -17.353 249 HD23 LEU 33 2HD2 LEU 33 -11.642 11.246 -18.109 250 H TYR 34 H TYR 34 -9.328 10.725 -22.839 251 HA TYR 34 HA TYR 34 -9.646 13.166 -24.154 252 HB2 TYR 34 1HB TYR 34 -7.668 11.891 -24.556 253 HB3 TYR 34 2HB TYR 34 -8.596 10.506 -25.120 254 HD1 TYR 34 HD1 TYR 34 -8.304 14.142 -25.970 255 HD2 TYR 34 HD2 TYR 34 -8.523 10.136 -27.388 256 HE1 TYR 34 HE1 TYR 34 -8.099 14.956 -28.282 257 HE2 TYR 34 HE2 TYR 34 -8.317 10.939 -29.704 258 HH TYR 34 HH TYR 34 -8.279 12.731 -31.034 259 H ASP 35 H ASP 35 -11.562 10.314 -24.244 260 HA ASP 35 HA ASP 35 -12.847 10.989 -26.758 261 HB2 ASP 35 1HB ASP 35 -12.803 8.676 -24.941 262 HB3 ASP 35 2HB ASP 35 -14.374 8.996 -25.672 263 H ILE 36 H ILE 36 -14.036 10.407 -23.443 264 HA ILE 36 HA ILE 36 -16.571 11.478 -23.782 265 HB ILE 36 HB ILE 36 -15.977 10.199 -21.802 266 HG12 ILE 36 1HG1 ILE 36 -16.805 13.019 -21.081 267 HG13 ILE 36 2HG1 ILE 36 -17.883 11.771 -21.694 268 HG21 ILE 36 1HG2 ILE 36 -14.468 12.577 -20.761 269 HG22 ILE 36 2HG2 ILE 36 -14.505 10.932 -20.128 270 HG23 ILE 36 3HG2 ILE 36 -13.671 11.275 -21.643 271 HD11 ILE 36 3HD1 ILE 36 -16.369 11.684 -19.096 272 HD12 ILE 36 1HD1 ILE 36 -18.092 12.003 -19.293 273 HD13 ILE 36 2HD1 ILE 36 -17.435 10.420 -19.709 274 H ILE 37 H ILE 37 -13.535 13.087 -23.021 275 HA ILE 37 HA ILE 37 -14.567 15.605 -22.333 276 HB ILE 37 HB ILE 37 -12.187 14.825 -22.020 277 HG12 ILE 37 1HG1 ILE 37 -11.301 17.204 -22.851 278 HG13 ILE 37 2HG1 ILE 37 -13.027 17.496 -23.037 279 HG21 ILE 37 1HG2 ILE 37 -10.643 14.848 -23.753 280 HG22 ILE 37 2HG2 ILE 37 -12.067 14.128 -24.502 281 HG23 ILE 37 3HG2 ILE 37 -11.679 15.822 -24.796 282 HD11 ILE 37 3HD1 ILE 37 -11.942 18.170 -20.841 283 HD12 ILE 37 1HD1 ILE 37 -13.430 17.229 -20.754 284 HD13 ILE 37 2HD1 ILE 37 -11.874 16.445 -20.481 285 H ASP 38 H ASP 38 -14.068 14.065 -25.411 286 HA ASP 38 HA ASP 38 -14.176 16.415 -27.011 287 HB2 ASP 38 1HB ASP 38 -13.331 14.037 -27.627 288 HB3 ASP 38 2HB ASP 38 -15.022 13.704 -27.989 289 H GLU 39 H GLU 39 -16.583 14.158 -25.791 290 HA GLU 39 HA GLU 39 -18.710 15.589 -27.195 291 HB2 GLU 39 1HB GLU 39 -18.820 13.096 -25.488 292 HB3 GLU 39 2HB GLU 39 -20.176 13.787 -26.369 293 HG2 GLU 39 1HG GLU 39 -19.348 13.146 -28.419 294 HG3 GLU 39 2HG GLU 39 -17.687 13.048 -27.835 295 H ASN 40 H ASN 40 -20.632 16.266 -26.016 296 HA ASN 40 HA ASN 40 -19.916 17.355 -23.386 297 HB2 ASN 40 1HB ASN 40 -21.962 18.838 -23.834 298 HB3 ASN 40 2HB ASN 40 -20.531 19.121 -24.820 299 HD21 ASN 40 1HD2 ASN 40 -23.820 18.181 -24.777 300 HD22 ASN 40 2HD2 ASN 40 -24.019 17.979 -26.481 301 H ASP 41 H ASP 41 -20.527 14.734 -23.246 302 HA ASP 41 HA ASP 41 -23.349 14.425 -22.628 303 HB2 ASP 41 1HB ASP 41 -21.079 12.443 -22.353 304 HB3 ASP 41 2HB ASP 41 -22.796 12.079 -22.216 305 H THR 42 H THR 42 -23.997 15.289 -20.762 306 HA THR 42 HA THR 42 -22.252 15.458 -18.471 307 HB THR 42 HB THR 42 -25.197 16.124 -18.640 308 HG1 THR 42 HG1 THR 42 -22.871 17.551 -19.340 309 HG21 THR 42 3HG2 THR 42 -23.749 17.744 -16.808 310 HG22 THR 42 1HG2 THR 42 -23.363 16.058 -16.465 311 HG23 THR 42 2HG2 THR 42 -25.043 16.595 -16.469 312 H ASP 43 H ASP 43 -25.341 13.833 -19.184 313 HA ASP 43 HA ASP 43 -25.642 12.489 -16.770 314 HB2 ASP 43 1HB ASP 43 -26.462 11.543 -19.525 315 HB3 ASP 43 2HB ASP 43 -27.095 10.933 -17.999 316 H VAL 44 H VAL 44 -23.507 11.860 -19.423 317 HA VAL 44 HA VAL 44 -22.900 9.155 -18.595 318 HB VAL 44 HB VAL 44 -21.535 10.910 -20.643 319 HG11 VAL 44 1HG1 VAL 44 -20.986 8.208 -19.618 320 HG12 VAL 44 2HG1 VAL 44 -20.997 8.362 -21.376 321 HG13 VAL 44 3HG1 VAL 44 -19.915 9.364 -20.409 322 HG21 VAL 44 3HG2 VAL 44 -22.769 9.608 -22.294 323 HG22 VAL 44 1HG2 VAL 44 -23.560 8.702 -21.004 324 HG23 VAL 44 2HG2 VAL 44 -23.875 10.427 -21.192 325 H MET 45 H MET 45 -21.727 12.346 -17.985 326 HA MET 45 HA MET 45 -19.078 11.865 -17.292 327 HB2 MET 45 1HB MET 45 -20.143 14.109 -17.472 328 HB3 MET 45 2HB MET 45 -20.961 13.808 -15.945 329 HG2 MET 45 1HG MET 45 -19.106 14.170 -14.718 330 HG3 MET 45 2HG MET 45 -18.034 13.481 -15.936 331 HE1 MET 45 3HE MET 45 -16.191 15.810 -15.459 332 HE2 MET 45 1HE MET 45 -16.387 14.645 -16.768 333 HE3 MET 45 2HE MET 45 -16.255 16.366 -17.132 334 H MET 46 H MET 46 -21.951 11.830 -15.182 335 HA MET 46 HA MET 46 -20.695 11.138 -12.808 336 HB2 MET 46 1HB MET 46 -23.097 11.810 -13.091 337 HB3 MET 46 2HB MET 46 -23.426 10.187 -13.682 338 HG2 MET 46 1HG MET 46 -24.050 10.244 -11.403 339 HG3 MET 46 2HG MET 46 -22.559 9.311 -11.510 340 HE1 MET 46 3HE MET 46 -23.970 11.615 -8.794 341 HE2 MET 46 1HE MET 46 -23.493 9.930 -9.007 342 HE3 MET 46 2HE MET 46 -22.481 11.018 -8.058 343 H ASP 47 H ASP 47 -22.284 8.924 -15.112 344 HA ASP 47 HA ASP 47 -21.582 6.538 -13.877 345 HB2 ASP 47 1HB ASP 47 -22.370 7.336 -16.626 346 HB3 ASP 47 2HB ASP 47 -21.599 5.762 -16.451 347 H PHE 48 H PHE 48 -19.746 8.564 -16.086 348 HA PHE 48 HA PHE 48 -17.642 6.724 -16.555 349 HB2 PHE 48 1HB PHE 48 -17.878 8.513 -18.100 350 HB3 PHE 48 2HB PHE 48 -17.841 9.721 -16.820 351 HD1 PHE 48 HD2 PHE 48 -15.747 7.114 -18.444 352 HD2 PHE 48 HD1 PHE 48 -15.854 10.779 -16.282 353 HE1 PHE 48 HE2 PHE 48 -13.321 7.371 -18.764 354 HE2 PHE 48 HE1 PHE 48 -13.428 11.042 -16.599 355 HZ PHE 48 HZ PHE 48 -12.158 9.335 -17.841 356 H ILE 49 H ILE 49 -18.048 9.387 -14.250 357 HA ILE 49 HA ILE 49 -15.496 9.240 -13.086 358 HB ILE 49 HB ILE 49 -18.090 10.142 -11.828 359 HG12 ILE 49 1HG1 ILE 49 -16.019 12.062 -12.738 360 HG13 ILE 49 2HG1 ILE 49 -16.928 11.236 -13.998 361 HG21 ILE 49 1HG2 ILE 49 -16.658 9.827 -10.025 362 HG22 ILE 49 2HG2 ILE 49 -15.236 10.323 -10.942 363 HG23 ILE 49 3HG2 ILE 49 -16.420 11.526 -10.431 364 HD11 ILE 49 3HD1 ILE 49 -18.986 12.100 -13.185 365 HD12 ILE 49 1HD1 ILE 49 -18.212 12.732 -11.731 366 HD13 ILE 49 2HD1 ILE 49 -17.849 13.444 -13.304 367 H SER 50 H SER 50 -18.530 7.604 -12.301 368 HA SER 50 HA SER 50 -17.431 6.273 -10.002 369 HB2 SER 50 1HB SER 50 -20.030 6.001 -11.512 370 HB3 SER 50 2HB SER 50 -19.612 4.947 -10.160 371 HG SER 50 HG SER 50 -19.916 6.548 -8.803 372 H ARG 51 H ARG 51 -17.696 5.629 -13.394 373 HA ARG 51 HA ARG 51 -17.370 2.807 -13.273 374 HB2 ARG 51 1HB ARG 51 -18.301 3.780 -15.260 375 HB3 ARG 51 2HB ARG 51 -16.891 4.806 -15.483 376 HG2 ARG 51 1HG ARG 51 -15.568 3.046 -16.216 377 HG3 ARG 51 2HG ARG 51 -16.629 1.827 -15.507 378 HD2 ARG 51 1HD ARG 51 -18.388 2.604 -17.159 379 HD3 ARG 51 2HD ARG 51 -17.101 3.507 -17.957 380 HE ARG 51 HE ARG 51 -16.351 0.798 -17.610 381 HH11 ARG 51 1HH1 ARG 51 -18.401 2.858 -19.528 382 HH12 ARG 51 2HH1 ARG 51 -18.384 1.810 -20.907 383 HH21 ARG 51 1HH2 ARG 51 -16.321 -0.590 -19.420 384 HH22 ARG 51 2HH2 ARG 51 -17.201 -0.151 -20.845 385 H PHE 52 H PHE 52 -15.112 5.486 -13.868 386 HA PHE 52 HA PHE 52 -12.850 3.664 -13.815 387 HB2 PHE 52 1HB PHE 52 -13.158 6.607 -14.355 388 HB3 PHE 52 2HB PHE 52 -11.570 5.891 -14.098 389 HD1 PHE 52 HD1 PHE 52 -14.621 5.579 -16.194 390 HD2 PHE 52 HD2 PHE 52 -10.430 4.916 -15.866 391 HE1 PHE 52 HE1 PHE 52 -14.544 4.916 -18.562 392 HE2 PHE 52 HE2 PHE 52 -10.346 4.253 -18.233 393 HZ PHE 52 HZ PHE 52 -12.404 4.253 -19.585 394 H ALA 53 H ALA 53 -14.005 6.473 -11.964 395 HA ALA 53 HA ALA 53 -12.064 5.907 -9.860 396 HB1 ALA 53 3HB ALA 53 -13.828 8.065 -9.209 397 HB2 ALA 53 1HB ALA 53 -12.093 8.098 -9.523 398 HB3 ALA 53 2HB ALA 53 -13.235 8.258 -10.859 399 H ARG 54 H ARG 54 -12.611 5.379 -7.755 400 HA ARG 54 HA ARG 54 -15.022 3.871 -7.441 401 HB2 ARG 54 1HB ARG 54 -12.679 3.478 -6.379 402 HB3 ARG 54 2HB ARG 54 -13.218 4.631 -5.166 403 HG2 ARG 54 1HG ARG 54 -13.825 2.663 -4.181 404 HG3 ARG 54 2HG ARG 54 -15.310 3.058 -5.049 405 HD2 ARG 54 1HD ARG 54 -13.234 1.435 -6.434 406 HD3 ARG 54 2HD ARG 54 -14.224 0.660 -5.198 407 HE ARG 54 HE ARG 54 -15.973 1.987 -6.873 408 HH11 ARG 54 1HH1 ARG 54 -13.611 -0.556 -7.143 409 HH12 ARG 54 2HH1 ARG 54 -14.432 -1.358 -8.441 410 HH21 ARG 54 1HH2 ARG 54 -17.064 0.940 -8.581 411 HH22 ARG 54 2HH2 ARG 54 -16.396 -0.506 -9.259 412 H THR 55 H THR 55 -14.372 7.123 -7.214 413 HA THR 55 HA THR 55 -15.565 8.911 -6.461 414 HB THR 55 HB THR 55 -17.814 7.203 -5.497 415 HG1 THR 55 HG1 THR 55 -16.851 7.339 -8.138 416 HG21 THR 55 3HG2 THR 55 -19.122 8.981 -6.660 417 HG22 THR 55 1HG2 THR 55 -17.600 9.778 -7.058 418 HG23 THR 55 2HG2 THR 55 -18.083 9.590 -5.372 419 H ASP 56 H ASP 56 -13.690 8.106 -4.745 420 HA ASP 56 HA ASP 56 -14.707 8.979 -2.226 421 HB2 ASP 56 1HB ASP 56 -14.209 6.082 -2.679 422 HB3 ASP 56 2HB ASP 56 -13.647 6.765 -1.156 423 H GLU 57 H GLU 57 -13.163 10.206 -1.386 424 HA GLU 57 HA GLU 57 -10.414 9.853 -2.302 425 HB2 GLU 57 1HB GLU 57 -10.054 12.074 -1.190 426 HB3 GLU 57 2HB GLU 57 -11.223 12.091 -2.503 427 HG2 GLU 57 1HG GLU 57 -12.972 12.534 -1.133 428 HG3 GLU 57 2HG GLU 57 -12.271 11.662 0.229 429 H ILE 58 H ILE 58 -10.461 7.818 -0.909 430 HA ILE 58 HA ILE 58 -9.719 8.494 1.863 431 HB ILE 58 HB ILE 58 -10.597 5.771 0.919 432 HG12 ILE 58 1HG1 ILE 58 -12.438 7.322 0.526 433 HG13 ILE 58 2HG1 ILE 58 -12.803 6.292 1.906 434 HG21 ILE 58 1HG2 ILE 58 -9.610 6.875 3.394 435 HG22 ILE 58 2HG2 ILE 58 -11.206 6.157 3.608 436 HG23 ILE 58 3HG2 ILE 58 -9.887 5.192 2.945 437 HD11 ILE 58 3HD1 ILE 58 -11.556 8.527 2.991 438 HD12 ILE 58 1HD1 ILE 58 -12.632 9.158 1.745 439 HD13 ILE 58 2HD1 ILE 58 -13.276 8.136 3.031 440 H MET 59 H MET 59 -7.571 8.590 2.004 441 HA MET 59 HA MET 59 -5.999 6.471 0.689 442 HB2 MET 59 1HB MET 59 -5.751 8.981 -0.027 443 HB3 MET 59 2HB MET 59 -4.799 9.109 1.446 444 HG2 MET 59 1HG MET 59 -3.428 7.177 0.574 445 HG3 MET 59 2HG MET 59 -4.262 7.400 -0.961 446 HE1 MET 59 3HE MET 59 -4.614 10.489 -1.225 447 HE2 MET 59 1HE MET 59 -3.132 10.950 -2.062 448 HE3 MET 59 2HE MET 59 -3.984 9.477 -2.525 449 HA PRO 60 HA PRO 60 -5.515 6.091 5.302 450 HB2 PRO 60 1HB PRO 60 -5.864 3.399 5.358 451 HB3 PRO 60 2HB PRO 60 -7.208 4.544 5.441 452 HG2 PRO 60 1HG PRO 60 -6.173 3.006 3.091 453 HG3 PRO 60 2HG PRO 60 -7.851 3.299 3.585 454 HD2 PRO 60 1HD PRO 60 -6.646 4.709 1.613 455 HD3 PRO 60 2HD PRO 60 -7.882 5.415 2.673 456 H GLU 61 H GLU 61 -4.263 4.144 2.625 457 HA GLU 61 HA GLU 61 -1.594 4.322 3.754 458 HB2 GLU 61 1HB GLU 61 -3.122 1.766 3.493 459 HB3 GLU 61 2HB GLU 61 -1.390 1.754 3.194 460 HG2 GLU 61 1HG GLU 61 -2.696 2.737 5.720 461 HG3 GLU 61 2HG GLU 61 -1.979 1.142 5.502 462 H ASP 62 H ASP 62 -3.266 5.102 1.324 463 HA ASP 62 HA ASP 62 -1.792 3.781 -0.819 464 HB2 ASP 62 1HB ASP 62 -4.330 5.180 -0.592 465 HB3 ASP 62 2HB ASP 62 -3.383 5.765 -1.957 466 H LYS 63 H LYS 63 -0.984 5.241 -2.616 467 HA LYS 63 HA LYS 63 0.114 7.762 -1.600 468 HB2 LYS 63 1HB LYS 63 1.808 5.964 -1.282 469 HB3 LYS 63 2HB LYS 63 1.771 5.666 -3.015 470 HG2 LYS 63 1HG LYS 63 2.693 7.803 -3.487 471 HG3 LYS 63 2HG LYS 63 2.490 8.328 -1.814 472 HD2 LYS 63 1HD LYS 63 4.173 5.936 -2.448 473 HD3 LYS 63 2HD LYS 63 4.832 7.562 -2.644 474 HE2 LYS 63 1HE LYS 63 3.474 6.771 -0.097 475 HE3 LYS 63 2HE LYS 63 5.151 6.316 -0.390 476 HZ1 LYS 63 3HZ LYS 63 4.070 8.849 0.348 477 HZ2 LYS 63 1HZ LYS 63 5.028 8.970 -1.042 478 HZ3 LYS 63 2HZ LYS 63 5.676 8.317 0.377 479 H THR 64 H THR 64 0.602 9.302 -3.188 480 HA THR 64 HA THR 64 -0.998 9.133 -5.546 481 HB THR 64 HB THR 64 1.055 11.265 -5.355 482 HG1 THR 64 HG1 THR 64 0.514 11.814 -3.393 483 HG21 THR 64 3HG2 THR 64 -1.082 10.945 -6.913 484 HG22 THR 64 1HG2 THR 64 -0.521 12.538 -6.407 485 HG23 THR 64 2HG2 THR 64 -1.864 11.766 -5.563 486 H VAL 65 H VAL 65 -0.446 8.574 -7.562 487 HA VAL 65 HA VAL 65 2.369 7.892 -8.068 488 HB VAL 65 HB VAL 65 0.684 6.067 -8.299 489 HG11 VAL 65 1HG1 VAL 65 -0.237 7.164 -10.887 490 HG12 VAL 65 2HG1 VAL 65 -1.080 6.143 -9.721 491 HG13 VAL 65 3HG1 VAL 65 -0.929 7.876 -9.429 492 HG21 VAL 65 3HG2 VAL 65 1.759 6.531 -11.032 493 HG22 VAL 65 1HG2 VAL 65 2.899 6.436 -9.690 494 HG23 VAL 65 2HG2 VAL 65 1.817 5.084 -10.025 495 H GLY 66 H GLY 66 -0.200 9.979 -9.021 496 HA2 GLY 66 1HA GLY 66 1.415 11.706 -10.494 497 HA3 GLY 66 2HA GLY 66 0.665 10.606 -11.642 498 H PHE 67 H PHE 67 0.289 13.452 -11.465 499 HA PHE 67 HA PHE 67 -2.606 13.491 -10.938 500 HB2 PHE 67 1HB PHE 67 -1.223 14.734 -9.204 501 HB3 PHE 67 2HB PHE 67 -0.796 15.863 -10.486 502 HD1 PHE 67 HD1 PHE 67 -2.771 16.962 -11.750 503 HD2 PHE 67 HD2 PHE 67 -3.119 15.097 -7.939 504 HE1 PHE 67 HE1 PHE 67 -4.833 18.233 -11.320 505 HE2 PHE 67 HE2 PHE 67 -5.182 16.364 -7.504 506 HZ PHE 67 HZ PHE 67 -6.043 17.934 -9.195 507 H VAL 68 H VAL 68 -3.861 14.407 -12.480 508 HA VAL 68 HA VAL 68 -2.490 15.675 -14.761 509 HB VAL 68 HB VAL 68 -4.888 13.840 -14.890 510 HG11 VAL 68 1HG1 VAL 68 -4.989 15.627 -16.552 511 HG12 VAL 68 2HG1 VAL 68 -3.363 15.216 -17.100 512 HG13 VAL 68 3HG1 VAL 68 -4.683 14.066 -17.313 513 HG21 VAL 68 3HG2 VAL 68 -2.014 13.449 -15.711 514 HG22 VAL 68 1HG2 VAL 68 -2.913 12.551 -14.487 515 HG23 VAL 68 2HG2 VAL 68 -3.333 12.381 -16.192 516 H VAL 69 H VAL 69 -3.089 17.712 -15.032 517 HA VAL 69 HA VAL 69 -5.607 18.642 -13.876 518 HB VAL 69 HB VAL 69 -3.416 20.306 -15.116 519 HG11 VAL 69 1HG1 VAL 69 -5.470 21.514 -15.006 520 HG12 VAL 69 2HG1 VAL 69 -5.767 20.970 -13.354 521 HG13 VAL 69 3HG1 VAL 69 -4.445 22.089 -13.691 522 HG21 VAL 69 3HG2 VAL 69 -2.160 19.861 -13.336 523 HG22 VAL 69 1HG2 VAL 69 -3.402 20.598 -12.324 524 HG23 VAL 69 2HG2 VAL 69 -3.434 18.862 -12.637 525 H VAL 70 H VAL 70 -7.326 19.207 -15.057 526 HA VAL 70 HA VAL 70 -7.020 19.861 -17.881 527 HB VAL 70 HB VAL 70 -8.837 17.640 -16.935 528 HG11 VAL 70 1HG1 VAL 70 -8.765 19.270 -19.391 529 HG12 VAL 70 2HG1 VAL 70 -8.942 17.530 -19.622 530 HG13 VAL 70 3HG1 VAL 70 -10.107 18.412 -18.635 531 HG21 VAL 70 3HG2 VAL 70 -6.611 16.813 -17.088 532 HG22 VAL 70 1HG2 VAL 70 -7.460 16.282 -18.540 533 HG23 VAL 70 2HG2 VAL 70 -6.341 17.642 -18.621 534 H ASN 71 H ASN 71 -7.962 21.794 -17.970 535 HA ASN 71 HA ASN 71 -10.650 22.080 -16.811 536 HB2 ASN 71 1HB ASN 71 -8.436 24.142 -16.722 537 HB3 ASN 71 2HB ASN 71 -10.098 24.419 -16.208 538 HD21 ASN 71 1HD2 ASN 71 -7.122 22.744 -15.511 539 HD22 ASN 71 2HD2 ASN 71 -7.492 22.363 -13.867 540 H ALA 72 H ALA 72 -11.994 22.287 -18.472 541 HA ALA 72 HA ALA 72 -11.157 23.294 -21.022 542 HB1 ALA 72 3HB ALA 72 -13.650 22.156 -19.890 543 HB2 ALA 72 1HB ALA 72 -13.791 23.160 -21.334 544 HB3 ALA 72 2HB ALA 72 -12.767 21.724 -21.355 545 H ASP 73 H ASP 73 -12.628 24.632 -18.192 546 HA ASP 73 HA ASP 73 -13.768 26.931 -19.454 547 HB2 ASP 73 1HB ASP 73 -14.185 25.803 -17.066 548 HB3 ASP 73 2HB ASP 73 -13.007 27.018 -16.579 549 H LYS 74 H LYS 74 -10.874 26.444 -17.433 550 HA LYS 74 HA LYS 74 -9.895 29.089 -18.133 551 HB2 LYS 74 1HB LYS 74 -8.751 26.923 -16.362 552 HB3 LYS 74 2HB LYS 74 -8.006 28.497 -16.610 553 HG2 LYS 74 1HG LYS 74 -10.773 28.107 -15.495 554 HG3 LYS 74 2HG LYS 74 -9.321 28.288 -14.508 555 HD2 LYS 74 1HD LYS 74 -8.990 30.444 -15.981 556 HD3 LYS 74 2HD LYS 74 -10.734 30.292 -16.206 557 HE2 LYS 74 1HE LYS 74 -11.031 30.277 -13.769 558 HE3 LYS 74 2HE LYS 74 -9.289 30.458 -13.561 559 HZ1 LYS 74 3HZ LYS 74 -11.083 32.488 -13.730 560 HZ2 LYS 74 1HZ LYS 74 -10.424 32.446 -15.288 561 HZ3 LYS 74 2HZ LYS 74 -9.412 32.633 -13.946 562 H LYS 75 H LYS 75 -9.924 26.238 -19.682 563 HA LYS 75 HA LYS 75 -8.666 25.231 -21.293 564 HB2 LYS 75 1HB LYS 75 -7.594 28.037 -21.647 565 HB3 LYS 75 2HB LYS 75 -7.501 26.740 -22.831 566 HG2 LYS 75 1HG LYS 75 -9.814 26.789 -23.228 567 HG3 LYS 75 2HG LYS 75 -10.124 27.753 -21.782 568 HD2 LYS 75 1HD LYS 75 -9.252 29.698 -22.754 569 HD3 LYS 75 2HD LYS 75 -8.423 28.797 -24.026 570 HE2 LYS 75 1HE LYS 75 -11.416 28.797 -23.782 571 HE3 LYS 75 2HE LYS 75 -10.559 30.070 -24.650 572 HZ1 LYS 75 3HZ LYS 75 -10.811 28.671 -26.370 573 HZ2 LYS 75 1HZ LYS 75 -11.007 27.304 -25.392 574 HZ3 LYS 75 2HZ LYS 75 -9.456 27.894 -25.720 575 H LEU 76 H LEU 76 -7.597 24.666 -18.923 576 HA LEU 76 HA LEU 76 -4.697 24.974 -19.341 577 HB2 LEU 76 1HB LEU 76 -6.257 24.834 -16.772 578 HB3 LEU 76 2HB LEU 76 -4.507 24.641 -16.854 579 HG LEU 76 HG LEU 76 -5.785 27.113 -17.951 580 HD11 LEU 76 1HD1 LEU 76 -5.897 28.167 -15.882 581 HD12 LEU 76 2HD1 LEU 76 -4.931 26.925 -15.086 582 HD13 LEU 76 3HD1 LEU 76 -6.591 26.576 -15.568 583 HD21 LEU 76 3HD2 LEU 76 -3.392 27.583 -16.544 584 HD22 LEU 76 1HD2 LEU 76 -3.653 27.620 -18.288 585 HD23 LEU 76 2HD2 LEU 76 -3.138 26.125 -17.505 586 H MET 77 H MET 77 -3.666 23.143 -19.768 587 HA MET 77 HA MET 77 -4.749 20.625 -18.702 588 HB2 MET 77 1HB MET 77 -3.517 20.825 -21.442 589 HB3 MET 77 2HB MET 77 -4.441 19.494 -20.759 590 HG2 MET 77 1HG MET 77 -6.202 21.607 -20.651 591 HG3 MET 77 2HG MET 77 -5.343 21.864 -22.168 592 HE1 MET 77 3HE MET 77 -8.783 20.486 -21.417 593 HE2 MET 77 1HE MET 77 -8.048 21.761 -22.388 594 HE3 MET 77 2HE MET 77 -8.748 20.346 -23.175 595 H SER 78 H SER 78 -3.299 19.575 -17.525 596 HA SER 78 HA SER 78 -0.471 19.699 -18.269 597 HB2 SER 78 1HB SER 78 -1.152 19.934 -15.366 598 HB3 SER 78 2HB SER 78 0.292 20.471 -16.225 599 HG SER 78 HG SER 78 -1.157 22.183 -15.559 600 H VAL 79 H VAL 79 0.805 17.971 -17.414 601 HA VAL 79 HA VAL 79 -0.689 15.752 -16.212 602 HB VAL 79 HB VAL 79 1.255 14.885 -18.229 603 HG11 VAL 79 1HG1 VAL 79 -0.131 13.297 -17.081 604 HG12 VAL 79 2HG1 VAL 79 -1.594 14.155 -17.569 605 HG13 VAL 79 3HG1 VAL 79 -0.608 13.334 -18.778 606 HG21 VAL 79 3HG2 VAL 79 0.424 16.738 -19.495 607 HG22 VAL 79 1HG2 VAL 79 -0.335 15.273 -20.117 608 HG23 VAL 79 2HG2 VAL 79 -1.242 16.355 -19.060 609 H SER 80 H SER 80 0.410 14.698 -14.668 610 HA SER 80 HA SER 80 3.328 15.004 -14.547 611 HB2 SER 80 1HB SER 80 1.763 15.128 -12.000 612 HB3 SER 80 2HB SER 80 3.353 15.795 -12.371 613 HG SER 80 HG SER 80 2.442 17.519 -13.277 614 H PHE 81 H PHE 81 3.799 12.917 -15.047 615 HA PHE 81 HA PHE 81 2.476 10.773 -13.560 616 HB2 PHE 81 1HB PHE 81 4.052 10.913 -16.092 617 HB3 PHE 81 2HB PHE 81 4.037 9.395 -15.200 618 HD1 PHE 81 HD2 PHE 81 1.424 11.961 -15.920 619 HD2 PHE 81 HD1 PHE 81 2.641 7.893 -16.222 620 HE1 PHE 81 HE2 PHE 81 -0.743 11.391 -16.936 621 HE2 PHE 81 HE1 PHE 81 0.476 7.317 -17.240 622 HZ PHE 81 HZ PHE 81 -1.220 9.067 -17.596 623 H SER 82 H SER 82 3.472 9.559 -12.053 624 HA SER 82 HA SER 82 6.350 10.006 -11.611 625 HB2 SER 82 1HB SER 82 4.602 11.095 -9.959 626 HB3 SER 82 2HB SER 82 4.537 9.464 -9.292 627 HG SER 82 HG SER 82 6.546 11.345 -9.173 628 H ASP 83 H ASP 83 7.556 8.225 -11.392 629 HA ASP 83 HA ASP 83 8.161 6.035 -11.298 630 HB2 ASP 83 1HB ASP 83 5.603 5.374 -9.877 631 HB3 ASP 83 2HB ASP 83 7.214 4.703 -9.634 632 H ILE 84 H ILE 84 7.461 6.412 -13.686 633 HA ILE 84 HA ILE 84 5.594 4.246 -14.375 634 HB ILE 84 HB ILE 84 4.859 5.541 -16.348 635 HG12 ILE 84 1HG1 ILE 84 5.885 8.059 -15.131 636 HG13 ILE 84 2HG1 ILE 84 7.025 7.067 -16.033 637 HG21 ILE 84 1HG2 ILE 84 4.091 5.862 -13.667 638 HG22 ILE 84 2HG2 ILE 84 4.050 7.470 -14.388 639 HG23 ILE 84 3HG2 ILE 84 3.121 6.157 -15.111 640 HD11 ILE 84 3HD1 ILE 84 6.223 7.788 -17.963 641 HD12 ILE 84 1HD1 ILE 84 4.569 7.396 -17.495 642 HD13 ILE 84 2HD1 ILE 84 5.265 8.955 -17.051 643 H ASP 85 H ASP 85 5.847 3.845 -16.899 644 HA ASP 85 HA ASP 85 8.701 3.329 -17.302 645 HB2 ASP 85 1HB ASP 85 6.782 1.550 -17.459 646 HB3 ASP 85 2HB ASP 85 6.549 2.222 -19.070 647 H GLU 86 H GLU 86 9.598 3.565 -19.483 648 HA GLU 86 HA GLU 86 8.977 6.146 -20.555 649 HB2 GLU 86 1HB GLU 86 10.812 5.680 -22.137 650 HB3 GLU 86 2HB GLU 86 11.282 5.392 -20.468 651 HG2 GLU 86 1HG GLU 86 10.896 2.978 -20.814 652 HG3 GLU 86 2HG GLU 86 10.545 3.309 -22.509 653 H ASN 87 H ASN 87 8.563 2.808 -21.640 654 HA ASN 87 HA ASN 87 7.717 3.272 -24.244 655 HB2 ASN 87 1HB ASN 87 7.249 1.095 -22.254 656 HB3 ASN 87 2HB ASN 87 6.282 1.104 -23.726 657 HD21 ASN 87 1HD2 ASN 87 9.667 1.561 -22.754 658 HD22 ASN 87 2HD2 ASN 87 10.337 0.603 -24.027 659 H MET 88 H MET 88 5.726 2.962 -21.305 660 HA MET 88 HA MET 88 3.252 3.443 -22.523 661 HB2 MET 88 1HB MET 88 3.869 2.648 -20.103 662 HB3 MET 88 2HB MET 88 3.805 4.365 -19.727 663 HG2 MET 88 1HG MET 88 1.658 3.853 -19.271 664 HG3 MET 88 2HG MET 88 1.483 4.152 -20.999 665 HE1 MET 88 3HE MET 88 0.296 2.573 -18.461 666 HE2 MET 88 1HE MET 88 -0.818 1.620 -19.443 667 HE3 MET 88 2HE MET 88 0.447 0.816 -18.514 668 H LYS 89 H LYS 89 5.787 5.606 -21.540 669 HA LYS 89 HA LYS 89 4.392 8.006 -21.317 670 HB2 LYS 89 1HB LYS 89 6.932 7.398 -20.965 671 HB3 LYS 89 2HB LYS 89 7.081 7.956 -22.626 672 HG2 LYS 89 1HG LYS 89 6.022 10.099 -21.931 673 HG3 LYS 89 2HG LYS 89 6.086 9.529 -20.262 674 HD2 LYS 89 1HD LYS 89 8.041 10.717 -20.355 675 HD3 LYS 89 2HD LYS 89 8.625 9.129 -20.858 676 HE2 LYS 89 1HE LYS 89 8.152 9.924 -23.246 677 HE3 LYS 89 2HE LYS 89 8.041 11.540 -22.551 678 HZ1 LYS 89 3HZ LYS 89 10.241 11.429 -23.132 679 HZ2 LYS 89 1HZ LYS 89 10.381 9.779 -22.786 680 HZ3 LYS 89 2HZ LYS 89 10.324 10.905 -21.526 681 H LYS 90 H LYS 90 5.380 6.207 -24.144 682 HA LYS 90 HA LYS 90 5.109 8.208 -26.086 683 HB2 LYS 90 1HB LYS 90 6.010 5.760 -26.254 684 HB3 LYS 90 2HB LYS 90 4.341 5.364 -26.644 685 HG2 LYS 90 1HG LYS 90 4.388 6.541 -28.634 686 HG3 LYS 90 2HG LYS 90 5.758 7.533 -28.131 687 HD2 LYS 90 1HD LYS 90 6.089 4.577 -28.434 688 HD3 LYS 90 2HD LYS 90 6.107 5.615 -29.862 689 HE2 LYS 90 1HE LYS 90 7.873 6.985 -28.696 690 HE3 LYS 90 2HE LYS 90 7.952 5.708 -27.483 691 HZ1 LYS 90 3HZ LYS 90 8.586 4.145 -29.188 692 HZ2 LYS 90 1HZ LYS 90 9.647 5.463 -29.210 693 HZ3 LYS 90 2HZ LYS 90 8.441 5.329 -30.388 694 H VAL 91 H VAL 91 2.747 5.730 -25.082 695 HA VAL 91 HA VAL 91 0.619 6.734 -26.634 696 HB VAL 91 HB VAL 91 0.443 5.123 -24.084 697 HG11 VAL 91 1HG1 VAL 91 -1.733 4.441 -24.866 698 HG12 VAL 91 2HG1 VAL 91 -1.667 6.203 -24.803 699 HG13 VAL 91 3HG1 VAL 91 -1.530 5.369 -26.351 700 HG21 VAL 91 3HG2 VAL 91 1.746 3.790 -25.455 701 HG22 VAL 91 1HG2 VAL 91 0.115 3.250 -25.856 702 HG23 VAL 91 2HG2 VAL 91 0.965 4.362 -26.929 703 H ILE 92 H ILE 92 1.370 7.131 -23.176 704 HA ILE 92 HA ILE 92 -0.786 8.734 -22.473 705 HB ILE 92 HB ILE 92 2.026 8.849 -21.378 706 HG12 ILE 92 1HG1 ILE 92 -0.267 7.476 -20.034 707 HG13 ILE 92 2HG1 ILE 92 0.554 6.658 -21.360 708 HG21 ILE 92 1HG2 ILE 92 0.987 9.811 -19.373 709 HG22 ILE 92 2HG2 ILE 92 0.768 10.840 -20.788 710 HG23 ILE 92 3HG2 ILE 92 -0.567 9.846 -20.206 711 HD11 ILE 92 3HD1 ILE 92 1.322 6.199 -18.958 712 HD12 ILE 92 1HD1 ILE 92 2.548 6.502 -20.189 713 HD13 ILE 92 2HD1 ILE 92 2.098 7.779 -19.059 714 H LYS 93 H LYS 93 2.446 9.736 -23.577 715 HA LYS 93 HA LYS 93 2.015 12.496 -23.496 716 HB2 LYS 93 1HB LYS 93 4.235 11.461 -23.764 717 HB3 LYS 93 2HB LYS 93 3.791 10.935 -25.382 718 HG2 LYS 93 1HG LYS 93 4.936 12.820 -25.908 719 HG3 LYS 93 2HG LYS 93 3.328 13.519 -25.703 720 HD2 LYS 93 1HD LYS 93 4.622 14.953 -24.441 721 HD3 LYS 93 2HD LYS 93 4.078 13.802 -23.219 722 HE2 LYS 93 1HE LYS 93 6.412 14.153 -22.888 723 HE3 LYS 93 2HE LYS 93 6.211 12.544 -23.580 724 HZ1 LYS 93 3HZ LYS 93 6.635 14.730 -25.458 725 HZ2 LYS 93 1HZ LYS 93 7.217 13.141 -25.495 726 HZ3 LYS 93 2HZ LYS 93 7.961 14.291 -24.503 727 H ALA 94 H ALA 94 1.639 10.221 -26.205 728 HA ALA 94 HA ALA 94 0.859 12.012 -28.170 729 HB1 ALA 94 3HB ALA 94 0.468 9.118 -27.705 730 HB2 ALA 94 1HB ALA 94 -0.585 9.885 -28.894 731 HB3 ALA 94 2HB ALA 94 1.167 9.963 -29.086 732 H THR 95 H THR 95 -1.193 10.251 -25.858 733 HA THR 95 HA THR 95 -3.660 11.227 -26.733 734 HB THR 95 HB THR 95 -3.144 10.695 -23.824 735 HG1 THR 95 HG1 THR 95 -2.243 8.879 -24.505 736 HG21 THR 95 3HG2 THR 95 -5.431 10.344 -25.736 737 HG22 THR 95 1HG2 THR 95 -5.391 11.215 -24.204 738 HG23 THR 95 2HG2 THR 95 -5.371 9.451 -24.216 739 H ALA 96 H ALA 96 -1.629 12.403 -24.046 740 HA ALA 96 HA ALA 96 -3.218 14.608 -23.376 741 HB1 ALA 96 3HB ALA 96 -0.227 14.476 -23.070 742 HB2 ALA 96 1HB ALA 96 -1.379 15.385 -22.091 743 HB3 ALA 96 2HB ALA 96 -1.350 13.623 -22.012 744 H GLU 97 H GLU 97 -0.938 14.126 -25.946 745 HA GLU 97 HA GLU 97 -0.520 16.899 -26.522 746 HB2 GLU 97 1HB GLU 97 0.915 14.799 -27.167 747 HB3 GLU 97 2HB GLU 97 -0.150 14.741 -28.565 748 HG2 GLU 97 1HG GLU 97 0.503 17.274 -28.766 749 HG3 GLU 97 2HG GLU 97 1.901 16.761 -27.823 750 H LYS 98 H LYS 98 -2.611 14.355 -27.811 751 HA LYS 98 HA LYS 98 -3.693 15.712 -29.981 752 HB2 LYS 98 1HB LYS 98 -4.089 13.262 -28.811 753 HB3 LYS 98 2HB LYS 98 -5.621 14.066 -28.499 754 HG2 LYS 98 1HG LYS 98 -5.788 12.838 -30.546 755 HG3 LYS 98 2HG LYS 98 -5.803 14.564 -30.917 756 HD2 LYS 98 1HD LYS 98 -4.250 13.987 -32.447 757 HD3 LYS 98 2HD LYS 98 -3.153 14.047 -31.065 758 HE2 LYS 98 1HE LYS 98 -2.780 11.995 -32.251 759 HE3 LYS 98 2HE LYS 98 -3.555 11.622 -30.713 760 HZ1 LYS 98 3HZ LYS 98 -4.819 10.369 -32.100 761 HZ2 LYS 98 1HZ LYS 98 -4.610 11.394 -33.430 762 HZ3 LYS 98 2HZ LYS 98 -5.698 11.811 -32.203 763 H PHE 99 H PHE 99 -4.342 16.037 -26.576 764 HA PHE 99 HA PHE 99 -6.827 17.294 -26.637 765 HB2 PHE 99 1HB PHE 99 -4.535 17.241 -24.744 766 HB3 PHE 99 2HB PHE 99 -5.725 18.520 -24.526 767 HD1 PHE 99 HD2 PHE 99 -5.122 14.917 -24.406 768 HD2 PHE 99 HD1 PHE 99 -7.979 18.020 -23.830 769 HE1 PHE 99 HE2 PHE 99 -6.586 13.343 -23.208 770 HE2 PHE 99 HE1 PHE 99 -9.446 16.451 -22.630 771 HZ PHE 99 HZ PHE 99 -8.751 14.109 -22.319 772 H LYS 100 H LYS 100 -3.717 18.448 -27.576 773 HA LYS 100 HA LYS 100 -3.912 21.179 -27.268 774 HB2 LYS 100 1HB LYS 100 -1.952 19.872 -28.177 775 HB3 LYS 100 2HB LYS 100 -2.787 19.829 -29.724 776 HG2 LYS 100 1HG LYS 100 -2.858 22.403 -29.486 777 HG3 LYS 100 2HG LYS 100 -1.579 22.158 -28.295 778 HD2 LYS 100 1HD LYS 100 -0.495 22.557 -30.362 779 HD3 LYS 100 2HD LYS 100 -0.361 20.823 -30.061 780 HE2 LYS 100 1HE LYS 100 -2.073 20.331 -31.626 781 HE3 LYS 100 2HE LYS 100 -2.546 22.025 -31.745 782 HZ1 LYS 100 3HZ LYS 100 -1.100 20.987 -33.590 783 HZ2 LYS 100 1HZ LYS 100 0.177 21.202 -32.501 784 HZ3 LYS 100 2HZ LYS 100 -0.719 22.536 -33.027 785 H ASN 101 H ASN 101 -5.545 19.110 -29.554 786 HA ASN 101 HA ASN 101 -6.345 20.898 -31.496 787 HB2 ASN 101 1HB ASN 101 -7.674 18.475 -30.312 788 HB3 ASN 101 2HB ASN 101 -8.475 19.416 -31.567 789 HD21 ASN 101 1HD2 ASN 101 -7.725 16.730 -31.830 790 HD22 ASN 101 2HD2 ASN 101 -6.519 16.623 -33.062 791 H LYS 102 H LYS 102 -7.746 20.330 -28.304 792 HA LYS 102 HA LYS 102 -9.321 22.795 -28.645 793 HB2 LYS 102 1HB LYS 102 -10.155 20.128 -27.573 794 HB3 LYS 102 2HB LYS 102 -10.896 21.584 -26.921 795 HG2 LYS 102 1HG LYS 102 -12.376 21.127 -28.578 796 HG3 LYS 102 2HG LYS 102 -11.237 22.123 -29.488 797 HD2 LYS 102 1HD LYS 102 -10.058 19.889 -30.018 798 HD3 LYS 102 2HD LYS 102 -11.572 19.143 -29.502 799 HE2 LYS 102 1HE LYS 102 -11.742 19.390 -31.841 800 HE3 LYS 102 2HE LYS 102 -12.730 20.677 -31.151 801 HZ1 LYS 102 3HZ LYS 102 -10.419 21.942 -31.380 802 HZ2 LYS 102 1HZ LYS 102 -11.567 21.905 -32.622 803 HZ3 LYS 102 2HZ LYS 102 -10.247 20.848 -32.659 804 H GLY 103 H GLY 103 -6.656 22.241 -27.436 805 HA2 GLY 103 1HA GLY 103 -7.090 23.736 -25.004 806 HA3 GLY 103 2HA GLY 103 -6.501 22.102 -24.735 807 H PHE 104 H PHE 104 -5.761 25.201 -26.231 808 HA PHE 104 HA PHE 104 -3.249 24.707 -27.253 809 HB2 PHE 104 1HB PHE 104 -4.567 27.126 -26.098 810 HB3 PHE 104 2HB PHE 104 -2.843 27.195 -26.446 811 HD1 PHE 104 HD1 PHE 104 -2.182 26.315 -28.848 812 HD2 PHE 104 HD2 PHE 104 -6.036 27.748 -27.746 813 HE1 PHE 104 HE1 PHE 104 -2.676 26.793 -31.210 814 HE2 PHE 104 HE2 PHE 104 -6.536 28.227 -30.107 815 HZ PHE 104 HZ PHE 104 -4.856 27.749 -31.843 816 H LYS 105 H LYS 105 -4.059 25.752 -23.949 817 HA LYS 105 HA LYS 105 -1.374 25.625 -23.014 818 HB2 LYS 105 1HB LYS 105 -3.529 26.840 -22.056 819 HB3 LYS 105 2HB LYS 105 -3.674 25.349 -21.134 820 HG2 LYS 105 1HG LYS 105 -1.111 26.897 -21.182 821 HG3 LYS 105 2HG LYS 105 -2.424 27.321 -20.081 822 HD2 LYS 105 1HD LYS 105 -2.375 25.074 -19.137 823 HD3 LYS 105 2HD LYS 105 -1.097 24.615 -20.265 824 HE2 LYS 105 1HE LYS 105 -0.911 26.734 -18.126 825 HE3 LYS 105 2HE LYS 105 -0.180 25.131 -18.067 826 HZ1 LYS 105 3HZ LYS 105 1.589 26.215 -18.887 827 HZ2 LYS 105 1HZ LYS 105 0.675 27.502 -19.495 828 HZ3 LYS 105 2HZ LYS 105 0.793 26.061 -20.371 829 H VAL 106 H VAL 106 -0.584 23.579 -23.583 830 HA VAL 106 HA VAL 106 -1.583 21.396 -21.878 831 HB VAL 106 HB VAL 106 -2.312 20.912 -24.138 832 HG11 VAL 106 1HG1 VAL 106 0.569 20.973 -25.005 833 HG12 VAL 106 2HG1 VAL 106 -0.868 20.796 -26.014 834 HG13 VAL 106 3HG1 VAL 106 -0.532 22.334 -25.219 835 HG21 VAL 106 3HG2 VAL 106 -1.883 18.766 -23.752 836 HG22 VAL 106 1HG2 VAL 106 -0.203 18.980 -24.246 837 HG23 VAL 106 2HG2 VAL 106 -0.670 19.251 -22.567 838 H GLU 107 H GLU 107 -0.075 20.590 -20.581 839 HA GLU 107 HA GLU 107 2.737 20.696 -21.426 840 HB2 GLU 107 1HB GLU 107 3.391 21.324 -19.126 841 HB3 GLU 107 2HB GLU 107 2.425 22.563 -19.914 842 HG2 GLU 107 1HG GLU 107 0.429 21.499 -18.715 843 HG3 GLU 107 2HG GLU 107 1.637 20.685 -17.721 844 H THR 108 H THR 108 3.534 18.713 -21.448 845 HA THR 108 HA THR 108 2.423 16.719 -19.587 846 HB THR 108 HB THR 108 3.189 14.997 -21.149 847 HG1 THR 108 HG1 THR 108 4.360 17.215 -22.384 848 HG21 THR 108 3HG2 THR 108 1.012 15.461 -21.684 849 HG22 THR 108 1HG2 THR 108 1.783 15.903 -23.206 850 HG23 THR 108 2HG2 THR 108 1.346 17.155 -22.043 851 H ASP 109 H ASP 109 3.684 16.255 -17.919 852 HA ASP 109 HA ASP 109 6.391 17.039 -17.723 853 HB2 ASP 109 1HB ASP 109 4.837 16.711 -15.788 854 HB3 ASP 109 2HB ASP 109 4.960 14.972 -16.043 855 H MET 110 H MET 110 7.782 16.194 -19.181 856 HA MET 110 HA MET 110 7.710 13.445 -19.980 857 HB2 MET 110 1HB MET 110 8.519 15.342 -21.418 858 HB3 MET 110 2HB MET 110 9.945 15.435 -20.393 859 HG2 MET 110 1HG MET 110 10.293 12.969 -20.970 860 HG3 MET 110 2HG MET 110 9.117 13.241 -22.253 861 HE1 MET 110 3HE MET 110 12.856 12.707 -22.655 862 HE2 MET 110 1HE MET 110 13.430 14.226 -21.966 863 HE3 MET 110 2HE MET 110 12.376 13.174 -21.022 Start of MODEL 7 1 H MET 1 H MET 1 -0.044 0.740 0.992 2 HA MET 1 HA MET 1 1.426 1.419 -0.634 3 HB2 MET 1 1HB MET 1 2.887 -0.356 -1.394 4 HB3 MET 1 2HB MET 1 2.446 -0.640 0.285 5 HG2 MET 1 1HG MET 1 0.815 -2.300 -0.401 6 HG3 MET 1 2HG MET 1 1.193 -1.990 -2.094 7 HE1 MET 1 3HE MET 1 2.035 -5.140 0.119 8 HE2 MET 1 1HE MET 1 3.278 -4.323 1.067 9 HE3 MET 1 2HE MET 1 1.656 -3.638 0.963 10 H THR 2 H THR 2 -1.321 1.205 -1.551 11 HA THR 2 HA THR 2 -1.096 0.203 -4.279 12 HB THR 2 HB THR 2 -3.512 1.575 -3.118 13 HG1 THR 2 HG1 THR 2 -3.955 -0.162 -1.978 14 HG21 THR 2 3HG2 THR 2 -4.534 -0.259 -4.693 15 HG22 THR 2 1HG2 THR 2 -2.936 -0.216 -5.437 16 HG23 THR 2 2HG2 THR 2 -3.915 1.249 -5.364 17 H LEU 3 H LEU 3 -0.181 1.509 -5.722 18 HA LEU 3 HA LEU 3 -0.086 4.351 -5.401 19 HB2 LEU 3 1HB LEU 3 0.948 2.361 -7.321 20 HB3 LEU 3 2HB LEU 3 0.701 3.990 -7.947 21 HG LEU 3 HG LEU 3 2.172 4.839 -6.118 22 HD11 LEU 3 1HD1 LEU 3 2.817 1.925 -5.700 23 HD12 LEU 3 2HD1 LEU 3 1.849 2.908 -4.602 24 HD13 LEU 3 3HD1 LEU 3 3.545 3.306 -4.877 25 HD21 LEU 3 3HD2 LEU 3 2.894 3.356 -8.476 26 HD22 LEU 3 1HD2 LEU 3 4.151 3.217 -7.246 27 HD23 LEU 3 2HD2 LEU 3 3.627 4.810 -7.795 28 H CYS 4 H CYS 4 -1.216 5.926 -6.453 29 HA CYS 4 HA CYS 4 -3.212 5.138 -8.440 30 HB2 CYS 4 1HB CYS 4 -3.836 6.701 -5.927 31 HB3 CYS 4 2HB CYS 4 -4.941 6.509 -7.283 32 HG CYS 4 HG CYS 4 -5.929 4.249 -6.561 33 H ALA 5 H ALA 5 -4.223 7.079 -9.484 34 HA ALA 5 HA ALA 5 -2.347 9.350 -9.539 35 HB1 ALA 5 3HB ALA 5 -1.989 9.143 -11.731 36 HB2 ALA 5 1HB ALA 5 -2.679 7.526 -11.578 37 HB3 ALA 5 2HB ALA 5 -3.700 8.879 -12.068 38 H MET 6 H MET 6 -3.222 11.389 -9.824 39 HA MET 6 HA MET 6 -6.105 11.562 -9.343 40 HB2 MET 6 1HB MET 6 -3.826 13.483 -8.924 41 HB3 MET 6 2HB MET 6 -5.502 14.010 -8.858 42 HG2 MET 6 1HG MET 6 -4.628 11.699 -7.194 43 HG3 MET 6 2HG MET 6 -4.235 13.340 -6.686 44 HE1 MET 6 3HE MET 6 -6.360 10.577 -6.203 45 HE2 MET 6 1HE MET 6 -6.106 11.501 -4.722 46 HE3 MET 6 2HE MET 6 -7.740 11.253 -5.337 47 H TYR 7 H TYR 7 -7.492 12.661 -10.668 48 HA TYR 7 HA TYR 7 -6.380 13.907 -13.083 49 HB2 TYR 7 1HB TYR 7 -7.285 11.457 -13.339 50 HB3 TYR 7 2HB TYR 7 -8.861 12.241 -13.293 51 HD1 TYR 7 HD2 TYR 7 -8.701 14.578 -14.843 52 HD2 TYR 7 HD1 TYR 7 -6.662 10.898 -15.481 53 HE1 TYR 7 HE2 TYR 7 -8.513 15.104 -17.238 54 HE2 TYR 7 HE1 TYR 7 -6.467 11.415 -17.877 55 HH TYR 7 HH TYR 7 -6.745 12.981 -19.452 56 H ASN 8 H ASN 8 -6.945 15.975 -12.817 57 HA ASN 8 HA ASN 8 -9.568 16.636 -11.716 58 HB2 ASN 8 1HB ASN 8 -7.777 17.875 -10.730 59 HB3 ASN 8 2HB ASN 8 -7.118 18.300 -12.306 60 HD21 ASN 8 1HD2 ASN 8 -7.977 19.988 -13.436 61 HD22 ASN 8 2HD2 ASN 8 -9.158 21.067 -12.780 62 H ILE 9 H ILE 9 -11.048 16.330 -13.317 63 HA ILE 9 HA ILE 9 -10.573 17.631 -15.906 64 HB ILE 9 HB ILE 9 -11.196 15.261 -16.006 65 HG12 ILE 9 1HG1 ILE 9 -13.354 17.130 -17.011 66 HG13 ILE 9 2HG1 ILE 9 -11.852 16.743 -17.843 67 HG21 ILE 9 1HG2 ILE 9 -13.825 16.091 -14.789 68 HG22 ILE 9 2HG2 ILE 9 -13.340 14.467 -15.275 69 HG23 ILE 9 3HG2 ILE 9 -12.539 15.256 -13.917 70 HD11 ILE 9 3HD1 ILE 9 -12.862 15.051 -18.834 71 HD12 ILE 9 1HD1 ILE 9 -13.145 14.303 -17.263 72 HD13 ILE 9 2HD1 ILE 9 -14.347 15.398 -17.947 73 H SER 10 H SER 10 -11.654 19.405 -16.479 74 HA SER 10 HA SER 10 -14.110 20.104 -15.023 75 HB2 SER 10 1HB SER 10 -12.374 21.428 -13.992 76 HB3 SER 10 2HB SER 10 -11.761 21.933 -15.567 77 HG SER 10 HG SER 10 -13.150 23.481 -14.469 78 H MET 11 H MET 11 -15.449 19.625 -16.724 79 HA MET 11 HA MET 11 -15.014 20.211 -19.414 80 HB2 MET 11 1HB MET 11 -16.890 18.822 -18.179 81 HB3 MET 11 2HB MET 11 -17.785 20.331 -18.301 82 HG2 MET 11 1HG MET 11 -16.475 19.315 -20.754 83 HG3 MET 11 2HG MET 11 -17.893 18.452 -20.163 84 HE1 MET 11 3HE MET 11 -18.725 20.702 -23.275 85 HE2 MET 11 1HE MET 11 -17.181 21.400 -22.785 86 HE3 MET 11 2HE MET 11 -17.391 19.649 -22.802 87 H ALA 12 H ALA 12 -15.720 21.887 -20.762 88 HA ALA 12 HA ALA 12 -15.344 24.477 -19.893 89 HB1 ALA 12 3HB ALA 12 -16.538 23.249 -22.307 90 HB2 ALA 12 1HB ALA 12 -16.865 24.960 -22.029 91 HB3 ALA 12 2HB ALA 12 -15.201 24.389 -22.154 92 H GLY 13 H GLY 13 -16.490 25.789 -18.639 93 HA2 GLY 13 1HA GLY 13 -18.305 26.877 -17.720 94 HA3 GLY 13 2HA GLY 13 -19.329 26.051 -18.884 95 H SER 14 H SER 14 -17.220 24.872 -16.268 96 HA SER 14 HA SER 14 -19.461 24.015 -14.685 97 HB2 SER 14 1HB SER 14 -17.860 22.040 -16.289 98 HB3 SER 14 2HB SER 14 -18.585 21.569 -14.752 99 HG SER 14 HG SER 14 -20.492 21.582 -15.650 100 H HIS 15 H HIS 15 -18.517 22.436 -12.879 101 HA HIS 15 HA HIS 15 -16.279 23.900 -11.725 102 HB2 HIS 15 1HB HIS 15 -18.438 22.141 -10.671 103 HB3 HIS 15 2HB HIS 15 -16.929 22.209 -9.765 104 HD1 HIS 15 HD1 HIS 15 -18.739 25.068 -11.489 105 HD2 HIS 15 HD2 HIS 15 -17.585 23.839 -7.692 106 HE1 HIS 15 HE1 HIS 15 -19.318 26.978 -9.959 107 HA PRO 16 HA PRO 16 -13.208 20.819 -12.279 108 HB2 PRO 16 1HB PRO 16 -11.881 20.873 -9.911 109 HB3 PRO 16 2HB PRO 16 -11.769 22.172 -11.105 110 HG2 PRO 16 1HG PRO 16 -13.439 22.018 -8.626 111 HG3 PRO 16 2HG PRO 16 -12.499 23.381 -9.258 112 HD2 PRO 16 1HD PRO 16 -15.180 23.188 -9.579 113 HD3 PRO 16 2HD PRO 16 -14.128 23.962 -10.782 114 H THR 17 H THR 17 -13.303 18.667 -12.280 115 HA THR 17 HA THR 17 -14.608 17.317 -10.012 116 HB THR 17 HB THR 17 -14.355 16.416 -12.887 117 HG1 THR 17 HG1 THR 17 -16.246 17.329 -13.091 118 HG21 THR 17 3HG2 THR 17 -14.521 14.351 -12.022 119 HG22 THR 17 1HG2 THR 17 -16.195 14.781 -11.673 120 HG23 THR 17 2HG2 THR 17 -14.960 14.958 -10.426 121 H THR 18 H THR 18 -13.310 16.213 -8.716 122 HA THR 18 HA THR 18 -10.628 15.506 -9.591 123 HB THR 18 HB THR 18 -11.889 15.116 -6.870 124 HG1 THR 18 HG1 THR 18 -11.783 17.330 -7.425 125 HG21 THR 18 3HG2 THR 18 -9.996 14.090 -6.306 126 HG22 THR 18 1HG2 THR 18 -9.062 15.492 -6.827 127 HG23 THR 18 2HG2 THR 18 -9.442 14.209 -7.976 128 H ILE 19 H ILE 19 -10.493 13.677 -10.736 129 HA ILE 19 HA ILE 19 -12.054 11.345 -9.852 130 HB ILE 19 HB ILE 19 -10.643 11.616 -12.499 131 HG12 ILE 19 1HG1 ILE 19 -13.517 12.300 -11.839 132 HG13 ILE 19 2HG1 ILE 19 -12.260 13.453 -12.277 133 HG21 ILE 19 1HG2 ILE 19 -13.053 9.944 -11.905 134 HG22 ILE 19 2HG2 ILE 19 -11.839 9.744 -13.168 135 HG23 ILE 19 3HG2 ILE 19 -11.437 9.373 -11.492 136 HD11 ILE 19 3HD1 ILE 19 -12.124 12.550 -14.488 137 HD12 ILE 19 1HD1 ILE 19 -13.229 11.241 -14.068 138 HD13 ILE 19 2HD1 ILE 19 -13.812 12.905 -14.121 139 H CYS 20 H CYS 20 -11.033 9.710 -8.909 140 HA CYS 20 HA CYS 20 -8.100 9.630 -9.042 141 HB2 CYS 20 1HB CYS 20 -8.267 8.216 -6.998 142 HB3 CYS 20 2HB CYS 20 -8.946 9.825 -6.788 143 HG CYS 20 HG CYS 20 -11.587 9.027 -6.915 144 H VAL 21 H VAL 21 -7.121 8.063 -10.134 145 HA VAL 21 HA VAL 21 -8.617 5.586 -10.693 146 HB VAL 21 HB VAL 21 -6.742 6.975 -12.613 147 HG11 VAL 21 1HG1 VAL 21 -7.307 5.287 -14.185 148 HG12 VAL 21 2HG1 VAL 21 -6.857 4.461 -12.691 149 HG13 VAL 21 3HG1 VAL 21 -8.557 4.630 -13.129 150 HG21 VAL 21 3HG2 VAL 21 -9.418 6.691 -13.584 151 HG22 VAL 21 1HG2 VAL 21 -9.441 7.537 -12.037 152 HG23 VAL 21 2HG2 VAL 21 -8.464 8.158 -13.368 153 H VAL 22 H VAL 22 -7.531 3.702 -10.442 154 HA VAL 22 HA VAL 22 -5.291 3.534 -8.829 155 HB VAL 22 HB VAL 22 -5.056 1.176 -9.746 156 HG11 VAL 22 1HG1 VAL 22 -6.541 2.018 -7.805 157 HG12 VAL 22 2HG1 VAL 22 -7.880 1.731 -8.918 158 HG13 VAL 22 3HG1 VAL 22 -6.819 0.401 -8.450 159 HG21 VAL 22 3HG2 VAL 22 -6.381 0.384 -11.418 160 HG22 VAL 22 1HG2 VAL 22 -7.692 1.508 -11.062 161 HG23 VAL 22 2HG2 VAL 22 -6.269 2.064 -11.942 162 H MET 23 H MET 23 -3.125 2.800 -9.277 163 HA MET 23 HA MET 23 -1.926 4.228 -11.440 164 HB2 MET 23 1HB MET 23 -0.782 4.018 -9.300 165 HB3 MET 23 2HB MET 23 -0.742 2.268 -9.466 166 HG2 MET 23 1HG MET 23 0.471 3.746 -11.689 167 HG3 MET 23 2HG MET 23 1.282 3.934 -10.136 168 HE1 MET 23 3HE MET 23 3.574 2.439 -10.264 169 HE2 MET 23 1HE MET 23 3.658 1.375 -11.668 170 HE3 MET 23 2HE MET 23 3.140 3.049 -11.861 171 H ASP 24 H ASP 24 -3.343 1.190 -11.208 172 HA ASP 24 HA ASP 24 -1.677 -0.005 -13.289 173 HB2 ASP 24 1HB ASP 24 -3.938 -1.091 -11.606 174 HB3 ASP 24 2HB ASP 24 -3.196 -2.000 -12.920 175 H ARG 25 H ARG 25 -4.570 1.755 -12.946 176 HA ARG 25 HA ARG 25 -5.330 1.071 -15.709 177 HB2 ARG 25 1HB ARG 25 -6.903 0.303 -13.810 178 HB3 ARG 25 2HB ARG 25 -7.311 2.006 -13.649 179 HG2 ARG 25 1HG ARG 25 -8.943 0.903 -15.030 180 HG3 ARG 25 2HG ARG 25 -8.011 2.037 -16.009 181 HD2 ARG 25 1HD ARG 25 -8.396 -0.137 -17.129 182 HD3 ARG 25 2HD ARG 25 -6.687 0.244 -16.915 183 HE ARG 25 HE ARG 25 -7.713 -1.338 -14.774 184 HH11 ARG 25 1HH1 ARG 25 -6.531 -1.470 -18.046 185 HH12 ARG 25 2HH1 ARG 25 -6.003 -3.116 -17.927 186 HH21 ARG 25 1HH2 ARG 25 -7.022 -3.505 -14.605 187 HH22 ARG 25 2HH2 ARG 25 -6.284 -4.273 -15.970 188 H PHE 26 H PHE 26 -3.828 3.324 -14.072 189 HA PHE 26 HA PHE 26 -5.157 5.735 -14.389 190 HB2 PHE 26 1HB PHE 26 -3.050 6.801 -14.158 191 HB3 PHE 26 2HB PHE 26 -2.932 5.310 -13.230 192 HD1 PHE 26 HD2 PHE 26 -2.007 3.250 -14.619 193 HD2 PHE 26 HD1 PHE 26 -1.315 7.345 -15.551 194 HE1 PHE 26 HE2 PHE 26 0.003 2.618 -15.890 195 HE2 PHE 26 HE1 PHE 26 0.695 6.719 -16.825 196 HZ PHE 26 HZ PHE 26 1.357 4.353 -16.995 197 H LEU 27 H LEU 27 -3.326 3.857 -16.734 198 HA LEU 27 HA LEU 27 -3.290 5.825 -18.774 199 HB2 LEU 27 1HB LEU 27 -1.753 3.926 -18.733 200 HB3 LEU 27 2HB LEU 27 -3.105 2.822 -18.976 201 HG LEU 27 HG LEU 27 -3.397 3.505 -21.209 202 HD11 LEU 27 1HD1 LEU 27 -1.740 5.870 -20.423 203 HD12 LEU 27 2HD1 LEU 27 -3.328 5.824 -21.188 204 HD13 LEU 27 3HD1 LEU 27 -1.890 5.390 -22.113 205 HD21 LEU 27 3HD2 LEU 27 -0.477 3.730 -21.318 206 HD22 LEU 27 1HD2 LEU 27 -1.557 2.548 -22.059 207 HD23 LEU 27 2HD2 LEU 27 -1.072 2.365 -20.373 208 H GLU 28 H GLU 28 -5.336 2.946 -18.298 209 HA GLU 28 HA GLU 28 -6.985 3.229 -20.498 210 HB2 GLU 28 1HB GLU 28 -6.867 1.455 -18.495 211 HB3 GLU 28 2HB GLU 28 -8.262 2.377 -17.954 212 HG2 GLU 28 1HG GLU 28 -9.410 0.941 -19.223 213 HG3 GLU 28 2HG GLU 28 -8.900 1.984 -20.550 214 H SER 29 H SER 29 -7.305 4.698 -17.290 215 HA SER 29 HA SER 29 -9.781 5.960 -17.741 216 HB2 SER 29 1HB SER 29 -9.245 7.320 -15.784 217 HB3 SER 29 2HB SER 29 -8.788 5.641 -15.494 218 HG SER 29 HG SER 29 -7.228 7.882 -15.614 219 H PHE 30 H PHE 30 -6.451 7.160 -18.056 220 HA PHE 30 HA PHE 30 -7.076 9.774 -18.830 221 HB2 PHE 30 1HB PHE 30 -4.806 8.874 -18.158 222 HB3 PHE 30 2HB PHE 30 -4.675 8.211 -19.784 223 HD1 PHE 30 HD2 PHE 30 -5.018 9.911 -21.728 224 HD2 PHE 30 HD1 PHE 30 -4.023 10.998 -17.734 225 HE1 PHE 30 HE2 PHE 30 -4.141 12.063 -22.535 226 HE2 PHE 30 HE1 PHE 30 -3.146 13.152 -18.536 227 HZ PHE 30 HZ PHE 30 -3.203 13.687 -20.939 228 H SER 31 H SER 31 -6.606 6.844 -20.759 229 HA SER 31 HA SER 31 -6.768 8.036 -23.293 230 HB2 SER 31 1HB SER 31 -6.089 5.618 -22.624 231 HB3 SER 31 2HB SER 31 -7.813 5.269 -22.752 232 HG SER 31 HG SER 31 -6.118 5.273 -24.699 233 H GLU 32 H GLU 32 -9.297 6.428 -21.366 234 HA GLU 32 HA GLU 32 -11.412 6.898 -23.142 235 HB2 GLU 32 1HB GLU 32 -11.500 6.626 -20.132 236 HB3 GLU 32 2HB GLU 32 -12.884 6.489 -21.207 237 HG2 GLU 32 1HG GLU 32 -10.563 4.716 -21.713 238 HG3 GLU 32 2HG GLU 32 -11.577 4.374 -20.312 239 H LEU 33 H LEU 33 -10.018 8.888 -20.608 240 HA LEU 33 HA LEU 33 -12.044 10.843 -20.492 241 HB2 LEU 33 1HB LEU 33 -10.010 10.406 -18.940 242 HB3 LEU 33 2HB LEU 33 -9.155 11.480 -20.045 243 HG LEU 33 HG LEU 33 -9.963 12.627 -18.020 244 HD11 LEU 33 1HD1 LEU 33 -9.902 13.577 -20.503 245 HD12 LEU 33 2HD1 LEU 33 -10.437 14.547 -19.131 246 HD13 LEU 33 3HD1 LEU 33 -11.625 13.779 -20.183 247 HD21 LEU 33 3HD2 LEU 33 -12.732 12.828 -18.741 248 HD22 LEU 33 1HD2 LEU 33 -12.008 12.319 -17.216 249 HD23 LEU 33 2HD2 LEU 33 -12.294 11.137 -18.493 250 H TYR 34 H TYR 34 -9.072 10.627 -22.411 251 HA TYR 34 HA TYR 34 -9.184 13.131 -23.629 252 HB2 TYR 34 1HB TYR 34 -7.183 11.965 -23.945 253 HB3 TYR 34 2HB TYR 34 -8.006 10.493 -24.448 254 HD1 TYR 34 HD1 TYR 34 -7.790 14.056 -25.580 255 HD2 TYR 34 HD2 TYR 34 -7.789 9.943 -26.670 256 HE1 TYR 34 HE1 TYR 34 -7.462 14.686 -27.935 257 HE2 TYR 34 HE2 TYR 34 -7.460 10.562 -29.027 258 HH TYR 34 HH TYR 34 -7.333 12.229 -30.493 259 H ASP 35 H ASP 35 -11.129 10.339 -24.108 260 HA ASP 35 HA ASP 35 -12.085 11.194 -26.716 261 HB2 ASP 35 1HB ASP 35 -12.104 8.740 -25.194 262 HB3 ASP 35 2HB ASP 35 -13.728 9.128 -25.754 263 H ILE 36 H ILE 36 -13.644 10.435 -23.596 264 HA ILE 36 HA ILE 36 -16.127 11.534 -24.154 265 HB ILE 36 HB ILE 36 -15.655 10.143 -22.172 266 HG12 ILE 36 1HG1 ILE 36 -16.764 12.808 -21.295 267 HG13 ILE 36 2HG1 ILE 36 -17.645 11.729 -22.372 268 HG21 ILE 36 1HG2 ILE 36 -13.502 11.477 -21.680 269 HG22 ILE 36 2HG2 ILE 36 -14.567 12.568 -20.796 270 HG23 ILE 36 3HG2 ILE 36 -14.453 10.874 -20.323 271 HD11 ILE 36 3HD1 ILE 36 -16.732 10.284 -20.075 272 HD12 ILE 36 1HD1 ILE 36 -17.623 11.722 -19.578 273 HD13 ILE 36 2HD1 ILE 36 -18.376 10.547 -20.655 274 H ILE 37 H ILE 37 -13.167 13.092 -23.115 275 HA ILE 37 HA ILE 37 -14.152 15.550 -22.268 276 HB ILE 37 HB ILE 37 -11.761 14.764 -22.136 277 HG12 ILE 37 1HG1 ILE 37 -10.987 17.242 -22.961 278 HG13 ILE 37 2HG1 ILE 37 -12.724 17.472 -22.802 279 HG21 ILE 37 1HG2 ILE 37 -10.376 14.699 -23.929 280 HG22 ILE 37 2HG2 ILE 37 -11.892 14.389 -24.774 281 HG23 ILE 37 3HG2 ILE 37 -11.207 16.014 -24.759 282 HD11 ILE 37 3HD1 ILE 37 -10.674 16.970 -20.733 283 HD12 ILE 37 1HD1 ILE 37 -12.095 18.014 -20.699 284 HD13 ILE 37 2HD1 ILE 37 -12.274 16.273 -20.480 285 H ASP 38 H ASP 38 -13.853 14.240 -25.469 286 HA ASP 38 HA ASP 38 -14.045 16.715 -26.874 287 HB2 ASP 38 1HB ASP 38 -14.498 13.850 -27.711 288 HB3 ASP 38 2HB ASP 38 -14.648 15.207 -28.823 289 H GLU 39 H GLU 39 -16.322 14.563 -25.408 290 HA GLU 39 HA GLU 39 -18.574 15.817 -26.785 291 HB2 GLU 39 1HB GLU 39 -18.238 13.250 -26.174 292 HB3 GLU 39 2HB GLU 39 -18.966 13.766 -24.659 293 HG2 GLU 39 1HG GLU 39 -20.609 12.877 -26.246 294 HG3 GLU 39 2HG GLU 39 -20.924 14.557 -25.813 295 H ASN 40 H ASN 40 -20.485 16.415 -25.408 296 HA ASN 40 HA ASN 40 -19.568 17.766 -22.955 297 HB2 ASN 40 1HB ASN 40 -20.193 19.238 -24.932 298 HB3 ASN 40 2HB ASN 40 -21.849 18.684 -24.706 299 HD21 ASN 40 1HD2 ASN 40 -21.164 21.345 -24.547 300 HD22 ASN 40 2HD2 ASN 40 -21.360 21.888 -22.919 301 H ASP 41 H ASP 41 -20.450 15.154 -22.813 302 HA ASP 41 HA ASP 41 -23.245 15.200 -22.009 303 HB2 ASP 41 1HB ASP 41 -21.185 13.004 -22.201 304 HB3 ASP 41 2HB ASP 41 -22.780 12.745 -21.499 305 H THR 42 H THR 42 -23.319 16.443 -20.164 306 HA THR 42 HA THR 42 -21.522 15.959 -17.961 307 HB THR 42 HB THR 42 -24.042 17.556 -17.681 308 HG1 THR 42 HG1 THR 42 -21.806 18.152 -19.290 309 HG21 THR 42 3HG2 THR 42 -22.042 17.073 -15.955 310 HG22 THR 42 1HG2 THR 42 -22.966 18.575 -15.959 311 HG23 THR 42 2HG2 THR 42 -21.395 18.504 -16.757 312 H ASP 43 H ASP 43 -24.722 14.977 -18.918 313 HA ASP 43 HA ASP 43 -25.620 14.085 -16.379 314 HB2 ASP 43 1HB ASP 43 -27.167 14.535 -18.232 315 HB3 ASP 43 2HB ASP 43 -26.470 13.201 -19.146 316 H VAL 44 H VAL 44 -23.737 12.618 -18.942 317 HA VAL 44 HA VAL 44 -23.785 10.012 -17.642 318 HB VAL 44 HB VAL 44 -22.264 10.844 -20.115 319 HG11 VAL 44 1HG1 VAL 44 -22.692 8.277 -18.683 320 HG12 VAL 44 2HG1 VAL 44 -22.647 8.244 -20.447 321 HG13 VAL 44 3HG1 VAL 44 -21.271 8.873 -19.540 322 HG21 VAL 44 3HG2 VAL 44 -25.084 9.984 -19.709 323 HG22 VAL 44 1HG2 VAL 44 -24.409 11.146 -20.851 324 HG23 VAL 44 2HG2 VAL 44 -24.231 9.416 -21.144 325 H MET 45 H MET 45 -21.898 12.844 -17.648 326 HA MET 45 HA MET 45 -19.308 11.942 -17.295 327 HB2 MET 45 1HB MET 45 -20.818 14.355 -16.610 328 HB3 MET 45 2HB MET 45 -19.472 14.043 -15.523 329 HG2 MET 45 1HG MET 45 -18.257 13.651 -17.885 330 HG3 MET 45 2HG MET 45 -19.480 14.828 -18.359 331 HE1 MET 45 3HE MET 45 -15.636 15.162 -16.388 332 HE2 MET 45 1HE MET 45 -16.670 14.956 -14.974 333 HE3 MET 45 2HE MET 45 -16.718 13.772 -16.280 334 H MET 46 H MET 46 -21.792 12.456 -14.794 335 HA MET 46 HA MET 46 -20.338 11.733 -12.564 336 HB2 MET 46 1HB MET 46 -22.543 11.025 -11.589 337 HB3 MET 46 2HB MET 46 -22.533 12.637 -12.293 338 HG2 MET 46 1HG MET 46 -23.519 11.639 -14.365 339 HG3 MET 46 2HG MET 46 -23.702 10.132 -13.470 340 HE1 MET 46 3HE MET 46 -25.209 9.475 -12.198 341 HE2 MET 46 1HE MET 46 -25.827 10.439 -10.856 342 HE3 MET 46 2HE MET 46 -26.850 10.120 -12.256 343 H ASP 47 H ASP 47 -22.185 9.620 -14.742 344 HA ASP 47 HA ASP 47 -21.748 7.211 -13.400 345 HB2 ASP 47 1HB ASP 47 -23.319 7.684 -15.366 346 HB3 ASP 47 2HB ASP 47 -21.914 7.442 -16.400 347 H PHE 48 H PHE 48 -19.779 8.911 -15.780 348 HA PHE 48 HA PHE 48 -17.885 6.862 -16.196 349 HB2 PHE 48 1HB PHE 48 -17.899 8.578 -17.807 350 HB3 PHE 48 2HB PHE 48 -17.830 9.845 -16.586 351 HD1 PHE 48 HD1 PHE 48 -15.834 7.007 -17.935 352 HD2 PHE 48 HD2 PHE 48 -15.810 10.853 -16.112 353 HE1 PHE 48 HE1 PHE 48 -13.389 7.108 -18.189 354 HE2 PHE 48 HE2 PHE 48 -13.365 10.961 -16.363 355 HZ PHE 48 HZ PHE 48 -12.151 9.087 -17.403 356 H ILE 49 H ILE 49 -17.761 9.752 -14.116 357 HA ILE 49 HA ILE 49 -15.277 9.215 -12.942 358 HB ILE 49 HB ILE 49 -17.625 10.693 -11.746 359 HG12 ILE 49 1HG1 ILE 49 -15.467 12.360 -12.640 360 HG13 ILE 49 2HG1 ILE 49 -15.968 11.308 -13.959 361 HG21 ILE 49 1HG2 ILE 49 -15.504 11.857 -10.628 362 HG22 ILE 49 2HG2 ILE 49 -16.321 10.474 -9.902 363 HG23 ILE 49 3HG2 ILE 49 -14.845 10.235 -10.837 364 HD11 ILE 49 3HD1 ILE 49 -17.208 13.668 -12.984 365 HD12 ILE 49 1HD1 ILE 49 -17.664 12.661 -14.358 366 HD13 ILE 49 2HD1 ILE 49 -18.311 12.312 -12.755 367 H SER 50 H SER 50 -18.542 8.237 -12.010 368 HA SER 50 HA SER 50 -17.723 6.986 -9.572 369 HB2 SER 50 1HB SER 50 -20.270 6.855 -11.190 370 HB3 SER 50 2HB SER 50 -20.050 5.969 -9.682 371 HG SER 50 HG SER 50 -19.547 8.068 -8.732 372 H ARG 51 H ARG 51 -17.933 6.017 -12.890 373 HA ARG 51 HA ARG 51 -17.893 3.191 -12.364 374 HB2 ARG 51 1HB ARG 51 -17.766 4.923 -14.787 375 HB3 ARG 51 2HB ARG 51 -17.163 3.277 -14.918 376 HG2 ARG 51 1HG ARG 51 -19.296 2.384 -14.270 377 HG3 ARG 51 2HG ARG 51 -19.915 4.003 -13.940 378 HD2 ARG 51 1HD ARG 51 -19.958 4.574 -16.208 379 HD3 ARG 51 2HD ARG 51 -18.877 3.254 -16.652 380 HE ARG 51 HE ARG 51 -21.728 3.131 -16.357 381 HH11 ARG 51 1HH1 ARG 51 -18.769 1.301 -16.230 382 HH12 ARG 51 2HH1 ARG 51 -19.538 -0.214 -16.571 383 HH21 ARG 51 1HH2 ARG 51 -22.752 1.143 -16.807 384 HH22 ARG 51 2HH2 ARG 51 -21.803 -0.302 -16.900 385 H PHE 52 H PHE 52 -15.523 5.583 -13.505 386 HA PHE 52 HA PHE 52 -13.375 3.665 -13.470 387 HB2 PHE 52 1HB PHE 52 -13.543 6.621 -14.005 388 HB3 PHE 52 2HB PHE 52 -11.987 5.812 -13.851 389 HD1 PHE 52 HD2 PHE 52 -15.229 5.359 -15.644 390 HD2 PHE 52 HD1 PHE 52 -10.984 5.091 -15.778 391 HE1 PHE 52 HE2 PHE 52 -15.350 4.690 -18.008 392 HE2 PHE 52 HE1 PHE 52 -11.097 4.422 -18.143 393 HZ PHE 52 HZ PHE 52 -13.282 4.219 -19.261 394 H ALA 53 H ALA 53 -14.087 6.638 -11.635 395 HA ALA 53 HA ALA 53 -12.056 6.026 -9.679 396 HB1 ALA 53 3HB ALA 53 -12.222 8.178 -9.084 397 HB2 ALA 53 1HB ALA 53 -13.190 8.352 -10.548 398 HB3 ALA 53 2HB ALA 53 -13.982 8.116 -8.989 399 H ARG 54 H ARG 54 -12.357 5.385 -7.569 400 HA ARG 54 HA ARG 54 -15.036 4.338 -6.938 401 HB2 ARG 54 1HB ARG 54 -13.032 2.745 -7.183 402 HB3 ARG 54 2HB ARG 54 -12.473 3.416 -5.656 403 HG2 ARG 54 1HG ARG 54 -13.611 1.592 -4.906 404 HG3 ARG 54 2HG ARG 54 -14.902 2.794 -4.869 405 HD2 ARG 54 1HD ARG 54 -15.825 0.880 -5.897 406 HD3 ARG 54 2HD ARG 54 -15.508 2.025 -7.199 407 HE ARG 54 HE ARG 54 -14.038 0.525 -8.089 408 HH11 ARG 54 1HH1 ARG 54 -14.556 -0.272 -4.739 409 HH12 ARG 54 2HH1 ARG 54 -13.635 -1.738 -4.811 410 HH21 ARG 54 1HH2 ARG 54 -12.824 -1.403 -8.196 411 HH22 ARG 54 2HH2 ARG 54 -12.650 -2.380 -6.777 412 H THR 55 H THR 55 -15.783 6.276 -6.011 413 HA THR 55 HA THR 55 -14.362 7.553 -3.870 414 HB THR 55 HB THR 55 -15.792 8.935 -5.212 415 HG1 THR 55 HG1 THR 55 -16.392 10.007 -3.490 416 HG21 THR 55 3HG2 THR 55 -17.718 8.198 -6.051 417 HG22 THR 55 1HG2 THR 55 -18.400 8.082 -4.430 418 HG23 THR 55 2HG2 THR 55 -17.540 6.708 -5.125 419 H ASP 56 H ASP 56 -14.245 5.240 -2.854 420 HA ASP 56 HA ASP 56 -16.504 4.974 -0.978 421 HB2 ASP 56 1HB ASP 56 -15.766 3.071 -2.750 422 HB3 ASP 56 2HB ASP 56 -14.730 2.639 -1.392 423 H GLU 57 H GLU 57 -15.417 3.271 0.849 424 HA GLU 57 HA GLU 57 -13.830 5.014 2.418 425 HB2 GLU 57 1HB GLU 57 -14.826 2.215 2.701 426 HB3 GLU 57 2HB GLU 57 -13.545 2.759 3.775 427 HG2 GLU 57 1HG GLU 57 -15.008 4.689 4.399 428 HG3 GLU 57 2HG GLU 57 -16.301 3.921 3.480 429 H ILE 58 H ILE 58 -11.966 5.486 1.221 430 HA ILE 58 HA ILE 58 -10.145 3.284 0.611 431 HB ILE 58 HB ILE 58 -10.405 4.915 -1.149 432 HG12 ILE 58 1HG1 ILE 58 -8.051 5.578 -1.467 433 HG13 ILE 58 2HG1 ILE 58 -7.727 5.228 0.228 434 HG21 ILE 58 1HG2 ILE 58 -9.622 7.270 -0.779 435 HG22 ILE 58 2HG2 ILE 58 -11.120 6.844 0.045 436 HG23 ILE 58 3HG2 ILE 58 -9.608 6.921 0.950 437 HD11 ILE 58 3HD1 ILE 58 -7.302 3.123 -0.276 438 HD12 ILE 58 1HD1 ILE 58 -8.917 2.936 -0.960 439 HD13 ILE 58 2HD1 ILE 58 -7.585 3.485 -1.979 440 H MET 59 H MET 59 -8.128 3.050 1.520 441 HA MET 59 HA MET 59 -7.768 4.348 4.099 442 HB2 MET 59 1HB MET 59 -6.736 1.897 2.785 443 HB3 MET 59 2HB MET 59 -5.671 2.674 3.948 444 HG2 MET 59 1HG MET 59 -7.353 2.494 5.668 445 HG3 MET 59 2HG MET 59 -8.501 1.824 4.511 446 HE1 MET 59 3HE MET 59 -7.501 -0.544 7.300 447 HE2 MET 59 1HE MET 59 -8.728 0.502 6.583 448 HE3 MET 59 2HE MET 59 -8.562 -1.166 6.034 449 HA PRO 60 HA PRO 60 -4.571 7.121 2.944 450 HB2 PRO 60 1HB PRO 60 -2.850 6.942 5.037 451 HB3 PRO 60 2HB PRO 60 -4.427 7.731 5.155 452 HG2 PRO 60 1HG PRO 60 -3.621 4.974 5.999 453 HG3 PRO 60 2HG PRO 60 -4.636 6.153 6.850 454 HD2 PRO 60 1HD PRO 60 -5.672 4.076 5.457 455 HD3 PRO 60 2HD PRO 60 -6.502 5.639 5.599 456 H GLU 61 H GLU 61 -3.878 3.795 3.364 457 HA GLU 61 HA GLU 61 -1.133 3.667 2.947 458 HB2 GLU 61 1HB GLU 61 -3.421 1.832 2.448 459 HB3 GLU 61 2HB GLU 61 -1.891 1.445 1.673 460 HG2 GLU 61 1HG GLU 61 -1.716 0.275 3.631 461 HG3 GLU 61 2HG GLU 61 -0.908 1.782 4.057 462 H ASP 62 H ASP 62 -3.689 4.445 0.748 463 HA ASP 62 HA ASP 62 -2.603 3.834 -1.715 464 HB2 ASP 62 1HB ASP 62 -4.452 5.964 -0.738 465 HB3 ASP 62 2HB ASP 62 -3.819 6.097 -2.377 466 H LYS 63 H LYS 63 -1.567 5.243 -3.308 467 HA LYS 63 HA LYS 63 0.188 7.280 -2.123 468 HB2 LYS 63 1HB LYS 63 0.959 4.809 -3.591 469 HB3 LYS 63 2HB LYS 63 1.879 6.270 -3.926 470 HG2 LYS 63 1HG LYS 63 2.613 6.443 -1.698 471 HG3 LYS 63 2HG LYS 63 1.427 5.265 -1.134 472 HD2 LYS 63 1HD LYS 63 3.437 4.071 -1.185 473 HD3 LYS 63 2HD LYS 63 2.626 3.607 -2.682 474 HE2 LYS 63 1HE LYS 63 3.987 5.117 -3.955 475 HE3 LYS 63 2HE LYS 63 4.687 5.798 -2.487 476 HZ1 LYS 63 3HZ LYS 63 4.982 2.925 -2.861 477 HZ2 LYS 63 1HZ LYS 63 6.073 4.053 -2.229 478 HZ3 LYS 63 2HZ LYS 63 5.876 3.912 -3.903 479 H THR 64 H THR 64 1.281 8.610 -3.851 480 HA THR 64 HA THR 64 -0.628 9.096 -6.039 481 HB THR 64 HB THR 64 1.355 11.083 -4.928 482 HG1 THR 64 HG1 THR 64 -0.803 11.923 -4.047 483 HG21 THR 64 3HG2 THR 64 -0.646 11.089 -7.069 484 HG22 THR 64 1HG2 THR 64 0.751 12.135 -6.823 485 HG23 THR 64 2HG2 THR 64 -0.758 12.466 -5.973 486 H VAL 65 H VAL 65 0.038 8.979 -8.097 487 HA VAL 65 HA VAL 65 2.913 8.549 -8.577 488 HB VAL 65 HB VAL 65 2.268 7.335 -10.611 489 HG11 VAL 65 1HG1 VAL 65 0.672 5.665 -9.042 490 HG12 VAL 65 2HG1 VAL 65 2.424 5.591 -9.240 491 HG13 VAL 65 3HG1 VAL 65 1.724 6.508 -7.905 492 HG21 VAL 65 3HG2 VAL 65 0.211 7.353 -11.481 493 HG22 VAL 65 1HG2 VAL 65 -0.536 6.992 -9.924 494 HG23 VAL 65 2HG2 VAL 65 -0.140 8.658 -10.347 495 H GLY 66 H GLY 66 0.276 10.620 -9.175 496 HA2 GLY 66 1HA GLY 66 1.685 12.665 -10.331 497 HA3 GLY 66 2HA GLY 66 1.169 11.675 -11.689 498 H PHE 67 H PHE 67 0.319 14.231 -11.605 499 HA PHE 67 HA PHE 67 -2.545 13.902 -11.070 500 HB2 PHE 67 1HB PHE 67 -1.771 15.183 -9.190 501 HB3 PHE 67 2HB PHE 67 -0.845 16.256 -10.235 502 HD1 PHE 67 HD2 PHE 67 -4.352 15.032 -10.492 503 HD2 PHE 67 HD1 PHE 67 -1.749 18.364 -10.003 504 HE1 PHE 67 HE2 PHE 67 -6.280 16.555 -10.628 505 HE2 PHE 67 HE1 PHE 67 -3.673 19.892 -10.137 506 HZ PHE 67 HZ PHE 67 -5.942 18.988 -10.451 507 H VAL 68 H VAL 68 -3.829 14.600 -12.674 508 HA VAL 68 HA VAL 68 -2.551 16.063 -14.890 509 HB VAL 68 HB VAL 68 -4.919 14.187 -14.969 510 HG11 VAL 68 1HG1 VAL 68 -4.198 14.550 -17.550 511 HG12 VAL 68 2HG1 VAL 68 -5.480 15.457 -16.744 512 HG13 VAL 68 3HG1 VAL 68 -3.864 16.151 -16.890 513 HG21 VAL 68 3HG2 VAL 68 -2.131 13.886 -16.085 514 HG22 VAL 68 1HG2 VAL 68 -2.772 13.049 -14.671 515 HG23 VAL 68 2HG2 VAL 68 -3.452 12.731 -16.267 516 H VAL 69 H VAL 69 -3.266 18.037 -15.347 517 HA VAL 69 HA VAL 69 -5.769 18.939 -14.093 518 HB VAL 69 HB VAL 69 -3.563 20.668 -15.213 519 HG11 VAL 69 1HG1 VAL 69 -5.750 21.745 -15.074 520 HG12 VAL 69 2HG1 VAL 69 -5.867 21.300 -13.371 521 HG13 VAL 69 3HG1 VAL 69 -4.626 22.435 -13.903 522 HG21 VAL 69 3HG2 VAL 69 -2.348 20.170 -13.419 523 HG22 VAL 69 1HG2 VAL 69 -3.623 20.856 -12.412 524 HG23 VAL 69 2HG2 VAL 69 -3.628 19.133 -12.789 525 H VAL 70 H VAL 70 -7.476 19.086 -15.375 526 HA VAL 70 HA VAL 70 -7.073 19.888 -18.181 527 HB VAL 70 HB VAL 70 -9.028 17.816 -17.172 528 HG11 VAL 70 1HG1 VAL 70 -10.267 18.328 -18.945 529 HG12 VAL 70 2HG1 VAL 70 -9.065 19.486 -19.517 530 HG13 VAL 70 3HG1 VAL 70 -8.935 17.785 -19.965 531 HG21 VAL 70 3HG2 VAL 70 -6.983 16.721 -17.306 532 HG22 VAL 70 1HG2 VAL 70 -7.693 16.422 -18.893 533 HG23 VAL 70 2HG2 VAL 70 -6.456 17.664 -18.700 534 H ASN 71 H ASN 71 -7.883 21.875 -18.347 535 HA ASN 71 HA ASN 71 -10.503 22.415 -17.110 536 HB2 ASN 71 1HB ASN 71 -8.386 23.630 -16.187 537 HB3 ASN 71 2HB ASN 71 -8.515 24.598 -17.653 538 HD21 ASN 71 1HD2 ASN 71 -8.712 25.788 -15.225 539 HD22 ASN 71 2HD2 ASN 71 -10.335 26.314 -14.950 540 H ALA 72 H ALA 72 -11.820 22.112 -18.837 541 HA ALA 72 HA ALA 72 -11.180 22.964 -21.481 542 HB1 ALA 72 3HB ALA 72 -12.666 21.234 -21.558 543 HB2 ALA 72 1HB ALA 72 -13.556 21.788 -20.140 544 HB3 ALA 72 2HB ALA 72 -13.788 22.588 -21.695 545 H ASP 73 H ASP 73 -12.778 24.425 -18.756 546 HA ASP 73 HA ASP 73 -14.082 26.508 -20.201 547 HB2 ASP 73 1HB ASP 73 -14.561 25.636 -17.807 548 HB3 ASP 73 2HB ASP 73 -13.265 26.724 -17.316 549 H LYS 74 H LYS 74 -11.134 26.444 -18.201 550 HA LYS 74 HA LYS 74 -10.392 29.105 -19.026 551 HB2 LYS 74 1HB LYS 74 -8.977 27.011 -17.374 552 HB3 LYS 74 2HB LYS 74 -8.296 28.596 -17.717 553 HG2 LYS 74 1HG LYS 74 -10.410 29.555 -16.680 554 HG3 LYS 74 2HG LYS 74 -10.722 27.923 -16.086 555 HD2 LYS 74 1HD LYS 74 -9.590 28.869 -14.308 556 HD3 LYS 74 2HD LYS 74 -8.282 28.076 -15.189 557 HE2 LYS 74 1HE LYS 74 -7.691 30.181 -16.247 558 HE3 LYS 74 2HE LYS 74 -9.040 30.985 -15.445 559 HZ1 LYS 74 3HZ LYS 74 -7.792 29.986 -13.342 560 HZ2 LYS 74 1HZ LYS 74 -7.421 31.507 -13.984 561 HZ3 LYS 74 2HZ LYS 74 -6.461 30.170 -14.369 562 H LYS 75 H LYS 75 -10.080 26.026 -20.340 563 HA LYS 75 HA LYS 75 -8.978 25.210 -22.155 564 HB2 LYS 75 1HB LYS 75 -8.032 28.023 -22.688 565 HB3 LYS 75 2HB LYS 75 -8.251 26.720 -23.849 566 HG2 LYS 75 1HG LYS 75 -10.682 26.808 -23.442 567 HG3 LYS 75 2HG LYS 75 -10.424 28.177 -22.358 568 HD2 LYS 75 1HD LYS 75 -10.965 29.227 -24.347 569 HD3 LYS 75 2HD LYS 75 -9.201 29.225 -24.399 570 HE2 LYS 75 1HE LYS 75 -9.813 28.504 -26.528 571 HE3 LYS 75 2HE LYS 75 -9.451 27.005 -25.673 572 HZ1 LYS 75 3HZ LYS 75 -11.922 26.923 -25.188 573 HZ2 LYS 75 1HZ LYS 75 -11.452 26.615 -26.784 574 HZ3 LYS 75 2HZ LYS 75 -12.100 28.121 -26.369 575 H LEU 76 H LEU 76 -7.670 24.733 -19.908 576 HA LEU 76 HA LEU 76 -4.863 25.057 -20.684 577 HB2 LEU 76 1HB LEU 76 -6.147 25.936 -18.168 578 HB3 LEU 76 2HB LEU 76 -4.585 25.134 -18.020 579 HG LEU 76 HG LEU 76 -4.748 27.332 -19.991 580 HD11 LEU 76 1HD1 LEU 76 -4.801 27.845 -17.021 581 HD12 LEU 76 2HD1 LEU 76 -6.075 28.255 -18.169 582 HD13 LEU 76 3HD1 LEU 76 -4.505 29.051 -18.273 583 HD21 LEU 76 3HD2 LEU 76 -2.524 27.778 -19.191 584 HD22 LEU 76 1HD2 LEU 76 -2.688 26.047 -19.487 585 HD23 LEU 76 2HD2 LEU 76 -2.745 26.668 -17.837 586 H MET 77 H MET 77 -3.911 23.142 -20.807 587 HA MET 77 HA MET 77 -4.872 20.976 -19.058 588 HB2 MET 77 1HB MET 77 -3.936 20.694 -21.919 589 HB3 MET 77 2HB MET 77 -4.461 19.384 -20.870 590 HG2 MET 77 1HG MET 77 -6.609 19.758 -21.299 591 HG3 MET 77 2HG MET 77 -6.437 21.499 -21.093 592 HE1 MET 77 3HE MET 77 -8.429 21.152 -22.748 593 HE2 MET 77 1HE MET 77 -7.716 22.639 -23.372 594 HE3 MET 77 2HE MET 77 -8.188 21.354 -24.484 595 H SER 78 H SER 78 -3.354 20.197 -17.761 596 HA SER 78 HA SER 78 -0.576 20.105 -18.676 597 HB2 SER 78 1HB SER 78 -1.375 21.258 -15.994 598 HB3 SER 78 2HB SER 78 0.266 21.087 -16.616 599 HG SER 78 HG SER 78 -1.311 23.142 -16.911 600 H VAL 79 H VAL 79 -0.199 17.983 -18.624 601 HA VAL 79 HA VAL 79 -1.297 16.353 -16.464 602 HB VAL 79 HB VAL 79 -0.654 14.429 -17.746 603 HG11 VAL 79 1HG1 VAL 79 -2.169 14.629 -19.463 604 HG12 VAL 79 2HG1 VAL 79 -2.626 16.001 -18.454 605 HG13 VAL 79 3HG1 VAL 79 -1.635 16.254 -19.891 606 HG21 VAL 79 3HG2 VAL 79 0.543 14.640 -19.893 607 HG22 VAL 79 1HG2 VAL 79 0.769 16.360 -19.575 608 HG23 VAL 79 2HG2 VAL 79 1.521 15.161 -18.521 609 H SER 80 H SER 80 -0.102 15.387 -14.908 610 HA SER 80 HA SER 80 2.817 15.771 -14.997 611 HB2 SER 80 1HB SER 80 1.517 17.310 -13.395 612 HB3 SER 80 2HB SER 80 1.233 15.858 -12.434 613 HG SER 80 HG SER 80 3.463 17.380 -12.631 614 H PHE 81 H PHE 81 3.364 13.712 -15.562 615 HA PHE 81 HA PHE 81 2.339 11.513 -13.910 616 HB2 PHE 81 1HB PHE 81 3.583 11.623 -16.645 617 HB3 PHE 81 2HB PHE 81 3.521 10.113 -15.741 618 HD1 PHE 81 HD1 PHE 81 1.173 12.921 -16.488 619 HD2 PHE 81 HD2 PHE 81 1.819 8.717 -16.353 620 HE1 PHE 81 HE1 PHE 81 -1.125 12.546 -17.286 621 HE2 PHE 81 HE2 PHE 81 -0.476 8.334 -17.151 622 HZ PHE 81 HZ PHE 81 -1.951 10.250 -17.619 623 H SER 82 H SER 82 3.635 10.343 -12.605 624 HA SER 82 HA SER 82 6.535 10.725 -12.768 625 HB2 SER 82 1HB SER 82 6.172 12.263 -11.072 626 HB3 SER 82 2HB SER 82 4.771 11.396 -10.443 627 HG SER 82 HG SER 82 7.510 10.755 -10.138 628 H ASP 83 H ASP 83 7.758 8.999 -12.036 629 HA ASP 83 HA ASP 83 8.247 6.813 -11.642 630 HB2 ASP 83 1HB ASP 83 5.863 7.233 -9.859 631 HB3 ASP 83 2HB ASP 83 6.638 5.655 -9.973 632 H ILE 84 H ILE 84 7.286 7.013 -14.054 633 HA ILE 84 HA ILE 84 5.414 4.755 -14.307 634 HB ILE 84 HB ILE 84 4.473 5.799 -16.332 635 HG12 ILE 84 1HG1 ILE 84 5.815 8.361 -15.495 636 HG13 ILE 84 2HG1 ILE 84 6.565 7.268 -16.653 637 HG21 ILE 84 1HG2 ILE 84 4.083 6.639 -13.617 638 HG22 ILE 84 2HG2 ILE 84 3.728 7.968 -14.720 639 HG23 ILE 84 3HG2 ILE 84 2.894 6.424 -14.902 640 HD11 ILE 84 3HD1 ILE 84 5.199 9.221 -17.555 641 HD12 ILE 84 1HD1 ILE 84 4.900 7.624 -18.241 642 HD13 ILE 84 2HD1 ILE 84 3.783 8.297 -17.052 643 H ASP 85 H ASP 85 5.584 3.589 -16.354 644 HA ASP 85 HA ASP 85 8.225 2.888 -16.972 645 HB2 ASP 85 1HB ASP 85 5.591 2.348 -18.323 646 HB3 ASP 85 2HB ASP 85 7.105 1.763 -19.008 647 H GLU 86 H GLU 86 9.413 3.134 -18.940 648 HA GLU 86 HA GLU 86 9.327 5.809 -19.952 649 HB2 GLU 86 1HB GLU 86 11.246 5.065 -21.359 650 HB3 GLU 86 2HB GLU 86 11.472 4.773 -19.640 651 HG2 GLU 86 1HG GLU 86 10.957 2.439 -19.919 652 HG3 GLU 86 2HG GLU 86 10.567 2.695 -21.619 653 H ASN 87 H ASN 87 8.245 2.687 -21.057 654 HA ASN 87 HA ASN 87 7.850 3.460 -23.785 655 HB2 ASN 87 1HB ASN 87 6.918 1.106 -22.145 656 HB3 ASN 87 2HB ASN 87 6.449 1.322 -23.829 657 HD21 ASN 87 1HD2 ASN 87 8.147 1.414 -25.421 658 HD22 ASN 87 2HD2 ASN 87 9.621 0.556 -25.145 659 H MET 88 H MET 88 5.704 3.021 -20.986 660 HA MET 88 HA MET 88 3.291 3.625 -22.244 661 HB2 MET 88 1HB MET 88 3.992 2.900 -19.731 662 HB3 MET 88 2HB MET 88 3.609 4.597 -19.470 663 HG2 MET 88 1HG MET 88 1.561 3.708 -19.110 664 HG3 MET 88 2HG MET 88 1.454 3.951 -20.852 665 HE1 MET 88 3HE MET 88 0.729 1.969 -18.119 666 HE2 MET 88 1HE MET 88 0.596 0.289 -18.640 667 HE3 MET 88 2HE MET 88 2.147 0.919 -18.083 668 H LYS 89 H LYS 89 5.866 5.694 -21.167 669 HA LYS 89 HA LYS 89 4.542 8.134 -20.948 670 HB2 LYS 89 1HB LYS 89 7.333 7.297 -21.542 671 HB3 LYS 89 2HB LYS 89 6.900 8.965 -21.894 672 HG2 LYS 89 1HG LYS 89 6.146 9.232 -19.564 673 HG3 LYS 89 2HG LYS 89 6.671 7.580 -19.229 674 HD2 LYS 89 1HD LYS 89 8.534 8.716 -18.553 675 HD3 LYS 89 2HD LYS 89 8.940 8.480 -20.254 676 HE2 LYS 89 1HE LYS 89 9.390 10.734 -19.907 677 HE3 LYS 89 2HE LYS 89 7.776 10.751 -20.617 678 HZ1 LYS 89 3HZ LYS 89 8.631 11.622 -18.030 679 HZ2 LYS 89 1HZ LYS 89 7.318 10.559 -17.940 680 HZ3 LYS 89 2HZ LYS 89 7.202 11.969 -18.866 681 H LYS 90 H LYS 90 5.731 6.431 -23.790 682 HA LYS 90 HA LYS 90 5.444 8.483 -25.672 683 HB2 LYS 90 1HB LYS 90 6.516 6.139 -25.911 684 HB3 LYS 90 2HB LYS 90 4.893 5.599 -26.318 685 HG2 LYS 90 1HG LYS 90 4.876 6.697 -28.319 686 HG3 LYS 90 2HG LYS 90 6.004 7.940 -27.773 687 HD2 LYS 90 1HD LYS 90 6.978 5.134 -27.977 688 HD3 LYS 90 2HD LYS 90 6.741 6.049 -29.468 689 HE2 LYS 90 1HE LYS 90 8.264 7.245 -27.188 690 HE3 LYS 90 2HE LYS 90 9.050 6.102 -28.276 691 HZ1 LYS 90 3HZ LYS 90 9.471 8.226 -29.147 692 HZ2 LYS 90 1HZ LYS 90 7.869 8.733 -28.945 693 HZ3 LYS 90 2HZ LYS 90 8.251 7.586 -30.129 694 H VAL 91 H VAL 91 3.173 5.847 -24.883 695 HA VAL 91 HA VAL 91 1.079 6.698 -26.523 696 HB VAL 91 HB VAL 91 0.879 5.207 -23.903 697 HG11 VAL 91 1HG1 VAL 91 -1.069 5.439 -26.195 698 HG12 VAL 91 2HG1 VAL 91 -1.250 4.365 -24.807 699 HG13 VAL 91 3HG1 VAL 91 -1.267 6.114 -24.578 700 HG21 VAL 91 3HG2 VAL 91 1.566 4.385 -26.677 701 HG22 VAL 91 1HG2 VAL 91 2.183 3.792 -25.134 702 HG23 VAL 91 2HG2 VAL 91 0.591 3.288 -25.700 703 H ILE 92 H ILE 92 1.471 7.205 -23.013 704 HA ILE 92 HA ILE 92 -0.741 8.816 -22.594 705 HB ILE 92 HB ILE 92 1.941 8.958 -21.213 706 HG12 ILE 92 1HG1 ILE 92 -0.556 7.654 -20.162 707 HG13 ILE 92 2HG1 ILE 92 0.532 6.779 -21.234 708 HG21 ILE 92 1HG2 ILE 92 -0.735 10.067 -20.376 709 HG22 ILE 92 2HG2 ILE 92 0.708 10.017 -19.365 710 HG23 ILE 92 3HG2 ILE 92 0.692 10.998 -20.831 711 HD11 ILE 92 3HD1 ILE 92 0.878 6.390 -18.789 712 HD12 ILE 92 1HD1 ILE 92 2.309 6.916 -19.675 713 HD13 ILE 92 2HD1 ILE 92 1.423 8.063 -18.670 714 H LYS 93 H LYS 93 2.565 9.798 -23.452 715 HA LYS 93 HA LYS 93 2.162 12.559 -23.450 716 HB2 LYS 93 1HB LYS 93 4.372 11.407 -23.605 717 HB3 LYS 93 2HB LYS 93 4.005 11.008 -25.278 718 HG2 LYS 93 1HG LYS 93 3.717 13.534 -25.611 719 HG3 LYS 93 2HG LYS 93 4.551 13.691 -24.063 720 HD2 LYS 93 1HD LYS 93 5.668 12.085 -26.349 721 HD3 LYS 93 2HD LYS 93 5.993 13.808 -26.152 722 HE2 LYS 93 1HE LYS 93 6.529 11.763 -24.007 723 HE3 LYS 93 2HE LYS 93 7.731 12.248 -25.202 724 HZ1 LYS 93 3HZ LYS 93 6.561 14.526 -23.994 725 HZ2 LYS 93 1HZ LYS 93 8.185 14.055 -24.030 726 HZ3 LYS 93 2HZ LYS 93 7.169 13.490 -22.803 727 H ALA 94 H ALA 94 1.680 10.176 -26.020 728 HA ALA 94 HA ALA 94 1.081 11.988 -28.087 729 HB1 ALA 94 3HB ALA 94 -0.023 9.199 -27.821 730 HB2 ALA 94 1HB ALA 94 0.249 10.120 -29.301 731 HB3 ALA 94 2HB ALA 94 1.622 9.553 -28.350 732 H THR 95 H THR 95 -1.011 10.297 -25.772 733 HA THR 95 HA THR 95 -3.466 11.217 -26.788 734 HB THR 95 HB THR 95 -2.849 10.521 -23.910 735 HG1 THR 95 HG1 THR 95 -3.694 8.414 -24.669 736 HG21 THR 95 3HG2 THR 95 -5.438 10.399 -25.462 737 HG22 THR 95 1HG2 THR 95 -5.018 11.639 -24.281 738 HG23 THR 95 2HG2 THR 95 -5.212 9.963 -23.768 739 H ALA 96 H ALA 96 -1.323 12.530 -24.288 740 HA ALA 96 HA ALA 96 -3.021 14.696 -23.584 741 HB1 ALA 96 3HB ALA 96 -0.062 14.291 -23.176 742 HB2 ALA 96 1HB ALA 96 -0.999 15.608 -22.470 743 HB3 ALA 96 2HB ALA 96 -1.354 13.937 -22.029 744 H GLU 97 H GLU 97 -0.503 14.249 -25.981 745 HA GLU 97 HA GLU 97 -0.256 17.021 -26.640 746 HB2 GLU 97 1HB GLU 97 0.715 14.456 -27.837 747 HB3 GLU 97 2HB GLU 97 0.796 15.932 -28.789 748 HG2 GLU 97 1HG GLU 97 2.067 16.975 -26.906 749 HG3 GLU 97 2HG GLU 97 2.125 15.384 -26.149 750 H LYS 98 H LYS 98 -2.240 14.363 -27.732 751 HA LYS 98 HA LYS 98 -3.143 15.434 -30.162 752 HB2 LYS 98 1HB LYS 98 -3.613 13.128 -28.693 753 HB3 LYS 98 2HB LYS 98 -5.180 13.924 -28.723 754 HG2 LYS 98 1HG LYS 98 -4.980 12.378 -30.570 755 HG3 LYS 98 2HG LYS 98 -5.070 14.036 -31.168 756 HD2 LYS 98 1HD LYS 98 -2.795 14.082 -31.718 757 HD3 LYS 98 2HD LYS 98 -2.431 12.682 -30.706 758 HE2 LYS 98 1HE LYS 98 -3.373 11.187 -32.236 759 HE3 LYS 98 2HE LYS 98 -4.267 12.459 -33.067 760 HZ1 LYS 98 3HZ LYS 98 -1.647 13.187 -33.324 761 HZ2 LYS 98 1HZ LYS 98 -2.604 12.464 -34.518 762 HZ3 LYS 98 2HZ LYS 98 -1.616 11.508 -33.533 763 H PHE 99 H PHE 99 -3.976 16.157 -26.874 764 HA PHE 99 HA PHE 99 -6.498 17.289 -27.179 765 HB2 PHE 99 1HB PHE 99 -4.251 17.682 -25.253 766 HB3 PHE 99 2HB PHE 99 -5.585 18.830 -25.226 767 HD1 PHE 99 HD1 PHE 99 -4.585 15.362 -24.633 768 HD2 PHE 99 HD2 PHE 99 -7.782 18.168 -24.493 769 HE1 PHE 99 HE1 PHE 99 -5.896 13.795 -23.262 770 HE2 PHE 99 HE2 PHE 99 -9.097 16.606 -23.121 771 HZ PHE 99 HZ PHE 99 -8.154 14.417 -22.503 772 H LYS 100 H LYS 100 -3.416 18.429 -28.211 773 HA LYS 100 HA LYS 100 -3.697 21.162 -28.293 774 HB2 LYS 100 1HB LYS 100 -2.290 19.179 -30.018 775 HB3 LYS 100 2HB LYS 100 -2.412 20.835 -30.599 776 HG2 LYS 100 1HG LYS 100 -1.453 20.368 -27.823 777 HG3 LYS 100 2HG LYS 100 -0.362 20.036 -29.170 778 HD2 LYS 100 1HD LYS 100 -1.847 22.636 -28.962 779 HD3 LYS 100 2HD LYS 100 -0.316 22.382 -28.120 780 HE2 LYS 100 1HE LYS 100 0.534 23.198 -30.051 781 HE3 LYS 100 2HE LYS 100 0.375 21.517 -30.559 782 HZ1 LYS 100 3HZ LYS 100 -2.059 22.873 -30.990 783 HZ2 LYS 100 1HZ LYS 100 -1.045 22.130 -32.123 784 HZ3 LYS 100 2HZ LYS 100 -0.804 23.751 -31.707 785 H ASN 101 H ASN 101 -5.281 18.756 -30.255 786 HA ASN 101 HA ASN 101 -6.120 20.208 -32.439 787 HB2 ASN 101 1HB ASN 101 -7.412 17.991 -30.874 788 HB3 ASN 101 2HB ASN 101 -8.244 18.721 -32.244 789 HD21 ASN 101 1HD2 ASN 101 -7.026 16.022 -31.725 790 HD22 ASN 101 2HD2 ASN 101 -6.011 15.740 -33.094 791 H LYS 102 H LYS 102 -7.590 20.070 -29.217 792 HA LYS 102 HA LYS 102 -9.105 22.501 -29.901 793 HB2 LYS 102 1HB LYS 102 -10.039 20.111 -28.308 794 HB3 LYS 102 2HB LYS 102 -10.881 21.655 -28.322 795 HG2 LYS 102 1HG LYS 102 -11.408 21.451 -30.620 796 HG3 LYS 102 2HG LYS 102 -10.310 20.083 -30.819 797 HD2 LYS 102 1HD LYS 102 -11.852 19.018 -28.962 798 HD3 LYS 102 2HD LYS 102 -13.018 20.190 -29.581 799 HE2 LYS 102 1HE LYS 102 -11.515 18.461 -31.495 800 HE3 LYS 102 2HE LYS 102 -12.875 17.782 -30.602 801 HZ1 LYS 102 3HZ LYS 102 -13.003 20.221 -32.291 802 HZ2 LYS 102 1HZ LYS 102 -14.301 19.485 -31.494 803 HZ3 LYS 102 2HZ LYS 102 -13.527 18.685 -32.767 804 H GLY 103 H GLY 103 -6.496 22.056 -28.541 805 HA2 GLY 103 1HA GLY 103 -7.061 23.734 -26.228 806 HA3 GLY 103 2HA GLY 103 -6.302 22.186 -25.888 807 H PHE 104 H PHE 104 -5.896 25.324 -27.373 808 HA PHE 104 HA PHE 104 -3.325 24.988 -28.431 809 HB2 PHE 104 1HB PHE 104 -3.195 27.379 -28.513 810 HB3 PHE 104 2HB PHE 104 -4.866 26.934 -28.843 811 HD1 PHE 104 HD2 PHE 104 -6.613 27.349 -27.190 812 HD2 PHE 104 HD1 PHE 104 -2.591 28.574 -26.530 813 HE1 PHE 104 HE2 PHE 104 -7.366 28.832 -25.377 814 HE2 PHE 104 HE1 PHE 104 -3.337 30.059 -24.715 815 HZ PHE 104 HZ PHE 104 -5.728 30.190 -24.137 816 H LYS 105 H LYS 105 -4.423 25.375 -25.178 817 HA LYS 105 HA LYS 105 -1.685 25.844 -24.230 818 HB2 LYS 105 1HB LYS 105 -3.939 27.099 -23.474 819 HB3 LYS 105 2HB LYS 105 -3.953 25.773 -22.318 820 HG2 LYS 105 1HG LYS 105 -2.870 27.686 -21.345 821 HG3 LYS 105 2HG LYS 105 -1.684 26.405 -21.602 822 HD2 LYS 105 1HD LYS 105 -0.810 27.503 -23.534 823 HD3 LYS 105 2HD LYS 105 -2.127 28.678 -23.532 824 HE2 LYS 105 1HE LYS 105 -1.235 29.878 -21.802 825 HE3 LYS 105 2HE LYS 105 -0.432 28.475 -21.099 826 HZ1 LYS 105 3HZ LYS 105 1.188 28.559 -22.899 827 HZ2 LYS 105 1HZ LYS 105 1.168 30.012 -22.032 828 HZ3 LYS 105 2HZ LYS 105 0.424 29.921 -23.548 829 H VAL 106 H VAL 106 -0.758 23.832 -24.342 830 HA VAL 106 HA VAL 106 -1.856 21.830 -22.490 831 HB VAL 106 HB VAL 106 -2.411 21.060 -24.726 832 HG11 VAL 106 1HG1 VAL 106 -1.094 21.726 -26.399 833 HG12 VAL 106 2HG1 VAL 106 0.267 22.021 -25.315 834 HG13 VAL 106 3HG1 VAL 106 -0.024 20.399 -25.946 835 HG21 VAL 106 3HG2 VAL 106 -1.830 18.913 -24.325 836 HG22 VAL 106 1HG2 VAL 106 -0.117 19.297 -24.151 837 HG23 VAL 106 2HG2 VAL 106 -1.227 19.586 -22.811 838 H GLU 107 H GLU 107 -0.354 20.620 -21.355 839 HA GLU 107 HA GLU 107 2.477 20.958 -21.900 840 HB2 GLU 107 1HB GLU 107 1.076 22.214 -19.591 841 HB3 GLU 107 2HB GLU 107 2.660 21.508 -19.301 842 HG2 GLU 107 1HG GLU 107 3.459 22.898 -21.279 843 HG3 GLU 107 2HG GLU 107 1.932 23.766 -21.130 844 H THR 108 H THR 108 3.793 19.420 -20.864 845 HA THR 108 HA THR 108 2.457 17.385 -19.241 846 HB THR 108 HB THR 108 3.188 15.546 -20.559 847 HG1 THR 108 HG1 THR 108 4.495 15.844 -22.405 848 HG21 THR 108 3HG2 THR 108 1.778 15.733 -22.369 849 HG22 THR 108 1HG2 THR 108 2.303 17.374 -22.746 850 HG23 THR 108 2HG2 THR 108 1.219 17.085 -21.384 851 H ASP 109 H ASP 109 3.670 16.809 -17.560 852 HA ASP 109 HA ASP 109 6.231 17.921 -17.119 853 HB2 ASP 109 1HB ASP 109 4.695 15.753 -15.683 854 HB3 ASP 109 2HB ASP 109 6.255 16.355 -15.127 855 H MET 110 H MET 110 8.249 17.123 -17.380 856 HA MET 110 HA MET 110 8.471 14.512 -18.718 857 HB2 MET 110 1HB MET 110 10.240 16.956 -18.815 858 HB3 MET 110 2HB MET 110 10.707 15.402 -19.493 859 HG2 MET 110 1HG MET 110 8.462 15.591 -20.784 860 HG3 MET 110 2HG MET 110 8.598 17.305 -20.398 861 HE1 MET 110 3HE MET 110 12.241 17.957 -21.888 862 HE2 MET 110 1HE MET 110 10.814 18.864 -21.387 863 HE3 MET 110 2HE MET 110 11.570 17.725 -20.273 Start of MODEL 8 1 H MET 1 H MET 1 3.191 -1.210 -1.924 2 HA MET 1 HA MET 1 1.416 0.233 -0.105 3 HB2 MET 1 1HB MET 1 3.910 1.296 -1.333 4 HB3 MET 1 2HB MET 1 2.517 2.367 -1.264 5 HG2 MET 1 1HG MET 1 3.601 2.872 0.692 6 HG3 MET 1 2HG MET 1 2.426 1.674 1.229 7 HE1 MET 1 3HE MET 1 6.621 1.390 0.089 8 HE2 MET 1 1HE MET 1 5.736 2.825 0.609 9 HE3 MET 1 2HE MET 1 6.704 1.917 1.770 10 H THR 2 H THR 2 0.022 1.790 -1.243 11 HA THR 2 HA THR 2 -0.518 0.888 -3.995 12 HB THR 2 HB THR 2 -2.571 2.272 -2.301 13 HG1 THR 2 HG1 THR 2 -3.034 0.436 -1.255 14 HG21 THR 2 3HG2 THR 2 -2.871 0.115 -4.387 15 HG22 THR 2 1HG2 THR 2 -2.890 1.838 -4.762 16 HG23 THR 2 2HG2 THR 2 -4.131 1.150 -3.714 17 H LEU 3 H LEU 3 -0.551 2.335 -5.615 18 HA LEU 3 HA LEU 3 -0.274 5.181 -4.901 19 HB2 LEU 3 1HB LEU 3 1.027 3.525 -7.025 20 HB3 LEU 3 2HB LEU 3 0.839 5.263 -7.247 21 HG LEU 3 HG LEU 3 3.060 4.761 -6.440 22 HD11 LEU 3 1HD1 LEU 3 2.987 6.667 -5.315 23 HD12 LEU 3 2HD1 LEU 3 2.261 5.849 -3.932 24 HD13 LEU 3 3HD1 LEU 3 1.233 6.520 -5.198 25 HD21 LEU 3 3HD2 LEU 3 2.143 2.640 -5.213 26 HD22 LEU 3 1HD2 LEU 3 1.987 3.747 -3.849 27 HD23 LEU 3 2HD2 LEU 3 3.563 3.485 -4.595 28 H CYS 4 H CYS 4 -1.431 6.697 -6.055 29 HA CYS 4 HA CYS 4 -3.159 5.804 -8.226 30 HB2 CYS 4 1HB CYS 4 -5.142 6.897 -7.141 31 HB3 CYS 4 2HB CYS 4 -4.590 5.431 -6.338 32 HG CYS 4 HG CYS 4 -3.338 6.744 -4.239 33 H ALA 5 H ALA 5 -3.864 7.462 -9.588 34 HA ALA 5 HA ALA 5 -2.389 9.980 -9.261 35 HB1 ALA 5 3HB ALA 5 -3.566 9.802 -11.836 36 HB2 ALA 5 1HB ALA 5 -1.858 9.737 -11.399 37 HB3 ALA 5 2HB ALA 5 -2.806 8.252 -11.474 38 H MET 6 H MET 6 -3.394 11.951 -9.314 39 HA MET 6 HA MET 6 -6.283 11.909 -8.900 40 HB2 MET 6 1HB MET 6 -4.190 14.033 -8.429 41 HB3 MET 6 2HB MET 6 -5.912 14.306 -8.201 42 HG2 MET 6 1HG MET 6 -4.610 12.020 -6.809 43 HG3 MET 6 2HG MET 6 -4.378 13.655 -6.192 44 HE1 MET 6 3HE MET 6 -5.513 11.763 -4.193 45 HE2 MET 6 1HE MET 6 -7.241 11.409 -4.213 46 HE3 MET 6 2HE MET 6 -6.172 10.657 -5.398 47 H TYR 7 H TYR 7 -7.461 12.070 -10.696 48 HA TYR 7 HA TYR 7 -6.503 13.733 -12.906 49 HB2 TYR 7 1HB TYR 7 -7.440 11.276 -13.081 50 HB3 TYR 7 2HB TYR 7 -8.999 12.091 -13.065 51 HD1 TYR 7 HD1 TYR 7 -8.988 14.265 -14.720 52 HD2 TYR 7 HD2 TYR 7 -6.623 10.756 -15.165 53 HE1 TYR 7 HE1 TYR 7 -8.781 14.718 -17.128 54 HE2 TYR 7 HE2 TYR 7 -6.408 11.200 -17.575 55 HH TYR 7 HH TYR 7 -8.068 13.939 -19.094 56 H ASN 8 H ASN 8 -7.057 15.808 -12.670 57 HA ASN 8 HA ASN 8 -9.656 16.503 -11.537 58 HB2 ASN 8 1HB ASN 8 -7.401 18.339 -12.369 59 HB3 ASN 8 2HB ASN 8 -8.809 18.770 -11.404 60 HD21 ASN 8 1HD2 ASN 8 -8.906 18.169 -9.260 61 HD22 ASN 8 2HD2 ASN 8 -7.531 17.580 -8.396 62 H ILE 9 H ILE 9 -11.276 16.453 -12.961 63 HA ILE 9 HA ILE 9 -10.822 17.618 -15.629 64 HB ILE 9 HB ILE 9 -11.428 15.247 -15.719 65 HG12 ILE 9 1HG1 ILE 9 -13.645 17.084 -16.651 66 HG13 ILE 9 2HG1 ILE 9 -12.158 16.738 -17.527 67 HG21 ILE 9 1HG2 ILE 9 -13.536 14.423 -14.922 68 HG22 ILE 9 2HG2 ILE 9 -12.709 15.228 -13.589 69 HG23 ILE 9 3HG2 ILE 9 -14.031 16.041 -14.425 70 HD11 ILE 9 3HD1 ILE 9 -13.354 14.259 -16.949 71 HD12 ILE 9 1HD1 ILE 9 -14.628 15.323 -17.545 72 HD13 ILE 9 2HD1 ILE 9 -13.180 15.050 -18.515 73 H SER 10 H SER 10 -11.922 19.390 -16.169 74 HA SER 10 HA SER 10 -14.359 20.064 -14.672 75 HB2 SER 10 1HB SER 10 -13.237 22.531 -15.157 76 HB3 SER 10 2HB SER 10 -13.187 21.677 -13.615 77 HG SER 10 HG SER 10 -11.145 21.127 -13.961 78 H MET 11 H MET 11 -15.688 19.556 -16.386 79 HA MET 11 HA MET 11 -15.313 20.146 -19.064 80 HB2 MET 11 1HB MET 11 -17.188 18.799 -17.834 81 HB3 MET 11 2HB MET 11 -18.046 20.334 -17.848 82 HG2 MET 11 1HG MET 11 -16.892 19.486 -20.419 83 HG3 MET 11 2HG MET 11 -18.212 18.498 -19.799 84 HE1 MET 11 3HE MET 11 -18.931 21.753 -22.487 85 HE2 MET 11 1HE MET 11 -17.302 21.327 -21.961 86 HE3 MET 11 2HE MET 11 -18.381 20.079 -22.584 87 H ALA 12 H ALA 12 -16.191 21.798 -20.424 88 HA ALA 12 HA ALA 12 -15.613 24.390 -19.680 89 HB1 ALA 12 3HB ALA 12 -16.001 23.421 -22.015 90 HB2 ALA 12 1HB ALA 12 -17.706 23.777 -21.741 91 HB3 ALA 12 2HB ALA 12 -16.518 25.081 -21.723 92 H GLY 13 H GLY 13 -16.491 25.446 -18.011 93 HA2 GLY 13 1HA GLY 13 -18.141 26.711 -16.965 94 HA3 GLY 13 2HA GLY 13 -19.331 26.008 -18.050 95 H SER 14 H SER 14 -17.055 24.442 -15.818 96 HA SER 14 HA SER 14 -19.208 23.685 -14.033 97 HB2 SER 14 1HB SER 14 -19.572 21.839 -15.378 98 HB3 SER 14 2HB SER 14 -17.892 21.764 -15.910 99 HG SER 14 HG SER 14 -18.004 20.132 -14.509 100 H HIS 15 H HIS 15 -18.466 22.768 -12.052 101 HA HIS 15 HA HIS 15 -16.011 23.847 -11.150 102 HB2 HIS 15 1HB HIS 15 -18.156 22.149 -9.976 103 HB3 HIS 15 2HB HIS 15 -16.596 22.168 -9.159 104 HD1 HIS 15 HD1 HIS 15 -19.692 24.066 -9.525 105 HD2 HIS 15 HD2 HIS 15 -15.799 24.834 -8.296 106 HE1 HIS 15 HE1 HIS 15 -19.799 26.245 -8.276 107 HA PRO 16 HA PRO 16 -13.063 20.683 -11.880 108 HB2 PRO 16 1HB PRO 16 -11.607 20.690 -9.589 109 HB3 PRO 16 2HB PRO 16 -11.524 21.990 -10.784 110 HG2 PRO 16 1HG PRO 16 -13.059 21.872 -8.216 111 HG3 PRO 16 2HG PRO 16 -12.116 23.212 -8.896 112 HD2 PRO 16 1HD PRO 16 -14.816 23.095 -9.068 113 HD3 PRO 16 2HD PRO 16 -13.810 23.845 -10.325 114 H THR 17 H THR 17 -13.474 18.573 -11.962 115 HA THR 17 HA THR 17 -14.631 17.242 -9.617 116 HB THR 17 HB THR 17 -14.484 16.346 -12.501 117 HG1 THR 17 HG1 THR 17 -16.785 16.954 -10.947 118 HG21 THR 17 3HG2 THR 17 -16.292 14.705 -11.349 119 HG22 THR 17 1HG2 THR 17 -15.166 14.917 -10.009 120 HG23 THR 17 2HG2 THR 17 -14.590 14.292 -11.554 121 H THR 18 H THR 18 -13.216 16.283 -8.320 122 HA THR 18 HA THR 18 -10.620 15.448 -9.268 123 HB THR 18 HB THR 18 -11.595 14.741 -6.536 124 HG1 THR 18 HG1 THR 18 -12.117 16.765 -6.206 125 HG21 THR 18 3HG2 THR 18 -9.378 14.115 -6.864 126 HG22 THR 18 1HG2 THR 18 -9.225 15.684 -6.074 127 HG23 THR 18 2HG2 THR 18 -9.010 15.551 -7.819 128 H ILE 19 H ILE 19 -10.540 13.625 -10.429 129 HA ILE 19 HA ILE 19 -12.135 11.319 -9.542 130 HB ILE 19 HB ILE 19 -10.735 11.609 -12.195 131 HG12 ILE 19 1HG1 ILE 19 -13.619 12.227 -11.518 132 HG13 ILE 19 2HG1 ILE 19 -12.386 13.418 -11.916 133 HG21 ILE 19 1HG2 ILE 19 -11.824 9.698 -12.852 134 HG22 ILE 19 2HG2 ILE 19 -11.551 9.352 -11.145 135 HG23 ILE 19 3HG2 ILE 19 -13.132 9.913 -11.689 136 HD11 ILE 19 3HD1 ILE 19 -13.950 12.846 -13.771 137 HD12 ILE 19 1HD1 ILE 19 -12.241 12.632 -14.151 138 HD13 ILE 19 2HD1 ILE 19 -13.246 11.229 -13.785 139 H CYS 20 H CYS 20 -11.003 10.071 -8.197 140 HA CYS 20 HA CYS 20 -8.134 9.851 -8.374 141 HB2 CYS 20 1HB CYS 20 -10.013 8.256 -6.625 142 HB3 CYS 20 2HB CYS 20 -8.286 8.495 -6.391 143 HG CYS 20 HG CYS 20 -10.823 10.689 -5.834 144 H VAL 21 H VAL 21 -7.037 8.397 -9.508 145 HA VAL 21 HA VAL 21 -8.419 5.934 -10.353 146 HB VAL 21 HB VAL 21 -6.361 7.399 -12.005 147 HG11 VAL 21 1HG1 VAL 21 -6.409 5.080 -12.537 148 HG12 VAL 21 2HG1 VAL 21 -8.174 5.055 -12.545 149 HG13 VAL 21 3HG1 VAL 21 -7.297 5.922 -13.806 150 HG21 VAL 21 3HG2 VAL 21 -8.196 8.860 -12.005 151 HG22 VAL 21 1HG2 VAL 21 -8.392 7.901 -13.472 152 HG23 VAL 21 2HG2 VAL 21 -9.362 7.537 -12.045 153 H VAL 22 H VAL 22 -7.131 4.064 -10.577 154 HA VAL 22 HA VAL 22 -5.093 3.788 -8.635 155 HB VAL 22 HB VAL 22 -5.584 1.870 -10.908 156 HG11 VAL 22 1HG1 VAL 22 -5.140 0.415 -8.647 157 HG12 VAL 22 2HG1 VAL 22 -3.904 0.842 -9.832 158 HG13 VAL 22 3HG1 VAL 22 -4.108 1.819 -8.377 159 HG21 VAL 22 3HG2 VAL 22 -7.076 0.878 -8.878 160 HG22 VAL 22 1HG2 VAL 22 -7.325 2.610 -8.656 161 HG23 VAL 22 2HG2 VAL 22 -7.722 1.853 -10.198 162 H MET 23 H MET 23 -2.877 3.211 -8.947 163 HA MET 23 HA MET 23 -1.494 4.880 -10.728 164 HB2 MET 23 1HB MET 23 -0.406 4.199 -8.717 165 HB3 MET 23 2HB MET 23 -0.607 2.496 -9.106 166 HG2 MET 23 1HG MET 23 1.692 3.240 -9.424 167 HG3 MET 23 2HG MET 23 0.963 2.694 -10.933 168 HE1 MET 23 3HE MET 23 3.358 4.338 -12.041 169 HE2 MET 23 1HE MET 23 3.593 5.850 -11.164 170 HE3 MET 23 2HE MET 23 3.536 4.321 -10.286 171 H ASP 24 H ASP 24 -2.922 1.819 -11.192 172 HA ASP 24 HA ASP 24 -1.380 1.405 -13.667 173 HB2 ASP 24 1HB ASP 24 -1.396 -0.423 -11.890 174 HB3 ASP 24 2HB ASP 24 -3.095 -0.661 -12.291 175 H ARG 25 H ARG 25 -4.099 2.833 -12.726 176 HA ARG 25 HA ARG 25 -5.609 1.954 -15.101 177 HB2 ARG 25 1HB ARG 25 -6.691 1.393 -12.916 178 HB3 ARG 25 2HB ARG 25 -6.766 3.114 -12.563 179 HG2 ARG 25 1HG ARG 25 -8.898 2.318 -13.382 180 HG3 ARG 25 2HG ARG 25 -8.183 3.452 -14.529 181 HD2 ARG 25 1HD ARG 25 -9.161 1.518 -15.665 182 HD3 ARG 25 2HD ARG 25 -7.416 1.599 -15.907 183 HE ARG 25 HE ARG 25 -7.866 -0.034 -13.706 184 HH11 ARG 25 1HH1 ARG 25 -8.567 -0.019 -17.116 185 HH12 ARG 25 2HH1 ARG 25 -8.561 -1.746 -17.257 186 HH21 ARG 25 1HH2 ARG 25 -7.856 -2.308 -13.879 187 HH22 ARG 25 2HH2 ARG 25 -8.158 -3.047 -15.415 188 H PHE 26 H PHE 26 -3.967 4.483 -13.603 189 HA PHE 26 HA PHE 26 -5.350 6.773 -14.247 190 HB2 PHE 26 1HB PHE 26 -3.278 7.940 -14.146 191 HB3 PHE 26 2HB PHE 26 -3.139 6.592 -13.022 192 HD1 PHE 26 HD2 PHE 26 -2.086 4.411 -14.042 193 HD2 PHE 26 HD1 PHE 26 -1.570 8.325 -15.631 194 HE1 PHE 26 HE2 PHE 26 -0.034 3.674 -15.181 195 HE2 PHE 26 HE1 PHE 26 0.483 7.595 -16.773 196 HZ PHE 26 HZ PHE 26 1.254 5.267 -16.548 197 H LEU 27 H LEU 27 -3.409 4.720 -16.346 198 HA LEU 27 HA LEU 27 -3.391 6.428 -18.595 199 HB2 LEU 27 1HB LEU 27 -2.149 4.125 -17.972 200 HB3 LEU 27 2HB LEU 27 -3.400 3.510 -19.049 201 HG LEU 27 HG LEU 27 -1.471 5.695 -19.815 202 HD11 LEU 27 1HD1 LEU 27 -0.042 4.143 -20.761 203 HD12 LEU 27 2HD1 LEU 27 -1.255 2.863 -20.751 204 HD13 LEU 27 3HD1 LEU 27 -0.491 3.366 -19.243 205 HD21 LEU 27 3HD2 LEU 27 -2.515 4.117 -21.961 206 HD22 LEU 27 1HD2 LEU 27 -2.667 5.851 -21.676 207 HD23 LEU 27 2HD2 LEU 27 -3.845 4.736 -20.982 208 H GLU 28 H GLU 28 -5.414 3.588 -17.849 209 HA GLU 28 HA GLU 28 -7.052 3.645 -20.075 210 HB2 GLU 28 1HB GLU 28 -6.948 1.951 -18.125 211 HB3 GLU 28 2HB GLU 28 -8.131 2.993 -17.346 212 HG2 GLU 28 1HG GLU 28 -9.448 1.405 -18.372 213 HG3 GLU 28 2HG GLU 28 -9.470 2.732 -19.532 214 H SER 29 H SER 29 -7.392 5.419 -17.029 215 HA SER 29 HA SER 29 -9.888 6.591 -17.580 216 HB2 SER 29 1HB SER 29 -7.612 7.514 -15.815 217 HB3 SER 29 2HB SER 29 -9.197 8.285 -15.852 218 HG SER 29 HG SER 29 -9.870 6.778 -14.571 219 H PHE 30 H PHE 30 -6.589 7.847 -18.026 220 HA PHE 30 HA PHE 30 -7.315 10.324 -19.118 221 HB2 PHE 30 1HB PHE 30 -5.019 9.579 -18.288 222 HB3 PHE 30 2HB PHE 30 -4.816 8.805 -19.856 223 HD1 PHE 30 HD2 PHE 30 -5.100 10.297 -21.934 224 HD2 PHE 30 HD1 PHE 30 -4.455 11.804 -18.005 225 HE1 PHE 30 HE2 PHE 30 -4.314 12.427 -22.883 226 HE2 PHE 30 HE1 PHE 30 -3.669 13.936 -18.949 227 HZ PHE 30 HZ PHE 30 -3.596 14.249 -21.390 228 H SER 31 H SER 31 -6.658 7.206 -20.657 229 HA SER 31 HA SER 31 -6.764 8.041 -23.322 230 HB2 SER 31 1HB SER 31 -5.938 5.851 -22.849 231 HB3 SER 31 2HB SER 31 -7.432 5.392 -22.031 232 HG SER 31 HG SER 31 -8.315 4.956 -23.895 233 H GLU 32 H GLU 32 -9.353 6.726 -21.261 234 HA GLU 32 HA GLU 32 -11.394 6.993 -23.201 235 HB2 GLU 32 1HB GLU 32 -11.409 5.563 -21.082 236 HB3 GLU 32 2HB GLU 32 -11.826 7.036 -20.219 237 HG2 GLU 32 1HG GLU 32 -13.894 6.142 -20.586 238 HG3 GLU 32 2HG GLU 32 -13.732 7.196 -21.990 239 H LEU 33 H LEU 33 -10.023 9.178 -20.855 240 HA LEU 33 HA LEU 33 -12.092 11.094 -20.809 241 HB2 LEU 33 1HB LEU 33 -9.992 10.813 -19.305 242 HB3 LEU 33 2HB LEU 33 -9.207 11.827 -20.513 243 HG LEU 33 HG LEU 33 -9.966 13.103 -18.555 244 HD11 LEU 33 1HD1 LEU 33 -11.797 14.113 -20.612 245 HD12 LEU 33 2HD1 LEU 33 -10.153 13.799 -21.168 246 HD13 LEU 33 3HD1 LEU 33 -10.432 14.898 -19.817 247 HD21 LEU 33 3HD2 LEU 33 -12.762 13.191 -19.120 248 HD22 LEU 33 1HD2 LEU 33 -11.945 12.750 -17.620 249 HD23 LEU 33 2HD2 LEU 33 -12.282 11.517 -18.836 250 H TYR 34 H TYR 34 -9.149 10.836 -22.778 251 HA TYR 34 HA TYR 34 -9.407 13.227 -24.190 252 HB2 TYR 34 1HB TYR 34 -7.348 12.088 -24.386 253 HB3 TYR 34 2HB TYR 34 -8.128 10.589 -24.880 254 HD1 TYR 34 HD1 TYR 34 -8.043 14.141 -26.068 255 HD2 TYR 34 HD2 TYR 34 -7.804 10.015 -27.082 256 HE1 TYR 34 HE1 TYR 34 -7.696 14.747 -28.426 257 HE2 TYR 34 HE2 TYR 34 -7.455 10.610 -29.443 258 HH TYR 34 HH TYR 34 -7.985 13.735 -30.648 259 H ASP 35 H ASP 35 -11.211 10.315 -24.401 260 HA ASP 35 HA ASP 35 -12.225 10.873 -27.065 261 HB2 ASP 35 1HB ASP 35 -12.255 8.604 -25.216 262 HB3 ASP 35 2HB ASP 35 -13.798 8.857 -26.029 263 H ILE 36 H ILE 36 -13.747 10.355 -23.877 264 HA ILE 36 HA ILE 36 -16.263 11.337 -24.542 265 HB ILE 36 HB ILE 36 -15.901 10.103 -22.488 266 HG12 ILE 36 1HG1 ILE 36 -16.798 12.925 -21.868 267 HG13 ILE 36 2HG1 ILE 36 -17.803 11.696 -22.627 268 HG21 ILE 36 1HG2 ILE 36 -13.631 11.155 -22.074 269 HG22 ILE 36 2HG2 ILE 36 -14.501 12.503 -21.343 270 HG23 ILE 36 3HG2 ILE 36 -14.643 10.886 -20.654 271 HD11 ILE 36 3HD1 ILE 36 -18.316 10.786 -20.672 272 HD12 ILE 36 1HD1 ILE 36 -16.633 10.768 -20.148 273 HD13 ILE 36 2HD1 ILE 36 -17.608 12.221 -19.932 274 H ILE 37 H ILE 37 -13.401 13.037 -23.369 275 HA ILE 37 HA ILE 37 -14.473 15.516 -22.793 276 HB ILE 37 HB ILE 37 -12.086 14.826 -22.455 277 HG12 ILE 37 1HG1 ILE 37 -11.221 17.188 -23.296 278 HG13 ILE 37 2HG1 ILE 37 -12.935 17.455 -23.592 279 HG21 ILE 37 1HG2 ILE 37 -10.513 14.888 -24.184 280 HG22 ILE 37 2HG2 ILE 37 -11.891 14.037 -24.882 281 HG23 ILE 37 3HG2 ILE 37 -11.612 15.733 -25.275 282 HD11 ILE 37 3HD1 ILE 37 -12.037 18.237 -21.372 283 HD12 ILE 37 1HD1 ILE 37 -13.465 17.204 -21.314 284 HD13 ILE 37 2HD1 ILE 37 -11.876 16.535 -20.940 285 H ASP 38 H ASP 38 -13.869 14.041 -25.894 286 HA ASP 38 HA ASP 38 -13.892 16.272 -27.555 287 HB2 ASP 38 1HB ASP 38 -13.392 13.927 -28.265 288 HB3 ASP 38 2HB ASP 38 -15.117 13.578 -28.179 289 H GLU 39 H GLU 39 -16.470 14.758 -25.808 290 HA GLU 39 HA GLU 39 -18.444 16.422 -27.218 291 HB2 GLU 39 1HB GLU 39 -18.877 14.021 -25.431 292 HB3 GLU 39 2HB GLU 39 -20.145 14.934 -26.236 293 HG2 GLU 39 1HG GLU 39 -17.939 13.649 -27.795 294 HG3 GLU 39 2HG GLU 39 -19.357 12.733 -27.286 295 H ASN 40 H ASN 40 -20.422 16.695 -25.449 296 HA ASN 40 HA ASN 40 -19.195 17.989 -23.105 297 HB2 ASN 40 1HB ASN 40 -20.538 19.897 -23.344 298 HB3 ASN 40 2HB ASN 40 -20.036 19.536 -24.994 299 HD21 ASN 40 1HD2 ASN 40 -22.540 20.583 -23.317 300 HD22 ASN 40 2HD2 ASN 40 -23.853 19.946 -24.243 301 H ASP 41 H ASP 41 -20.491 15.342 -23.481 302 HA ASP 41 HA ASP 41 -23.077 15.357 -22.353 303 HB2 ASP 41 1HB ASP 41 -21.134 13.084 -22.019 304 HB3 ASP 41 2HB ASP 41 -22.883 13.016 -22.215 305 H THR 42 H THR 42 -23.382 16.412 -20.474 306 HA THR 42 HA THR 42 -21.477 16.190 -18.303 307 HB THR 42 HB THR 42 -24.150 17.469 -17.933 308 HG1 THR 42 HG1 THR 42 -22.009 18.602 -19.441 309 HG21 THR 42 3HG2 THR 42 -22.716 17.559 -16.048 310 HG22 THR 42 1HG2 THR 42 -22.653 19.161 -16.781 311 HG23 THR 42 2HG2 THR 42 -21.330 18.023 -17.034 312 H ASP 43 H ASP 43 -24.553 14.840 -19.221 313 HA ASP 43 HA ASP 43 -25.256 13.828 -16.650 314 HB2 ASP 43 1HB ASP 43 -27.013 14.133 -18.244 315 HB3 ASP 43 2HB ASP 43 -26.186 13.137 -19.439 316 H VAL 44 H VAL 44 -23.188 12.751 -19.202 317 HA VAL 44 HA VAL 44 -23.075 10.018 -18.219 318 HB VAL 44 HB VAL 44 -21.452 11.339 -20.399 319 HG11 VAL 44 1HG1 VAL 44 -20.192 9.498 -19.998 320 HG12 VAL 44 2HG1 VAL 44 -21.526 8.609 -19.261 321 HG13 VAL 44 3HG1 VAL 44 -21.416 8.740 -21.016 322 HG21 VAL 44 3HG2 VAL 44 -24.172 10.679 -20.381 323 HG22 VAL 44 1HG2 VAL 44 -23.175 11.083 -21.779 324 HG23 VAL 44 2HG2 VAL 44 -23.376 9.399 -21.297 325 H MET 45 H MET 45 -21.447 12.993 -17.741 326 HA MET 45 HA MET 45 -18.854 12.239 -17.153 327 HB2 MET 45 1HB MET 45 -20.643 14.404 -16.108 328 HB3 MET 45 2HB MET 45 -19.052 14.170 -15.396 329 HG2 MET 45 1HG MET 45 -18.250 14.256 -17.878 330 HG3 MET 45 2HG MET 45 -19.789 15.075 -18.134 331 HE1 MET 45 3HE MET 45 -17.362 15.814 -14.712 332 HE2 MET 45 1HE MET 45 -16.789 14.746 -15.993 333 HE3 MET 45 2HE MET 45 -16.130 16.375 -15.843 334 H MET 46 H MET 46 -21.619 12.400 -14.909 335 HA MET 46 HA MET 46 -20.364 11.550 -12.604 336 HB2 MET 46 1HB MET 46 -22.618 10.654 -11.937 337 HB3 MET 46 2HB MET 46 -22.617 12.324 -12.486 338 HG2 MET 46 1HG MET 46 -23.329 11.486 -14.736 339 HG3 MET 46 2HG MET 46 -23.532 9.897 -14.002 340 HE1 MET 46 3HE MET 46 -24.697 10.488 -11.149 341 HE2 MET 46 1HE MET 46 -26.427 10.439 -11.487 342 HE3 MET 46 2HE MET 46 -25.346 9.280 -12.259 343 H ASP 47 H ASP 47 -21.878 9.551 -15.122 344 HA ASP 47 HA ASP 47 -21.406 7.060 -13.930 345 HB2 ASP 47 1HB ASP 47 -21.960 8.000 -16.708 346 HB3 ASP 47 2HB ASP 47 -21.389 6.348 -16.489 347 H PHE 48 H PHE 48 -19.392 9.062 -16.014 348 HA PHE 48 HA PHE 48 -17.357 7.144 -16.451 349 HB2 PHE 48 1HB PHE 48 -17.455 8.996 -17.941 350 HB3 PHE 48 2HB PHE 48 -17.395 10.155 -16.618 351 HD1 PHE 48 HD2 PHE 48 -15.441 7.787 -18.629 352 HD2 PHE 48 HD1 PHE 48 -15.323 10.793 -15.618 353 HE1 PHE 48 HE2 PHE 48 -12.996 7.920 -18.864 354 HE2 PHE 48 HE1 PHE 48 -12.877 10.932 -15.849 355 HZ PHE 48 HZ PHE 48 -11.710 9.494 -17.472 356 H ILE 49 H ILE 49 -17.512 9.922 -14.224 357 HA ILE 49 HA ILE 49 -15.090 9.527 -12.930 358 HB ILE 49 HB ILE 49 -17.650 10.595 -11.734 359 HG12 ILE 49 1HG1 ILE 49 -15.489 12.438 -12.517 360 HG13 ILE 49 2HG1 ILE 49 -16.269 11.611 -13.862 361 HG21 ILE 49 1HG2 ILE 49 -16.257 10.149 -9.914 362 HG22 ILE 49 2HG2 ILE 49 -14.804 10.624 -10.792 363 HG23 ILE 49 3HG2 ILE 49 -15.959 11.850 -10.272 364 HD11 ILE 49 3HD1 ILE 49 -17.284 13.782 -13.375 365 HD12 ILE 49 1HD1 ILE 49 -18.424 12.453 -13.165 366 HD13 ILE 49 2HD1 ILE 49 -17.692 13.219 -11.755 367 H SER 50 H SER 50 -18.274 8.158 -12.190 368 HA SER 50 HA SER 50 -17.360 6.731 -9.885 369 HB2 SER 50 1HB SER 50 -19.635 7.128 -9.755 370 HB3 SER 50 2HB SER 50 -19.893 6.825 -11.473 371 HG SER 50 HG SER 50 -20.300 5.157 -9.503 372 H ARG 51 H ARG 51 -17.564 6.073 -13.293 373 HA ARG 51 HA ARG 51 -17.409 3.255 -13.185 374 HB2 ARG 51 1HB ARG 51 -18.101 4.307 -15.224 375 HB3 ARG 51 2HB ARG 51 -16.611 5.235 -15.318 376 HG2 ARG 51 1HG ARG 51 -16.570 3.422 -16.911 377 HG3 ARG 51 2HG ARG 51 -15.353 3.157 -15.661 378 HD2 ARG 51 1HD ARG 51 -16.636 1.484 -14.618 379 HD3 ARG 51 2HD ARG 51 -18.096 1.946 -15.493 380 HE ARG 51 HE ARG 51 -16.447 1.188 -17.478 381 HH11 ARG 51 1HH1 ARG 51 -17.360 -0.321 -14.476 382 HH12 ARG 51 2HH1 ARG 51 -17.182 -1.934 -15.082 383 HH21 ARG 51 1HH2 ARG 51 -16.209 -0.931 -18.287 384 HH22 ARG 51 2HH2 ARG 51 -16.526 -2.280 -17.250 385 H PHE 52 H PHE 52 -14.907 5.751 -13.565 386 HA PHE 52 HA PHE 52 -12.802 3.762 -13.384 387 HB2 PHE 52 1HB PHE 52 -12.930 6.682 -13.986 388 HB3 PHE 52 2HB PHE 52 -11.412 6.024 -13.384 389 HD1 PHE 52 HD2 PHE 52 -10.642 3.804 -14.614 390 HD2 PHE 52 HD1 PHE 52 -13.258 6.734 -16.252 391 HE1 PHE 52 HE2 PHE 52 -10.074 3.038 -16.883 392 HE2 PHE 52 HE1 PHE 52 -12.696 5.973 -18.523 393 HZ PHE 52 HZ PHE 52 -11.101 4.123 -18.841 394 H ALA 53 H ALA 53 -13.692 6.708 -11.580 395 HA ALA 53 HA ALA 53 -11.973 6.030 -9.381 396 HB1 ALA 53 3HB ALA 53 -12.155 8.201 -8.973 397 HB2 ALA 53 1HB ALA 53 -13.325 8.342 -10.285 398 HB3 ALA 53 2HB ALA 53 -13.877 8.014 -8.642 399 H ARG 54 H ARG 54 -12.562 5.369 -7.319 400 HA ARG 54 HA ARG 54 -15.066 3.885 -7.195 401 HB2 ARG 54 1HB ARG 54 -12.722 3.001 -6.512 402 HB3 ARG 54 2HB ARG 54 -12.982 3.919 -5.034 403 HG2 ARG 54 1HG ARG 54 -14.809 2.598 -4.400 404 HG3 ARG 54 2HG ARG 54 -14.980 1.912 -6.017 405 HD2 ARG 54 1HD ARG 54 -13.959 0.381 -4.311 406 HD3 ARG 54 2HD ARG 54 -12.999 0.623 -5.770 407 HE ARG 54 HE ARG 54 -12.303 2.419 -3.646 408 HH11 ARG 54 1HH1 ARG 54 -11.798 -0.763 -4.965 409 HH12 ARG 54 2HH1 ARG 54 -10.239 -0.960 -4.237 410 HH21 ARG 54 1HH2 ARG 54 -10.250 2.172 -2.682 411 HH22 ARG 54 2HH2 ARG 54 -9.359 0.710 -2.938 412 H THR 55 H THR 55 -16.788 4.516 -6.065 413 HA THR 55 HA THR 55 -16.793 7.067 -4.760 414 HB THR 55 HB THR 55 -19.174 6.586 -4.282 415 HG1 THR 55 HG1 THR 55 -20.040 4.632 -4.764 416 HG21 THR 55 3HG2 THR 55 -19.406 5.815 -6.982 417 HG22 THR 55 1HG2 THR 55 -17.932 6.776 -6.861 418 HG23 THR 55 2HG2 THR 55 -19.470 7.446 -6.316 419 H ASP 56 H ASP 56 -15.057 6.284 -3.208 420 HA ASP 56 HA ASP 56 -16.280 5.821 -0.664 421 HB2 ASP 56 1HB ASP 56 -14.843 3.609 -2.055 422 HB3 ASP 56 2HB ASP 56 -14.592 3.794 -0.321 423 H GLU 57 H GLU 57 -14.922 6.334 1.062 424 HA GLU 57 HA GLU 57 -12.516 7.792 0.283 425 HB2 GLU 57 1HB GLU 57 -14.323 8.805 1.747 426 HB3 GLU 57 2HB GLU 57 -13.797 7.703 3.012 427 HG2 GLU 57 1HG GLU 57 -12.450 9.367 3.626 428 HG3 GLU 57 2HG GLU 57 -11.443 8.845 2.277 429 H ILE 58 H ILE 58 -12.293 5.007 0.153 430 HA ILE 58 HA ILE 58 -10.856 4.189 2.557 431 HB ILE 58 HB ILE 58 -11.455 2.629 0.040 432 HG12 ILE 58 1HG1 ILE 58 -12.757 2.549 2.771 433 HG13 ILE 58 2HG1 ILE 58 -13.477 3.217 1.310 434 HG21 ILE 58 1HG2 ILE 58 -10.808 0.666 1.377 435 HG22 ILE 58 2HG2 ILE 58 -9.472 1.793 1.147 436 HG23 ILE 58 3HG2 ILE 58 -10.324 1.741 2.690 437 HD11 ILE 58 3HD1 ILE 58 -12.700 0.588 0.695 438 HD12 ILE 58 1HD1 ILE 58 -13.500 0.534 2.265 439 HD13 ILE 58 2HD1 ILE 58 -14.332 1.230 0.874 440 H MET 59 H MET 59 -8.788 4.736 2.720 441 HA MET 59 HA MET 59 -6.995 4.222 0.491 442 HB2 MET 59 1HB MET 59 -5.909 6.480 0.798 443 HB3 MET 59 2HB MET 59 -7.490 6.502 0.029 444 HG2 MET 59 1HG MET 59 -8.531 7.394 1.906 445 HG3 MET 59 2HG MET 59 -7.210 6.926 2.975 446 HE1 MET 59 3HE MET 59 -7.847 11.022 2.043 447 HE2 MET 59 1HE MET 59 -8.941 9.751 1.497 448 HE3 MET 59 2HE MET 59 -8.444 9.819 3.187 449 HA PRO 60 HA PRO 60 -5.373 3.089 4.704 450 HB2 PRO 60 1HB PRO 60 -4.672 0.557 4.019 451 HB3 PRO 60 2HB PRO 60 -6.289 0.985 4.591 452 HG2 PRO 60 1HG PRO 60 -5.319 0.571 1.789 453 HG3 PRO 60 2HG PRO 60 -6.825 0.019 2.544 454 HD2 PRO 60 1HD PRO 60 -6.714 2.194 0.936 455 HD3 PRO 60 2HD PRO 60 -7.849 2.069 2.295 456 H GLU 61 H GLU 61 -4.111 2.357 1.468 457 HA GLU 61 HA GLU 61 -1.486 3.321 2.339 458 HB2 GLU 61 1HB GLU 61 -2.092 0.644 1.126 459 HB3 GLU 61 2HB GLU 61 -0.535 1.411 0.846 460 HG2 GLU 61 1HG GLU 61 -0.258 1.569 3.323 461 HG3 GLU 61 2HG GLU 61 -1.719 0.596 3.485 462 H ASP 62 H ASP 62 -3.713 4.354 0.665 463 HA ASP 62 HA ASP 62 -2.594 4.370 -2.020 464 HB2 ASP 62 1HB ASP 62 -5.124 5.407 -0.783 465 HB3 ASP 62 2HB ASP 62 -4.608 5.993 -2.362 466 H LYS 63 H LYS 63 -1.185 5.835 -2.692 467 HA LYS 63 HA LYS 63 -1.121 8.457 -1.354 468 HB2 LYS 63 1HB LYS 63 0.789 6.768 -0.821 469 HB3 LYS 63 2HB LYS 63 1.369 7.174 -2.430 470 HG2 LYS 63 1HG LYS 63 1.685 9.447 -1.841 471 HG3 LYS 63 2HG LYS 63 0.816 9.240 -0.318 472 HD2 LYS 63 1HD LYS 63 3.298 7.664 -0.913 473 HD3 LYS 63 2HD LYS 63 3.393 9.304 -0.268 474 HE2 LYS 63 1HE LYS 63 2.182 8.679 1.691 475 HE3 LYS 63 2HE LYS 63 1.790 7.099 1.014 476 HZ1 LYS 63 3HZ LYS 63 4.499 7.164 0.929 477 HZ2 LYS 63 1HZ LYS 63 3.574 6.398 2.121 478 HZ3 LYS 63 2HZ LYS 63 4.161 7.963 2.381 479 H THR 64 H THR 64 -0.323 10.214 -2.650 480 HA THR 64 HA THR 64 -1.317 10.160 -5.309 481 HB THR 64 HB THR 64 0.553 12.316 -4.421 482 HG1 THR 64 HG1 THR 64 -0.849 13.078 -2.951 483 HG21 THR 64 3HG2 THR 64 -1.913 12.075 -6.100 484 HG22 THR 64 1HG2 THR 64 -0.356 12.801 -6.497 485 HG23 THR 64 2HG2 THR 64 -1.467 13.636 -5.410 486 H VAL 65 H VAL 65 -0.344 9.536 -7.117 487 HA VAL 65 HA VAL 65 2.600 9.366 -7.139 488 HB VAL 65 HB VAL 65 1.505 7.157 -7.231 489 HG11 VAL 65 1HG1 VAL 65 -0.147 6.603 -8.657 490 HG12 VAL 65 2HG1 VAL 65 -0.405 8.347 -8.731 491 HG13 VAL 65 3HG1 VAL 65 0.539 7.541 -9.983 492 HG21 VAL 65 3HG2 VAL 65 2.886 6.278 -8.891 493 HG22 VAL 65 1HG2 VAL 65 2.693 7.689 -9.932 494 HG23 VAL 65 2HG2 VAL 65 3.672 7.799 -8.469 495 H GLY 66 H GLY 66 -0.193 10.677 -8.625 496 HA2 GLY 66 1HA GLY 66 1.388 12.284 -10.389 497 HA3 GLY 66 2HA GLY 66 0.492 11.047 -11.258 498 H PHE 67 H PHE 67 0.027 13.676 -11.809 499 HA PHE 67 HA PHE 67 -2.754 13.928 -10.991 500 HB2 PHE 67 1HB PHE 67 -2.534 16.279 -10.366 501 HB3 PHE 67 2HB PHE 67 -1.515 15.274 -9.340 502 HD1 PHE 67 HD2 PHE 67 -1.509 17.630 -12.176 503 HD2 PHE 67 HD1 PHE 67 0.832 15.548 -9.295 504 HE1 PHE 67 HE2 PHE 67 0.436 19.020 -12.757 505 HE2 PHE 67 HE1 PHE 67 2.781 16.935 -9.871 506 HZ PHE 67 HZ PHE 67 2.585 18.673 -11.605 507 H VAL 68 H VAL 68 -4.044 14.973 -12.483 508 HA VAL 68 HA VAL 68 -2.718 15.983 -14.908 509 HB VAL 68 HB VAL 68 -5.161 14.206 -14.889 510 HG11 VAL 68 1HG1 VAL 68 -3.559 15.288 -17.204 511 HG12 VAL 68 2HG1 VAL 68 -4.982 14.249 -17.305 512 HG13 VAL 68 3HG1 VAL 68 -5.132 15.894 -16.685 513 HG21 VAL 68 3HG2 VAL 68 -2.263 13.659 -15.327 514 HG22 VAL 68 1HG2 VAL 68 -3.478 12.695 -14.488 515 HG23 VAL 68 2HG2 VAL 68 -3.457 12.748 -16.251 516 H VAL 69 H VAL 69 -3.286 18.019 -15.244 517 HA VAL 69 HA VAL 69 -5.741 19.063 -14.071 518 HB VAL 69 HB VAL 69 -3.567 20.550 -15.551 519 HG11 VAL 69 1HG1 VAL 69 -5.276 22.049 -15.603 520 HG12 VAL 69 2HG1 VAL 69 -6.078 21.354 -14.193 521 HG13 VAL 69 3HG1 VAL 69 -4.670 22.395 -13.984 522 HG21 VAL 69 3HG2 VAL 69 -2.580 19.576 -13.611 523 HG22 VAL 69 1HG2 VAL 69 -2.888 21.274 -13.246 524 HG23 VAL 69 2HG2 VAL 69 -3.960 20.026 -12.609 525 H VAL 70 H VAL 70 -7.551 19.023 -15.216 526 HA VAL 70 HA VAL 70 -7.405 19.573 -18.105 527 HB VAL 70 HB VAL 70 -9.194 17.528 -16.784 528 HG11 VAL 70 1HG1 VAL 70 -9.854 17.005 -19.138 529 HG12 VAL 70 2HG1 VAL 70 -10.404 18.578 -18.558 530 HG13 VAL 70 3HG1 VAL 70 -9.014 18.472 -19.640 531 HG21 VAL 70 3HG2 VAL 70 -7.861 16.120 -18.600 532 HG22 VAL 70 1HG2 VAL 70 -6.646 17.361 -18.295 533 HG23 VAL 70 2HG2 VAL 70 -7.242 16.366 -16.967 534 H ASN 71 H ASN 71 -8.323 21.501 -18.373 535 HA ASN 71 HA ASN 71 -10.931 21.983 -17.106 536 HB2 ASN 71 1HB ASN 71 -8.710 24.021 -17.382 537 HB3 ASN 71 2HB ASN 71 -10.322 24.337 -16.745 538 HD21 ASN 71 1HD2 ASN 71 -10.297 24.535 -14.638 539 HD22 ASN 71 2HD2 ASN 71 -9.338 23.613 -13.534 540 H ALA 72 H ALA 72 -12.279 21.865 -18.796 541 HA ALA 72 HA ALA 72 -11.576 22.636 -21.444 542 HB1 ALA 72 3HB ALA 72 -13.213 21.078 -21.571 543 HB2 ALA 72 1HB ALA 72 -13.995 21.617 -20.085 544 HB3 ALA 72 2HB ALA 72 -14.244 22.509 -21.587 545 H ASP 73 H ASP 73 -12.878 24.308 -18.720 546 HA ASP 73 HA ASP 73 -14.199 26.415 -20.053 547 HB2 ASP 73 1HB ASP 73 -13.753 27.658 -17.857 548 HB3 ASP 73 2HB ASP 73 -14.692 26.171 -17.760 549 H LYS 74 H LYS 74 -10.927 26.249 -18.651 550 HA LYS 74 HA LYS 74 -10.208 28.675 -20.126 551 HB2 LYS 74 1HB LYS 74 -9.203 27.324 -17.689 552 HB3 LYS 74 2HB LYS 74 -7.994 28.118 -18.690 553 HG2 LYS 74 1HG LYS 74 -8.633 29.718 -17.108 554 HG3 LYS 74 2HG LYS 74 -9.477 30.175 -18.590 555 HD2 LYS 74 1HD LYS 74 -11.476 28.933 -17.725 556 HD3 LYS 74 2HD LYS 74 -10.617 28.741 -16.195 557 HE2 LYS 74 1HE LYS 74 -10.457 31.176 -15.988 558 HE3 LYS 74 2HE LYS 74 -11.319 31.363 -17.515 559 HZ1 LYS 74 3HZ LYS 74 -12.448 31.246 -15.036 560 HZ2 LYS 74 1HZ LYS 74 -12.729 29.700 -15.665 561 HZ3 LYS 74 2HZ LYS 74 -13.263 31.066 -16.508 562 H LYS 75 H LYS 75 -10.343 25.574 -20.864 563 HA LYS 75 HA LYS 75 -9.239 24.145 -22.255 564 HB2 LYS 75 1HB LYS 75 -8.442 26.840 -23.333 565 HB3 LYS 75 2HB LYS 75 -7.924 25.348 -24.106 566 HG2 LYS 75 1HG LYS 75 -9.801 25.762 -25.311 567 HG3 LYS 75 2HG LYS 75 -10.509 24.815 -24.001 568 HD2 LYS 75 1HD LYS 75 -11.934 26.633 -24.106 569 HD3 LYS 75 2HD LYS 75 -10.801 27.128 -22.846 570 HE2 LYS 75 1HE LYS 75 -10.865 29.020 -24.149 571 HE3 LYS 75 2HE LYS 75 -9.489 28.172 -24.853 572 HZ1 LYS 75 3HZ LYS 75 -11.399 27.181 -26.355 573 HZ2 LYS 75 1HZ LYS 75 -10.640 28.646 -26.731 574 HZ3 LYS 75 2HZ LYS 75 -12.148 28.646 -25.964 575 H LEU 76 H LEU 76 -7.996 24.097 -19.926 576 HA LEU 76 HA LEU 76 -5.127 24.344 -20.547 577 HB2 LEU 76 1HB LEU 76 -6.365 24.191 -17.808 578 HB3 LEU 76 2HB LEU 76 -4.693 24.578 -18.211 579 HG LEU 76 HG LEU 76 -7.016 26.330 -18.987 580 HD11 LEU 76 1HD1 LEU 76 -5.240 26.560 -16.562 581 HD12 LEU 76 2HD1 LEU 76 -6.943 26.103 -16.549 582 HD13 LEU 76 3HD1 LEU 76 -6.468 27.719 -17.071 583 HD21 LEU 76 3HD2 LEU 76 -4.057 26.869 -18.763 584 HD22 LEU 76 1HD2 LEU 76 -5.294 28.019 -19.268 585 HD23 LEU 76 2HD2 LEU 76 -4.941 26.609 -20.267 586 H MET 77 H MET 77 -4.012 22.521 -20.751 587 HA MET 77 HA MET 77 -5.043 20.085 -19.458 588 HB2 MET 77 1HB MET 77 -3.949 20.384 -22.255 589 HB3 MET 77 2HB MET 77 -4.154 18.830 -21.460 590 HG2 MET 77 1HG MET 77 -6.108 18.915 -22.598 591 HG3 MET 77 2HG MET 77 -6.611 19.733 -21.120 592 HE1 MET 77 3HE MET 77 -8.211 22.192 -21.679 593 HE2 MET 77 1HE MET 77 -8.734 21.757 -23.307 594 HE3 MET 77 2HE MET 77 -8.525 20.504 -22.083 595 H SER 78 H SER 78 -3.627 19.197 -18.117 596 HA SER 78 HA SER 78 -0.768 19.355 -18.719 597 HB2 SER 78 1HB SER 78 -1.706 19.915 -15.918 598 HB3 SER 78 2HB SER 78 -0.145 20.274 -16.655 599 HG SER 78 HG SER 78 -2.361 21.801 -16.537 600 H VAL 79 H VAL 79 0.460 17.670 -17.888 601 HA VAL 79 HA VAL 79 -0.887 15.641 -16.272 602 HB VAL 79 HB VAL 79 0.665 14.454 -18.452 603 HG11 VAL 79 1HG1 VAL 79 -1.033 12.814 -18.396 604 HG12 VAL 79 2HG1 VAL 79 -0.783 13.304 -16.720 605 HG13 VAL 79 3HG1 VAL 79 -2.173 13.911 -17.620 606 HG21 VAL 79 3HG2 VAL 79 -1.890 15.931 -19.074 607 HG22 VAL 79 1HG2 VAL 79 -0.294 16.230 -19.762 608 HG23 VAL 79 2HG2 VAL 79 -1.146 14.730 -20.129 609 H SER 80 H SER 80 0.419 14.855 -14.750 610 HA SER 80 HA SER 80 3.298 14.741 -15.204 611 HB2 SER 80 1HB SER 80 2.361 16.943 -13.962 612 HB3 SER 80 2HB SER 80 2.516 15.868 -12.573 613 HG SER 80 HG SER 80 4.579 16.188 -12.656 614 H PHE 81 H PHE 81 3.772 12.691 -14.798 615 HA PHE 81 HA PHE 81 2.478 11.377 -12.500 616 HB2 PHE 81 1HB PHE 81 3.612 10.062 -14.977 617 HB3 PHE 81 2HB PHE 81 2.772 9.254 -13.657 618 HD1 PHE 81 HD1 PHE 81 0.573 11.271 -13.257 619 HD2 PHE 81 HD2 PHE 81 2.206 9.518 -16.774 620 HE1 PHE 81 HE1 PHE 81 -1.572 11.606 -14.416 621 HE2 PHE 81 HE2 PHE 81 0.065 9.851 -17.939 622 HZ PHE 81 HZ PHE 81 -1.827 10.898 -16.760 623 H SER 82 H SER 82 3.762 9.857 -11.293 624 HA SER 82 HA SER 82 6.630 10.532 -11.347 625 HB2 SER 82 1HB SER 82 4.890 10.898 -9.274 626 HB3 SER 82 2HB SER 82 5.555 9.311 -8.889 627 HG SER 82 HG SER 82 7.231 11.470 -9.587 628 H ASP 83 H ASP 83 7.953 8.965 -11.953 629 HA ASP 83 HA ASP 83 8.840 6.911 -12.364 630 HB2 ASP 83 1HB ASP 83 8.280 6.725 -9.842 631 HB3 ASP 83 2HB ASP 83 6.938 5.713 -10.368 632 H ILE 84 H ILE 84 7.795 7.072 -14.459 633 HA ILE 84 HA ILE 84 5.695 5.032 -14.784 634 HB ILE 84 HB ILE 84 4.798 6.322 -16.684 635 HG12 ILE 84 1HG1 ILE 84 6.054 8.847 -15.886 636 HG13 ILE 84 2HG1 ILE 84 7.188 7.689 -16.573 637 HG21 ILE 84 1HG2 ILE 84 4.826 8.087 -14.256 638 HG22 ILE 84 2HG2 ILE 84 3.515 7.808 -15.400 639 HG23 ILE 84 3HG2 ILE 84 3.989 6.536 -14.275 640 HD11 ILE 84 3HD1 ILE 84 6.550 8.621 -18.506 641 HD12 ILE 84 1HD1 ILE 84 5.181 7.520 -18.360 642 HD13 ILE 84 2HD1 ILE 84 5.020 9.200 -17.847 643 H ASP 85 H ASP 85 5.793 3.760 -16.651 644 HA ASP 85 HA ASP 85 8.287 2.955 -17.522 645 HB2 ASP 85 1HB ASP 85 5.524 2.627 -18.633 646 HB3 ASP 85 2HB ASP 85 6.906 2.064 -19.568 647 H GLU 86 H GLU 86 9.329 3.134 -19.602 648 HA GLU 86 HA GLU 86 9.455 5.849 -20.501 649 HB2 GLU 86 1HB GLU 86 10.766 3.518 -21.878 650 HB3 GLU 86 2HB GLU 86 11.310 5.188 -21.795 651 HG2 GLU 86 1HG GLU 86 11.339 4.581 -19.186 652 HG3 GLU 86 2HG GLU 86 11.646 2.984 -19.868 653 H ASN 87 H ASN 87 8.789 2.804 -22.243 654 HA ASN 87 HA ASN 87 7.920 3.966 -24.620 655 HB2 ASN 87 1HB ASN 87 8.342 1.425 -23.820 656 HB3 ASN 87 2HB ASN 87 6.581 1.454 -23.791 657 HD21 ASN 87 1HD2 ASN 87 9.371 2.165 -25.830 658 HD22 ASN 87 2HD2 ASN 87 8.593 1.799 -27.329 659 H MET 88 H MET 88 6.204 3.332 -21.631 660 HA MET 88 HA MET 88 3.582 3.721 -22.601 661 HB2 MET 88 1HB MET 88 4.455 2.783 -20.313 662 HB3 MET 88 2HB MET 88 4.355 4.463 -19.805 663 HG2 MET 88 1HG MET 88 2.244 4.022 -19.282 664 HG3 MET 88 2HG MET 88 1.931 4.054 -21.016 665 HE1 MET 88 3HE MET 88 0.935 2.581 -22.171 666 HE2 MET 88 1HE MET 88 2.027 1.230 -22.471 667 HE3 MET 88 2HE MET 88 0.443 0.939 -21.753 668 H LYS 89 H LYS 89 6.041 5.931 -21.405 669 HA LYS 89 HA LYS 89 4.497 8.223 -21.066 670 HB2 LYS 89 1HB LYS 89 7.014 7.769 -20.566 671 HB3 LYS 89 2HB LYS 89 7.271 8.362 -22.201 672 HG2 LYS 89 1HG LYS 89 6.392 10.494 -21.665 673 HG3 LYS 89 2HG LYS 89 5.774 9.921 -20.113 674 HD2 LYS 89 1HD LYS 89 7.748 11.150 -19.644 675 HD3 LYS 89 2HD LYS 89 8.167 9.445 -19.471 676 HE2 LYS 89 1HE LYS 89 8.837 9.693 -22.001 677 HE3 LYS 89 2HE LYS 89 8.962 11.400 -21.577 678 HZ1 LYS 89 3HZ LYS 89 10.505 9.122 -20.500 679 HZ2 LYS 89 1HZ LYS 89 10.401 10.588 -19.660 680 HZ3 LYS 89 2HZ LYS 89 11.080 10.546 -21.209 681 H LYS 90 H LYS 90 5.906 6.831 -23.975 682 HA LYS 90 HA LYS 90 5.485 8.977 -25.724 683 HB2 LYS 90 1HB LYS 90 5.748 6.014 -26.083 684 HB3 LYS 90 2HB LYS 90 5.300 7.018 -27.455 685 HG2 LYS 90 1HG LYS 90 7.613 6.819 -27.614 686 HG3 LYS 90 2HG LYS 90 7.367 8.407 -26.886 687 HD2 LYS 90 1HD LYS 90 8.042 7.677 -24.776 688 HD3 LYS 90 2HD LYS 90 7.783 5.978 -25.178 689 HE2 LYS 90 1HE LYS 90 9.863 7.647 -26.562 690 HE3 LYS 90 2HE LYS 90 10.196 6.808 -25.048 691 HZ1 LYS 90 3HZ LYS 90 8.963 5.062 -26.912 692 HZ2 LYS 90 1HZ LYS 90 10.460 4.912 -26.138 693 HZ3 LYS 90 2HZ LYS 90 10.343 5.763 -27.594 694 H VAL 91 H VAL 91 3.442 6.102 -25.187 695 HA VAL 91 HA VAL 91 1.325 6.861 -26.836 696 HB VAL 91 HB VAL 91 1.117 5.248 -24.290 697 HG11 VAL 91 1HG1 VAL 91 -0.688 5.690 -26.629 698 HG12 VAL 91 2HG1 VAL 91 -0.728 4.150 -25.767 699 HG13 VAL 91 3HG1 VAL 91 -1.069 5.653 -24.907 700 HG21 VAL 91 3HG2 VAL 91 2.703 4.055 -25.449 701 HG22 VAL 91 1HG2 VAL 91 1.222 3.352 -26.100 702 HG23 VAL 91 2HG2 VAL 91 2.100 4.572 -27.023 703 H ILE 92 H ILE 92 1.571 7.210 -23.293 704 HA ILE 92 HA ILE 92 -0.786 8.609 -22.878 705 HB ILE 92 HB ILE 92 1.810 8.940 -21.369 706 HG12 ILE 92 1HG1 ILE 92 -0.542 7.104 -20.864 707 HG13 ILE 92 2HG1 ILE 92 1.032 6.604 -21.472 708 HG21 ILE 92 1HG2 ILE 92 0.771 10.418 -20.083 709 HG22 ILE 92 2HG2 ILE 92 -0.631 10.338 -21.147 710 HG23 ILE 92 3HG2 ILE 92 -0.518 9.260 -19.756 711 HD11 ILE 92 3HD1 ILE 92 0.662 6.173 -19.053 712 HD12 ILE 92 1HD1 ILE 92 2.082 7.156 -19.409 713 HD13 ILE 92 2HD1 ILE 92 0.611 7.918 -18.803 714 H LYS 93 H LYS 93 2.466 9.902 -23.512 715 HA LYS 93 HA LYS 93 1.845 12.614 -23.377 716 HB2 LYS 93 1HB LYS 93 4.140 11.859 -23.453 717 HB3 LYS 93 2HB LYS 93 3.905 11.177 -25.056 718 HG2 LYS 93 1HG LYS 93 3.590 13.395 -25.983 719 HG3 LYS 93 2HG LYS 93 3.744 14.107 -24.375 720 HD2 LYS 93 1HD LYS 93 6.035 13.232 -24.223 721 HD3 LYS 93 2HD LYS 93 5.876 12.554 -25.845 722 HE2 LYS 93 1HE LYS 93 6.924 14.531 -26.329 723 HE3 LYS 93 2HE LYS 93 5.238 15.030 -26.459 724 HZ1 LYS 93 3HZ LYS 93 5.351 15.884 -24.204 725 HZ2 LYS 93 1HZ LYS 93 6.538 16.606 -25.169 726 HZ3 LYS 93 2HZ LYS 93 6.965 15.394 -24.070 727 H ALA 94 H ALA 94 1.591 10.346 -26.071 728 HA ALA 94 HA ALA 94 0.963 12.218 -28.076 729 HB1 ALA 94 3HB ALA 94 1.654 9.908 -28.542 730 HB2 ALA 94 1HB ALA 94 0.117 9.328 -27.899 731 HB3 ALA 94 2HB ALA 94 0.146 10.324 -29.355 732 H THR 95 H THR 95 -1.154 10.205 -26.041 733 HA THR 95 HA THR 95 -3.593 11.131 -27.066 734 HB THR 95 HB THR 95 -2.983 10.090 -24.292 735 HG1 THR 95 HG1 THR 95 -3.738 8.864 -26.737 736 HG21 THR 95 3HG2 THR 95 -5.376 9.590 -24.158 737 HG22 THR 95 1HG2 THR 95 -5.629 10.351 -25.729 738 HG23 THR 95 2HG2 THR 95 -5.102 11.321 -24.354 739 H ALA 96 H ALA 96 -1.512 12.382 -24.517 740 HA ALA 96 HA ALA 96 -3.376 14.357 -23.614 741 HB1 ALA 96 3HB ALA 96 -1.693 15.082 -22.151 742 HB2 ALA 96 1HB ALA 96 -1.448 13.341 -22.293 743 HB3 ALA 96 2HB ALA 96 -0.406 14.455 -23.181 744 H GLU 97 H GLU 97 -0.826 14.233 -26.005 745 HA GLU 97 HA GLU 97 -0.663 17.059 -26.402 746 HB2 GLU 97 1HB GLU 97 1.044 15.164 -27.005 747 HB3 GLU 97 2HB GLU 97 0.125 15.075 -28.501 748 HG2 GLU 97 1HG GLU 97 0.516 17.683 -28.487 749 HG3 GLU 97 2HG GLU 97 1.891 17.229 -27.482 750 H LYS 98 H LYS 98 -2.511 14.439 -27.818 751 HA LYS 98 HA LYS 98 -3.452 15.650 -30.129 752 HB2 LYS 98 1HB LYS 98 -4.905 13.750 -28.279 753 HB3 LYS 98 2HB LYS 98 -5.406 14.135 -29.920 754 HG2 LYS 98 1HG LYS 98 -2.642 13.254 -29.779 755 HG3 LYS 98 2HG LYS 98 -3.777 12.053 -29.158 756 HD2 LYS 98 1HD LYS 98 -3.933 11.475 -31.336 757 HD3 LYS 98 2HD LYS 98 -5.072 12.823 -31.395 758 HE2 LYS 98 1HE LYS 98 -3.589 13.126 -33.213 759 HE3 LYS 98 2HE LYS 98 -3.110 14.296 -31.984 760 HZ1 LYS 98 3HZ LYS 98 -1.524 12.370 -33.198 761 HZ2 LYS 98 1HZ LYS 98 -1.712 11.879 -31.590 762 HZ3 LYS 98 2HZ LYS 98 -1.095 13.415 -31.939 763 H PHE 99 H PHE 99 -4.286 16.240 -26.815 764 HA PHE 99 HA PHE 99 -6.793 17.416 -27.079 765 HB2 PHE 99 1HB PHE 99 -4.551 17.691 -25.127 766 HB3 PHE 99 2HB PHE 99 -5.870 18.855 -25.055 767 HD1 PHE 99 HD1 PHE 99 -5.056 15.256 -24.873 768 HD2 PHE 99 HD2 PHE 99 -7.943 18.288 -24.103 769 HE1 PHE 99 HE1 PHE 99 -6.395 13.648 -23.579 770 HE2 PHE 99 HE2 PHE 99 -9.286 16.685 -22.807 771 HZ PHE 99 HZ PHE 99 -8.513 14.361 -22.543 772 H LYS 100 H LYS 100 -3.691 18.563 -28.041 773 HA LYS 100 HA LYS 100 -3.938 21.300 -28.003 774 HB2 LYS 100 1HB LYS 100 -2.332 21.375 -29.778 775 HB3 LYS 100 2HB LYS 100 -1.940 19.993 -28.764 776 HG2 LYS 100 1HG LYS 100 -2.882 18.476 -30.360 777 HG3 LYS 100 2HG LYS 100 -3.496 19.814 -31.334 778 HD2 LYS 100 1HD LYS 100 -1.503 18.988 -32.374 779 HD3 LYS 100 2HD LYS 100 -1.136 20.561 -31.661 780 HE2 LYS 100 1HE LYS 100 0.172 19.653 -30.002 781 HE3 LYS 100 2HE LYS 100 -0.656 18.098 -30.052 782 HZ1 LYS 100 3HZ LYS 100 0.815 17.322 -31.501 783 HZ2 LYS 100 1HZ LYS 100 1.745 18.708 -31.224 784 HZ3 LYS 100 2HZ LYS 100 0.655 18.666 -32.516 785 H ASN 101 H ASN 101 -5.504 19.002 -30.120 786 HA ASN 101 HA ASN 101 -6.332 20.624 -32.199 787 HB2 ASN 101 1HB ASN 101 -7.598 18.242 -30.868 788 HB3 ASN 101 2HB ASN 101 -8.397 19.061 -32.207 789 HD21 ASN 101 1HD2 ASN 101 -7.276 16.354 -31.987 790 HD22 ASN 101 2HD2 ASN 101 -6.142 16.213 -33.282 791 H LYS 102 H LYS 102 -7.719 20.252 -28.979 792 HA LYS 102 HA LYS 102 -9.412 22.600 -29.521 793 HB2 LYS 102 1HB LYS 102 -11.193 21.673 -28.214 794 HB3 LYS 102 2HB LYS 102 -10.724 20.469 -29.407 795 HG2 LYS 102 1HG LYS 102 -9.525 19.211 -27.753 796 HG3 LYS 102 2HG LYS 102 -9.788 20.472 -26.546 797 HD2 LYS 102 1HD LYS 102 -12.170 19.282 -27.871 798 HD3 LYS 102 2HD LYS 102 -11.318 18.311 -26.669 799 HE2 LYS 102 1HE LYS 102 -12.220 21.136 -26.155 800 HE3 LYS 102 2HE LYS 102 -13.230 19.732 -25.814 801 HZ1 LYS 102 3HZ LYS 102 -12.192 19.532 -23.885 802 HZ2 LYS 102 1HZ LYS 102 -11.165 20.826 -24.251 803 HZ3 LYS 102 2HZ LYS 102 -10.730 19.252 -24.689 804 H GLY 103 H GLY 103 -6.723 22.282 -28.283 805 HA2 GLY 103 1HA GLY 103 -7.006 24.134 -26.193 806 HA3 GLY 103 2HA GLY 103 -6.863 22.531 -25.487 807 H PHE 104 H PHE 104 -5.256 24.920 -27.511 808 HA PHE 104 HA PHE 104 -2.864 23.657 -28.031 809 HB2 PHE 104 1HB PHE 104 -3.352 26.569 -27.376 810 HB3 PHE 104 2HB PHE 104 -1.856 25.944 -28.062 811 HD1 PHE 104 HD1 PHE 104 -2.288 24.402 -30.223 812 HD2 PHE 104 HD2 PHE 104 -4.834 27.516 -28.834 813 HE1 PHE 104 HE1 PHE 104 -3.226 24.639 -32.486 814 HE2 PHE 104 HE2 PHE 104 -5.777 27.758 -31.094 815 HZ PHE 104 HZ PHE 104 -4.974 26.318 -32.923 816 H LYS 105 H LYS 105 -4.009 25.035 -25.038 817 HA LYS 105 HA LYS 105 -1.514 25.105 -23.688 818 HB2 LYS 105 1HB LYS 105 -3.847 26.189 -23.107 819 HB3 LYS 105 2HB LYS 105 -4.082 24.692 -22.213 820 HG2 LYS 105 1HG LYS 105 -1.592 26.288 -21.808 821 HG3 LYS 105 2HG LYS 105 -3.096 26.776 -21.023 822 HD2 LYS 105 1HD LYS 105 -3.260 24.696 -19.870 823 HD3 LYS 105 2HD LYS 105 -1.945 23.999 -20.819 824 HE2 LYS 105 1HE LYS 105 -0.512 25.892 -19.833 825 HE3 LYS 105 2HE LYS 105 -1.816 26.082 -18.662 826 HZ1 LYS 105 3HZ LYS 105 -1.517 23.590 -18.282 827 HZ2 LYS 105 1HZ LYS 105 -0.341 24.627 -17.645 828 HZ3 LYS 105 2HZ LYS 105 -0.030 23.766 -19.068 829 H VAL 106 H VAL 106 -0.531 23.092 -24.135 830 HA VAL 106 HA VAL 106 -1.589 20.886 -22.496 831 HB VAL 106 HB VAL 106 -0.175 20.506 -25.136 832 HG11 VAL 106 1HG1 VAL 106 -0.241 18.760 -23.142 833 HG12 VAL 106 2HG1 VAL 106 -1.826 18.410 -23.835 834 HG13 VAL 106 3HG1 VAL 106 -0.375 18.258 -24.827 835 HG21 VAL 106 3HG2 VAL 106 -3.105 20.540 -24.465 836 HG22 VAL 106 1HG2 VAL 106 -2.254 21.445 -25.717 837 HG23 VAL 106 2HG2 VAL 106 -2.472 19.703 -25.882 838 H GLU 107 H GLU 107 -0.199 20.180 -21.018 839 HA GLU 107 HA GLU 107 2.680 20.453 -21.517 840 HB2 GLU 107 1HB GLU 107 1.626 22.296 -20.008 841 HB3 GLU 107 2HB GLU 107 1.560 21.027 -18.793 842 HG2 GLU 107 1HG GLU 107 3.553 22.356 -18.514 843 HG3 GLU 107 2HG GLU 107 3.977 20.714 -18.992 844 H THR 108 H THR 108 3.393 18.426 -21.549 845 HA THR 108 HA THR 108 2.333 16.525 -19.564 846 HB THR 108 HB THR 108 2.934 14.724 -21.042 847 HG1 THR 108 HG1 THR 108 4.754 15.353 -22.077 848 HG21 THR 108 3HG2 THR 108 1.520 16.949 -22.515 849 HG22 THR 108 1HG2 THR 108 0.779 15.710 -21.502 850 HG23 THR 108 2HG2 THR 108 1.539 15.262 -23.030 851 H ASP 109 H ASP 109 3.691 15.497 -18.192 852 HA ASP 109 HA ASP 109 6.201 16.588 -17.615 853 HB2 ASP 109 1HB ASP 109 5.048 15.459 -15.868 854 HB3 ASP 109 2HB ASP 109 4.908 13.982 -16.818 855 H MET 110 H MET 110 8.272 16.022 -18.112 856 HA MET 110 HA MET 110 8.587 13.982 -20.212 857 HB2 MET 110 1HB MET 110 9.114 16.377 -20.804 858 HB3 MET 110 2HB MET 110 10.438 16.300 -19.649 859 HG2 MET 110 1HG MET 110 11.502 14.552 -20.926 860 HG3 MET 110 2HG MET 110 10.140 14.502 -22.042 861 HE1 MET 110 3HE MET 110 9.690 17.590 -23.380 862 HE2 MET 110 1HE MET 110 10.701 16.829 -24.609 863 HE3 MET 110 2HE MET 110 9.572 15.854 -23.668 Start of MODEL 9 1 H MET 1 H MET 1 0.781 -0.388 0.657 2 HA MET 1 HA MET 1 0.457 2.492 0.282 3 HB2 MET 1 1HB MET 1 2.719 1.159 0.422 4 HB3 MET 1 2HB MET 1 2.402 0.838 -1.277 5 HG2 MET 1 1HG MET 1 2.505 3.115 -1.838 6 HG3 MET 1 2HG MET 1 2.390 3.616 -0.153 7 HE1 MET 1 3HE MET 1 5.871 3.426 1.224 8 HE2 MET 1 1HE MET 1 4.285 4.197 1.262 9 HE3 MET 1 2HE MET 1 4.438 2.477 1.618 10 H THR 2 H THR 2 -1.559 2.531 -0.751 11 HA THR 2 HA THR 2 -1.943 1.046 -3.208 12 HB THR 2 HB THR 2 -3.818 3.220 -2.396 13 HG1 THR 2 HG1 THR 2 -4.355 2.272 -0.576 14 HG21 THR 2 3HG2 THR 2 -5.213 2.121 -3.751 15 HG22 THR 2 1HG2 THR 2 -4.908 0.591 -2.931 16 HG23 THR 2 2HG2 THR 2 -3.840 1.124 -4.230 17 H LEU 3 H LEU 3 -1.329 1.742 -5.139 18 HA LEU 3 HA LEU 3 -0.384 4.452 -5.487 19 HB2 LEU 3 1HB LEU 3 -0.452 2.025 -7.255 20 HB3 LEU 3 2HB LEU 3 0.058 3.603 -7.852 21 HG LEU 3 HG LEU 3 1.386 2.146 -5.570 22 HD11 LEU 3 1HD1 LEU 3 2.533 2.427 -8.319 23 HD12 LEU 3 2HD1 LEU 3 1.477 1.074 -7.916 24 HD13 LEU 3 3HD1 LEU 3 2.981 1.311 -7.028 25 HD21 LEU 3 3HD2 LEU 3 2.803 4.194 -7.133 26 HD22 LEU 3 1HD2 LEU 3 2.796 3.891 -5.396 27 HD23 LEU 3 2HD2 LEU 3 1.473 4.790 -6.139 28 H CYS 4 H CYS 4 -1.875 5.986 -5.764 29 HA CYS 4 HA CYS 4 -4.054 5.463 -7.678 30 HB2 CYS 4 1HB CYS 4 -5.370 7.163 -6.407 31 HB3 CYS 4 2HB CYS 4 -4.998 5.716 -5.477 32 HG CYS 4 HG CYS 4 -3.018 8.471 -5.197 33 H ALA 5 H ALA 5 -4.850 7.393 -8.823 34 HA ALA 5 HA ALA 5 -2.734 9.408 -9.212 35 HB1 ALA 5 3HB ALA 5 -2.746 7.784 -11.059 36 HB2 ALA 5 1HB ALA 5 -4.433 8.185 -11.383 37 HB3 ALA 5 2HB ALA 5 -3.179 9.408 -11.594 38 H MET 6 H MET 6 -3.376 11.506 -9.459 39 HA MET 6 HA MET 6 -6.184 12.058 -8.867 40 HB2 MET 6 1HB MET 6 -3.627 13.410 -8.362 41 HB3 MET 6 2HB MET 6 -4.923 14.491 -8.855 42 HG2 MET 6 1HG MET 6 -4.887 14.382 -6.474 43 HG3 MET 6 2HG MET 6 -6.330 13.552 -7.050 44 HE1 MET 6 3HE MET 6 -6.101 11.746 -4.134 45 HE2 MET 6 1HE MET 6 -7.043 12.390 -5.480 46 HE3 MET 6 2HE MET 6 -6.613 10.679 -5.442 47 H TYR 7 H TYR 7 -7.552 12.971 -10.280 48 HA TYR 7 HA TYR 7 -6.462 14.162 -12.733 49 HB2 TYR 7 1HB TYR 7 -7.368 11.689 -12.890 50 HB3 TYR 7 2HB TYR 7 -8.935 12.490 -12.911 51 HD1 TYR 7 HD1 TYR 7 -9.309 14.302 -14.692 52 HD2 TYR 7 HD2 TYR 7 -6.117 11.493 -14.854 53 HE1 TYR 7 HE1 TYR 7 -9.066 14.726 -17.102 54 HE2 TYR 7 HE2 TYR 7 -5.864 11.911 -17.264 55 HH TYR 7 HH TYR 7 -8.008 14.171 -18.972 56 H ASN 8 H ASN 8 -7.046 16.231 -12.522 57 HA ASN 8 HA ASN 8 -9.665 16.902 -11.419 58 HB2 ASN 8 1HB ASN 8 -7.241 18.569 -12.103 59 HB3 ASN 8 2HB ASN 8 -8.774 19.272 -11.595 60 HD21 ASN 8 1HD2 ASN 8 -9.659 18.281 -9.527 61 HD22 ASN 8 2HD2 ASN 8 -8.519 18.042 -8.251 62 H ILE 9 H ILE 9 -11.100 16.408 -13.049 63 HA ILE 9 HA ILE 9 -10.696 17.667 -15.664 64 HB ILE 9 HB ILE 9 -11.267 15.276 -15.661 65 HG12 ILE 9 1HG1 ILE 9 -13.459 17.055 -16.751 66 HG13 ILE 9 2HG1 ILE 9 -11.941 16.680 -17.558 67 HG21 ILE 9 1HG2 ILE 9 -13.406 14.478 -14.909 68 HG22 ILE 9 2HG2 ILE 9 -12.619 15.329 -13.581 69 HG23 ILE 9 3HG2 ILE 9 -13.913 16.113 -14.487 70 HD11 ILE 9 3HD1 ILE 9 -14.393 15.274 -17.653 71 HD12 ILE 9 1HD1 ILE 9 -12.879 14.911 -18.482 72 HD13 ILE 9 2HD1 ILE 9 -13.195 14.233 -16.885 73 H SER 10 H SER 10 -11.838 19.381 -16.307 74 HA SER 10 HA SER 10 -14.292 20.080 -14.850 75 HB2 SER 10 1HB SER 10 -12.499 22.302 -15.707 76 HB3 SER 10 2HB SER 10 -13.612 22.217 -14.342 77 HG SER 10 HG SER 10 -11.199 22.103 -13.974 78 H MET 11 H MET 11 -15.861 21.158 -16.044 79 HA MET 11 HA MET 11 -15.370 21.239 -18.948 80 HB2 MET 11 1HB MET 11 -17.052 19.544 -17.990 81 HB3 MET 11 2HB MET 11 -18.084 20.934 -17.684 82 HG2 MET 11 1HG MET 11 -18.211 21.451 -20.002 83 HG3 MET 11 2HG MET 11 -16.969 20.263 -20.391 84 HE1 MET 11 3HE MET 11 -20.371 19.128 -21.964 85 HE2 MET 11 1HE MET 11 -20.804 20.523 -20.975 86 HE3 MET 11 2HE MET 11 -19.327 20.550 -21.938 87 H ALA 12 H ALA 12 -16.807 22.799 -20.128 88 HA ALA 12 HA ALA 12 -16.352 25.402 -19.347 89 HB1 ALA 12 3HB ALA 12 -18.377 24.216 -21.216 90 HB2 ALA 12 1HB ALA 12 -18.260 25.958 -20.958 91 HB3 ALA 12 2HB ALA 12 -16.879 25.066 -21.599 92 H GLY 13 H GLY 13 -17.089 26.537 -17.682 93 HA2 GLY 13 1HA GLY 13 -18.496 27.388 -16.080 94 HA3 GLY 13 2HA GLY 13 -19.826 26.891 -17.116 95 H SER 14 H SER 14 -17.342 25.147 -15.242 96 HA SER 14 HA SER 14 -19.311 24.047 -13.460 97 HB2 SER 14 1HB SER 14 -18.261 22.465 -15.757 98 HB3 SER 14 2HB SER 14 -18.426 21.641 -14.207 99 HG SER 14 HG SER 14 -20.641 22.537 -14.226 100 H HIS 15 H HIS 15 -18.397 23.606 -11.551 101 HA HIS 15 HA HIS 15 -15.794 24.272 -10.926 102 HB2 HIS 15 1HB HIS 15 -16.177 22.795 -8.863 103 HB3 HIS 15 2HB HIS 15 -17.304 24.123 -9.126 104 HD1 HIS 15 HD1 HIS 15 -17.368 20.650 -10.667 105 HD2 HIS 15 HD2 HIS 15 -19.641 23.101 -8.199 106 HE1 HIS 15 HE1 HIS 15 -19.513 19.399 -10.268 107 HA PRO 16 HA PRO 16 -13.181 20.965 -12.139 108 HB2 PRO 16 1HB PRO 16 -11.387 20.897 -10.102 109 HB3 PRO 16 2HB PRO 16 -11.424 22.190 -11.307 110 HG2 PRO 16 1HG PRO 16 -12.544 22.155 -8.531 111 HG3 PRO 16 2HG PRO 16 -11.651 23.442 -9.361 112 HD2 PRO 16 1HD PRO 16 -14.347 23.468 -9.111 113 HD3 PRO 16 2HD PRO 16 -13.512 24.162 -10.515 114 H THR 17 H THR 17 -13.497 18.837 -12.108 115 HA THR 17 HA THR 17 -14.567 17.589 -9.685 116 HB THR 17 HB THR 17 -14.422 16.559 -12.524 117 HG1 THR 17 HG1 THR 17 -16.002 18.189 -12.162 118 HG21 THR 17 3HG2 THR 17 -15.030 15.234 -9.968 119 HG22 THR 17 1HG2 THR 17 -14.521 14.545 -11.509 120 HG23 THR 17 2HG2 THR 17 -16.214 14.967 -11.247 121 H THR 18 H THR 18 -13.239 16.534 -8.379 122 HA THR 18 HA THR 18 -10.596 15.750 -9.298 123 HB THR 18 HB THR 18 -11.535 15.154 -6.530 124 HG1 THR 18 HG1 THR 18 -11.212 17.723 -7.656 125 HG21 THR 18 3HG2 THR 18 -8.972 16.073 -7.813 126 HG22 THR 18 1HG2 THR 18 -9.293 14.549 -6.987 127 HG23 THR 18 2HG2 THR 18 -9.204 16.051 -6.065 128 H ILE 19 H ILE 19 -10.514 13.876 -10.374 129 HA ILE 19 HA ILE 19 -12.079 11.601 -9.358 130 HB ILE 19 HB ILE 19 -10.731 11.753 -12.048 131 HG12 ILE 19 1HG1 ILE 19 -13.584 12.480 -11.349 132 HG13 ILE 19 2HG1 ILE 19 -12.332 13.610 -11.850 133 HG21 ILE 19 1HG2 ILE 19 -11.570 9.569 -10.877 134 HG22 ILE 19 2HG2 ILE 19 -13.153 10.138 -11.405 135 HG23 ILE 19 3HG2 ILE 19 -11.883 9.839 -12.592 136 HD11 ILE 19 3HD1 ILE 19 -13.359 11.346 -13.542 137 HD12 ILE 19 1HD1 ILE 19 -13.918 13.016 -13.645 138 HD13 ILE 19 2HD1 ILE 19 -12.243 12.621 -14.032 139 H CYS 20 H CYS 20 -11.081 9.881 -8.515 140 HA CYS 20 HA CYS 20 -8.145 9.820 -8.614 141 HB2 CYS 20 1HB CYS 20 -9.929 8.360 -6.663 142 HB3 CYS 20 2HB CYS 20 -8.191 8.610 -6.545 143 HG CYS 20 HG CYS 20 -10.594 11.027 -6.233 144 H VAL 21 H VAL 21 -7.374 8.473 -10.096 145 HA VAL 21 HA VAL 21 -8.749 5.895 -10.497 146 HB VAL 21 HB VAL 21 -7.054 7.326 -12.544 147 HG11 VAL 21 1HG1 VAL 21 -7.335 5.546 -13.869 148 HG12 VAL 21 2HG1 VAL 21 -7.780 4.685 -12.394 149 HG13 VAL 21 3HG1 VAL 21 -9.034 5.372 -13.427 150 HG21 VAL 21 3HG2 VAL 21 -9.760 7.841 -11.728 151 HG22 VAL 21 1HG2 VAL 21 -8.778 8.672 -12.935 152 HG23 VAL 21 2HG2 VAL 21 -9.726 7.257 -13.392 153 H VAL 22 H VAL 22 -7.613 4.104 -10.108 154 HA VAL 22 HA VAL 22 -5.166 4.070 -8.833 155 HB VAL 22 HB VAL 22 -6.689 2.152 -8.839 156 HG11 VAL 22 1HG1 VAL 22 -7.288 2.342 -11.260 157 HG12 VAL 22 2HG1 VAL 22 -5.735 1.597 -11.642 158 HG13 VAL 22 3HG1 VAL 22 -6.940 0.701 -10.717 159 HG21 VAL 22 3HG2 VAL 22 -4.345 0.855 -10.011 160 HG22 VAL 22 1HG2 VAL 22 -3.955 2.088 -8.811 161 HG23 VAL 22 2HG2 VAL 22 -5.009 0.740 -8.381 162 H MET 23 H MET 23 -3.048 3.667 -9.455 163 HA MET 23 HA MET 23 -2.129 4.867 -11.786 164 HB2 MET 23 1HB MET 23 -0.812 4.339 -9.685 165 HB3 MET 23 2HB MET 23 -0.655 2.697 -10.294 166 HG2 MET 23 1HG MET 23 0.146 4.915 -12.088 167 HG3 MET 23 2HG MET 23 1.185 4.547 -10.714 168 HE1 MET 23 3HE MET 23 3.510 2.860 -11.899 169 HE2 MET 23 1HE MET 23 3.126 3.212 -13.584 170 HE3 MET 23 2HE MET 23 2.867 4.441 -12.345 171 H ASP 24 H ASP 24 -2.896 1.493 -11.128 172 HA ASP 24 HA ASP 24 -1.831 0.398 -13.494 173 HB2 ASP 24 1HB ASP 24 -2.685 -0.786 -11.347 174 HB3 ASP 24 2HB ASP 24 -4.261 -0.729 -12.132 175 H ARG 25 H ARG 25 -4.538 2.380 -12.965 176 HA ARG 25 HA ARG 25 -5.603 1.697 -15.627 177 HB2 ARG 25 1HB ARG 25 -7.070 2.750 -13.203 178 HB3 ARG 25 2HB ARG 25 -7.782 2.603 -14.805 179 HG2 ARG 25 1HG ARG 25 -7.445 0.191 -14.746 180 HG3 ARG 25 2HG ARG 25 -6.704 0.330 -13.150 181 HD2 ARG 25 1HD ARG 25 -8.760 1.116 -12.199 182 HD3 ARG 25 2HD ARG 25 -9.511 1.218 -13.791 183 HE ARG 25 HE ARG 25 -8.639 -1.423 -13.285 184 HH11 ARG 25 1HH1 ARG 25 -11.104 0.863 -12.381 185 HH12 ARG 25 2HH1 ARG 25 -12.277 -0.355 -12.001 186 HH21 ARG 25 1HH2 ARG 25 -10.174 -3.035 -12.788 187 HH22 ARG 25 2HH2 ARG 25 -11.747 -2.571 -12.232 188 H PHE 26 H PHE 26 -3.526 3.688 -14.606 189 HA PHE 26 HA PHE 26 -4.531 6.296 -14.846 190 HB2 PHE 26 1HB PHE 26 -2.142 5.302 -14.148 191 HB3 PHE 26 2HB PHE 26 -1.772 5.752 -15.809 192 HD1 PHE 26 HD2 PHE 26 -3.613 8.170 -15.935 193 HD2 PHE 26 HD1 PHE 26 -0.774 6.875 -13.040 194 HE1 PHE 26 HE2 PHE 26 -3.276 10.502 -15.227 195 HE2 PHE 26 HE1 PHE 26 -0.433 9.205 -12.327 196 HZ PHE 26 HZ PHE 26 -1.684 11.022 -13.421 197 H LEU 27 H LEU 27 -2.796 4.338 -17.271 198 HA LEU 27 HA LEU 27 -3.122 6.123 -19.403 199 HB2 LEU 27 1HB LEU 27 -1.507 4.341 -19.494 200 HB3 LEU 27 2HB LEU 27 -2.782 3.129 -19.389 201 HG LEU 27 HG LEU 27 -3.552 3.682 -21.608 202 HD11 LEU 27 1HD1 LEU 27 -1.613 5.340 -22.694 203 HD12 LEU 27 2HD1 LEU 27 -2.014 6.088 -21.149 204 HD13 LEU 27 3HD1 LEU 27 -3.285 5.767 -22.329 205 HD21 LEU 27 3HD2 LEU 27 -1.677 2.906 -22.889 206 HD22 LEU 27 1HD2 LEU 27 -1.661 2.095 -21.324 207 HD23 LEU 27 2HD2 LEU 27 -0.548 3.427 -21.638 208 H GLU 28 H GLU 28 -5.023 3.236 -18.544 209 HA GLU 28 HA GLU 28 -6.876 3.312 -20.593 210 HB2 GLU 28 1HB GLU 28 -6.547 1.619 -18.631 211 HB3 GLU 28 2HB GLU 28 -7.734 2.619 -17.805 212 HG2 GLU 28 1HG GLU 28 -9.063 1.011 -18.748 213 HG3 GLU 28 2HG GLU 28 -9.131 2.280 -19.969 214 H SER 29 H SER 29 -7.113 4.864 -17.397 215 HA SER 29 HA SER 29 -9.594 6.077 -17.746 216 HB2 SER 29 1HB SER 29 -9.026 7.483 -15.892 217 HB3 SER 29 2HB SER 29 -8.263 5.921 -15.601 218 HG SER 29 HG SER 29 -7.121 8.340 -15.840 219 H PHE 30 H PHE 30 -6.351 7.365 -18.421 220 HA PHE 30 HA PHE 30 -7.171 9.888 -19.335 221 HB2 PHE 30 1HB PHE 30 -4.810 9.111 -18.739 222 HB3 PHE 30 2HB PHE 30 -4.744 8.417 -20.356 223 HD1 PHE 30 HD1 PHE 30 -6.219 11.628 -19.198 224 HD2 PHE 30 HD2 PHE 30 -3.214 9.705 -21.519 225 HE1 PHE 30 HE1 PHE 30 -5.523 13.810 -20.099 226 HE2 PHE 30 HE2 PHE 30 -2.513 11.883 -22.423 227 HZ PHE 30 HZ PHE 30 -3.667 13.939 -21.713 228 H SER 31 H SER 31 -6.657 6.838 -21.050 229 HA SER 31 HA SER 31 -6.979 7.774 -23.662 230 HB2 SER 31 1HB SER 31 -6.142 5.539 -23.230 231 HB3 SER 31 2HB SER 31 -7.668 5.074 -22.479 232 HG SER 31 HG SER 31 -7.570 4.356 -24.631 233 H GLU 32 H GLU 32 -9.395 6.497 -21.390 234 HA GLU 32 HA GLU 32 -11.596 6.807 -23.151 235 HB2 GLU 32 1HB GLU 32 -11.238 6.234 -20.255 236 HB3 GLU 32 2HB GLU 32 -12.811 6.823 -20.771 237 HG2 GLU 32 1HG GLU 32 -12.567 4.334 -20.670 238 HG3 GLU 32 2HG GLU 32 -13.140 4.979 -22.208 239 H LEU 33 H LEU 33 -10.046 8.904 -20.813 240 HA LEU 33 HA LEU 33 -12.063 10.860 -20.622 241 HB2 LEU 33 1HB LEU 33 -9.877 10.490 -19.248 242 HB3 LEU 33 2HB LEU 33 -9.161 11.553 -20.458 243 HG LEU 33 HG LEU 33 -9.787 12.760 -18.421 244 HD11 LEU 33 1HD1 LEU 33 -11.764 13.772 -20.367 245 HD12 LEU 33 2HD1 LEU 33 -10.109 13.585 -20.946 246 HD13 LEU 33 3HD1 LEU 33 -10.443 14.605 -19.547 247 HD21 LEU 33 3HD2 LEU 33 -12.157 11.195 -18.652 248 HD22 LEU 33 1HD2 LEU 33 -12.595 12.903 -18.700 249 HD23 LEU 33 2HD2 LEU 33 -11.662 12.270 -17.344 250 H TYR 34 H TYR 34 -9.264 10.557 -22.775 251 HA TYR 34 HA TYR 34 -9.514 13.004 -24.099 252 HB2 TYR 34 1HB TYR 34 -7.518 11.732 -24.405 253 HB3 TYR 34 2HB TYR 34 -8.415 10.345 -25.012 254 HD1 TYR 34 HD2 TYR 34 -8.179 13.985 -25.862 255 HD2 TYR 34 HD1 TYR 34 -8.135 9.967 -27.262 256 HE1 TYR 34 HE2 TYR 34 -7.863 14.796 -28.162 257 HE2 TYR 34 HE1 TYR 34 -7.819 10.767 -29.566 258 HH TYR 34 HH TYR 34 -8.445 13.718 -30.590 259 H ASP 35 H ASP 35 -11.424 10.154 -24.286 260 HA ASP 35 HA ASP 35 -12.584 10.838 -26.860 261 HB2 ASP 35 1HB ASP 35 -12.483 8.489 -25.164 262 HB3 ASP 35 2HB ASP 35 -14.130 8.821 -25.692 263 H ILE 36 H ILE 36 -13.883 10.284 -23.581 264 HA ILE 36 HA ILE 36 -16.424 11.314 -24.031 265 HB ILE 36 HB ILE 36 -15.826 10.051 -22.011 266 HG12 ILE 36 1HG1 ILE 36 -16.881 12.815 -21.371 267 HG13 ILE 36 2HG1 ILE 36 -17.838 11.502 -22.050 268 HG21 ILE 36 1HG2 ILE 36 -14.464 10.855 -20.310 269 HG22 ILE 36 2HG2 ILE 36 -13.618 11.363 -21.771 270 HG23 ILE 36 3HG2 ILE 36 -14.588 12.524 -20.865 271 HD11 ILE 36 3HD1 ILE 36 -16.480 11.478 -19.365 272 HD12 ILE 36 1HD1 ILE 36 -18.199 11.742 -19.656 273 HD13 ILE 36 2HD1 ILE 36 -17.468 10.183 -20.042 274 H ILE 37 H ILE 37 -13.422 12.958 -23.257 275 HA ILE 37 HA ILE 37 -14.551 15.484 -22.648 276 HB ILE 37 HB ILE 37 -12.205 14.737 -22.092 277 HG12 ILE 37 1HG1 ILE 37 -11.320 17.142 -23.028 278 HG13 ILE 37 2HG1 ILE 37 -13.064 17.360 -23.132 279 HG21 ILE 37 1HG2 ILE 37 -10.522 14.668 -23.661 280 HG22 ILE 37 2HG2 ILE 37 -11.882 14.025 -24.581 281 HG23 ILE 37 3HG2 ILE 37 -11.389 15.705 -24.794 282 HD11 ILE 37 3HD1 ILE 37 -11.756 16.366 -20.629 283 HD12 ILE 37 1HD1 ILE 37 -11.892 18.087 -20.990 284 HD13 ILE 37 2HD1 ILE 37 -13.346 17.100 -20.833 285 H ASP 38 H ASP 38 -13.833 13.854 -25.618 286 HA ASP 38 HA ASP 38 -13.677 16.095 -27.328 287 HB2 ASP 38 1HB ASP 38 -12.947 13.795 -27.942 288 HB3 ASP 38 2HB ASP 38 -14.639 13.309 -28.009 289 H GLU 39 H GLU 39 -16.337 14.455 -25.841 290 HA GLU 39 HA GLU 39 -18.230 16.008 -27.475 291 HB2 GLU 39 1HB GLU 39 -18.314 13.385 -27.233 292 HB3 GLU 39 2HB GLU 39 -19.104 13.760 -25.708 293 HG2 GLU 39 1HG GLU 39 -20.860 13.477 -27.197 294 HG3 GLU 39 2HG GLU 39 -20.674 15.227 -27.090 295 H ASN 40 H ASN 40 -20.076 16.945 -26.387 296 HA ASN 40 HA ASN 40 -19.327 18.016 -23.781 297 HB2 ASN 40 1HB ASN 40 -21.306 19.544 -24.194 298 HB3 ASN 40 2HB ASN 40 -19.983 19.690 -25.346 299 HD21 ASN 40 1HD2 ASN 40 -20.494 19.651 -27.411 300 HD22 ASN 40 2HD2 ASN 40 -21.964 19.040 -28.082 301 H ASP 41 H ASP 41 -19.912 15.459 -23.401 302 HA ASP 41 HA ASP 41 -22.725 15.158 -22.727 303 HB2 ASP 41 1HB ASP 41 -20.354 13.315 -22.739 304 HB3 ASP 41 2HB ASP 41 -21.826 12.868 -21.881 305 H THR 42 H THR 42 -23.281 16.283 -20.953 306 HA THR 42 HA THR 42 -21.507 16.459 -18.670 307 HB THR 42 HB THR 42 -23.725 17.603 -17.727 308 HG1 THR 42 HG1 THR 42 -25.176 17.516 -19.292 309 HG21 THR 42 3HG2 THR 42 -21.410 18.575 -18.323 310 HG22 THR 42 1HG2 THR 42 -22.790 19.672 -18.279 311 HG23 THR 42 2HG2 THR 42 -22.176 19.088 -19.826 312 H ASP 43 H ASP 43 -24.415 14.749 -19.607 313 HA ASP 43 HA ASP 43 -25.066 13.795 -17.000 314 HB2 ASP 43 1HB ASP 43 -26.503 13.934 -19.218 315 HB3 ASP 43 2HB ASP 43 -25.884 12.302 -19.455 316 H VAL 44 H VAL 44 -22.886 12.782 -19.490 317 HA VAL 44 HA VAL 44 -22.567 10.099 -18.478 318 HB VAL 44 HB VAL 44 -20.907 11.626 -20.490 319 HG11 VAL 44 1HG1 VAL 44 -20.852 8.776 -19.553 320 HG12 VAL 44 2HG1 VAL 44 -20.264 9.233 -21.153 321 HG13 VAL 44 3HG1 VAL 44 -19.517 9.918 -19.709 322 HG21 VAL 44 3HG2 VAL 44 -23.147 11.356 -21.306 323 HG22 VAL 44 1HG2 VAL 44 -22.112 10.193 -22.136 324 HG23 VAL 44 2HG2 VAL 44 -23.168 9.658 -20.828 325 H MET 45 H MET 45 -21.185 13.201 -17.890 326 HA MET 45 HA MET 45 -18.634 12.595 -17.009 327 HB2 MET 45 1HB MET 45 -20.623 14.688 -16.187 328 HB3 MET 45 2HB MET 45 -19.069 14.567 -15.372 329 HG2 MET 45 1HG MET 45 -19.391 14.899 -18.343 330 HG3 MET 45 2HG MET 45 -19.150 16.231 -17.215 331 HE1 MET 45 3HE MET 45 -17.187 15.208 -15.130 332 HE2 MET 45 1HE MET 45 -15.585 15.503 -15.808 333 HE3 MET 45 2HE MET 45 -16.845 16.728 -15.957 334 H MET 46 H MET 46 -21.627 12.682 -15.076 335 HA MET 46 HA MET 46 -20.511 11.890 -12.646 336 HB2 MET 46 1HB MET 46 -22.829 12.781 -12.999 337 HB3 MET 46 2HB MET 46 -23.284 11.204 -13.631 338 HG2 MET 46 1HG MET 46 -23.983 11.283 -11.374 339 HG3 MET 46 2HG MET 46 -22.581 10.219 -11.447 340 HE1 MET 46 3HE MET 46 -24.298 12.270 -9.376 341 HE2 MET 46 1HE MET 46 -23.222 11.231 -8.441 342 HE3 MET 46 2HE MET 46 -23.124 12.984 -8.269 343 H ASP 47 H ASP 47 -22.269 9.839 -14.982 344 HA ASP 47 HA ASP 47 -21.827 7.394 -13.780 345 HB2 ASP 47 1HB ASP 47 -22.388 8.290 -16.555 346 HB3 ASP 47 2HB ASP 47 -21.785 6.646 -16.361 347 H PHE 48 H PHE 48 -19.699 9.243 -15.885 348 HA PHE 48 HA PHE 48 -17.758 7.218 -16.265 349 HB2 PHE 48 1HB PHE 48 -17.755 9.045 -17.792 350 HB3 PHE 48 2HB PHE 48 -17.641 10.224 -16.489 351 HD1 PHE 48 HD2 PHE 48 -15.783 7.511 -18.197 352 HD2 PHE 48 HD1 PHE 48 -15.565 10.977 -15.736 353 HE1 PHE 48 HE2 PHE 48 -13.332 7.510 -18.418 354 HE2 PHE 48 HE1 PHE 48 -13.115 10.983 -15.955 355 HZ PHE 48 HZ PHE 48 -11.995 9.247 -17.296 356 H ILE 49 H ILE 49 -17.870 10.001 -14.048 357 HA ILE 49 HA ILE 49 -15.462 9.579 -12.737 358 HB ILE 49 HB ILE 49 -18.025 10.667 -11.568 359 HG12 ILE 49 1HG1 ILE 49 -15.740 12.384 -12.411 360 HG13 ILE 49 2HG1 ILE 49 -16.764 11.708 -13.673 361 HG21 ILE 49 1HG2 ILE 49 -15.393 10.209 -10.425 362 HG22 ILE 49 2HG2 ILE 49 -15.906 11.891 -10.301 363 HG23 ILE 49 3HG2 ILE 49 -16.917 10.610 -9.633 364 HD11 ILE 49 3HD1 ILE 49 -18.628 12.881 -12.959 365 HD12 ILE 49 1HD1 ILE 49 -17.959 13.162 -11.352 366 HD13 ILE 49 2HD1 ILE 49 -17.312 14.035 -12.742 367 H SER 50 H SER 50 -18.668 8.251 -12.006 368 HA SER 50 HA SER 50 -17.756 6.783 -9.722 369 HB2 SER 50 1HB SER 50 -20.103 7.546 -9.966 370 HB3 SER 50 2HB SER 50 -20.304 6.440 -11.324 371 HG SER 50 HG SER 50 -20.940 5.167 -9.747 372 H ARG 51 H ARG 51 -18.037 6.169 -13.133 373 HA ARG 51 HA ARG 51 -17.944 3.343 -13.047 374 HB2 ARG 51 1HB ARG 51 -17.609 5.442 -15.102 375 HB3 ARG 51 2HB ARG 51 -16.814 3.910 -15.442 376 HG2 ARG 51 1HG ARG 51 -19.680 3.959 -14.602 377 HG3 ARG 51 2HG ARG 51 -19.230 4.310 -16.272 378 HD2 ARG 51 1HD ARG 51 -18.101 1.886 -14.961 379 HD3 ARG 51 2HD ARG 51 -19.784 1.856 -15.487 380 HE ARG 51 HE ARG 51 -18.441 2.780 -17.660 381 HH11 ARG 51 1HH1 ARG 51 -18.124 -0.024 -15.620 382 HH12 ARG 51 2HH1 ARG 51 -17.496 -1.032 -16.882 383 HH21 ARG 51 1HH2 ARG 51 -17.615 1.462 -19.329 384 HH22 ARG 51 2HH2 ARG 51 -17.207 -0.186 -18.991 385 H PHE 52 H PHE 52 -15.407 5.794 -13.488 386 HA PHE 52 HA PHE 52 -13.334 3.769 -13.393 387 HB2 PHE 52 1HB PHE 52 -13.484 6.647 -14.056 388 HB3 PHE 52 2HB PHE 52 -11.975 6.112 -13.323 389 HD1 PHE 52 HD1 PHE 52 -10.611 4.378 -14.436 390 HD2 PHE 52 HD2 PHE 52 -14.050 6.074 -16.284 391 HE1 PHE 52 HE1 PHE 52 -9.848 3.536 -16.618 392 HE2 PHE 52 HE2 PHE 52 -13.293 5.234 -18.469 393 HZ PHE 52 HZ PHE 52 -11.191 3.963 -18.639 394 H ALA 53 H ALA 53 -14.161 6.674 -11.499 395 HA ALA 53 HA ALA 53 -12.393 5.899 -9.356 396 HB1 ALA 53 3HB ALA 53 -14.204 7.974 -8.584 397 HB2 ALA 53 1HB ALA 53 -12.467 8.063 -8.876 398 HB3 ALA 53 2HB ALA 53 -13.599 8.293 -10.210 399 H ARG 54 H ARG 54 -13.105 4.017 -8.434 400 HA ARG 54 HA ARG 54 -15.852 3.580 -7.749 401 HB2 ARG 54 1HB ARG 54 -14.966 1.563 -6.577 402 HB3 ARG 54 2HB ARG 54 -14.488 1.670 -8.266 403 HG2 ARG 54 1HG ARG 54 -12.283 2.320 -7.695 404 HG3 ARG 54 2HG ARG 54 -12.728 2.578 -6.006 405 HD2 ARG 54 1HD ARG 54 -11.628 0.515 -6.006 406 HD3 ARG 54 2HD ARG 54 -13.340 0.096 -5.979 407 HE ARG 54 HE ARG 54 -12.436 0.199 -8.643 408 HH11 ARG 54 1HH1 ARG 54 -12.153 -1.737 -5.764 409 HH12 ARG 54 2HH1 ARG 54 -11.861 -3.211 -6.626 410 HH21 ARG 54 1HH2 ARG 54 -12.053 -1.735 -9.790 411 HH22 ARG 54 2HH2 ARG 54 -11.803 -3.209 -8.917 412 H THR 55 H THR 55 -16.888 3.971 -5.882 413 HA THR 55 HA THR 55 -15.585 5.616 -3.908 414 HB THR 55 HB THR 55 -17.800 5.687 -2.810 415 HG1 THR 55 HG1 THR 55 -19.003 3.985 -3.212 416 HG21 THR 55 3HG2 THR 55 -17.317 6.445 -5.615 417 HG22 THR 55 1HG2 THR 55 -17.826 7.432 -4.246 418 HG23 THR 55 2HG2 THR 55 -19.006 6.448 -5.112 419 H ASP 56 H ASP 56 -14.098 3.585 -3.596 420 HA ASP 56 HA ASP 56 -15.218 1.645 -1.741 421 HB2 ASP 56 1HB ASP 56 -13.437 1.246 -3.643 422 HB3 ASP 56 2HB ASP 56 -12.303 1.774 -2.403 423 H GLU 57 H GLU 57 -13.460 4.593 -1.675 424 HA GLU 57 HA GLU 57 -12.619 5.865 0.014 425 HB2 GLU 57 1HB GLU 57 -14.635 4.150 1.361 426 HB3 GLU 57 2HB GLU 57 -13.496 5.001 2.396 427 HG2 GLU 57 1HG GLU 57 -14.348 7.043 1.899 428 HG3 GLU 57 2HG GLU 57 -14.838 6.569 0.274 429 H ILE 58 H ILE 58 -10.566 4.792 -0.636 430 HA ILE 58 HA ILE 58 -9.543 2.736 1.120 431 HB ILE 58 HB ILE 58 -8.075 4.327 -0.985 432 HG12 ILE 58 1HG1 ILE 58 -9.278 1.563 -1.218 433 HG13 ILE 58 2HG1 ILE 58 -10.048 3.022 -1.831 434 HG21 ILE 58 1HG2 ILE 58 -6.573 3.301 0.608 435 HG22 ILE 58 2HG2 ILE 58 -7.391 1.751 0.423 436 HG23 ILE 58 3HG2 ILE 58 -6.489 2.438 -0.928 437 HD11 ILE 58 3HD1 ILE 58 -9.020 2.446 -3.734 438 HD12 ILE 58 1HD1 ILE 58 -7.622 3.221 -2.990 439 HD13 ILE 58 2HD1 ILE 58 -7.806 1.469 -2.909 440 H MET 59 H MET 59 -7.859 2.958 2.596 441 HA MET 59 HA MET 59 -7.839 5.177 4.232 442 HB2 MET 59 1HB MET 59 -5.563 4.281 5.000 443 HB3 MET 59 2HB MET 59 -6.947 3.205 5.139 444 HG2 MET 59 1HG MET 59 -6.282 1.978 3.209 445 HG3 MET 59 2HG MET 59 -5.027 3.154 2.828 446 HE1 MET 59 3HE MET 59 -5.749 -0.147 5.169 447 HE2 MET 59 1HE MET 59 -5.475 -0.033 3.430 448 HE3 MET 59 2HE MET 59 -4.204 -0.652 4.484 449 HA PRO 60 HA PRO 60 -5.369 8.274 2.344 450 HB2 PRO 60 1HB PRO 60 -4.094 9.348 4.487 451 HB3 PRO 60 2HB PRO 60 -5.817 9.592 4.172 452 HG2 PRO 60 1HG PRO 60 -4.486 7.673 6.045 453 HG3 PRO 60 2HG PRO 60 -5.919 8.682 6.310 454 HD2 PRO 60 1HD PRO 60 -6.084 6.047 5.709 455 HD3 PRO 60 2HD PRO 60 -7.309 7.223 5.191 456 H GLU 61 H GLU 61 -3.953 5.614 3.904 457 HA GLU 61 HA GLU 61 -1.230 6.230 3.852 458 HB2 GLU 61 1HB GLU 61 -2.622 3.577 3.459 459 HB3 GLU 61 2HB GLU 61 -0.890 3.756 3.704 460 HG2 GLU 61 1HG GLU 61 -3.029 4.591 5.650 461 HG3 GLU 61 2HG GLU 61 -2.050 3.130 5.758 462 H ASP 62 H ASP 62 -3.428 5.496 1.289 463 HA ASP 62 HA ASP 62 -1.781 4.506 -0.692 464 HB2 ASP 62 1HB ASP 62 -3.355 5.464 -2.301 465 HB3 ASP 62 2HB ASP 62 -4.217 4.757 -0.937 466 H LYS 63 H LYS 63 -0.642 5.483 -2.426 467 HA LYS 63 HA LYS 63 0.348 8.192 -1.816 468 HB2 LYS 63 1HB LYS 63 2.060 6.472 -1.454 469 HB3 LYS 63 2HB LYS 63 1.836 5.893 -3.100 470 HG2 LYS 63 1HG LYS 63 2.741 7.885 -4.016 471 HG3 LYS 63 2HG LYS 63 2.716 8.692 -2.446 472 HD2 LYS 63 1HD LYS 63 4.284 6.775 -1.700 473 HD3 LYS 63 2HD LYS 63 4.535 6.520 -3.429 474 HE2 LYS 63 1HE LYS 63 4.796 9.277 -2.333 475 HE3 LYS 63 2HE LYS 63 6.096 8.124 -2.036 476 HZ1 LYS 63 3HZ LYS 63 5.125 9.183 -4.614 477 HZ2 LYS 63 1HZ LYS 63 5.977 7.723 -4.546 478 HZ3 LYS 63 2HZ LYS 63 6.704 9.152 -4.006 479 H THR 64 H THR 64 0.768 9.591 -3.550 480 HA THR 64 HA THR 64 -0.966 9.212 -5.813 481 HB THR 64 HB THR 64 0.651 11.464 -6.292 482 HG1 THR 64 HG1 THR 64 1.279 12.073 -4.373 483 HG21 THR 64 3HG2 THR 64 -1.497 11.909 -6.814 484 HG22 THR 64 1HG2 THR 64 -1.593 12.489 -5.152 485 HG23 THR 64 2HG2 THR 64 -2.129 10.856 -5.549 486 H VAL 65 H VAL 65 -0.397 9.004 -7.965 487 HA VAL 65 HA VAL 65 2.416 8.278 -8.469 488 HB VAL 65 HB VAL 65 1.681 6.716 -10.154 489 HG11 VAL 65 1HG1 VAL 65 -0.202 5.802 -8.146 490 HG12 VAL 65 2HG1 VAL 65 1.350 5.118 -8.634 491 HG13 VAL 65 3HG1 VAL 65 1.292 6.408 -7.431 492 HG21 VAL 65 3HG2 VAL 65 -0.966 7.988 -9.671 493 HG22 VAL 65 1HG2 VAL 65 -0.202 7.507 -11.186 494 HG23 VAL 65 2HG2 VAL 65 -0.923 6.288 -10.135 495 H GLY 66 H GLY 66 0.206 10.630 -9.012 496 HA2 GLY 66 1HA GLY 66 1.585 12.194 -10.720 497 HA3 GLY 66 2HA GLY 66 0.747 11.107 -11.817 498 H PHE 67 H PHE 67 0.393 13.915 -11.734 499 HA PHE 67 HA PHE 67 -2.440 14.027 -10.947 500 HB2 PHE 67 1HB PHE 67 -0.526 16.355 -10.726 501 HB3 PHE 67 2HB PHE 67 -2.197 16.292 -10.175 502 HD1 PHE 67 HD2 PHE 67 1.218 15.074 -9.539 503 HD2 PHE 67 HD1 PHE 67 -2.770 15.344 -8.078 504 HE1 PHE 67 HE2 PHE 67 1.982 14.322 -7.325 505 HE2 PHE 67 HE1 PHE 67 -2.012 14.594 -5.860 506 HZ PHE 67 HZ PHE 67 0.367 14.080 -5.482 507 H VAL 68 H VAL 68 -3.762 14.576 -12.551 508 HA VAL 68 HA VAL 68 -2.599 15.864 -14.934 509 HB VAL 68 HB VAL 68 -4.954 13.976 -14.791 510 HG11 VAL 68 1HG1 VAL 68 -5.431 15.479 -16.532 511 HG12 VAL 68 2HG1 VAL 68 -3.747 15.534 -17.059 512 HG13 VAL 68 3HG1 VAL 68 -4.708 14.079 -17.325 513 HG21 VAL 68 3HG2 VAL 68 -3.526 12.443 -16.054 514 HG22 VAL 68 1HG2 VAL 68 -2.202 13.604 -15.970 515 HG23 VAL 68 2HG2 VAL 68 -2.807 12.848 -14.496 516 H VAL 69 H VAL 69 -3.158 17.936 -15.015 517 HA VAL 69 HA VAL 69 -5.706 18.810 -13.884 518 HB VAL 69 HB VAL 69 -3.490 20.512 -15.030 519 HG11 VAL 69 1HG1 VAL 69 -6.088 21.060 -13.726 520 HG12 VAL 69 2HG1 VAL 69 -4.728 22.081 -13.253 521 HG13 VAL 69 3HG1 VAL 69 -5.213 21.984 -14.946 522 HG21 VAL 69 3HG2 VAL 69 -2.306 19.912 -13.235 523 HG22 VAL 69 1HG2 VAL 69 -3.480 20.822 -12.283 524 HG23 VAL 69 2HG2 VAL 69 -3.683 19.084 -12.508 525 H VAL 70 H VAL 70 -7.422 18.872 -15.164 526 HA VAL 70 HA VAL 70 -7.103 19.851 -17.915 527 HB VAL 70 HB VAL 70 -8.696 17.415 -17.107 528 HG11 VAL 70 1HG1 VAL 70 -10.093 18.130 -18.723 529 HG12 VAL 70 2HG1 VAL 70 -8.892 19.213 -19.430 530 HG13 VAL 70 3HG1 VAL 70 -8.855 17.488 -19.802 531 HG21 VAL 70 3HG2 VAL 70 -6.994 16.925 -19.301 532 HG22 VAL 70 1HG2 VAL 70 -6.035 17.770 -18.086 533 HG23 VAL 70 2HG2 VAL 70 -6.872 16.276 -17.666 534 H ASN 71 H ASN 71 -8.294 21.620 -18.112 535 HA ASN 71 HA ASN 71 -10.986 21.653 -16.941 536 HB2 ASN 71 1HB ASN 71 -10.572 24.124 -16.429 537 HB3 ASN 71 2HB ASN 71 -9.789 22.954 -15.371 538 HD21 ASN 71 1HD2 ASN 71 -7.685 23.145 -15.054 539 HD22 ASN 71 2HD2 ASN 71 -6.608 24.113 -15.996 540 H ALA 72 H ALA 72 -12.460 22.099 -18.431 541 HA ALA 72 HA ALA 72 -11.739 22.888 -21.072 542 HB1 ALA 72 3HB ALA 72 -14.078 22.734 -21.582 543 HB2 ALA 72 1HB ALA 72 -13.644 21.388 -20.529 544 HB3 ALA 72 2HB ALA 72 -14.501 22.782 -19.871 545 H ASP 73 H ASP 73 -13.084 24.543 -18.280 546 HA ASP 73 HA ASP 73 -14.019 26.876 -19.414 547 HB2 ASP 73 1HB ASP 73 -14.402 26.633 -17.113 548 HB3 ASP 73 2HB ASP 73 -12.706 26.305 -16.772 549 H LYS 74 H LYS 74 -10.713 26.273 -18.226 550 HA LYS 74 HA LYS 74 -9.797 28.635 -19.699 551 HB2 LYS 74 1HB LYS 74 -8.620 27.003 -17.466 552 HB3 LYS 74 2HB LYS 74 -7.618 28.091 -18.416 553 HG2 LYS 74 1HG LYS 74 -10.131 29.106 -17.170 554 HG3 LYS 74 2HG LYS 74 -8.678 28.903 -16.189 555 HD2 LYS 74 1HD LYS 74 -7.454 30.290 -17.883 556 HD3 LYS 74 2HD LYS 74 -9.011 30.619 -18.646 557 HE2 LYS 74 1HE LYS 74 -8.596 31.142 -15.726 558 HE3 LYS 74 2HE LYS 74 -8.059 32.311 -16.931 559 HZ1 LYS 74 3HZ LYS 74 -10.121 33.075 -16.998 560 HZ2 LYS 74 1HZ LYS 74 -10.660 31.871 -15.939 561 HZ3 LYS 74 2HZ LYS 74 -10.651 31.588 -17.606 562 H LYS 75 H LYS 75 -10.407 25.722 -20.630 563 HA LYS 75 HA LYS 75 -9.460 24.114 -21.975 564 HB2 LYS 75 1HB LYS 75 -8.476 25.097 -24.034 565 HB3 LYS 75 2HB LYS 75 -10.006 25.835 -23.577 566 HG2 LYS 75 1HG LYS 75 -8.864 27.754 -22.674 567 HG3 LYS 75 2HG LYS 75 -7.296 27.002 -22.976 568 HD2 LYS 75 1HD LYS 75 -7.456 27.287 -25.267 569 HD3 LYS 75 2HD LYS 75 -9.217 27.396 -25.233 570 HE2 LYS 75 1HE LYS 75 -9.167 29.600 -24.407 571 HE3 LYS 75 2HE LYS 75 -7.464 29.481 -23.965 572 HZ1 LYS 75 3HZ LYS 75 -6.898 30.224 -25.958 573 HZ2 LYS 75 1HZ LYS 75 -8.532 30.453 -26.332 574 HZ3 LYS 75 2HZ LYS 75 -7.770 28.996 -26.728 575 H LEU 76 H LEU 76 -7.983 23.985 -19.816 576 HA LEU 76 HA LEU 76 -5.182 24.142 -20.711 577 HB2 LEU 76 1HB LEU 76 -6.167 23.937 -17.874 578 HB3 LEU 76 2HB LEU 76 -4.523 24.268 -18.416 579 HG LEU 76 HG LEU 76 -6.882 26.120 -18.755 580 HD11 LEU 76 1HD1 LEU 76 -6.512 26.663 -16.632 581 HD12 LEU 76 2HD1 LEU 76 -4.962 27.319 -17.157 582 HD13 LEU 76 3HD1 LEU 76 -5.060 25.665 -16.554 583 HD21 LEU 76 3HD2 LEU 76 -3.987 26.795 -19.153 584 HD22 LEU 76 1HD2 LEU 76 -5.417 27.676 -19.691 585 HD23 LEU 76 2HD2 LEU 76 -4.973 26.157 -20.469 586 H MET 77 H MET 77 -3.975 22.331 -20.800 587 HA MET 77 HA MET 77 -5.063 19.868 -19.627 588 HB2 MET 77 1HB MET 77 -4.100 20.262 -22.458 589 HB3 MET 77 2HB MET 77 -4.232 18.674 -21.713 590 HG2 MET 77 1HG MET 77 -6.230 18.821 -22.813 591 HG3 MET 77 2HG MET 77 -6.675 19.415 -21.215 592 HE1 MET 77 3HE MET 77 -8.882 21.295 -23.730 593 HE2 MET 77 1HE MET 77 -8.648 19.821 -22.789 594 HE3 MET 77 2HE MET 77 -8.885 21.363 -21.967 595 H SER 78 H SER 78 -3.621 19.102 -18.242 596 HA SER 78 HA SER 78 -0.791 19.075 -19.000 597 HB2 SER 78 1HB SER 78 -1.748 19.958 -16.268 598 HB3 SER 78 2HB SER 78 -0.078 19.883 -16.830 599 HG SER 78 HG SER 78 -0.756 21.987 -17.028 600 H VAL 79 H VAL 79 0.063 17.125 -18.727 601 HA VAL 79 HA VAL 79 -1.269 15.262 -16.871 602 HB VAL 79 HB VAL 79 -0.224 13.460 -18.340 603 HG11 VAL 79 1HG1 VAL 79 -2.332 13.269 -19.005 604 HG12 VAL 79 2HG1 VAL 79 -2.622 14.965 -18.613 605 HG13 VAL 79 3HG1 VAL 79 -2.060 14.514 -20.223 606 HG21 VAL 79 3HG2 VAL 79 0.887 13.964 -20.219 607 HG22 VAL 79 1HG2 VAL 79 -0.252 15.237 -20.660 608 HG23 VAL 79 2HG2 VAL 79 1.051 15.576 -19.521 609 H SER 80 H SER 80 -0.097 15.117 -15.070 610 HA SER 80 HA SER 80 2.835 15.101 -15.284 611 HB2 SER 80 1HB SER 80 1.308 15.399 -12.707 612 HB3 SER 80 2HB SER 80 2.951 15.918 -13.081 613 HG SER 80 HG SER 80 0.541 17.173 -13.569 614 H PHE 81 H PHE 81 3.346 13.003 -15.682 615 HA PHE 81 HA PHE 81 2.212 10.934 -13.941 616 HB2 PHE 81 1HB PHE 81 3.594 10.867 -16.608 617 HB3 PHE 81 2HB PHE 81 3.484 9.414 -15.620 618 HD1 PHE 81 HD1 PHE 81 1.181 12.175 -16.634 619 HD2 PHE 81 HD2 PHE 81 1.811 7.985 -16.233 620 HE1 PHE 81 HE1 PHE 81 -1.078 11.755 -17.514 621 HE2 PHE 81 HE2 PHE 81 -0.447 7.558 -17.113 622 HZ PHE 81 HZ PHE 81 -1.894 9.444 -17.756 623 H SER 82 H SER 82 3.411 9.816 -12.503 624 HA SER 82 HA SER 82 5.959 10.866 -11.748 625 HB2 SER 82 1HB SER 82 4.202 9.909 -10.177 626 HB3 SER 82 2HB SER 82 4.708 8.312 -10.729 627 HG SER 82 HG SER 82 5.772 9.647 -8.799 628 H ASP 83 H ASP 83 7.460 8.733 -10.973 629 HA ASP 83 HA ASP 83 8.946 8.091 -13.206 630 HB2 ASP 83 1HB ASP 83 8.684 6.728 -10.532 631 HB3 ASP 83 2HB ASP 83 9.804 6.146 -11.761 632 H ILE 84 H ILE 84 8.052 7.199 -14.973 633 HA ILE 84 HA ILE 84 6.756 4.576 -14.646 634 HB ILE 84 HB ILE 84 5.365 5.162 -16.674 635 HG12 ILE 84 1HG1 ILE 84 5.719 8.037 -15.976 636 HG13 ILE 84 2HG1 ILE 84 6.952 7.283 -16.982 637 HG21 ILE 84 1HG2 ILE 84 3.642 6.165 -15.384 638 HG22 ILE 84 2HG2 ILE 84 4.571 5.143 -14.289 639 HG23 ILE 84 3HG2 ILE 84 4.806 6.890 -14.275 640 HD11 ILE 84 3HD1 ILE 84 5.607 7.183 -18.770 641 HD12 ILE 84 1HD1 ILE 84 4.183 6.780 -17.812 642 HD13 ILE 84 2HD1 ILE 84 4.722 8.455 -17.930 643 H ASP 85 H ASP 85 6.518 3.640 -17.067 644 HA ASP 85 HA ASP 85 9.244 3.312 -17.960 645 HB2 ASP 85 1HB ASP 85 6.829 2.098 -19.283 646 HB3 ASP 85 2HB ASP 85 8.473 1.470 -19.206 647 H GLU 86 H GLU 86 9.838 3.446 -20.248 648 HA GLU 86 HA GLU 86 9.032 5.959 -21.358 649 HB2 GLU 86 1HB GLU 86 10.655 5.445 -23.136 650 HB3 GLU 86 2HB GLU 86 11.345 5.227 -21.534 651 HG2 GLU 86 1HG GLU 86 10.589 2.738 -21.906 652 HG3 GLU 86 2HG GLU 86 10.676 3.204 -23.604 653 H ASN 87 H ASN 87 8.528 2.564 -22.191 654 HA ASN 87 HA ASN 87 7.384 2.808 -24.688 655 HB2 ASN 87 1HB ASN 87 5.998 0.748 -23.936 656 HB3 ASN 87 2HB ASN 87 7.754 0.612 -23.977 657 HD21 ASN 87 1HD2 ASN 87 8.882 0.370 -22.094 658 HD22 ASN 87 2HD2 ASN 87 8.125 0.092 -20.566 659 H MET 88 H MET 88 5.673 2.814 -21.558 660 HA MET 88 HA MET 88 3.138 3.405 -22.658 661 HB2 MET 88 1HB MET 88 3.849 2.516 -20.283 662 HB3 MET 88 2HB MET 88 3.856 4.227 -19.874 663 HG2 MET 88 1HG MET 88 1.617 4.389 -19.932 664 HG3 MET 88 2HG MET 88 1.466 3.285 -21.297 665 HE1 MET 88 3HE MET 88 0.760 3.059 -17.130 666 HE2 MET 88 1HE MET 88 0.199 4.033 -18.489 667 HE3 MET 88 2HE MET 88 -0.627 2.530 -18.083 668 H LYS 89 H LYS 89 5.849 5.377 -21.753 669 HA LYS 89 HA LYS 89 4.596 7.852 -21.416 670 HB2 LYS 89 1HB LYS 89 7.046 7.206 -21.006 671 HB3 LYS 89 2HB LYS 89 7.290 7.514 -22.720 672 HG2 LYS 89 1HG LYS 89 7.909 9.505 -21.699 673 HG3 LYS 89 2HG LYS 89 6.264 9.815 -22.259 674 HD2 LYS 89 1HD LYS 89 6.320 10.659 -20.069 675 HD3 LYS 89 2HD LYS 89 5.517 9.093 -19.926 676 HE2 LYS 89 1HE LYS 89 7.126 9.345 -18.143 677 HE3 LYS 89 2HE LYS 89 7.667 8.087 -19.254 678 HZ1 LYS 89 3HZ LYS 89 9.386 9.754 -18.480 679 HZ2 LYS 89 1HZ LYS 89 8.612 10.882 -19.476 680 HZ3 LYS 89 2HZ LYS 89 9.294 9.487 -20.148 681 H LYS 90 H LYS 90 5.240 6.005 -24.271 682 HA LYS 90 HA LYS 90 5.060 8.129 -26.153 683 HB2 LYS 90 1HB LYS 90 6.100 5.926 -26.640 684 HB3 LYS 90 2HB LYS 90 4.507 5.185 -26.567 685 HG2 LYS 90 1HG LYS 90 4.680 5.466 -28.811 686 HG3 LYS 90 2HG LYS 90 3.966 7.024 -28.389 687 HD2 LYS 90 1HD LYS 90 6.913 6.876 -28.287 688 HD3 LYS 90 2HD LYS 90 6.186 6.755 -29.891 689 HE2 LYS 90 1HE LYS 90 5.275 8.900 -28.028 690 HE3 LYS 90 2HE LYS 90 6.810 9.090 -28.875 691 HZ1 LYS 90 3HZ LYS 90 5.754 9.584 -30.748 692 HZ2 LYS 90 1HZ LYS 90 4.319 9.677 -29.856 693 HZ3 LYS 90 2HZ LYS 90 4.739 8.235 -30.635 694 H VAL 91 H VAL 91 2.732 5.589 -25.225 695 HA VAL 91 HA VAL 91 0.576 6.638 -26.705 696 HB VAL 91 HB VAL 91 0.524 4.342 -25.964 697 HG11 VAL 91 1HG1 VAL 91 0.439 5.461 -23.164 698 HG12 VAL 91 2HG1 VAL 91 0.221 3.763 -23.590 699 HG13 VAL 91 3HG1 VAL 91 1.766 4.558 -23.893 700 HG21 VAL 91 3HG2 VAL 91 -1.624 5.451 -26.298 701 HG22 VAL 91 1HG2 VAL 91 -1.731 4.243 -25.017 702 HG23 VAL 91 2HG2 VAL 91 -1.636 5.956 -24.608 703 H ILE 92 H ILE 92 1.747 7.263 -23.460 704 HA ILE 92 HA ILE 92 -0.534 8.699 -22.558 705 HB ILE 92 HB ILE 92 2.324 8.780 -21.589 706 HG12 ILE 92 1HG1 ILE 92 -0.008 7.459 -20.226 707 HG13 ILE 92 2HG1 ILE 92 0.906 6.615 -21.471 708 HG21 ILE 92 1HG2 ILE 92 -0.185 9.906 -20.356 709 HG22 ILE 92 2HG2 ILE 92 1.365 9.763 -19.528 710 HG23 ILE 92 3HG2 ILE 92 1.212 10.813 -20.936 711 HD11 ILE 92 3HD1 ILE 92 1.566 6.191 -19.067 712 HD12 ILE 92 1HD1 ILE 92 2.863 6.620 -20.182 713 HD13 ILE 92 2HD1 ILE 92 2.223 7.827 -19.067 714 H LYS 93 H LYS 93 2.690 9.821 -23.595 715 HA LYS 93 HA LYS 93 2.102 12.557 -23.559 716 HB2 LYS 93 1HB LYS 93 4.135 12.881 -24.708 717 HB3 LYS 93 2HB LYS 93 4.383 11.430 -23.746 718 HG2 LYS 93 1HG LYS 93 3.988 10.044 -25.708 719 HG3 LYS 93 2HG LYS 93 3.699 11.490 -26.679 720 HD2 LYS 93 1HD LYS 93 5.952 10.738 -27.059 721 HD3 LYS 93 2HD LYS 93 6.004 12.245 -26.142 722 HE2 LYS 93 1HE LYS 93 6.294 10.941 -24.070 723 HE3 LYS 93 2HE LYS 93 6.305 9.458 -25.024 724 HZ1 LYS 93 3HZ LYS 93 8.192 11.463 -25.898 725 HZ2 LYS 93 1HZ LYS 93 8.405 9.800 -25.671 726 HZ3 LYS 93 2HZ LYS 93 8.496 10.852 -24.350 727 H ALA 94 H ALA 94 1.560 10.104 -26.000 728 HA ALA 94 HA ALA 94 0.955 11.877 -28.136 729 HB1 ALA 94 3HB ALA 94 1.561 9.675 -28.726 730 HB2 ALA 94 1HB ALA 94 0.345 8.972 -27.660 731 HB3 ALA 94 2HB ALA 94 -0.151 9.823 -29.123 732 H THR 95 H THR 95 -1.107 10.012 -25.912 733 HA THR 95 HA THR 95 -3.567 10.940 -26.901 734 HB THR 95 HB THR 95 -2.892 9.977 -24.114 735 HG1 THR 95 HG1 THR 95 -3.470 7.982 -24.889 736 HG21 THR 95 3HG2 THR 95 -5.412 10.841 -25.386 737 HG22 THR 95 1HG2 THR 95 -4.954 10.808 -23.683 738 HG23 THR 95 2HG2 THR 95 -5.485 9.328 -24.483 739 H ALA 96 H ALA 96 -1.343 12.260 -24.529 740 HA ALA 96 HA ALA 96 -3.151 14.288 -23.603 741 HB1 ALA 96 3HB ALA 96 -0.932 15.232 -22.649 742 HB2 ALA 96 1HB ALA 96 -1.582 13.727 -22.000 743 HB3 ALA 96 2HB ALA 96 -0.256 13.686 -23.162 744 H GLU 97 H GLU 97 -0.618 14.061 -26.022 745 HA GLU 97 HA GLU 97 -0.437 16.856 -26.535 746 HB2 GLU 97 1HB GLU 97 0.526 14.375 -27.888 747 HB3 GLU 97 2HB GLU 97 0.531 15.881 -28.794 748 HG2 GLU 97 1HG GLU 97 2.058 16.887 -27.334 749 HG3 GLU 97 2HG GLU 97 1.805 15.664 -26.091 750 H LYS 98 H LYS 98 -2.395 14.240 -27.800 751 HA LYS 98 HA LYS 98 -3.383 15.409 -30.117 752 HB2 LYS 98 1HB LYS 98 -3.889 13.094 -28.664 753 HB3 LYS 98 2HB LYS 98 -5.431 13.941 -28.656 754 HG2 LYS 98 1HG LYS 98 -5.367 12.446 -30.525 755 HG3 LYS 98 2HG LYS 98 -5.307 14.106 -31.120 756 HD2 LYS 98 1HD LYS 98 -2.679 13.615 -30.908 757 HD3 LYS 98 2HD LYS 98 -3.257 11.975 -31.211 758 HE2 LYS 98 1HE LYS 98 -3.753 14.409 -32.923 759 HE3 LYS 98 2HE LYS 98 -2.689 13.055 -33.303 760 HZ1 LYS 98 3HZ LYS 98 -4.585 12.527 -34.461 761 HZ2 LYS 98 1HZ LYS 98 -5.628 13.154 -33.286 762 HZ3 LYS 98 2HZ LYS 98 -4.845 11.679 -33.021 763 H PHE 99 H PHE 99 -4.204 15.997 -26.775 764 HA PHE 99 HA PHE 99 -6.656 17.282 -27.068 765 HB2 PHE 99 1HB PHE 99 -4.454 17.412 -25.056 766 HB3 PHE 99 2HB PHE 99 -5.725 18.628 -24.985 767 HD1 PHE 99 HD1 PHE 99 -4.953 15.061 -24.657 768 HD2 PHE 99 HD2 PHE 99 -7.957 18.058 -24.320 769 HE1 PHE 99 HE1 PHE 99 -6.390 13.479 -23.439 770 HE2 PHE 99 HE2 PHE 99 -9.398 16.480 -23.101 771 HZ PHE 99 HZ PHE 99 -8.615 14.188 -22.658 772 H LYS 100 H LYS 100 -3.483 18.320 -27.920 773 HA LYS 100 HA LYS 100 -3.620 21.064 -27.818 774 HB2 LYS 100 1HB LYS 100 -1.586 20.014 -28.498 775 HB3 LYS 100 2HB LYS 100 -2.363 19.259 -29.883 776 HG2 LYS 100 1HG LYS 100 -0.972 21.116 -30.579 777 HG3 LYS 100 2HG LYS 100 -2.673 21.454 -30.910 778 HD2 LYS 100 1HD LYS 100 -2.737 22.724 -28.743 779 HD3 LYS 100 2HD LYS 100 -0.984 22.535 -28.659 780 HE2 LYS 100 1HE LYS 100 -2.388 23.766 -31.019 781 HE3 LYS 100 2HE LYS 100 -1.836 24.710 -29.636 782 HZ1 LYS 100 3HZ LYS 100 -0.358 24.034 -31.839 783 HZ2 LYS 100 1HZ LYS 100 0.212 22.995 -30.632 784 HZ3 LYS 100 2HZ LYS 100 0.238 24.669 -30.388 785 H ASN 101 H ASN 101 -5.224 18.886 -30.026 786 HA ASN 101 HA ASN 101 -5.919 20.564 -32.101 787 HB2 ASN 101 1HB ASN 101 -7.205 18.183 -30.844 788 HB3 ASN 101 2HB ASN 101 -8.143 19.114 -32.008 789 HD21 ASN 101 1HD2 ASN 101 -6.980 16.384 -32.091 790 HD22 ASN 101 2HD2 ASN 101 -6.039 16.342 -33.540 791 H LYS 102 H LYS 102 -7.451 20.221 -28.935 792 HA LYS 102 HA LYS 102 -8.942 22.702 -29.479 793 HB2 LYS 102 1HB LYS 102 -10.755 21.798 -28.011 794 HB3 LYS 102 2HB LYS 102 -10.556 20.928 -29.526 795 HG2 LYS 102 1HG LYS 102 -9.121 19.931 -27.121 796 HG3 LYS 102 2HG LYS 102 -10.860 19.660 -27.247 797 HD2 LYS 102 1HD LYS 102 -10.316 18.785 -29.618 798 HD3 LYS 102 2HD LYS 102 -8.658 18.669 -29.024 799 HE2 LYS 102 1HE LYS 102 -9.681 16.544 -28.701 800 HE3 LYS 102 2HE LYS 102 -9.534 17.303 -27.116 801 HZ1 LYS 102 3HZ LYS 102 -12.022 17.878 -28.435 802 HZ2 LYS 102 1HZ LYS 102 -11.734 17.337 -26.858 803 HZ3 LYS 102 2HZ LYS 102 -11.798 16.228 -28.133 804 H GLY 103 H GLY 103 -6.345 22.151 -28.133 805 HA2 GLY 103 1HA GLY 103 -6.835 23.789 -25.805 806 HA3 GLY 103 2HA GLY 103 -6.297 22.159 -25.424 807 H PHE 104 H PHE 104 -5.423 25.156 -27.049 808 HA PHE 104 HA PHE 104 -2.886 24.549 -27.942 809 HB2 PHE 104 1HB PHE 104 -2.454 26.873 -27.991 810 HB3 PHE 104 2HB PHE 104 -4.194 26.727 -28.213 811 HD1 PHE 104 HD1 PHE 104 -5.513 26.688 -25.858 812 HD2 PHE 104 HD2 PHE 104 -1.747 28.532 -26.589 813 HE1 PHE 104 HE1 PHE 104 -5.885 28.195 -23.949 814 HE2 PHE 104 HE2 PHE 104 -2.112 30.041 -24.681 815 HZ PHE 104 HZ PHE 104 -4.182 29.874 -23.357 816 H LYS 105 H LYS 105 -3.997 25.095 -24.687 817 HA LYS 105 HA LYS 105 -1.320 25.286 -23.599 818 HB2 LYS 105 1HB LYS 105 -3.587 26.352 -22.735 819 HB3 LYS 105 2HB LYS 105 -3.714 24.822 -21.878 820 HG2 LYS 105 1HG LYS 105 -2.586 25.925 -20.284 821 HG3 LYS 105 2HG LYS 105 -1.182 25.497 -21.263 822 HD2 LYS 105 1HD LYS 105 -2.558 27.962 -22.080 823 HD3 LYS 105 2HD LYS 105 -1.809 28.024 -20.483 824 HE2 LYS 105 1HE LYS 105 -0.024 28.664 -21.743 825 HE3 LYS 105 2HE LYS 105 0.207 26.917 -21.804 826 HZ1 LYS 105 3HZ LYS 105 -1.464 27.420 -23.888 827 HZ2 LYS 105 1HZ LYS 105 0.207 27.175 -24.000 828 HZ3 LYS 105 2HZ LYS 105 -0.414 28.746 -23.919 829 H VAL 106 H VAL 106 -0.329 23.337 -24.089 830 HA VAL 106 HA VAL 106 -1.440 20.980 -22.710 831 HB VAL 106 HB VAL 106 0.207 21.016 -25.243 832 HG11 VAL 106 1HG1 VAL 106 -0.884 18.725 -23.617 833 HG12 VAL 106 2HG1 VAL 106 -0.236 18.566 -25.251 834 HG13 VAL 106 3HG1 VAL 106 0.810 19.099 -23.934 835 HG21 VAL 106 3HG2 VAL 106 -2.277 19.668 -25.523 836 HG22 VAL 106 1HG2 VAL 106 -2.588 21.253 -24.815 837 HG23 VAL 106 2HG2 VAL 106 -1.718 21.125 -26.344 838 H GLU 107 H GLU 107 -0.241 20.273 -21.080 839 HA GLU 107 HA GLU 107 2.669 20.698 -21.175 840 HB2 GLU 107 1HB GLU 107 1.345 22.271 -19.616 841 HB3 GLU 107 2HB GLU 107 1.111 20.850 -18.607 842 HG2 GLU 107 1HG GLU 107 3.386 20.665 -18.130 843 HG3 GLU 107 2HG GLU 107 3.845 21.706 -19.477 844 H THR 108 H THR 108 3.903 19.213 -19.825 845 HA THR 108 HA THR 108 2.528 16.790 -18.970 846 HB THR 108 HB THR 108 3.888 15.286 -20.262 847 HG1 THR 108 HG1 THR 108 5.816 16.198 -20.607 848 HG21 THR 108 3HG2 THR 108 1.835 16.399 -21.306 849 HG22 THR 108 1HG2 THR 108 2.963 15.603 -22.402 850 HG23 THR 108 2HG2 THR 108 2.980 17.359 -22.242 851 H ASP 109 H ASP 109 3.934 15.333 -17.750 852 HA ASP 109 HA ASP 109 5.381 16.581 -15.766 853 HB2 ASP 109 1HB ASP 109 6.448 14.245 -15.455 854 HB3 ASP 109 2HB ASP 109 4.701 14.395 -15.287 855 H MET 110 H MET 110 7.214 17.684 -15.832 856 HA MET 110 HA MET 110 9.045 17.393 -18.044 857 HB2 MET 110 1HB MET 110 8.352 19.569 -16.787 858 HB3 MET 110 2HB MET 110 9.583 19.086 -15.627 859 HG2 MET 110 1HG MET 110 10.244 19.229 -18.533 860 HG3 MET 110 2HG MET 110 10.186 20.698 -17.562 861 HE1 MET 110 3HE MET 110 13.268 20.082 -18.793 862 HE2 MET 110 1HE MET 110 13.719 18.436 -18.345 863 HE3 MET 110 2HE MET 110 12.225 18.729 -19.235 Start of MODEL 10 1 H MET 1 H MET 1 2.051 -0.346 0.322 2 HA MET 1 HA MET 1 3.151 0.777 -1.813 3 HB2 MET 1 1HB MET 1 3.144 -1.508 -2.939 4 HB3 MET 1 2HB MET 1 3.809 -1.433 -1.313 5 HG2 MET 1 1HG MET 1 1.751 -2.323 -0.400 6 HG3 MET 1 2HG MET 1 1.021 -2.331 -2.004 7 HE1 MET 1 3HE MET 1 0.418 -4.763 -1.058 8 HE2 MET 1 1HE MET 1 0.602 -4.831 -2.811 9 HE3 MET 1 2HE MET 1 1.307 -6.094 -1.801 10 H THR 2 H THR 2 0.302 1.561 -1.614 11 HA THR 2 HA THR 2 -0.703 0.787 -4.258 12 HB THR 2 HB THR 2 -2.167 2.418 -2.183 13 HG1 THR 2 HG1 THR 2 -1.852 0.494 -1.172 14 HG21 THR 2 3HG2 THR 2 -4.039 1.041 -3.554 15 HG22 THR 2 1HG2 THR 2 -2.817 1.237 -4.810 16 HG23 THR 2 2HG2 THR 2 -3.490 2.655 -4.005 17 H LEU 3 H LEU 3 -0.428 2.097 -5.931 18 HA LEU 3 HA LEU 3 0.263 4.907 -5.426 19 HB2 LEU 3 1HB LEU 3 1.029 2.917 -7.455 20 HB3 LEU 3 2HB LEU 3 0.761 4.550 -8.061 21 HG LEU 3 HG LEU 3 2.484 5.422 -6.624 22 HD11 LEU 3 1HD1 LEU 3 2.749 2.612 -5.564 23 HD12 LEU 3 2HD1 LEU 3 2.115 4.002 -4.684 24 HD13 LEU 3 3HD1 LEU 3 3.809 3.966 -5.173 25 HD21 LEU 3 3HD2 LEU 3 3.340 2.929 -8.089 26 HD22 LEU 3 1HD2 LEU 3 4.441 4.176 -7.501 27 HD23 LEU 3 2HD2 LEU 3 3.246 4.567 -8.739 28 H CYS 4 H CYS 4 -1.453 6.201 -5.513 29 HA CYS 4 HA CYS 4 -3.524 5.669 -7.532 30 HB2 CYS 4 1HB CYS 4 -5.048 6.937 -6.159 31 HB3 CYS 4 2HB CYS 4 -4.246 5.745 -5.144 32 HG CYS 4 HG CYS 4 -3.190 8.989 -5.298 33 H ALA 5 H ALA 5 -4.444 7.478 -8.675 34 HA ALA 5 HA ALA 5 -2.598 9.764 -8.915 35 HB1 ALA 5 3HB ALA 5 -2.463 8.138 -10.816 36 HB2 ALA 5 1HB ALA 5 -4.134 8.550 -11.203 37 HB3 ALA 5 2HB ALA 5 -2.879 9.788 -11.279 38 H MET 6 H MET 6 -3.514 11.784 -9.400 39 HA MET 6 HA MET 6 -6.391 11.956 -8.812 40 HB2 MET 6 1HB MET 6 -4.172 13.968 -8.420 41 HB3 MET 6 2HB MET 6 -5.876 14.328 -8.176 42 HG2 MET 6 1HG MET 6 -4.524 12.087 -6.720 43 HG3 MET 6 2HG MET 6 -4.460 13.748 -6.134 44 HE1 MET 6 3HE MET 6 -5.448 11.572 -4.315 45 HE2 MET 6 1HE MET 6 -7.181 11.251 -4.241 46 HE3 MET 6 2HE MET 6 -6.205 10.529 -5.520 47 H TYR 7 H TYR 7 -7.559 12.167 -10.605 48 HA TYR 7 HA TYR 7 -6.471 13.742 -12.834 49 HB2 TYR 7 1HB TYR 7 -7.422 11.262 -12.982 50 HB3 TYR 7 2HB TYR 7 -8.953 12.117 -13.133 51 HD1 TYR 7 HD1 TYR 7 -8.710 14.244 -14.843 52 HD2 TYR 7 HD2 TYR 7 -6.460 10.636 -14.972 53 HE1 TYR 7 HE1 TYR 7 -8.275 14.608 -17.237 54 HE2 TYR 7 HE2 TYR 7 -6.018 10.990 -17.366 55 HH TYR 7 HH TYR 7 -6.277 13.763 -18.893 56 H ASN 8 H ASN 8 -7.053 15.813 -12.643 57 HA ASN 8 HA ASN 8 -9.677 16.514 -11.591 58 HB2 ASN 8 1HB ASN 8 -7.376 17.683 -11.083 59 HB3 ASN 8 2HB ASN 8 -7.710 18.542 -12.584 60 HD21 ASN 8 1HD2 ASN 8 -7.495 19.948 -10.296 61 HD22 ASN 8 2HD2 ASN 8 -9.040 20.542 -9.803 62 H ILE 9 H ILE 9 -11.363 16.768 -12.886 63 HA ILE 9 HA ILE 9 -10.897 17.691 -15.645 64 HB ILE 9 HB ILE 9 -11.491 15.343 -15.727 65 HG12 ILE 9 1HG1 ILE 9 -13.853 17.069 -16.506 66 HG13 ILE 9 2HG1 ILE 9 -12.389 16.866 -17.462 67 HG21 ILE 9 1HG2 ILE 9 -12.651 15.336 -13.506 68 HG22 ILE 9 2HG2 ILE 9 -14.054 16.038 -14.309 69 HG23 ILE 9 3HG2 ILE 9 -13.480 14.438 -14.778 70 HD11 ILE 9 3HD1 ILE 9 -13.585 14.326 -16.770 71 HD12 ILE 9 1HD1 ILE 9 -14.700 15.374 -17.646 72 HD13 ILE 9 2HD1 ILE 9 -13.131 14.974 -18.346 73 H SER 10 H SER 10 -11.887 19.534 -16.108 74 HA SER 10 HA SER 10 -14.403 20.188 -14.740 75 HB2 SER 10 1HB SER 10 -12.429 22.371 -15.288 76 HB3 SER 10 2HB SER 10 -13.707 22.298 -14.075 77 HG SER 10 HG SER 10 -11.229 20.917 -14.060 78 H MET 11 H MET 11 -15.707 19.878 -16.485 79 HA MET 11 HA MET 11 -15.166 20.474 -19.138 80 HB2 MET 11 1HB MET 11 -17.209 19.278 -17.938 81 HB3 MET 11 2HB MET 11 -17.944 20.864 -18.129 82 HG2 MET 11 1HG MET 11 -17.996 20.722 -20.413 83 HG3 MET 11 2HG MET 11 -16.646 19.592 -20.481 84 HE1 MET 11 3HE MET 11 -20.557 18.386 -21.572 85 HE2 MET 11 1HE MET 11 -20.587 19.848 -20.585 86 HE3 MET 11 2HE MET 11 -19.475 19.727 -21.949 87 H ALA 12 H ALA 12 -16.553 22.155 -20.405 88 HA ALA 12 HA ALA 12 -15.538 24.680 -19.960 89 HB1 ALA 12 3HB ALA 12 -16.961 23.557 -21.948 90 HB2 ALA 12 1HB ALA 12 -18.193 24.603 -21.241 91 HB3 ALA 12 2HB ALA 12 -16.672 25.292 -21.813 92 H GLY 13 H GLY 13 -18.970 23.815 -19.455 93 HA2 GLY 13 1HA GLY 13 -19.084 25.934 -17.407 94 HA3 GLY 13 2HA GLY 13 -20.457 25.376 -18.351 95 H SER 14 H SER 14 -18.013 24.049 -16.119 96 HA SER 14 HA SER 14 -20.054 23.013 -14.384 97 HB2 SER 14 1HB SER 14 -18.331 21.069 -15.940 98 HB3 SER 14 2HB SER 14 -19.395 20.639 -14.601 99 HG SER 14 HG SER 14 -21.100 21.645 -15.951 100 H HIS 15 H HIS 15 -19.227 22.242 -12.395 101 HA HIS 15 HA HIS 15 -16.822 23.498 -11.570 102 HB2 HIS 15 1HB HIS 15 -18.875 21.762 -10.291 103 HB3 HIS 15 2HB HIS 15 -17.310 21.892 -9.494 104 HD1 HIS 15 HD1 HIS 15 -20.515 23.488 -9.640 105 HD2 HIS 15 HD2 HIS 15 -16.608 24.768 -9.046 106 HE1 HIS 15 HE1 HIS 15 -20.706 25.754 -8.565 107 HA PRO 16 HA PRO 16 -13.739 20.440 -12.184 108 HB2 PRO 16 1HB PRO 16 -12.260 20.627 -9.915 109 HB3 PRO 16 2HB PRO 16 -12.251 21.869 -11.172 110 HG2 PRO 16 1HG PRO 16 -13.751 21.808 -8.582 111 HG3 PRO 16 2HG PRO 16 -12.879 23.154 -9.339 112 HD2 PRO 16 1HD PRO 16 -15.572 22.905 -9.471 113 HD3 PRO 16 2HD PRO 16 -14.616 23.637 -10.775 114 H THR 17 H THR 17 -13.596 18.286 -11.995 115 HA THR 17 HA THR 17 -14.762 17.026 -9.597 116 HB THR 17 HB THR 17 -14.780 16.020 -12.448 117 HG1 THR 17 HG1 THR 17 -16.963 16.606 -10.717 118 HG21 THR 17 3HG2 THR 17 -14.829 13.972 -11.546 119 HG22 THR 17 1HG2 THR 17 -16.432 14.392 -10.942 120 HG23 THR 17 2HG2 THR 17 -15.016 14.611 -9.913 121 H THR 18 H THR 18 -13.375 15.917 -8.400 122 HA THR 18 HA THR 18 -10.740 15.283 -9.445 123 HB THR 18 HB THR 18 -11.583 14.522 -6.681 124 HG1 THR 18 HG1 THR 18 -12.015 16.525 -6.185 125 HG21 THR 18 3HG2 THR 18 -9.211 14.427 -8.006 126 HG22 THR 18 1HG2 THR 18 -9.369 14.521 -6.253 127 HG23 THR 18 2HG2 THR 18 -9.085 15.987 -7.193 128 H ILE 19 H ILE 19 -10.625 13.474 -10.625 129 HA ILE 19 HA ILE 19 -12.117 11.104 -9.743 130 HB ILE 19 HB ILE 19 -10.658 11.407 -12.360 131 HG12 ILE 19 1HG1 ILE 19 -13.570 12.010 -11.801 132 HG13 ILE 19 2HG1 ILE 19 -12.330 13.223 -12.100 133 HG21 ILE 19 1HG2 ILE 19 -13.083 9.751 -12.073 134 HG22 ILE 19 2HG2 ILE 19 -11.596 9.444 -12.968 135 HG23 ILE 19 3HG2 ILE 19 -11.645 9.185 -11.225 136 HD11 ILE 19 3HD1 ILE 19 -12.595 11.131 -14.151 137 HD12 ILE 19 1HD1 ILE 19 -13.955 12.242 -13.993 138 HD13 ILE 19 2HD1 ILE 19 -12.338 12.867 -14.318 139 H CYS 20 H CYS 20 -10.932 10.005 -8.294 140 HA CYS 20 HA CYS 20 -8.063 9.815 -8.507 141 HB2 CYS 20 1HB CYS 20 -9.869 8.288 -6.629 142 HB3 CYS 20 2HB CYS 20 -8.151 8.613 -6.434 143 HG CYS 20 HG CYS 20 -9.385 10.194 -4.572 144 H VAL 21 H VAL 21 -7.108 8.452 -9.853 145 HA VAL 21 HA VAL 21 -8.283 5.778 -10.219 146 HB VAL 21 HB VAL 21 -6.955 7.382 -12.407 147 HG11 VAL 21 1HG1 VAL 21 -8.576 5.174 -13.272 148 HG12 VAL 21 2HG1 VAL 21 -6.867 5.494 -13.575 149 HG13 VAL 21 3HG1 VAL 21 -7.358 4.623 -12.122 150 HG21 VAL 21 3HG2 VAL 21 -9.737 7.248 -11.495 151 HG22 VAL 21 1HG2 VAL 21 -8.926 8.451 -12.498 152 HG23 VAL 21 2HG2 VAL 21 -9.523 6.958 -13.222 153 H VAL 22 H VAL 22 -6.905 4.123 -9.978 154 HA VAL 22 HA VAL 22 -4.369 4.453 -8.875 155 HB VAL 22 HB VAL 22 -4.015 2.051 -9.339 156 HG11 VAL 22 1HG1 VAL 22 -6.732 1.802 -8.447 157 HG12 VAL 22 2HG1 VAL 22 -5.235 1.654 -7.525 158 HG13 VAL 22 3HG1 VAL 22 -5.989 3.235 -7.736 159 HG21 VAL 22 3HG2 VAL 22 -6.413 2.469 -11.074 160 HG22 VAL 22 1HG2 VAL 22 -4.920 1.595 -11.416 161 HG23 VAL 22 2HG2 VAL 22 -6.124 0.895 -10.334 162 H MET 23 H MET 23 -2.273 3.911 -9.723 163 HA MET 23 HA MET 23 -1.662 5.202 -12.134 164 HB2 MET 23 1HB MET 23 0.596 4.301 -11.844 165 HB3 MET 23 2HB MET 23 -0.034 4.927 -10.326 166 HG2 MET 23 1HG MET 23 -0.167 2.866 -9.365 167 HG3 MET 23 2HG MET 23 -0.403 2.042 -10.904 168 HE1 MET 23 3HE MET 23 2.802 0.449 -11.485 169 HE2 MET 23 1HE MET 23 1.553 0.034 -10.310 170 HE3 MET 23 2HE MET 23 1.100 0.683 -11.886 171 H ASP 24 H ASP 24 -2.685 1.982 -11.481 172 HA ASP 24 HA ASP 24 -1.641 0.789 -13.865 173 HB2 ASP 24 1HB ASP 24 -4.003 -0.280 -12.344 174 HB3 ASP 24 2HB ASP 24 -2.748 -1.168 -13.204 175 H ARG 25 H ARG 25 -4.480 2.595 -13.044 176 HA ARG 25 HA ARG 25 -5.639 2.001 -15.684 177 HB2 ARG 25 1HB ARG 25 -6.823 2.578 -13.028 178 HB3 ARG 25 2HB ARG 25 -7.648 3.267 -14.419 179 HG2 ARG 25 1HG ARG 25 -8.632 1.146 -13.869 180 HG3 ARG 25 2HG ARG 25 -7.788 1.016 -15.414 181 HD2 ARG 25 1HD ARG 25 -6.242 0.348 -12.980 182 HD3 ARG 25 2HD ARG 25 -7.519 -0.775 -13.443 183 HE ARG 25 HE ARG 25 -5.869 -0.105 -15.661 184 HH11 ARG 25 1HH1 ARG 25 -6.001 -2.060 -12.783 185 HH12 ARG 25 2HH1 ARG 25 -4.912 -3.263 -13.394 186 HH21 ARG 25 1HH2 ARG 25 -4.436 -1.681 -16.475 187 HH22 ARG 25 2HH2 ARG 25 -4.022 -3.045 -15.493 188 H PHE 26 H PHE 26 -3.518 4.012 -14.766 189 HA PHE 26 HA PHE 26 -4.579 6.607 -14.967 190 HB2 PHE 26 1HB PHE 26 -2.146 5.640 -14.351 191 HB3 PHE 26 2HB PHE 26 -1.844 6.131 -16.015 192 HD1 PHE 26 HD1 PHE 26 -3.648 8.522 -16.119 193 HD2 PHE 26 HD2 PHE 26 -0.873 7.208 -13.171 194 HE1 PHE 26 HE1 PHE 26 -3.341 10.848 -15.376 195 HE2 PHE 26 HE2 PHE 26 -0.562 9.531 -12.423 196 HZ PHE 26 HZ PHE 26 -1.797 11.355 -13.525 197 H LEU 27 H LEU 27 -2.885 4.666 -17.434 198 HA LEU 27 HA LEU 27 -3.272 6.427 -19.566 199 HB2 LEU 27 1HB LEU 27 -1.940 4.114 -19.245 200 HB3 LEU 27 2HB LEU 27 -3.324 3.536 -20.170 201 HG LEU 27 HG LEU 27 -1.271 5.574 -21.011 202 HD11 LEU 27 1HD1 LEU 27 -0.870 3.981 -22.824 203 HD12 LEU 27 2HD1 LEU 27 -2.069 2.891 -22.130 204 HD13 LEU 27 3HD1 LEU 27 -0.588 3.252 -21.243 205 HD21 LEU 27 3HD2 LEU 27 -2.767 5.238 -23.208 206 HD22 LEU 27 1HD2 LEU 27 -3.030 6.543 -22.050 207 HD23 LEU 27 2HD2 LEU 27 -4.021 5.086 -21.975 208 H GLU 28 H GLU 28 -5.204 3.608 -18.578 209 HA GLU 28 HA GLU 28 -7.111 3.655 -20.579 210 HB2 GLU 28 1HB GLU 28 -6.790 1.989 -18.633 211 HB3 GLU 28 2HB GLU 28 -7.834 3.069 -17.720 212 HG2 GLU 28 1HG GLU 28 -9.311 1.499 -18.531 213 HG3 GLU 28 2HG GLU 28 -9.460 2.808 -19.702 214 H SER 29 H SER 29 -7.225 5.324 -17.436 215 HA SER 29 HA SER 29 -9.687 6.587 -17.777 216 HB2 SER 29 1HB SER 29 -9.071 8.001 -15.959 217 HB3 SER 29 2HB SER 29 -8.293 6.449 -15.655 218 HG SER 29 HG SER 29 -6.520 7.560 -15.556 219 H PHE 30 H PHE 30 -6.422 7.749 -18.558 220 HA PHE 30 HA PHE 30 -7.174 10.277 -19.514 221 HB2 PHE 30 1HB PHE 30 -4.803 9.109 -19.048 222 HB3 PHE 30 2HB PHE 30 -4.863 8.921 -20.798 223 HD1 PHE 30 HD2 PHE 30 -5.413 11.064 -22.155 224 HD2 PHE 30 HD1 PHE 30 -4.013 11.073 -18.136 225 HE1 PHE 30 HE2 PHE 30 -4.648 13.386 -22.431 226 HE2 PHE 30 HE1 PHE 30 -3.246 13.396 -18.405 227 HZ PHE 30 HZ PHE 30 -3.562 14.555 -20.555 228 H SER 31 H SER 31 -6.817 7.169 -21.166 229 HA SER 31 HA SER 31 -7.181 8.056 -23.790 230 HB2 SER 31 1HB SER 31 -6.503 5.716 -22.914 231 HB3 SER 31 2HB SER 31 -8.237 5.407 -22.825 232 HG SER 31 HG SER 31 -7.029 4.873 -24.862 233 H GLU 32 H GLU 32 -9.588 6.801 -21.484 234 HA GLU 32 HA GLU 32 -11.816 7.189 -23.175 235 HB2 GLU 32 1HB GLU 32 -11.565 5.802 -20.974 236 HB3 GLU 32 2HB GLU 32 -12.036 7.301 -20.187 237 HG2 GLU 32 1HG GLU 32 -13.989 5.982 -20.476 238 HG3 GLU 32 2HG GLU 32 -14.078 7.330 -21.608 239 H LEU 33 H LEU 33 -10.150 9.272 -20.907 240 HA LEU 33 HA LEU 33 -12.111 11.287 -20.698 241 HB2 LEU 33 1HB LEU 33 -9.901 10.865 -19.367 242 HB3 LEU 33 2HB LEU 33 -9.194 11.912 -20.595 243 HG LEU 33 HG LEU 33 -9.743 13.145 -18.560 244 HD11 LEU 33 1HD1 LEU 33 -10.375 14.979 -19.697 245 HD12 LEU 33 2HD1 LEU 33 -11.792 14.193 -20.391 246 HD13 LEU 33 3HD1 LEU 33 -10.200 13.928 -21.102 247 HD21 LEU 33 3HD2 LEU 33 -11.878 13.303 -17.652 248 HD22 LEU 33 1HD2 LEU 33 -11.741 11.594 -18.068 249 HD23 LEU 33 2HD2 LEU 33 -12.652 12.685 -19.113 250 H TYR 34 H TYR 34 -9.382 10.853 -22.912 251 HA TYR 34 HA TYR 34 -9.605 13.303 -24.260 252 HB2 TYR 34 1HB TYR 34 -7.617 12.006 -24.546 253 HB3 TYR 34 2HB TYR 34 -8.529 10.624 -25.142 254 HD1 TYR 34 HD2 TYR 34 -8.257 14.255 -26.019 255 HD2 TYR 34 HD1 TYR 34 -8.253 10.226 -27.389 256 HE1 TYR 34 HE2 TYR 34 -7.935 15.045 -28.326 257 HE2 TYR 34 HE1 TYR 34 -7.930 11.006 -29.699 258 HH TYR 34 HH TYR 34 -7.014 13.022 -30.850 259 H ASP 35 H ASP 35 -11.532 10.462 -24.382 260 HA ASP 35 HA ASP 35 -12.691 11.078 -26.969 261 HB2 ASP 35 1HB ASP 35 -12.748 8.822 -25.092 262 HB3 ASP 35 2HB ASP 35 -14.297 9.144 -25.866 263 H ILE 36 H ILE 36 -13.955 10.733 -23.649 264 HA ILE 36 HA ILE 36 -16.486 11.808 -24.168 265 HB ILE 36 HB ILE 36 -16.047 10.564 -22.133 266 HG12 ILE 36 1HG1 ILE 36 -16.770 13.429 -21.484 267 HG13 ILE 36 2HG1 ILE 36 -17.878 12.239 -22.159 268 HG21 ILE 36 1HG2 ILE 36 -14.462 12.901 -21.105 269 HG22 ILE 36 2HG2 ILE 36 -14.640 11.300 -20.389 270 HG23 ILE 36 3HG2 ILE 36 -13.709 11.504 -21.873 271 HD11 ILE 36 3HD1 ILE 36 -18.264 12.430 -19.808 272 HD12 ILE 36 1HD1 ILE 36 -17.540 10.856 -20.136 273 HD13 ILE 36 2HD1 ILE 36 -16.557 12.156 -19.460 274 H ILE 37 H ILE 37 -13.456 13.354 -23.250 275 HA ILE 37 HA ILE 37 -14.430 15.909 -22.667 276 HB ILE 37 HB ILE 37 -12.084 15.076 -22.271 277 HG12 ILE 37 1HG1 ILE 37 -11.109 17.410 -23.135 278 HG13 ILE 37 2HG1 ILE 37 -12.821 17.744 -23.369 279 HG21 ILE 37 1HG2 ILE 37 -10.476 15.079 -23.973 280 HG22 ILE 37 2HG2 ILE 37 -11.875 14.281 -24.690 281 HG23 ILE 37 3HG2 ILE 37 -11.523 15.964 -25.082 282 HD11 ILE 37 3HD1 ILE 37 -11.871 16.661 -20.760 283 HD12 ILE 37 1HD1 ILE 37 -11.661 18.371 -21.136 284 HD13 ILE 37 2HD1 ILE 37 -13.277 17.663 -21.118 285 H ASP 38 H ASP 38 -13.884 14.307 -25.707 286 HA ASP 38 HA ASP 38 -13.877 16.627 -27.349 287 HB2 ASP 38 1HB ASP 38 -13.162 14.142 -27.858 288 HB3 ASP 38 2HB ASP 38 -14.841 13.984 -28.367 289 H GLU 39 H GLU 39 -16.369 14.734 -25.867 290 HA GLU 39 HA GLU 39 -18.445 15.958 -27.520 291 HB2 GLU 39 1HB GLU 39 -18.779 13.961 -25.279 292 HB3 GLU 39 2HB GLU 39 -19.976 14.413 -26.484 293 HG2 GLU 39 1HG GLU 39 -17.365 13.104 -27.183 294 HG3 GLU 39 2HG GLU 39 -18.835 12.199 -26.826 295 H ASN 40 H ASN 40 -20.542 16.287 -25.924 296 HA ASN 40 HA ASN 40 -19.651 18.084 -23.770 297 HB2 ASN 40 1HB ASN 40 -20.504 19.139 -26.028 298 HB3 ASN 40 2HB ASN 40 -22.091 18.746 -25.373 299 HD21 ASN 40 1HD2 ASN 40 -22.926 19.955 -23.756 300 HD22 ASN 40 2HD2 ASN 40 -22.150 21.348 -23.091 301 H ASP 41 H ASP 41 -20.618 15.320 -23.702 302 HA ASP 41 HA ASP 41 -23.317 15.388 -22.717 303 HB2 ASP 41 1HB ASP 41 -21.189 13.250 -22.769 304 HB3 ASP 41 2HB ASP 41 -22.766 12.997 -22.026 305 H THR 42 H THR 42 -23.587 16.580 -20.911 306 HA THR 42 HA THR 42 -21.680 16.455 -18.735 307 HB THR 42 HB THR 42 -24.325 17.809 -18.438 308 HG1 THR 42 HG1 THR 42 -23.166 19.655 -19.531 309 HG21 THR 42 3HG2 THR 42 -22.940 18.042 -16.560 310 HG22 THR 42 1HG2 THR 42 -22.725 19.553 -17.443 311 HG23 THR 42 2HG2 THR 42 -21.497 18.291 -17.543 312 H ASP 43 H ASP 43 -24.742 15.061 -19.586 313 HA ASP 43 HA ASP 43 -25.477 14.242 -16.948 314 HB2 ASP 43 1HB ASP 43 -26.410 13.284 -19.661 315 HB3 ASP 43 2HB ASP 43 -27.138 12.807 -18.129 316 H VAL 44 H VAL 44 -23.417 12.981 -19.417 317 HA VAL 44 HA VAL 44 -23.357 10.306 -18.293 318 HB VAL 44 HB VAL 44 -21.618 11.470 -20.471 319 HG11 VAL 44 1HG1 VAL 44 -21.572 8.945 -21.069 320 HG12 VAL 44 2HG1 VAL 44 -20.537 9.546 -19.772 321 HG13 VAL 44 3HG1 VAL 44 -22.046 8.716 -19.386 322 HG21 VAL 44 3HG2 VAL 44 -24.186 9.902 -20.703 323 HG22 VAL 44 1HG2 VAL 44 -23.979 11.613 -21.077 324 HG23 VAL 44 2HG2 VAL 44 -23.152 10.393 -22.045 325 H MET 45 H MET 45 -21.696 13.276 -17.916 326 HA MET 45 HA MET 45 -19.128 12.515 -17.232 327 HB2 MET 45 1HB MET 45 -20.912 14.759 -16.389 328 HB3 MET 45 2HB MET 45 -19.389 14.526 -15.540 329 HG2 MET 45 1HG MET 45 -19.626 14.832 -18.522 330 HG3 MET 45 2HG MET 45 -19.298 16.159 -17.411 331 HE1 MET 45 3HE MET 45 -16.075 16.047 -16.197 332 HE2 MET 45 1HE MET 45 -17.709 15.852 -15.562 333 HE3 MET 45 2HE MET 45 -16.546 14.533 -15.424 334 H MET 46 H MET 46 -21.941 12.818 -15.063 335 HA MET 46 HA MET 46 -20.730 12.035 -12.701 336 HB2 MET 46 1HB MET 46 -23.002 11.315 -11.981 337 HB3 MET 46 2HB MET 46 -22.969 12.920 -12.699 338 HG2 MET 46 1HG MET 46 -23.595 11.675 -14.885 339 HG3 MET 46 2HG MET 46 -24.088 10.381 -13.795 340 HE1 MET 46 3HE MET 46 -25.984 10.007 -13.120 341 HE2 MET 46 1HE MET 46 -27.178 11.091 -12.406 342 HE3 MET 46 2HE MET 46 -27.228 10.741 -14.134 343 H ASP 47 H ASP 47 -22.202 10.020 -15.217 344 HA ASP 47 HA ASP 47 -21.819 7.555 -13.872 345 HB2 ASP 47 1HB ASP 47 -23.388 8.030 -15.827 346 HB3 ASP 47 2HB ASP 47 -21.970 7.906 -16.865 347 H PHE 48 H PHE 48 -19.864 9.403 -16.146 348 HA PHE 48 HA PHE 48 -17.909 7.418 -16.614 349 HB2 PHE 48 1HB PHE 48 -18.021 9.233 -18.149 350 HB3 PHE 48 2HB PHE 48 -17.863 10.424 -16.862 351 HD1 PHE 48 HD2 PHE 48 -16.056 7.817 -18.754 352 HD2 PHE 48 HD1 PHE 48 -15.751 11.149 -16.122 353 HE1 PHE 48 HE2 PHE 48 -13.622 7.869 -19.107 354 HE2 PHE 48 HE1 PHE 48 -13.316 11.206 -16.473 355 HZ PHE 48 HZ PHE 48 -12.248 9.564 -17.966 356 H ILE 49 H ILE 49 -18.135 10.045 -14.255 357 HA ILE 49 HA ILE 49 -15.568 9.600 -13.112 358 HB ILE 49 HB ILE 49 -17.982 10.982 -11.936 359 HG12 ILE 49 1HG1 ILE 49 -15.613 12.486 -12.896 360 HG13 ILE 49 2HG1 ILE 49 -16.631 11.760 -14.135 361 HG21 ILE 49 1HG2 ILE 49 -15.142 10.736 -11.017 362 HG22 ILE 49 2HG2 ILE 49 -16.124 12.131 -10.573 363 HG23 ILE 49 3HG2 ILE 49 -16.632 10.510 -10.101 364 HD11 ILE 49 3HD1 ILE 49 -17.023 14.208 -13.112 365 HD12 ILE 49 1HD1 ILE 49 -18.310 13.206 -13.782 366 HD13 ILE 49 2HD1 ILE 49 -18.048 13.256 -12.039 367 H SER 50 H SER 50 -18.831 8.505 -12.323 368 HA SER 50 HA SER 50 -18.057 7.183 -9.908 369 HB2 SER 50 1HB SER 50 -20.400 8.032 -10.559 370 HB3 SER 50 2HB SER 50 -20.535 6.548 -11.502 371 HG SER 50 HG SER 50 -20.908 5.513 -9.722 372 H ARG 51 H ARG 51 -18.124 6.343 -13.265 373 HA ARG 51 HA ARG 51 -18.034 3.499 -12.850 374 HB2 ARG 51 1HB ARG 51 -18.991 4.404 -14.901 375 HB3 ARG 51 2HB ARG 51 -17.460 5.170 -15.303 376 HG2 ARG 51 1HG ARG 51 -17.812 3.140 -16.598 377 HG3 ARG 51 2HG ARG 51 -16.410 2.989 -15.536 378 HD2 ARG 51 1HD ARG 51 -17.432 1.458 -14.176 379 HD3 ARG 51 2HD ARG 51 -19.050 2.066 -14.526 380 HE ARG 51 HE ARG 51 -17.794 0.832 -16.789 381 HH11 ARG 51 1HH1 ARG 51 -19.636 0.255 -13.892 382 HH12 ARG 51 2HH1 ARG 51 -20.310 -1.236 -14.461 383 HH21 ARG 51 1HH2 ARG 51 -18.674 -1.130 -17.550 384 HH22 ARG 51 2HH2 ARG 51 -19.761 -2.023 -16.542 385 H PHE 52 H PHE 52 -15.685 5.990 -13.809 386 HA PHE 52 HA PHE 52 -13.493 4.124 -13.775 387 HB2 PHE 52 1HB PHE 52 -13.788 7.058 -14.284 388 HB3 PHE 52 2HB PHE 52 -12.190 6.408 -13.932 389 HD1 PHE 52 HD2 PHE 52 -15.061 6.166 -16.246 390 HD2 PHE 52 HD1 PHE 52 -10.960 5.253 -15.565 391 HE1 PHE 52 HE2 PHE 52 -14.826 5.484 -18.599 392 HE2 PHE 52 HE1 PHE 52 -10.718 4.570 -17.917 393 HZ PHE 52 HZ PHE 52 -12.652 4.685 -19.437 394 H ALA 53 H ALA 53 -14.362 6.985 -11.833 395 HA ALA 53 HA ALA 53 -12.383 6.335 -9.832 396 HB1 ALA 53 3HB ALA 53 -12.510 8.515 -9.450 397 HB2 ALA 53 1HB ALA 53 -13.850 8.646 -10.589 398 HB3 ALA 53 2HB ALA 53 -14.169 8.322 -8.885 399 H ARG 54 H ARG 54 -12.694 5.274 -7.968 400 HA ARG 54 HA ARG 54 -15.320 4.115 -7.482 401 HB2 ARG 54 1HB ARG 54 -12.567 3.573 -6.393 402 HB3 ARG 54 2HB ARG 54 -14.002 2.871 -5.656 403 HG2 ARG 54 1HG ARG 54 -13.420 2.546 -8.578 404 HG3 ARG 54 2HG ARG 54 -12.726 1.470 -7.364 405 HD2 ARG 54 1HD ARG 54 -15.678 2.006 -7.558 406 HD3 ARG 54 2HD ARG 54 -14.888 0.715 -8.463 407 HE ARG 54 HE ARG 54 -14.125 0.360 -5.845 408 HH11 ARG 54 1HH1 ARG 54 -17.126 0.467 -7.605 409 HH12 ARG 54 2HH1 ARG 54 -17.945 -0.618 -6.531 410 HH21 ARG 54 1HH2 ARG 54 -15.192 -1.069 -4.423 411 HH22 ARG 54 2HH2 ARG 54 -16.844 -1.490 -4.721 412 H THR 55 H THR 55 -16.614 4.586 -5.790 413 HA THR 55 HA THR 55 -15.953 6.935 -4.219 414 HB THR 55 HB THR 55 -18.282 6.761 -3.382 415 HG1 THR 55 HG1 THR 55 -18.832 4.655 -3.477 416 HG21 THR 55 3HG2 THR 55 -18.176 6.536 -6.388 417 HG22 THR 55 1HG2 THR 55 -17.678 7.974 -5.497 418 HG23 THR 55 2HG2 THR 55 -19.351 7.422 -5.416 419 H ASP 56 H ASP 56 -14.187 5.590 -3.163 420 HA ASP 56 HA ASP 56 -15.296 4.317 -0.751 421 HB2 ASP 56 1HB ASP 56 -12.767 3.460 -2.172 422 HB3 ASP 56 2HB ASP 56 -13.475 2.712 -0.743 423 H GLU 57 H GLU 57 -13.798 4.351 1.110 424 HA GLU 57 HA GLU 57 -12.075 6.742 1.047 425 HB2 GLU 57 1HB GLU 57 -13.547 5.745 3.482 426 HB3 GLU 57 2HB GLU 57 -12.740 7.292 3.264 427 HG2 GLU 57 1HG GLU 57 -14.466 7.666 1.382 428 HG3 GLU 57 2HG GLU 57 -15.356 6.360 2.163 429 H ILE 58 H ILE 58 -11.125 4.168 0.441 430 HA ILE 58 HA ILE 58 -9.626 3.412 2.856 431 HB ILE 58 HB ILE 58 -9.972 1.850 0.294 432 HG12 ILE 58 1HG1 ILE 58 -12.070 2.061 1.577 433 HG13 ILE 58 2HG1 ILE 58 -11.465 0.408 1.581 434 HG21 ILE 58 1HG2 ILE 58 -7.980 1.079 1.167 435 HG22 ILE 58 2HG2 ILE 58 -8.485 1.348 2.834 436 HG23 ILE 58 3HG2 ILE 58 -9.147 -0.007 1.920 437 HD11 ILE 58 3HD1 ILE 58 -11.473 0.383 3.787 438 HD12 ILE 58 1HD1 ILE 58 -10.413 1.792 3.840 439 HD13 ILE 58 2HD1 ILE 58 -12.163 2.006 3.779 440 H MET 59 H MET 59 -7.716 4.389 2.984 441 HA MET 59 HA MET 59 -5.798 4.102 0.872 442 HB2 MET 59 1HB MET 59 -5.446 6.768 1.133 443 HB3 MET 59 2HB MET 59 -6.381 6.030 -0.161 444 HG2 MET 59 1HG MET 59 -7.603 7.872 0.781 445 HG3 MET 59 2HG MET 59 -8.427 6.359 1.152 446 HE1 MET 59 3HE MET 59 -7.293 9.483 2.036 447 HE2 MET 59 1HE MET 59 -8.546 9.507 3.278 448 HE3 MET 59 2HE MET 59 -6.845 9.562 3.741 449 HA PRO 60 HA PRO 60 -4.244 4.313 5.274 450 HB2 PRO 60 1HB PRO 60 -3.030 1.886 5.235 451 HB3 PRO 60 2HB PRO 60 -4.726 2.104 5.681 452 HG2 PRO 60 1HG PRO 60 -3.552 1.231 3.070 453 HG3 PRO 60 2HG PRO 60 -4.958 0.586 3.936 454 HD2 PRO 60 1HD PRO 60 -5.191 2.286 1.841 455 HD3 PRO 60 2HD PRO 60 -6.347 2.266 3.187 456 H GLU 61 H GLU 61 -2.688 3.062 2.336 457 HA GLU 61 HA GLU 61 -0.313 4.658 3.009 458 HB2 GLU 61 1HB GLU 61 -0.420 1.773 2.165 459 HB3 GLU 61 2HB GLU 61 1.009 2.755 1.873 460 HG2 GLU 61 1HG GLU 61 -0.208 2.448 4.599 461 HG3 GLU 61 2HG GLU 61 1.005 1.337 3.965 462 H ASP 62 H ASP 62 -2.633 5.047 1.198 463 HA ASP 62 HA ASP 62 -1.822 4.650 -1.484 464 HB2 ASP 62 1HB ASP 62 -3.887 6.364 -0.144 465 HB3 ASP 62 2HB ASP 62 -3.548 6.577 -1.859 466 H LYS 63 H LYS 63 -0.184 5.586 -2.492 467 HA LYS 63 HA LYS 63 0.700 8.246 -1.601 468 HB2 LYS 63 1HB LYS 63 2.108 5.875 -2.721 469 HB3 LYS 63 2HB LYS 63 2.740 7.463 -3.134 470 HG2 LYS 63 1HG LYS 63 3.254 7.971 -0.921 471 HG3 LYS 63 2HG LYS 63 2.192 6.711 -0.288 472 HD2 LYS 63 1HD LYS 63 4.355 5.853 -0.006 473 HD3 LYS 63 2HD LYS 63 3.751 5.058 -1.462 474 HE2 LYS 63 1HE LYS 63 5.113 6.299 -2.859 475 HE3 LYS 63 2HE LYS 63 5.292 7.608 -1.692 476 HZ1 LYS 63 3HZ LYS 63 7.159 5.762 -2.156 477 HZ2 LYS 63 1HZ LYS 63 6.350 5.043 -0.855 478 HZ3 LYS 63 2HZ LYS 63 7.008 6.593 -0.690 479 H THR 64 H THR 64 1.370 9.787 -3.212 480 HA THR 64 HA THR 64 -0.435 9.856 -5.450 481 HB THR 64 HB THR 64 1.791 11.831 -5.059 482 HG1 THR 64 HG1 THR 64 1.007 12.262 -3.147 483 HG21 THR 64 3HG2 THR 64 0.638 12.542 -6.886 484 HG22 THR 64 1HG2 THR 64 -0.392 13.265 -5.651 485 HG23 THR 64 2HG2 THR 64 -0.851 11.735 -6.396 486 H VAL 65 H VAL 65 -0.035 8.944 -7.347 487 HA VAL 65 HA VAL 65 2.733 8.371 -8.114 488 HB VAL 65 HB VAL 65 1.054 6.530 -8.167 489 HG11 VAL 65 1HG1 VAL 65 -0.124 7.418 -10.693 490 HG12 VAL 65 2HG1 VAL 65 -0.876 6.636 -9.301 491 HG13 VAL 65 3HG1 VAL 65 -0.607 8.380 -9.296 492 HG21 VAL 65 3HG2 VAL 65 2.069 7.148 -10.931 493 HG22 VAL 65 1HG2 VAL 65 3.127 6.645 -9.613 494 HG23 VAL 65 2HG2 VAL 65 1.849 5.569 -10.177 495 H GLY 66 H GLY 66 0.033 10.371 -8.946 496 HA2 GLY 66 1HA GLY 66 1.486 12.132 -10.529 497 HA3 GLY 66 2HA GLY 66 0.761 10.965 -11.624 498 H PHE 67 H PHE 67 0.179 13.710 -11.670 499 HA PHE 67 HA PHE 67 -2.688 13.603 -11.094 500 HB2 PHE 67 1HB PHE 67 -2.678 15.870 -10.170 501 HB3 PHE 67 2HB PHE 67 -1.663 14.802 -9.206 502 HD1 PHE 67 HD2 PHE 67 -1.666 17.561 -11.633 503 HD2 PHE 67 HD1 PHE 67 0.686 15.151 -9.030 504 HE1 PHE 67 HE2 PHE 67 0.214 19.127 -11.887 505 HE2 PHE 67 HE1 PHE 67 2.570 16.714 -9.279 506 HZ PHE 67 HZ PHE 67 2.336 18.705 -10.710 507 H VAL 68 H VAL 68 -3.972 14.732 -12.524 508 HA VAL 68 HA VAL 68 -2.601 16.158 -14.703 509 HB VAL 68 HB VAL 68 -4.828 14.144 -15.039 510 HG11 VAL 68 1HG1 VAL 68 -5.145 15.988 -16.564 511 HG12 VAL 68 2HG1 VAL 68 -3.455 15.906 -17.065 512 HG13 VAL 68 3HG1 VAL 68 -4.558 14.585 -17.455 513 HG21 VAL 68 3HG2 VAL 68 -2.027 14.058 -16.142 514 HG22 VAL 68 1HG2 VAL 68 -2.518 13.245 -14.656 515 HG23 VAL 68 2HG2 VAL 68 -3.247 12.786 -16.195 516 H VAL 69 H VAL 69 -3.390 18.128 -15.015 517 HA VAL 69 HA VAL 69 -5.991 18.810 -13.848 518 HB VAL 69 HB VAL 69 -3.894 20.707 -14.903 519 HG11 VAL 69 1HG1 VAL 69 -6.575 21.032 -13.932 520 HG12 VAL 69 2HG1 VAL 69 -5.439 21.868 -12.871 521 HG13 VAL 69 3HG1 VAL 69 -5.473 22.238 -14.596 522 HG21 VAL 69 3HG2 VAL 69 -3.230 21.039 -12.568 523 HG22 VAL 69 1HG2 VAL 69 -4.347 19.767 -12.072 524 HG23 VAL 69 2HG2 VAL 69 -2.958 19.375 -13.086 525 H VAL 70 H VAL 70 -7.705 18.993 -15.119 526 HA VAL 70 HA VAL 70 -7.299 19.743 -17.941 527 HB VAL 70 HB VAL 70 -9.318 17.767 -16.868 528 HG11 VAL 70 1HG1 VAL 70 -9.275 19.350 -19.277 529 HG12 VAL 70 2HG1 VAL 70 -9.223 17.626 -19.652 530 HG13 VAL 70 3HG1 VAL 70 -10.530 18.275 -18.661 531 HG21 VAL 70 3HG2 VAL 70 -7.234 16.673 -16.946 532 HG22 VAL 70 1HG2 VAL 70 -8.052 16.220 -18.442 533 HG23 VAL 70 2HG2 VAL 70 -6.790 17.452 -18.465 534 H ASN 71 H ASN 71 -8.069 21.736 -18.186 535 HA ASN 71 HA ASN 71 -10.648 22.398 -16.923 536 HB2 ASN 71 1HB ASN 71 -8.826 23.657 -15.875 537 HB3 ASN 71 2HB ASN 71 -8.316 24.254 -17.452 538 HD21 ASN 71 1HD2 ASN 71 -8.655 26.245 -15.995 539 HD22 ASN 71 2HD2 ASN 71 -10.199 27.008 -16.136 540 H ALA 72 H ALA 72 -12.093 22.228 -18.527 541 HA ALA 72 HA ALA 72 -11.530 22.731 -21.259 542 HB1 ALA 72 3HB ALA 72 -14.278 22.933 -20.992 543 HB2 ALA 72 1HB ALA 72 -13.361 21.469 -21.346 544 HB3 ALA 72 2HB ALA 72 -13.796 21.856 -19.681 545 H ASP 73 H ASP 73 -12.988 24.659 -18.689 546 HA ASP 73 HA ASP 73 -14.004 26.774 -20.149 547 HB2 ASP 73 1HB ASP 73 -14.246 26.449 -17.684 548 HB3 ASP 73 2HB ASP 73 -12.585 27.002 -17.489 549 H LYS 74 H LYS 74 -10.728 26.491 -18.777 550 HA LYS 74 HA LYS 74 -9.866 28.724 -20.467 551 HB2 LYS 74 1HB LYS 74 -8.479 27.323 -18.174 552 HB3 LYS 74 2HB LYS 74 -7.799 28.664 -19.086 553 HG2 LYS 74 1HG LYS 74 -10.440 28.933 -17.707 554 HG3 LYS 74 2HG LYS 74 -8.925 29.144 -16.827 555 HD2 LYS 74 1HD LYS 74 -8.329 31.025 -18.055 556 HD3 LYS 74 2HD LYS 74 -9.407 30.615 -19.391 557 HE2 LYS 74 1HE LYS 74 -10.616 32.292 -18.421 558 HE3 LYS 74 2HE LYS 74 -11.254 30.913 -17.527 559 HZ1 LYS 74 3HZ LYS 74 -9.604 31.403 -15.777 560 HZ2 LYS 74 1HZ LYS 74 -10.721 32.654 -16.000 561 HZ3 LYS 74 2HZ LYS 74 -9.153 32.801 -16.616 562 H LYS 75 H LYS 75 -10.339 25.753 -21.175 563 HA LYS 75 HA LYS 75 -9.280 24.053 -22.313 564 HB2 LYS 75 1HB LYS 75 -8.225 24.886 -24.407 565 HB3 LYS 75 2HB LYS 75 -9.803 25.596 -24.090 566 HG2 LYS 75 1HG LYS 75 -8.759 27.628 -23.284 567 HG3 LYS 75 2HG LYS 75 -7.159 26.916 -23.507 568 HD2 LYS 75 1HD LYS 75 -7.475 26.812 -25.887 569 HD3 LYS 75 2HD LYS 75 -9.158 27.322 -25.730 570 HE2 LYS 75 1HE LYS 75 -7.956 29.238 -26.409 571 HE3 LYS 75 2HE LYS 75 -8.280 29.452 -24.689 572 HZ1 LYS 75 3HZ LYS 75 -5.919 29.893 -25.638 573 HZ2 LYS 75 1HZ LYS 75 -5.751 28.213 -25.527 574 HZ3 LYS 75 2HZ LYS 75 -6.093 29.122 -24.143 575 H LEU 76 H LEU 76 -7.900 24.155 -20.095 576 HA LEU 76 HA LEU 76 -5.066 24.342 -20.874 577 HB2 LEU 76 1HB LEU 76 -6.241 24.376 -18.099 578 HB3 LEU 76 2HB LEU 76 -4.545 24.598 -18.523 579 HG LEU 76 HG LEU 76 -6.818 26.490 -19.115 580 HD11 LEU 76 1HD1 LEU 76 -6.343 27.022 -16.973 581 HD12 LEU 76 2HD1 LEU 76 -5.021 27.910 -17.729 582 HD13 LEU 76 3HD1 LEU 76 -4.729 26.315 -17.036 583 HD21 LEU 76 3HD2 LEU 76 -5.179 27.949 -20.109 584 HD22 LEU 76 1HD2 LEU 76 -5.151 26.395 -20.942 585 HD23 LEU 76 2HD2 LEU 76 -3.890 26.791 -19.774 586 H MET 77 H MET 77 -3.759 22.593 -20.680 587 HA MET 77 HA MET 77 -4.852 20.177 -19.420 588 HB2 MET 77 1HB MET 77 -3.678 20.400 -22.189 589 HB3 MET 77 2HB MET 77 -3.814 18.868 -21.336 590 HG2 MET 77 1HG MET 77 -5.721 18.849 -22.596 591 HG3 MET 77 2HG MET 77 -6.314 19.544 -21.090 592 HE1 MET 77 3HE MET 77 -4.425 22.038 -24.091 593 HE2 MET 77 1HE MET 77 -4.511 20.280 -24.212 594 HE3 MET 77 2HE MET 77 -5.631 21.283 -25.135 595 H SER 78 H SER 78 -3.489 19.440 -17.942 596 HA SER 78 HA SER 78 -0.603 19.643 -18.430 597 HB2 SER 78 1HB SER 78 -1.688 20.177 -15.680 598 HB3 SER 78 2HB SER 78 -0.123 20.619 -16.361 599 HG SER 78 HG SER 78 -2.507 21.960 -16.437 600 H VAL 79 H VAL 79 0.351 17.740 -18.185 601 HA VAL 79 HA VAL 79 -0.963 15.720 -16.487 602 HB VAL 79 HB VAL 79 0.043 13.999 -17.907 603 HG11 VAL 79 1HG1 VAL 79 -1.378 15.932 -19.713 604 HG12 VAL 79 2HG1 VAL 79 -1.462 14.170 -19.698 605 HG13 VAL 79 3HG1 VAL 79 -2.208 15.101 -18.398 606 HG21 VAL 79 3HG2 VAL 79 1.057 14.701 -20.087 607 HG22 VAL 79 1HG2 VAL 79 1.103 16.350 -19.464 608 HG23 VAL 79 2HG2 VAL 79 2.031 15.080 -18.667 609 H SER 80 H SER 80 0.164 14.873 -14.850 610 HA SER 80 HA SER 80 3.082 15.252 -14.807 611 HB2 SER 80 1HB SER 80 1.135 15.770 -12.551 612 HB3 SER 80 2HB SER 80 2.882 15.664 -12.332 613 HG SER 80 HG SER 80 1.359 17.627 -13.629 614 H PHE 81 H PHE 81 3.616 13.161 -15.249 615 HA PHE 81 HA PHE 81 2.450 11.046 -13.587 616 HB2 PHE 81 1HB PHE 81 3.913 11.055 -16.209 617 HB3 PHE 81 2HB PHE 81 3.812 9.580 -15.252 618 HD1 PHE 81 HD1 PHE 81 1.456 12.304 -16.243 619 HD2 PHE 81 HD2 PHE 81 2.205 8.123 -15.970 620 HE1 PHE 81 HE1 PHE 81 -0.768 11.847 -17.192 621 HE2 PHE 81 HE2 PHE 81 -0.017 7.659 -16.918 622 HZ PHE 81 HZ PHE 81 -1.506 9.522 -17.532 623 H SER 82 H SER 82 3.615 9.897 -12.141 624 HA SER 82 HA SER 82 6.506 10.416 -11.974 625 HB2 SER 82 1HB SER 82 4.702 10.214 -9.557 626 HB3 SER 82 2HB SER 82 6.402 10.682 -9.595 627 HG SER 82 HG SER 82 4.147 12.129 -10.481 628 H ASP 83 H ASP 83 7.733 8.654 -11.731 629 HA ASP 83 HA ASP 83 8.360 6.481 -11.484 630 HB2 ASP 83 1HB ASP 83 5.894 5.972 -9.841 631 HB3 ASP 83 2HB ASP 83 7.495 5.254 -9.682 632 H ILE 84 H ILE 84 7.468 6.712 -13.844 633 HA ILE 84 HA ILE 84 5.550 4.512 -14.240 634 HB ILE 84 HB ILE 84 4.813 5.670 -16.332 635 HG12 ILE 84 1HG1 ILE 84 5.831 8.242 -15.218 636 HG13 ILE 84 2HG1 ILE 84 6.961 7.225 -16.106 637 HG21 ILE 84 1HG2 ILE 84 4.102 6.191 -13.629 638 HG22 ILE 84 2HG2 ILE 84 3.921 7.682 -14.552 639 HG23 ILE 84 3HG2 ILE 84 3.078 6.220 -15.064 640 HD11 ILE 84 3HD1 ILE 84 4.655 7.331 -17.676 641 HD12 ILE 84 1HD1 ILE 84 4.917 8.974 -17.092 642 HD13 ILE 84 2HD1 ILE 84 6.197 8.135 -17.968 643 H ASP 85 H ASP 85 5.674 3.781 -16.658 644 HA ASP 85 HA ASP 85 8.440 3.040 -17.118 645 HB2 ASP 85 1HB ASP 85 6.157 2.215 -18.884 646 HB3 ASP 85 2HB ASP 85 7.630 1.333 -18.490 647 H GLU 86 H GLU 86 9.392 3.149 -19.282 648 HA GLU 86 HA GLU 86 9.118 5.778 -20.380 649 HB2 GLU 86 1HB GLU 86 10.905 5.078 -21.925 650 HB3 GLU 86 2HB GLU 86 11.307 4.732 -20.249 651 HG2 GLU 86 1HG GLU 86 10.577 2.385 -20.626 652 HG3 GLU 86 2HG GLU 86 10.377 2.775 -22.333 653 H ASN 87 H ASN 87 8.298 2.512 -21.448 654 HA ASN 87 HA ASN 87 7.520 3.130 -24.066 655 HB2 ASN 87 1HB ASN 87 7.813 0.826 -22.828 656 HB3 ASN 87 2HB ASN 87 6.090 1.007 -22.514 657 HD21 ASN 87 1HD2 ASN 87 8.336 1.450 -25.229 658 HD22 ASN 87 2HD2 ASN 87 7.345 0.650 -26.397 659 H MET 88 H MET 88 5.525 2.815 -21.129 660 HA MET 88 HA MET 88 3.076 3.485 -22.272 661 HB2 MET 88 1HB MET 88 3.755 2.669 -19.848 662 HB3 MET 88 2HB MET 88 3.691 4.391 -19.495 663 HG2 MET 88 1HG MET 88 1.436 4.509 -19.763 664 HG3 MET 88 2HG MET 88 1.394 3.189 -20.930 665 HE1 MET 88 3HE MET 88 -0.133 0.523 -18.961 666 HE2 MET 88 1HE MET 88 -0.796 1.980 -19.702 667 HE3 MET 88 2HE MET 88 0.497 1.092 -20.507 668 H LYS 89 H LYS 89 5.750 5.492 -21.309 669 HA LYS 89 HA LYS 89 4.487 7.966 -21.068 670 HB2 LYS 89 1HB LYS 89 6.949 7.293 -20.629 671 HB3 LYS 89 2HB LYS 89 7.199 7.666 -22.329 672 HG2 LYS 89 1HG LYS 89 6.360 9.943 -21.932 673 HG3 LYS 89 2HG LYS 89 6.185 9.559 -20.218 674 HD2 LYS 89 1HD LYS 89 8.442 9.566 -19.846 675 HD3 LYS 89 2HD LYS 89 8.825 9.077 -21.498 676 HE2 LYS 89 1HE LYS 89 9.516 11.268 -21.516 677 HE3 LYS 89 2HE LYS 89 7.861 11.433 -22.099 678 HZ1 LYS 89 3HZ LYS 89 8.550 13.035 -20.321 679 HZ2 LYS 89 1HZ LYS 89 8.597 11.731 -19.244 680 HZ3 LYS 89 2HZ LYS 89 7.141 12.161 -19.989 681 H LYS 90 H LYS 90 5.629 6.245 -23.928 682 HA LYS 90 HA LYS 90 5.319 8.287 -25.811 683 HB2 LYS 90 1HB LYS 90 6.484 6.238 -26.362 684 HB3 LYS 90 2HB LYS 90 5.019 5.295 -26.118 685 HG2 LYS 90 1HG LYS 90 5.365 5.536 -28.461 686 HG3 LYS 90 2HG LYS 90 3.983 6.537 -28.011 687 HD2 LYS 90 1HD LYS 90 5.205 7.933 -29.410 688 HD3 LYS 90 2HD LYS 90 5.726 8.436 -27.800 689 HE2 LYS 90 1HE LYS 90 7.248 6.300 -29.219 690 HE3 LYS 90 2HE LYS 90 7.474 7.979 -29.707 691 HZ1 LYS 90 3HZ LYS 90 8.295 6.632 -27.271 692 HZ2 LYS 90 1HZ LYS 90 7.688 8.198 -27.066 693 HZ3 LYS 90 2HZ LYS 90 9.010 7.931 -28.085 694 H VAL 91 H VAL 91 3.034 5.678 -24.976 695 HA VAL 91 HA VAL 91 0.922 6.554 -26.584 696 HB VAL 91 HB VAL 91 0.682 5.090 -23.953 697 HG11 VAL 91 1HG1 VAL 91 -1.418 6.030 -24.898 698 HG12 VAL 91 2HG1 VAL 91 -1.149 5.061 -26.348 699 HG13 VAL 91 3HG1 VAL 91 -1.411 4.270 -24.794 700 HG21 VAL 91 3HG2 VAL 91 1.973 3.571 -25.006 701 HG22 VAL 91 1HG2 VAL 91 0.476 3.176 -25.850 702 HG23 VAL 91 2HG2 VAL 91 1.655 4.250 -26.602 703 H ILE 92 H ILE 92 1.406 7.061 -23.086 704 HA ILE 92 HA ILE 92 -0.794 8.687 -22.622 705 HB ILE 92 HB ILE 92 1.903 8.869 -21.273 706 HG12 ILE 92 1HG1 ILE 92 -0.522 7.339 -20.336 707 HG13 ILE 92 2HG1 ILE 92 0.732 6.599 -21.324 708 HG21 ILE 92 1HG2 ILE 92 0.693 9.837 -19.401 709 HG22 ILE 92 2HG2 ILE 92 0.463 10.809 -20.854 710 HG23 ILE 92 3HG2 ILE 92 -0.819 9.731 -20.302 711 HD11 ILE 92 3HD1 ILE 92 2.206 6.511 -19.622 712 HD12 ILE 92 1HD1 ILE 92 1.635 8.016 -18.901 713 HD13 ILE 92 2HD1 ILE 92 0.728 6.522 -18.660 714 H LYS 93 H LYS 93 2.418 9.528 -23.810 715 HA LYS 93 HA LYS 93 2.109 12.333 -23.691 716 HB2 LYS 93 1HB LYS 93 4.290 11.169 -23.930 717 HB3 LYS 93 2HB LYS 93 3.844 10.719 -25.570 718 HG2 LYS 93 1HG LYS 93 3.989 12.912 -26.342 719 HG3 LYS 93 2HG LYS 93 3.903 13.588 -24.713 720 HD2 LYS 93 1HD LYS 93 6.146 13.816 -25.146 721 HD3 LYS 93 2HD LYS 93 6.126 12.226 -24.379 722 HE2 LYS 93 1HE LYS 93 7.467 11.961 -26.286 723 HE3 LYS 93 2HE LYS 93 5.906 11.276 -26.732 724 HZ1 LYS 93 3HZ LYS 93 6.222 12.574 -28.532 725 HZ2 LYS 93 1HZ LYS 93 7.240 13.662 -27.729 726 HZ3 LYS 93 2HZ LYS 93 5.564 13.773 -27.536 727 H ALA 94 H ALA 94 1.501 9.969 -26.256 728 HA ALA 94 HA ALA 94 0.843 11.790 -28.290 729 HB1 ALA 94 3HB ALA 94 -0.086 8.953 -27.869 730 HB2 ALA 94 1HB ALA 94 -0.303 9.878 -29.355 731 HB3 ALA 94 2HB ALA 94 1.321 9.479 -28.792 732 H THR 95 H THR 95 -1.253 10.035 -26.009 733 HA THR 95 HA THR 95 -3.688 11.102 -26.901 734 HB THR 95 HB THR 95 -3.038 10.224 -24.082 735 HG1 THR 95 HG1 THR 95 -4.065 8.666 -26.236 736 HG21 THR 95 3HG2 THR 95 -5.466 9.618 -24.071 737 HG22 THR 95 1HG2 THR 95 -5.629 10.460 -25.611 738 HG23 THR 95 2HG2 THR 95 -5.154 11.351 -24.165 739 H ALA 96 H ALA 96 -1.576 12.130 -24.226 740 HA ALA 96 HA ALA 96 -3.155 14.330 -23.435 741 HB1 ALA 96 3HB ALA 96 -1.446 13.317 -21.997 742 HB2 ALA 96 1HB ALA 96 -0.188 13.925 -23.073 743 HB3 ALA 96 2HB ALA 96 -1.205 15.055 -22.177 744 H GLU 97 H GLU 97 -0.796 13.906 -25.954 745 HA GLU 97 HA GLU 97 -0.307 16.688 -26.399 746 HB2 GLU 97 1HB GLU 97 1.377 15.157 -27.112 747 HB3 GLU 97 2HB GLU 97 0.222 14.220 -28.048 748 HG2 GLU 97 1HG GLU 97 0.178 15.728 -29.771 749 HG3 GLU 97 2HG GLU 97 0.653 17.080 -28.744 750 H LYS 98 H LYS 98 -2.449 14.264 -27.814 751 HA LYS 98 HA LYS 98 -3.422 15.690 -29.984 752 HB2 LYS 98 1HB LYS 98 -4.342 13.429 -28.346 753 HB3 LYS 98 2HB LYS 98 -5.637 14.318 -29.139 754 HG2 LYS 98 1HG LYS 98 -4.992 12.527 -30.565 755 HG3 LYS 98 2HG LYS 98 -4.422 14.030 -31.295 756 HD2 LYS 98 1HD LYS 98 -2.193 13.577 -30.207 757 HD3 LYS 98 2HD LYS 98 -2.809 11.976 -29.791 758 HE2 LYS 98 1HE LYS 98 -2.679 13.082 -32.594 759 HE3 LYS 98 2HE LYS 98 -1.456 12.032 -31.880 760 HZ1 LYS 98 3HZ LYS 98 -2.669 10.333 -32.583 761 HZ2 LYS 98 1HZ LYS 98 -3.947 11.339 -33.050 762 HZ3 LYS 98 2HZ LYS 98 -3.862 10.761 -31.463 763 H PHE 99 H PHE 99 -4.167 15.997 -26.588 764 HA PHE 99 HA PHE 99 -6.565 17.399 -26.702 765 HB2 PHE 99 1HB PHE 99 -4.333 17.198 -24.750 766 HB3 PHE 99 2HB PHE 99 -5.448 18.545 -24.550 767 HD1 PHE 99 HD1 PHE 99 -5.120 14.890 -24.547 768 HD2 PHE 99 HD2 PHE 99 -7.697 18.199 -23.822 769 HE1 PHE 99 HE1 PHE 99 -6.708 13.398 -23.403 770 HE2 PHE 99 HE2 PHE 99 -9.288 16.713 -22.676 771 HZ PHE 99 HZ PHE 99 -8.794 14.309 -22.465 772 H LYS 100 H LYS 100 -3.355 18.405 -27.496 773 HA LYS 100 HA LYS 100 -3.683 21.199 -27.248 774 HB2 LYS 100 1HB LYS 100 -1.563 19.636 -27.728 775 HB3 LYS 100 2HB LYS 100 -1.910 20.128 -29.381 776 HG2 LYS 100 1HG LYS 100 -1.896 22.325 -27.445 777 HG3 LYS 100 2HG LYS 100 -0.346 21.503 -27.639 778 HD2 LYS 100 1HD LYS 100 -1.997 22.521 -29.946 779 HD3 LYS 100 2HD LYS 100 -0.715 23.456 -29.173 780 HE2 LYS 100 1HE LYS 100 0.723 21.329 -29.635 781 HE3 LYS 100 2HE LYS 100 -0.525 20.974 -30.828 782 HZ1 LYS 100 3HZ LYS 100 1.644 22.700 -31.087 783 HZ2 LYS 100 1HZ LYS 100 0.252 23.662 -31.083 784 HZ3 LYS 100 2HZ LYS 100 0.411 22.408 -32.207 785 H ASN 101 H ASN 101 -5.022 18.976 -29.419 786 HA ASN 101 HA ASN 101 -5.316 20.839 -31.617 787 HB2 ASN 101 1HB ASN 101 -6.317 18.029 -31.149 788 HB3 ASN 101 2HB ASN 101 -6.737 18.966 -32.580 789 HD21 ASN 101 1HD2 ASN 101 -5.551 16.699 -33.093 790 HD22 ASN 101 2HD2 ASN 101 -3.893 16.908 -33.532 791 H LYS 102 H LYS 102 -6.896 20.230 -28.715 792 HA LYS 102 HA LYS 102 -9.357 21.510 -29.712 793 HB2 LYS 102 1HB LYS 102 -9.096 19.596 -27.385 794 HB3 LYS 102 2HB LYS 102 -10.584 20.358 -27.932 795 HG2 LYS 102 1HG LYS 102 -9.053 18.755 -29.902 796 HG3 LYS 102 2HG LYS 102 -9.921 17.895 -28.628 797 HD2 LYS 102 1HD LYS 102 -11.228 20.001 -30.333 798 HD3 LYS 102 2HD LYS 102 -11.177 18.301 -30.804 799 HE2 LYS 102 1HE LYS 102 -12.293 17.713 -28.684 800 HE3 LYS 102 2HE LYS 102 -12.394 19.427 -28.283 801 HZ1 LYS 102 3HZ LYS 102 -13.679 18.095 -30.606 802 HZ2 LYS 102 1HZ LYS 102 -13.737 19.755 -30.284 803 HZ3 LYS 102 2HZ LYS 102 -14.464 18.661 -29.219 804 H GLY 103 H GLY 103 -6.759 21.574 -27.455 805 HA2 GLY 103 1HA GLY 103 -7.994 23.913 -26.133 806 HA3 GLY 103 2HA GLY 103 -6.945 22.782 -25.291 807 H PHE 104 H PHE 104 -5.180 22.606 -27.702 808 HA PHE 104 HA PHE 104 -3.241 23.548 -28.427 809 HB2 PHE 104 1HB PHE 104 -4.359 26.294 -28.021 810 HB3 PHE 104 2HB PHE 104 -3.377 25.672 -29.344 811 HD1 PHE 104 HD2 PHE 104 -4.478 23.998 -30.937 812 HD2 PHE 104 HD1 PHE 104 -6.660 26.468 -28.243 813 HE1 PHE 104 HE2 PHE 104 -6.507 23.678 -32.291 814 HE2 PHE 104 HE1 PHE 104 -8.693 26.151 -29.593 815 HZ PHE 104 HZ PHE 104 -8.618 24.755 -31.621 816 H LYS 105 H LYS 105 -3.877 23.281 -25.480 817 HA LYS 105 HA LYS 105 -1.543 24.768 -24.549 818 HB2 LYS 105 1HB LYS 105 -3.848 25.947 -24.071 819 HB3 LYS 105 2HB LYS 105 -3.959 24.752 -22.786 820 HG2 LYS 105 1HG LYS 105 -1.519 26.457 -23.072 821 HG3 LYS 105 2HG LYS 105 -2.963 27.068 -22.261 822 HD2 LYS 105 1HD LYS 105 -2.876 25.307 -20.640 823 HD3 LYS 105 2HD LYS 105 -1.583 24.490 -21.522 824 HE2 LYS 105 1HE LYS 105 -0.815 25.759 -19.517 825 HE3 LYS 105 2HE LYS 105 -0.041 26.247 -21.024 826 HZ1 LYS 105 3HZ LYS 105 -1.324 27.883 -19.229 827 HZ2 LYS 105 1HZ LYS 105 -2.392 27.768 -20.536 828 HZ3 LYS 105 2HZ LYS 105 -0.806 28.300 -20.785 829 H VAL 106 H VAL 106 -0.663 22.595 -24.665 830 HA VAL 106 HA VAL 106 -1.502 20.910 -22.395 831 HB VAL 106 HB VAL 106 -1.818 19.865 -24.640 832 HG11 VAL 106 1HG1 VAL 106 -0.137 19.535 -26.136 833 HG12 VAL 106 2HG1 VAL 106 0.463 21.013 -25.382 834 HG13 VAL 106 3HG1 VAL 106 1.107 19.446 -24.889 835 HG21 VAL 106 3HG2 VAL 106 -0.369 17.786 -24.027 836 HG22 VAL 106 1HG2 VAL 106 -0.008 18.705 -22.566 837 HG23 VAL 106 2HG2 VAL 106 -1.677 18.290 -22.957 838 H GLU 107 H GLU 107 -0.007 20.319 -20.914 839 HA GLU 107 HA GLU 107 2.821 20.848 -21.461 840 HB2 GLU 107 1HB GLU 107 1.974 22.851 -20.337 841 HB3 GLU 107 2HB GLU 107 1.338 21.862 -19.030 842 HG2 GLU 107 1HG GLU 107 3.601 21.178 -18.435 843 HG3 GLU 107 2HG GLU 107 4.245 22.155 -19.754 844 H THR 108 H THR 108 3.924 19.069 -21.029 845 HA THR 108 HA THR 108 2.877 17.205 -19.008 846 HB THR 108 HB THR 108 3.994 15.426 -20.125 847 HG1 THR 108 HG1 THR 108 5.096 17.150 -22.066 848 HG21 THR 108 3HG2 THR 108 2.655 15.286 -21.949 849 HG22 THR 108 1HG2 THR 108 3.153 16.860 -22.569 850 HG23 THR 108 2HG2 THR 108 1.958 16.760 -21.276 851 H ASP 109 H ASP 109 4.097 16.590 -17.297 852 HA ASP 109 HA ASP 109 6.888 17.496 -17.179 853 HB2 ASP 109 1HB ASP 109 5.736 19.178 -15.946 854 HB3 ASP 109 2HB ASP 109 4.737 17.986 -15.121 855 H MET 110 H MET 110 8.239 15.946 -16.546 856 HA MET 110 HA MET 110 7.465 13.320 -16.095 857 HB2 MET 110 1HB MET 110 10.002 14.800 -15.426 858 HB3 MET 110 2HB MET 110 9.818 13.080 -15.110 859 HG2 MET 110 1HG MET 110 9.182 12.903 -17.591 860 HG3 MET 110 2HG MET 110 9.889 14.511 -17.735 861 HE1 MET 110 3HE MET 110 11.946 14.924 -16.177 862 HE2 MET 110 1HE MET 110 12.669 13.567 -15.312 863 HE3 MET 110 2HE MET 110 13.440 14.195 -16.769 Start of MODEL 11 1 H MET 1 H MET 1 1.249 0.051 0.576 2 HA MET 1 HA MET 1 2.759 0.605 -1.032 3 HB2 MET 1 1HB MET 1 3.787 -1.172 -2.341 4 HB3 MET 1 2HB MET 1 3.608 -1.677 -0.666 5 HG2 MET 1 1HG MET 1 1.701 -3.029 -1.223 6 HG3 MET 1 2HG MET 1 1.722 -2.436 -2.882 7 HE1 MET 1 3HE MET 1 2.600 -5.846 -3.773 8 HE2 MET 1 1HE MET 1 2.218 -6.019 -2.059 9 HE3 MET 1 2HE MET 1 1.303 -4.888 -3.057 10 H THR 2 H THR 2 -0.047 0.989 -1.497 11 HA THR 2 HA THR 2 -0.364 0.496 -4.363 12 HB THR 2 HB THR 2 -2.452 1.910 -2.767 13 HG1 THR 2 HG1 THR 2 -3.217 -0.263 -2.171 14 HG21 THR 2 3HG2 THR 2 -2.986 1.608 -5.046 15 HG22 THR 2 1HG2 THR 2 -3.886 0.357 -4.190 16 HG23 THR 2 2HG2 THR 2 -2.400 -0.055 -5.047 17 H LEU 3 H LEU 3 -0.739 2.154 -5.854 18 HA LEU 3 HA LEU 3 -0.095 4.872 -4.921 19 HB2 LEU 3 1HB LEU 3 1.094 3.257 -7.101 20 HB3 LEU 3 2HB LEU 3 0.837 4.971 -7.421 21 HG LEU 3 HG LEU 3 3.124 4.465 -6.657 22 HD11 LEU 3 1HD1 LEU 3 2.883 6.050 -4.524 23 HD12 LEU 3 2HD1 LEU 3 1.287 6.293 -5.232 24 HD13 LEU 3 3HD1 LEU 3 2.733 6.643 -6.178 25 HD21 LEU 3 3HD2 LEU 3 2.027 2.666 -4.991 26 HD22 LEU 3 1HD2 LEU 3 2.234 4.019 -3.879 27 HD23 LEU 3 2HD2 LEU 3 3.626 3.371 -4.746 28 H CYS 4 H CYS 4 -1.712 6.225 -5.287 29 HA CYS 4 HA CYS 4 -3.486 5.711 -7.583 30 HB2 CYS 4 1HB CYS 4 -5.259 6.858 -6.300 31 HB3 CYS 4 2HB CYS 4 -4.663 5.425 -5.472 32 HG CYS 4 HG CYS 4 -5.079 8.294 -4.190 33 H ALA 5 H ALA 5 -4.514 7.664 -8.506 34 HA ALA 5 HA ALA 5 -2.765 10.027 -8.302 35 HB1 ALA 5 3HB ALA 5 -3.790 8.639 -10.754 36 HB2 ALA 5 1HB ALA 5 -3.328 10.342 -10.788 37 HB3 ALA 5 2HB ALA 5 -2.139 9.113 -10.354 38 H MET 6 H MET 6 -3.752 12.058 -8.708 39 HA MET 6 HA MET 6 -6.663 12.029 -8.282 40 HB2 MET 6 1HB MET 6 -4.540 14.028 -7.522 41 HB3 MET 6 2HB MET 6 -6.254 14.416 -7.478 42 HG2 MET 6 1HG MET 6 -5.440 11.953 -6.078 43 HG3 MET 6 2HG MET 6 -4.886 13.473 -5.379 44 HE1 MET 6 3HE MET 6 -6.475 11.989 -3.408 45 HE2 MET 6 1HE MET 6 -8.231 11.923 -3.553 46 HE3 MET 6 2HE MET 6 -7.221 10.964 -4.634 47 H TYR 7 H TYR 7 -7.908 12.654 -9.910 48 HA TYR 7 HA TYR 7 -6.700 14.215 -12.088 49 HB2 TYR 7 1HB TYR 7 -7.967 11.864 -12.310 50 HB3 TYR 7 2HB TYR 7 -9.360 12.933 -12.433 51 HD1 TYR 7 HD2 TYR 7 -9.246 14.806 -14.197 52 HD2 TYR 7 HD1 TYR 7 -6.641 11.443 -14.183 53 HE1 TYR 7 HE2 TYR 7 -8.746 15.191 -16.574 54 HE2 TYR 7 HE1 TYR 7 -6.133 11.819 -16.560 55 HH TYR 7 HH TYR 7 -6.405 14.370 -18.117 56 H ASN 8 H ASN 8 -7.714 16.042 -12.904 57 HA ASN 8 HA ASN 8 -10.020 17.058 -11.389 58 HB2 ASN 8 1HB ASN 8 -7.977 18.120 -10.516 59 HB3 ASN 8 2HB ASN 8 -7.565 18.661 -12.141 60 HD21 ASN 8 1HD2 ASN 8 -7.606 20.818 -11.626 61 HD22 ASN 8 2HD2 ASN 8 -9.066 21.670 -11.267 62 H ILE 9 H ILE 9 -11.445 16.652 -13.058 63 HA ILE 9 HA ILE 9 -10.903 17.938 -15.641 64 HB ILE 9 HB ILE 9 -11.526 15.563 -15.728 65 HG12 ILE 9 1HG1 ILE 9 -13.647 17.418 -16.833 66 HG13 ILE 9 2HG1 ILE 9 -12.110 17.039 -17.602 67 HG21 ILE 9 1HG2 ILE 9 -13.712 14.796 -15.075 68 HG22 ILE 9 2HG2 ILE 9 -12.939 15.574 -13.695 69 HG23 ILE 9 3HG2 ILE 9 -14.185 16.428 -14.604 70 HD11 ILE 9 3HD1 ILE 9 -13.424 14.596 -17.046 71 HD12 ILE 9 1HD1 ILE 9 -14.584 15.680 -17.813 72 HD13 ILE 9 2HD1 ILE 9 -13.052 15.319 -18.611 73 H SER 10 H SER 10 -12.000 19.683 -16.289 74 HA SER 10 HA SER 10 -14.465 20.414 -14.865 75 HB2 SER 10 1HB SER 10 -12.591 22.588 -15.690 76 HB3 SER 10 2HB SER 10 -13.756 22.552 -14.367 77 HG SER 10 HG SER 10 -12.171 20.775 -13.605 78 H MET 11 H MET 11 -15.766 19.822 -16.577 79 HA MET 11 HA MET 11 -15.365 20.286 -19.270 80 HB2 MET 11 1HB MET 11 -17.249 18.992 -18.057 81 HB3 MET 11 2HB MET 11 -18.092 20.535 -18.031 82 HG2 MET 11 1HG MET 11 -18.326 20.597 -20.330 83 HG3 MET 11 2HG MET 11 -17.007 19.459 -20.595 84 HE1 MET 11 3HE MET 11 -20.865 18.728 -21.533 85 HE2 MET 11 1HE MET 11 -19.414 19.588 -22.050 86 HE3 MET 11 2HE MET 11 -19.555 17.852 -22.326 87 H ALA 12 H ALA 12 -16.629 21.827 -20.669 88 HA ALA 12 HA ALA 12 -15.845 24.452 -20.207 89 HB1 ALA 12 3HB ALA 12 -17.400 23.036 -22.193 90 HB2 ALA 12 1HB ALA 12 -18.029 24.659 -21.908 91 HB3 ALA 12 2HB ALA 12 -16.342 24.436 -22.376 92 H GLY 13 H GLY 13 -16.525 25.859 -18.737 93 HA2 GLY 13 1HA GLY 13 -17.900 27.061 -17.347 94 HA3 GLY 13 2HA GLY 13 -19.220 26.607 -18.415 95 H SER 14 H SER 14 -17.100 24.813 -16.178 96 HA SER 14 HA SER 14 -19.365 24.131 -14.508 97 HB2 SER 14 1HB SER 14 -19.264 22.460 -16.464 98 HB3 SER 14 2HB SER 14 -17.794 21.852 -15.702 99 HG SER 14 HG SER 14 -19.544 20.673 -14.949 100 H HIS 15 H HIS 15 -18.782 23.618 -12.443 101 HA HIS 15 HA HIS 15 -16.345 24.439 -11.439 102 HB2 HIS 15 1HB HIS 15 -18.576 22.773 -10.390 103 HB3 HIS 15 2HB HIS 15 -17.059 22.747 -9.497 104 HD1 HIS 15 HD1 HIS 15 -17.710 24.107 -7.492 105 HD2 HIS 15 HD2 HIS 15 -18.635 25.998 -11.074 106 HE1 HIS 15 HE1 HIS 15 -18.435 26.431 -6.858 107 HA PRO 16 HA PRO 16 -13.414 21.235 -12.051 108 HB2 PRO 16 1HB PRO 16 -12.069 21.206 -9.693 109 HB3 PRO 16 2HB PRO 16 -11.910 22.512 -10.874 110 HG2 PRO 16 1HG PRO 16 -13.567 22.402 -8.383 111 HG3 PRO 16 2HG PRO 16 -12.573 23.731 -9.008 112 HD2 PRO 16 1HD PRO 16 -15.263 23.657 -9.310 113 HD3 PRO 16 2HD PRO 16 -14.187 24.398 -10.512 114 H THR 17 H THR 17 -13.665 19.099 -12.101 115 HA THR 17 HA THR 17 -15.035 17.782 -9.858 116 HB THR 17 HB THR 17 -14.687 16.867 -12.719 117 HG1 THR 17 HG1 THR 17 -16.515 17.879 -12.997 118 HG21 THR 17 3HG2 THR 17 -14.950 14.811 -11.856 119 HG22 THR 17 1HG2 THR 17 -16.625 15.291 -11.586 120 HG23 THR 17 2HG2 THR 17 -15.445 15.437 -10.283 121 H THR 18 H THR 18 -13.763 16.745 -8.481 122 HA THR 18 HA THR 18 -11.092 15.924 -9.256 123 HB THR 18 HB THR 18 -12.191 15.230 -6.577 124 HG1 THR 18 HG1 THR 18 -11.358 17.883 -7.130 125 HG21 THR 18 3HG2 THR 18 -9.818 16.512 -6.224 126 HG22 THR 18 1HG2 THR 18 -9.602 15.826 -7.834 127 HG23 THR 18 2HG2 THR 18 -9.986 14.775 -6.471 128 H ILE 19 H ILE 19 -10.958 14.083 -10.381 129 HA ILE 19 HA ILE 19 -12.602 11.795 -9.530 130 HB ILE 19 HB ILE 19 -11.128 12.043 -12.147 131 HG12 ILE 19 1HG1 ILE 19 -14.015 12.721 -11.546 132 HG13 ILE 19 2HG1 ILE 19 -12.753 13.876 -11.959 133 HG21 ILE 19 1HG2 ILE 19 -12.105 9.831 -11.016 134 HG22 ILE 19 2HG2 ILE 19 -13.568 10.406 -11.813 135 HG23 ILE 19 3HG2 ILE 19 -12.113 10.095 -12.759 136 HD11 ILE 19 3HD1 ILE 19 -12.567 12.964 -14.166 137 HD12 ILE 19 1HD1 ILE 19 -13.688 11.662 -13.767 138 HD13 ILE 19 2HD1 ILE 19 -14.260 13.330 -13.836 139 H CYS 20 H CYS 20 -11.529 10.509 -8.182 140 HA CYS 20 HA CYS 20 -8.646 10.287 -8.292 141 HB2 CYS 20 1HB CYS 20 -10.534 8.732 -6.521 142 HB3 CYS 20 2HB CYS 20 -8.820 9.034 -6.261 143 HG CYS 20 HG CYS 20 -10.844 11.735 -6.432 144 H VAL 21 H VAL 21 -7.512 8.703 -9.222 145 HA VAL 21 HA VAL 21 -8.797 6.157 -9.846 146 HB VAL 21 HB VAL 21 -7.331 7.709 -11.980 147 HG11 VAL 21 1HG1 VAL 21 -8.965 5.175 -12.092 148 HG12 VAL 21 2HG1 VAL 21 -8.221 5.984 -13.473 149 HG13 VAL 21 3HG1 VAL 21 -7.209 5.286 -12.209 150 HG21 VAL 21 3HG2 VAL 21 -10.304 7.293 -11.674 151 HG22 VAL 21 1HG2 VAL 21 -9.448 8.814 -11.419 152 HG23 VAL 21 2HG2 VAL 21 -9.498 8.088 -13.026 153 H VAL 22 H VAL 22 -7.433 4.445 -9.757 154 HA VAL 22 HA VAL 22 -4.956 4.690 -8.478 155 HB VAL 22 HB VAL 22 -4.604 2.314 -9.041 156 HG11 VAL 22 1HG1 VAL 22 -7.480 2.446 -8.320 157 HG12 VAL 22 2HG1 VAL 22 -6.158 1.567 -7.550 158 HG13 VAL 22 3HG1 VAL 22 -6.334 3.303 -7.290 159 HG21 VAL 22 3HG2 VAL 22 -6.201 2.908 -11.253 160 HG22 VAL 22 1HG2 VAL 22 -5.558 1.331 -10.793 161 HG23 VAL 22 2HG2 VAL 22 -7.168 1.817 -10.261 162 H MET 23 H MET 23 -2.838 4.004 -9.297 163 HA MET 23 HA MET 23 -2.188 5.395 -11.713 164 HB2 MET 23 1HB MET 23 0.080 4.974 -11.172 165 HB3 MET 23 2HB MET 23 -0.737 5.245 -9.638 166 HG2 MET 23 1HG MET 23 0.385 3.401 -9.030 167 HG3 MET 23 2HG MET 23 -0.967 2.580 -9.807 168 HE1 MET 23 3HE MET 23 2.390 2.686 -9.189 169 HE2 MET 23 1HE MET 23 3.231 1.846 -10.492 170 HE3 MET 23 2HE MET 23 3.025 3.597 -10.560 171 H ASP 24 H ASP 24 -3.216 2.258 -11.029 172 HA ASP 24 HA ASP 24 -1.810 0.963 -13.198 173 HB2 ASP 24 1HB ASP 24 -4.001 0.037 -11.336 174 HB3 ASP 24 2HB ASP 24 -3.326 -0.973 -12.611 175 H ARG 25 H ARG 25 -4.799 2.624 -12.714 176 HA ARG 25 HA ARG 25 -5.631 1.885 -15.443 177 HB2 ARG 25 1HB ARG 25 -7.212 2.193 -12.929 178 HB3 ARG 25 2HB ARG 25 -7.969 2.627 -14.456 179 HG2 ARG 25 1HG ARG 25 -8.601 0.440 -14.270 180 HG3 ARG 25 2HG ARG 25 -7.112 0.269 -15.201 181 HD2 ARG 25 1HD ARG 25 -5.959 0.008 -12.920 182 HD3 ARG 25 2HD ARG 25 -7.583 -0.262 -12.287 183 HE ARG 25 HE ARG 25 -7.042 -1.928 -14.530 184 HH11 ARG 25 1HH1 ARG 25 -6.443 -1.564 -11.120 185 HH12 ARG 25 2HH1 ARG 25 -6.212 -3.259 -10.847 186 HH21 ARG 25 1HH2 ARG 25 -6.740 -4.162 -14.183 187 HH22 ARG 25 2HH2 ARG 25 -6.381 -4.736 -12.590 188 H PHE 26 H PHE 26 -4.096 4.209 -14.013 189 HA PHE 26 HA PHE 26 -5.619 6.551 -14.396 190 HB2 PHE 26 1HB PHE 26 -3.373 6.173 -13.115 191 HB3 PHE 26 2HB PHE 26 -2.633 6.531 -14.673 192 HD1 PHE 26 HD1 PHE 26 -5.564 7.976 -12.877 193 HD2 PHE 26 HD2 PHE 26 -1.743 8.645 -14.627 194 HE1 PHE 26 HE1 PHE 26 -5.781 10.385 -12.421 195 HE2 PHE 26 HE2 PHE 26 -1.952 11.054 -14.173 196 HZ PHE 26 HZ PHE 26 -3.972 11.927 -13.068 197 H LEU 27 H LEU 27 -3.034 5.145 -16.410 198 HA LEU 27 HA LEU 27 -3.192 6.930 -18.530 199 HB2 LEU 27 1HB LEU 27 -1.390 5.321 -18.282 200 HB3 LEU 27 2HB LEU 27 -2.511 3.993 -18.577 201 HG LEU 27 HG LEU 27 -2.691 4.509 -20.861 202 HD11 LEU 27 1HD1 LEU 27 -1.793 7.190 -20.000 203 HD12 LEU 27 2HD1 LEU 27 -2.998 6.724 -21.200 204 HD13 LEU 27 3HD1 LEU 27 -1.282 6.654 -21.601 205 HD21 LEU 27 3HD2 LEU 27 -0.465 3.574 -20.008 206 HD22 LEU 27 1HD2 LEU 27 0.184 5.182 -20.328 207 HD23 LEU 27 2HD2 LEU 27 -0.505 4.232 -21.644 208 H GLU 28 H GLU 28 -4.997 3.935 -17.970 209 HA GLU 28 HA GLU 28 -6.350 3.848 -20.424 210 HB2 GLU 28 1HB GLU 28 -6.230 2.008 -18.711 211 HB3 GLU 28 2HB GLU 28 -7.423 2.891 -17.769 212 HG2 GLU 28 1HG GLU 28 -8.438 1.102 -19.076 213 HG3 GLU 28 2HG GLU 28 -9.036 2.687 -19.561 214 H SER 29 H SER 29 -7.370 5.209 -17.297 215 HA SER 29 HA SER 29 -9.876 6.133 -18.050 216 HB2 SER 29 1HB SER 29 -9.235 6.147 -15.730 217 HB3 SER 29 2HB SER 29 -7.910 7.266 -16.050 218 HG SER 29 HG SER 29 -9.398 8.871 -16.485 219 H PHE 30 H PHE 30 -6.730 7.746 -18.293 220 HA PHE 30 HA PHE 30 -7.693 10.204 -19.275 221 HB2 PHE 30 1HB PHE 30 -5.415 9.857 -18.343 222 HB3 PHE 30 2HB PHE 30 -4.995 8.935 -19.782 223 HD1 PHE 30 HD2 PHE 30 -5.041 10.098 -22.017 224 HD2 PHE 30 HD1 PHE 30 -5.275 12.191 -18.318 225 HE1 PHE 30 HE2 PHE 30 -4.375 12.176 -23.154 226 HE2 PHE 30 HE1 PHE 30 -4.610 14.273 -19.449 227 HZ PHE 30 HZ PHE 30 -4.158 14.267 -21.870 228 H SER 31 H SER 31 -6.583 7.270 -20.914 229 HA SER 31 HA SER 31 -6.622 8.205 -23.537 230 HB2 SER 31 1HB SER 31 -5.875 5.896 -22.509 231 HB3 SER 31 2HB SER 31 -7.514 5.409 -22.940 232 HG SER 31 HG SER 31 -6.252 4.976 -24.696 233 H GLU 32 H GLU 32 -9.208 6.581 -21.707 234 HA GLU 32 HA GLU 32 -11.133 6.822 -23.788 235 HB2 GLU 32 1HB GLU 32 -11.447 5.092 -22.174 236 HB3 GLU 32 2HB GLU 32 -11.374 6.235 -20.839 237 HG2 GLU 32 1HG GLU 32 -13.524 6.880 -21.086 238 HG3 GLU 32 2HG GLU 32 -13.502 6.675 -22.836 239 H LEU 33 H LEU 33 -10.360 8.733 -20.924 240 HA LEU 33 HA LEU 33 -12.529 10.454 -20.879 241 HB2 LEU 33 1HB LEU 33 -10.885 10.435 -19.120 242 HB3 LEU 33 2HB LEU 33 -9.636 10.994 -20.231 243 HG LEU 33 HG LEU 33 -11.501 12.996 -20.392 244 HD11 LEU 33 1HD1 LEU 33 -11.605 11.756 -17.678 245 HD12 LEU 33 2HD1 LEU 33 -12.909 12.426 -18.658 246 HD13 LEU 33 3HD1 LEU 33 -11.765 13.503 -17.857 247 HD21 LEU 33 3HD2 LEU 33 -9.219 13.508 -20.265 248 HD22 LEU 33 1HD2 LEU 33 -9.021 12.650 -18.737 249 HD23 LEU 33 2HD2 LEU 33 -9.905 14.175 -18.783 250 H TYR 34 H TYR 34 -9.566 10.646 -22.801 251 HA TYR 34 HA TYR 34 -10.100 13.172 -23.954 252 HB2 TYR 34 1HB TYR 34 -7.858 12.338 -24.016 253 HB3 TYR 34 2HB TYR 34 -8.361 10.870 -24.847 254 HD1 TYR 34 HD2 TYR 34 -8.973 14.508 -25.470 255 HD2 TYR 34 HD1 TYR 34 -7.488 10.818 -26.979 256 HE1 TYR 34 HE2 TYR 34 -8.518 15.584 -27.634 257 HE2 TYR 34 HE1 TYR 34 -7.027 11.884 -29.148 258 HH TYR 34 HH TYR 34 -7.212 15.306 -29.588 259 H ASP 35 H ASP 35 -11.346 10.032 -24.553 260 HA ASP 35 HA ASP 35 -12.211 10.598 -27.254 261 HB2 ASP 35 1HB ASP 35 -12.055 8.267 -25.526 262 HB3 ASP 35 2HB ASP 35 -13.605 8.357 -26.358 263 H ILE 36 H ILE 36 -13.514 10.734 -24.026 264 HA ILE 36 HA ILE 36 -16.224 11.179 -25.000 265 HB ILE 36 HB ILE 36 -16.098 9.821 -23.040 266 HG12 ILE 36 1HG1 ILE 36 -16.967 12.604 -22.227 267 HG13 ILE 36 2HG1 ILE 36 -17.948 11.460 -23.138 268 HG21 ILE 36 1HG2 ILE 36 -14.434 12.045 -21.880 269 HG22 ILE 36 2HG2 ILE 36 -15.128 10.743 -20.915 270 HG23 ILE 36 3HG2 ILE 36 -13.953 10.374 -22.176 271 HD11 ILE 36 3HD1 ILE 36 -18.640 11.432 -20.853 272 HD12 ILE 36 1HD1 ILE 36 -17.826 9.909 -21.211 273 HD13 ILE 36 2HD1 ILE 36 -16.985 11.168 -20.306 274 H ILE 37 H ILE 37 -13.525 12.947 -23.656 275 HA ILE 37 HA ILE 37 -14.818 15.314 -22.921 276 HB ILE 37 HB ILE 37 -12.393 14.661 -22.487 277 HG12 ILE 37 1HG1 ILE 37 -11.829 17.296 -23.146 278 HG13 ILE 37 2HG1 ILE 37 -13.581 17.279 -22.985 279 HG21 ILE 37 1HG2 ILE 37 -12.043 14.349 -25.036 280 HG22 ILE 37 2HG2 ILE 37 -11.779 16.092 -25.039 281 HG23 ILE 37 3HG2 ILE 37 -10.745 15.046 -24.067 282 HD11 ILE 37 3HD1 ILE 37 -12.733 15.865 -20.785 283 HD12 ILE 37 1HD1 ILE 37 -11.521 17.135 -20.952 284 HD13 ILE 37 2HD1 ILE 37 -13.228 17.557 -20.812 285 H ASP 38 H ASP 38 -14.155 14.000 -26.024 286 HA ASP 38 HA ASP 38 -14.227 16.472 -27.474 287 HB2 ASP 38 1HB ASP 38 -13.061 14.637 -28.480 288 HB3 ASP 38 2HB ASP 38 -14.469 13.588 -28.338 289 H GLU 39 H GLU 39 -16.574 14.245 -26.258 290 HA GLU 39 HA GLU 39 -18.701 15.110 -27.995 291 HB2 GLU 39 1HB GLU 39 -18.793 13.498 -25.439 292 HB3 GLU 39 2HB GLU 39 -20.140 13.733 -26.544 293 HG2 GLU 39 1HG GLU 39 -19.206 12.386 -28.178 294 HG3 GLU 39 2HG GLU 39 -17.580 12.540 -27.515 295 H ASN 40 H ASN 40 -20.851 15.686 -26.688 296 HA ASN 40 HA ASN 40 -20.165 17.975 -24.963 297 HB2 ASN 40 1HB ASN 40 -21.111 18.574 -27.198 298 HB3 ASN 40 2HB ASN 40 -22.582 17.709 -26.762 299 HD21 ASN 40 1HD2 ASN 40 -20.453 19.959 -25.032 300 HD22 ASN 40 2HD2 ASN 40 -21.703 21.066 -24.589 301 H ASP 41 H ASP 41 -21.946 15.064 -25.268 302 HA ASP 41 HA ASP 41 -24.089 15.396 -23.567 303 HB2 ASP 41 1HB ASP 41 -23.579 12.906 -22.953 304 HB3 ASP 41 2HB ASP 41 -24.032 13.321 -24.604 305 H THR 42 H THR 42 -23.936 16.494 -21.702 306 HA THR 42 HA THR 42 -21.682 16.125 -19.921 307 HB THR 42 HB THR 42 -24.126 17.695 -19.178 308 HG1 THR 42 HG1 THR 42 -23.842 18.849 -20.929 309 HG21 THR 42 3HG2 THR 42 -22.791 18.604 -17.622 310 HG22 THR 42 1HG2 THR 42 -21.470 18.835 -18.767 311 HG23 THR 42 2HG2 THR 42 -21.687 17.275 -17.973 312 H ASP 43 H ASP 43 -24.874 14.897 -20.294 313 HA ASP 43 HA ASP 43 -25.392 14.163 -17.610 314 HB2 ASP 43 1HB ASP 43 -26.451 13.155 -20.248 315 HB3 ASP 43 2HB ASP 43 -26.997 12.506 -18.704 316 H VAL 44 H VAL 44 -23.182 12.983 -19.875 317 HA VAL 44 HA VAL 44 -23.105 10.280 -18.807 318 HB VAL 44 HB VAL 44 -21.271 11.582 -20.824 319 HG11 VAL 44 1HG1 VAL 44 -21.686 8.696 -20.053 320 HG12 VAL 44 2HG1 VAL 44 -20.721 9.245 -21.424 321 HG13 VAL 44 3HG1 VAL 44 -20.240 9.667 -19.780 322 HG21 VAL 44 3HG2 VAL 44 -22.588 10.536 -22.535 323 HG22 VAL 44 1HG2 VAL 44 -23.605 9.744 -21.332 324 HG23 VAL 44 2HG2 VAL 44 -23.662 11.497 -21.519 325 H MET 45 H MET 45 -21.521 13.317 -18.362 326 HA MET 45 HA MET 45 -19.035 12.584 -17.400 327 HB2 MET 45 1HB MET 45 -20.879 14.865 -16.806 328 HB3 MET 45 2HB MET 45 -19.415 14.673 -15.851 329 HG2 MET 45 1HG MET 45 -19.387 14.768 -18.850 330 HG3 MET 45 2HG MET 45 -19.281 16.213 -17.847 331 HE1 MET 45 3HE MET 45 -16.101 15.489 -15.745 332 HE2 MET 45 1HE MET 45 -16.752 16.909 -16.564 333 HE3 MET 45 2HE MET 45 -17.816 15.878 -15.607 334 H MET 46 H MET 46 -22.045 12.988 -15.534 335 HA MET 46 HA MET 46 -21.099 12.343 -13.024 336 HB2 MET 46 1HB MET 46 -23.436 11.536 -12.561 337 HB3 MET 46 2HB MET 46 -23.333 13.147 -13.258 338 HG2 MET 46 1HG MET 46 -23.785 12.110 -15.491 339 HG3 MET 46 2HG MET 46 -24.105 10.597 -14.646 340 HE1 MET 46 3HE MET 46 -25.749 10.236 -12.927 341 HE2 MET 46 1HE MET 46 -25.945 11.691 -11.949 342 HE3 MET 46 2HE MET 46 -27.320 11.032 -12.834 343 H ASP 47 H ASP 47 -22.331 10.134 -15.520 344 HA ASP 47 HA ASP 47 -21.962 7.772 -14.004 345 HB2 ASP 47 1HB ASP 47 -22.527 8.423 -16.849 346 HB3 ASP 47 2HB ASP 47 -21.875 6.822 -16.509 347 H PHE 48 H PHE 48 -19.904 9.557 -16.230 348 HA PHE 48 HA PHE 48 -17.872 7.606 -16.467 349 HB2 PHE 48 1HB PHE 48 -17.935 9.344 -18.096 350 HB3 PHE 48 2HB PHE 48 -17.878 10.597 -16.861 351 HD1 PHE 48 HD2 PHE 48 -15.794 11.162 -15.755 352 HD2 PHE 48 HD1 PHE 48 -15.945 8.182 -18.791 353 HE1 PHE 48 HE2 PHE 48 -13.344 11.253 -15.962 354 HE2 PHE 48 HE1 PHE 48 -13.495 8.268 -19.001 355 HZ PHE 48 HZ PHE 48 -12.192 9.806 -17.587 356 H ILE 49 H ILE 49 -18.369 10.299 -14.238 357 HA ILE 49 HA ILE 49 -15.861 9.984 -12.908 358 HB ILE 49 HB ILE 49 -18.369 11.396 -11.990 359 HG12 ILE 49 1HG1 ILE 49 -15.947 12.866 -12.875 360 HG13 ILE 49 2HG1 ILE 49 -16.886 12.069 -14.132 361 HG21 ILE 49 1HG2 ILE 49 -15.968 10.762 -10.592 362 HG22 ILE 49 2HG2 ILE 49 -16.039 12.505 -10.843 363 HG23 ILE 49 3HG2 ILE 49 -17.367 11.677 -10.032 364 HD11 ILE 49 3HD1 ILE 49 -18.707 13.423 -13.816 365 HD12 ILE 49 1HD1 ILE 49 -18.278 13.797 -12.148 366 HD13 ILE 49 2HD1 ILE 49 -17.382 14.535 -13.476 367 H SER 50 H SER 50 -19.141 8.828 -12.351 368 HA SER 50 HA SER 50 -18.544 7.679 -9.792 369 HB2 SER 50 1HB SER 50 -20.833 8.432 -10.495 370 HB3 SER 50 2HB SER 50 -20.887 7.065 -11.608 371 HG SER 50 HG SER 50 -20.800 5.671 -9.873 372 H ARG 51 H ARG 51 -18.313 6.662 -13.088 373 HA ARG 51 HA ARG 51 -18.184 3.844 -12.476 374 HB2 ARG 51 1HB ARG 51 -19.093 4.577 -14.620 375 HB3 ARG 51 2HB ARG 51 -17.568 5.356 -15.020 376 HG2 ARG 51 1HG ARG 51 -16.518 3.047 -14.805 377 HG3 ARG 51 2HG ARG 51 -18.170 2.426 -14.822 378 HD2 ARG 51 1HD ARG 51 -16.772 4.011 -16.967 379 HD3 ARG 51 2HD ARG 51 -17.340 2.344 -17.057 380 HE ARG 51 HE ARG 51 -18.902 4.732 -17.420 381 HH11 ARG 51 1HH1 ARG 51 -18.976 1.352 -16.590 382 HH12 ARG 51 2HH1 ARG 51 -20.635 1.143 -17.042 383 HH21 ARG 51 1HH2 ARG 51 -21.087 4.470 -18.020 384 HH22 ARG 51 2HH2 ARG 51 -21.835 2.917 -17.857 385 H PHE 52 H PHE 52 -15.898 6.373 -13.467 386 HA PHE 52 HA PHE 52 -13.638 4.596 -13.244 387 HB2 PHE 52 1HB PHE 52 -14.085 7.408 -14.076 388 HB3 PHE 52 2HB PHE 52 -12.493 7.026 -13.428 389 HD1 PHE 52 HD1 PHE 52 -11.287 4.990 -14.462 390 HD2 PHE 52 HD2 PHE 52 -14.552 7.006 -16.303 391 HE1 PHE 52 HE1 PHE 52 -10.615 4.077 -16.646 392 HE2 PHE 52 HE2 PHE 52 -13.886 6.096 -18.489 393 HZ PHE 52 HZ PHE 52 -11.916 4.629 -18.663 394 H ALA 53 H ALA 53 -14.793 7.468 -11.488 395 HA ALA 53 HA ALA 53 -12.870 6.978 -9.357 396 HB1 ALA 53 3HB ALA 53 -14.547 9.090 -8.612 397 HB2 ALA 53 1HB ALA 53 -12.912 9.195 -9.266 398 HB3 ALA 53 2HB ALA 53 -14.302 9.264 -10.350 399 H ARG 54 H ARG 54 -13.350 6.189 -7.379 400 HA ARG 54 HA ARG 54 -16.165 5.481 -6.864 401 HB2 ARG 54 1HB ARG 54 -14.483 3.595 -7.273 402 HB3 ARG 54 2HB ARG 54 -13.785 4.032 -5.720 403 HG2 ARG 54 1HG ARG 54 -15.575 3.248 -4.534 404 HG3 ARG 54 2HG ARG 54 -16.707 3.510 -5.862 405 HD2 ARG 54 1HD ARG 54 -16.531 1.358 -6.382 406 HD3 ARG 54 2HD ARG 54 -14.834 1.625 -6.776 407 HE ARG 54 HE ARG 54 -15.891 0.346 -4.427 408 HH11 ARG 54 1HH1 ARG 54 -13.176 2.043 -5.795 409 HH12 ARG 54 2HH1 ARG 54 -12.030 1.372 -4.682 410 HH21 ARG 54 1HH2 ARG 54 -14.392 -0.544 -2.957 411 HH22 ARG 54 2HH2 ARG 54 -12.722 -0.100 -3.069 412 H THR 55 H THR 55 -13.285 6.968 -5.651 413 HA THR 55 HA THR 55 -12.781 8.064 -3.713 414 HB THR 55 HB THR 55 -14.377 9.622 -2.936 415 HG1 THR 55 HG1 THR 55 -16.310 8.888 -2.517 416 HG21 THR 55 3HG2 THR 55 -15.038 10.696 -4.889 417 HG22 THR 55 1HG2 THR 55 -15.408 9.184 -5.716 418 HG23 THR 55 2HG2 THR 55 -13.729 9.656 -5.450 419 H ASP 56 H ASP 56 -13.439 5.225 -3.483 420 HA ASP 56 HA ASP 56 -14.355 5.193 -0.681 421 HB2 ASP 56 1HB ASP 56 -15.762 4.024 -2.578 422 HB3 ASP 56 2HB ASP 56 -14.551 2.757 -2.408 423 H GLU 57 H GLU 57 -12.049 4.034 -3.038 424 HA GLU 57 HA GLU 57 -10.720 2.068 -1.637 425 HB2 GLU 57 1HB GLU 57 -10.324 3.140 -4.023 426 HB3 GLU 57 2HB GLU 57 -9.101 4.061 -3.159 427 HG2 GLU 57 1HG GLU 57 -7.797 2.225 -2.759 428 HG3 GLU 57 2HG GLU 57 -9.157 1.106 -2.833 429 H ILE 58 H ILE 58 -10.088 2.164 0.416 430 HA ILE 58 HA ILE 58 -9.369 4.589 1.729 431 HB ILE 58 HB ILE 58 -10.385 2.699 2.936 432 HG12 ILE 58 1HG1 ILE 58 -7.740 2.900 4.250 433 HG13 ILE 58 2HG1 ILE 58 -8.518 4.428 3.855 434 HG21 ILE 58 1HG2 ILE 58 -8.313 1.233 1.664 435 HG22 ILE 58 2HG2 ILE 58 -8.105 1.080 3.408 436 HG23 ILE 58 3HG2 ILE 58 -9.637 0.629 2.661 437 HD11 ILE 58 3HD1 ILE 58 -9.026 2.663 6.026 438 HD12 ILE 58 1HD1 ILE 58 -9.728 4.245 5.691 439 HD13 ILE 58 2HD1 ILE 58 -10.479 2.790 5.036 440 H MET 59 H MET 59 -7.350 5.236 2.523 441 HA MET 59 HA MET 59 -5.050 4.014 1.144 442 HB2 MET 59 1HB MET 59 -5.521 6.276 0.347 443 HB3 MET 59 2HB MET 59 -5.451 6.888 1.994 444 HG2 MET 59 1HG MET 59 -3.203 6.895 2.043 445 HG3 MET 59 2HG MET 59 -3.068 5.431 1.072 446 HE1 MET 59 3HE MET 59 -3.581 9.160 1.244 447 HE2 MET 59 1HE MET 59 -3.392 9.751 -0.407 448 HE3 MET 59 2HE MET 59 -4.897 8.973 0.084 449 HA PRO 60 HA PRO 60 -4.468 3.485 5.735 450 HB2 PRO 60 1HB PRO 60 -3.737 0.875 5.587 451 HB3 PRO 60 2HB PRO 60 -5.422 1.395 5.711 452 HG2 PRO 60 1HG PRO 60 -3.868 0.570 3.289 453 HG3 PRO 60 2HG PRO 60 -5.526 0.146 3.752 454 HD2 PRO 60 1HD PRO 60 -4.968 2.064 1.923 455 HD3 PRO 60 2HD PRO 60 -6.382 2.147 2.993 456 H GLU 61 H GLU 61 -2.561 2.489 2.938 457 HA GLU 61 HA GLU 61 -0.177 3.590 4.147 458 HB2 GLU 61 1HB GLU 61 -0.587 0.661 3.776 459 HB3 GLU 61 2HB GLU 61 1.004 1.322 3.426 460 HG2 GLU 61 1HG GLU 61 0.884 2.385 5.739 461 HG3 GLU 61 2HG GLU 61 -0.478 1.304 6.029 462 H ASP 62 H ASP 62 -1.998 3.847 1.746 463 HA ASP 62 HA ASP 62 -0.162 3.283 -0.450 464 HB2 ASP 62 1HB ASP 62 -2.823 4.649 -0.743 465 HB3 ASP 62 2HB ASP 62 -1.959 3.651 -1.909 466 H LYS 63 H LYS 63 0.146 5.021 -2.109 467 HA LYS 63 HA LYS 63 0.318 7.690 -0.886 468 HB2 LYS 63 1HB LYS 63 2.513 6.144 -1.198 469 HB3 LYS 63 2HB LYS 63 2.474 6.935 -2.769 470 HG2 LYS 63 1HG LYS 63 2.838 9.027 -1.876 471 HG3 LYS 63 2HG LYS 63 2.224 8.570 -0.286 472 HD2 LYS 63 1HD LYS 63 4.465 8.603 0.162 473 HD3 LYS 63 2HD LYS 63 4.294 6.925 -0.356 474 HE2 LYS 63 1HE LYS 63 5.230 7.352 -2.449 475 HE3 LYS 63 2HE LYS 63 4.949 9.088 -2.325 476 HZ1 LYS 63 3HZ LYS 63 7.046 7.461 -1.040 477 HZ2 LYS 63 1HZ LYS 63 6.589 8.948 -0.375 478 HZ3 LYS 63 2HZ LYS 63 7.207 8.880 -1.948 479 H THR 64 H THR 64 1.062 9.293 -2.754 480 HA THR 64 HA THR 64 -0.855 8.869 -4.937 481 HB THR 64 HB THR 64 0.452 11.498 -4.269 482 HG1 THR 64 HG1 THR 64 -0.570 11.143 -2.393 483 HG21 THR 64 3HG2 THR 64 -2.224 11.756 -5.119 484 HG22 THR 64 1HG2 THR 64 -1.464 10.583 -6.193 485 HG23 THR 64 2HG2 THR 64 -0.762 12.189 -6.004 486 H VAL 65 H VAL 65 -0.153 8.501 -6.934 487 HA VAL 65 HA VAL 65 2.680 8.569 -7.503 488 HB VAL 65 HB VAL 65 1.252 6.708 -8.301 489 HG11 VAL 65 1HG1 VAL 65 -0.178 7.123 -10.298 490 HG12 VAL 65 2HG1 VAL 65 -0.781 7.872 -8.817 491 HG13 VAL 65 3HG1 VAL 65 0.036 8.853 -10.035 492 HG21 VAL 65 3HG2 VAL 65 2.246 6.528 -10.482 493 HG22 VAL 65 1HG2 VAL 65 2.473 8.275 -10.570 494 HG23 VAL 65 2HG2 VAL 65 3.395 7.322 -9.406 495 H GLY 66 H GLY 66 -0.061 10.586 -8.026 496 HA2 GLY 66 1HA GLY 66 1.161 12.876 -8.717 497 HA3 GLY 66 2HA GLY 66 1.120 12.021 -10.252 498 H PHE 67 H PHE 67 -0.151 14.041 -10.760 499 HA PHE 67 HA PHE 67 -2.975 13.382 -10.589 500 HB2 PHE 67 1HB PHE 67 -3.592 15.681 -9.877 501 HB3 PHE 67 2HB PHE 67 -2.706 14.797 -8.638 502 HD1 PHE 67 HD2 PHE 67 -0.404 15.394 -8.091 503 HD2 PHE 67 HD1 PHE 67 -2.660 17.613 -10.938 504 HE1 PHE 67 HE2 PHE 67 1.225 17.232 -7.944 505 HE2 PHE 67 HE1 PHE 67 -1.034 19.454 -10.796 506 HZ PHE 67 HZ PHE 67 0.911 19.266 -9.297 507 H VAL 68 H VAL 68 -4.292 14.706 -12.062 508 HA VAL 68 HA VAL 68 -2.723 15.930 -14.229 509 HB VAL 68 HB VAL 68 -5.000 13.975 -14.567 510 HG11 VAL 68 1HG1 VAL 68 -4.208 14.341 -17.060 511 HG12 VAL 68 2HG1 VAL 68 -5.423 15.383 -16.316 512 HG13 VAL 68 3HG1 VAL 68 -3.747 15.923 -16.431 513 HG21 VAL 68 3HG2 VAL 68 -2.308 13.661 -15.805 514 HG22 VAL 68 1HG2 VAL 68 -2.514 13.266 -14.098 515 HG23 VAL 68 2HG2 VAL 68 -3.476 12.432 -15.319 516 H VAL 69 H VAL 69 -3.487 17.823 -14.954 517 HA VAL 69 HA VAL 69 -6.058 18.752 -13.875 518 HB VAL 69 HB VAL 69 -3.843 20.428 -15.058 519 HG11 VAL 69 1HG1 VAL 69 -5.288 22.107 -14.938 520 HG12 VAL 69 2HG1 VAL 69 -6.535 21.000 -14.363 521 HG13 VAL 69 3HG1 VAL 69 -5.484 21.822 -13.209 522 HG21 VAL 69 3HG2 VAL 69 -2.834 19.579 -13.154 523 HG22 VAL 69 1HG2 VAL 69 -3.583 21.059 -12.553 524 HG23 VAL 69 2HG2 VAL 69 -4.352 19.500 -12.260 525 H VAL 70 H VAL 70 -7.735 19.022 -15.189 526 HA VAL 70 HA VAL 70 -7.269 19.566 -18.031 527 HB VAL 70 HB VAL 70 -9.118 17.407 -17.007 528 HG11 VAL 70 1HG1 VAL 70 -10.304 17.721 -18.858 529 HG12 VAL 70 2HG1 VAL 70 -9.192 18.977 -19.408 530 HG13 VAL 70 3HG1 VAL 70 -8.878 17.285 -19.800 531 HG21 VAL 70 3HG2 VAL 70 -6.866 16.613 -17.005 532 HG22 VAL 70 1HG2 VAL 70 -7.667 15.939 -18.425 533 HG23 VAL 70 2HG2 VAL 70 -6.562 17.302 -18.600 534 H ASN 71 H ASN 71 -8.421 21.264 -18.650 535 HA ASN 71 HA ASN 71 -11.067 21.714 -17.472 536 HB2 ASN 71 1HB ASN 71 -9.440 23.118 -16.234 537 HB3 ASN 71 2HB ASN 71 -8.966 23.874 -17.753 538 HD21 ASN 71 1HD2 ASN 71 -9.669 25.674 -16.140 539 HD22 ASN 71 2HD2 ASN 71 -11.296 26.222 -16.339 540 H ALA 72 H ALA 72 -12.499 21.874 -19.054 541 HA ALA 72 HA ALA 72 -11.661 22.383 -21.770 542 HB1 ALA 72 3HB ALA 72 -14.045 21.322 -20.439 543 HB2 ALA 72 1HB ALA 72 -14.380 22.288 -21.876 544 HB3 ALA 72 2HB ALA 72 -13.315 20.886 -21.984 545 H ASP 73 H ASP 73 -13.097 24.159 -19.167 546 HA ASP 73 HA ASP 73 -14.309 26.222 -20.681 547 HB2 ASP 73 1HB ASP 73 -14.637 25.636 -18.192 548 HB3 ASP 73 2HB ASP 73 -13.189 26.599 -17.913 549 H LYS 74 H LYS 74 -11.189 26.090 -18.966 550 HA LYS 74 HA LYS 74 -10.324 28.478 -20.425 551 HB2 LYS 74 1HB LYS 74 -9.393 27.098 -17.935 552 HB3 LYS 74 2HB LYS 74 -8.286 28.148 -18.810 553 HG2 LYS 74 1HG LYS 74 -9.626 30.042 -18.447 554 HG3 LYS 74 2HG LYS 74 -11.009 29.067 -17.945 555 HD2 LYS 74 1HD LYS 74 -9.730 28.338 -15.960 556 HD3 LYS 74 2HD LYS 74 -8.407 29.399 -16.451 557 HE2 LYS 74 1HE LYS 74 -9.747 31.341 -16.147 558 HE3 LYS 74 2HE LYS 74 -11.212 30.379 -15.958 559 HZ1 LYS 74 3HZ LYS 74 -10.574 31.027 -13.808 560 HZ2 LYS 74 1HZ LYS 74 -8.948 30.636 -14.067 561 HZ3 LYS 74 2HZ LYS 74 -10.103 29.407 -13.933 562 H LYS 75 H LYS 75 -10.367 25.320 -21.029 563 HA LYS 75 HA LYS 75 -9.130 23.856 -22.263 564 HB2 LYS 75 1HB LYS 75 -7.836 26.296 -23.470 565 HB3 LYS 75 2HB LYS 75 -8.126 24.737 -24.230 566 HG2 LYS 75 1HG LYS 75 -10.542 25.160 -24.143 567 HG3 LYS 75 2HG LYS 75 -10.225 26.742 -23.427 568 HD2 LYS 75 1HD LYS 75 -8.931 27.357 -25.438 569 HD3 LYS 75 2HD LYS 75 -9.337 25.795 -26.153 570 HE2 LYS 75 1HE LYS 75 -10.887 27.301 -27.066 571 HE3 LYS 75 2HE LYS 75 -11.772 26.451 -25.800 572 HZ1 LYS 75 3HZ LYS 75 -11.279 29.218 -26.059 573 HZ2 LYS 75 1HZ LYS 75 -10.608 28.665 -24.607 574 HZ3 LYS 75 2HZ LYS 75 -12.250 28.415 -24.930 575 H LEU 76 H LEU 76 -8.062 23.757 -19.931 576 HA LEU 76 HA LEU 76 -5.163 24.143 -20.299 577 HB2 LEU 76 1HB LEU 76 -6.675 24.024 -17.695 578 HB3 LEU 76 2HB LEU 76 -4.952 24.332 -17.898 579 HG LEU 76 HG LEU 76 -6.836 26.209 -19.214 580 HD11 LEU 76 1HD1 LEU 76 -6.342 26.182 -16.240 581 HD12 LEU 76 2HD1 LEU 76 -7.887 25.910 -17.045 582 HD13 LEU 76 3HD1 LEU 76 -7.108 27.490 -17.143 583 HD21 LEU 76 3HD2 LEU 76 -4.539 27.052 -17.552 584 HD22 LEU 76 1HD2 LEU 76 -5.084 27.641 -19.123 585 HD23 LEU 76 2HD2 LEU 76 -4.172 26.136 -19.015 586 H MET 77 H MET 77 -4.026 22.337 -20.487 587 HA MET 77 HA MET 77 -4.977 19.913 -19.125 588 HB2 MET 77 1HB MET 77 -4.047 20.150 -21.986 589 HB3 MET 77 2HB MET 77 -4.153 18.615 -21.135 590 HG2 MET 77 1HG MET 77 -6.159 18.644 -22.221 591 HG3 MET 77 2HG MET 77 -6.609 19.371 -20.680 592 HE1 MET 77 3HE MET 77 -8.680 19.945 -21.794 593 HE2 MET 77 1HE MET 77 -8.950 21.470 -22.638 594 HE3 MET 77 2HE MET 77 -8.519 20.023 -23.549 595 H SER 78 H SER 78 -3.483 19.455 -17.651 596 HA SER 78 HA SER 78 -0.682 19.329 -18.484 597 HB2 SER 78 1HB SER 78 -1.463 20.603 -15.860 598 HB3 SER 78 2HB SER 78 0.130 20.567 -16.617 599 HG SER 78 HG SER 78 -1.117 21.740 -18.402 600 H VAL 79 H VAL 79 -0.246 17.236 -18.228 601 HA VAL 79 HA VAL 79 -1.354 15.800 -15.927 602 HB VAL 79 HB VAL 79 -0.742 13.757 -17.053 603 HG11 VAL 79 1HG1 VAL 79 -2.611 13.892 -18.244 604 HG12 VAL 79 2HG1 VAL 79 -2.571 15.646 -18.056 605 HG13 VAL 79 3HG1 VAL 79 -1.808 14.890 -19.455 606 HG21 VAL 79 3HG2 VAL 79 1.285 14.076 -18.102 607 HG22 VAL 79 1HG2 VAL 79 0.181 14.078 -19.478 608 HG23 VAL 79 2HG2 VAL 79 0.788 15.603 -18.833 609 H SER 80 H SER 80 -0.122 14.984 -14.319 610 HA SER 80 HA SER 80 2.791 15.025 -14.587 611 HB2 SER 80 1HB SER 80 1.352 16.283 -12.239 612 HB3 SER 80 2HB SER 80 3.097 16.194 -12.478 613 HG SER 80 HG SER 80 3.000 17.799 -13.858 614 H PHE 81 H PHE 81 3.248 12.937 -14.297 615 HA PHE 81 HA PHE 81 2.207 11.629 -11.878 616 HB2 PHE 81 1HB PHE 81 2.330 9.468 -13.310 617 HB3 PHE 81 2HB PHE 81 0.949 10.541 -13.517 618 HD1 PHE 81 HD1 PHE 81 4.414 10.263 -14.886 619 HD2 PHE 81 HD2 PHE 81 0.271 10.827 -15.680 620 HE1 PHE 81 HE1 PHE 81 4.900 10.412 -17.293 621 HE2 PHE 81 HE2 PHE 81 0.749 10.976 -18.088 622 HZ PHE 81 HZ PHE 81 3.066 10.768 -18.898 623 H SER 82 H SER 82 3.544 9.797 -11.150 624 HA SER 82 HA SER 82 6.208 10.498 -10.819 625 HB2 SER 82 1HB SER 82 4.909 8.888 -9.394 626 HB3 SER 82 2HB SER 82 5.114 7.681 -10.663 627 HG SER 82 HG SER 82 7.139 8.944 -9.133 628 H ASP 83 H ASP 83 8.089 8.997 -11.414 629 HA ASP 83 HA ASP 83 8.573 9.150 -14.143 630 HB2 ASP 83 1HB ASP 83 10.208 8.792 -12.150 631 HB3 ASP 83 2HB ASP 83 9.927 7.078 -12.442 632 H ILE 84 H ILE 84 7.385 8.171 -15.651 633 HA ILE 84 HA ILE 84 6.345 5.489 -15.199 634 HB ILE 84 HB ILE 84 5.200 5.814 -17.382 635 HG12 ILE 84 1HG1 ILE 84 6.312 8.623 -17.222 636 HG13 ILE 84 2HG1 ILE 84 6.901 7.382 -18.323 637 HG21 ILE 84 1HG2 ILE 84 4.160 6.422 -15.219 638 HG22 ILE 84 2HG2 ILE 84 4.740 8.072 -15.439 639 HG23 ILE 84 3HG2 ILE 84 3.570 7.390 -16.569 640 HD11 ILE 84 3HD1 ILE 84 4.907 7.381 -19.553 641 HD12 ILE 84 1HD1 ILE 84 4.038 8.269 -18.302 642 HD13 ILE 84 2HD1 ILE 84 5.278 9.080 -19.260 643 H ASP 85 H ASP 85 6.317 4.223 -17.489 644 HA ASP 85 HA ASP 85 9.074 3.509 -17.914 645 HB2 ASP 85 1HB ASP 85 6.720 2.111 -17.995 646 HB3 ASP 85 2HB ASP 85 7.070 2.321 -19.708 647 H GLU 86 H GLU 86 9.600 2.944 -20.359 648 HA GLU 86 HA GLU 86 9.750 5.470 -21.697 649 HB2 GLU 86 1HB GLU 86 10.510 2.829 -22.918 650 HB3 GLU 86 2HB GLU 86 11.199 4.417 -23.226 651 HG2 GLU 86 1HG GLU 86 11.508 2.789 -20.715 652 HG3 GLU 86 2HG GLU 86 12.736 3.067 -21.949 653 H ASN 87 H ASN 87 8.447 2.312 -22.734 654 HA ASN 87 HA ASN 87 7.187 3.167 -25.045 655 HB2 ASN 87 1HB ASN 87 7.490 0.770 -23.949 656 HB3 ASN 87 2HB ASN 87 5.849 1.075 -23.386 657 HD21 ASN 87 1HD2 ASN 87 7.782 1.345 -26.349 658 HD22 ASN 87 2HD2 ASN 87 6.553 0.749 -27.407 659 H MET 88 H MET 88 5.862 2.965 -21.754 660 HA MET 88 HA MET 88 3.262 3.788 -22.320 661 HB2 MET 88 1HB MET 88 4.958 3.578 -19.944 662 HB3 MET 88 2HB MET 88 3.750 4.851 -19.826 663 HG2 MET 88 1HG MET 88 2.878 2.820 -18.892 664 HG3 MET 88 2HG MET 88 2.002 3.213 -20.370 665 HE1 MET 88 3HE MET 88 1.799 2.165 -22.205 666 HE2 MET 88 1HE MET 88 3.172 1.393 -22.998 667 HE3 MET 88 2HE MET 88 1.882 0.406 -22.312 668 H LYS 89 H LYS 89 6.177 5.677 -21.716 669 HA LYS 89 HA LYS 89 5.042 8.206 -21.460 670 HB2 LYS 89 1HB LYS 89 7.436 7.642 -21.053 671 HB3 LYS 89 2HB LYS 89 7.672 7.539 -22.793 672 HG2 LYS 89 1HG LYS 89 6.779 9.954 -22.837 673 HG3 LYS 89 2HG LYS 89 7.125 9.947 -21.106 674 HD2 LYS 89 1HD LYS 89 9.403 9.762 -21.428 675 HD3 LYS 89 2HD LYS 89 9.223 9.034 -23.026 676 HE2 LYS 89 1HE LYS 89 8.570 11.151 -23.969 677 HE3 LYS 89 2HE LYS 89 8.551 11.901 -22.374 678 HZ1 LYS 89 3HZ LYS 89 11.058 10.862 -22.580 679 HZ2 LYS 89 1HZ LYS 89 10.637 12.484 -22.814 680 HZ3 LYS 89 2HZ LYS 89 10.755 11.441 -24.141 681 H LYS 90 H LYS 90 5.912 6.383 -24.355 682 HA LYS 90 HA LYS 90 5.501 8.410 -26.246 683 HB2 LYS 90 1HB LYS 90 6.550 6.094 -26.571 684 HB3 LYS 90 2HB LYS 90 4.903 5.499 -26.741 685 HG2 LYS 90 1HG LYS 90 4.729 7.403 -28.532 686 HG3 LYS 90 2HG LYS 90 6.487 7.246 -28.555 687 HD2 LYS 90 1HD LYS 90 6.381 4.994 -29.238 688 HD3 LYS 90 2HD LYS 90 4.668 4.868 -28.829 689 HE2 LYS 90 1HE LYS 90 5.614 6.795 -30.920 690 HE3 LYS 90 2HE LYS 90 5.352 5.096 -31.312 691 HZ1 LYS 90 3HZ LYS 90 3.098 5.801 -29.968 692 HZ2 LYS 90 1HZ LYS 90 3.248 5.687 -31.650 693 HZ3 LYS 90 2HZ LYS 90 3.436 7.183 -30.884 694 H VAL 91 H VAL 91 3.275 5.818 -25.220 695 HA VAL 91 HA VAL 91 1.060 6.666 -26.697 696 HB VAL 91 HB VAL 91 1.013 5.254 -24.026 697 HG11 VAL 91 1HG1 VAL 91 -1.071 6.202 -25.685 698 HG12 VAL 91 2HG1 VAL 91 -1.048 4.443 -25.818 699 HG13 VAL 91 3HG1 VAL 91 -1.195 5.207 -24.235 700 HG21 VAL 91 3HG2 VAL 91 1.533 4.295 -26.806 701 HG22 VAL 91 1HG2 VAL 91 2.331 3.853 -25.297 702 HG23 VAL 91 2HG2 VAL 91 0.718 3.237 -25.655 703 H ILE 92 H ILE 92 1.749 7.231 -23.241 704 HA ILE 92 HA ILE 92 -0.403 8.879 -22.674 705 HB ILE 92 HB ILE 92 2.382 9.043 -21.515 706 HG12 ILE 92 1HG1 ILE 92 0.126 7.774 -20.062 707 HG13 ILE 92 2HG1 ILE 92 0.776 6.886 -21.436 708 HG21 ILE 92 1HG2 ILE 92 1.675 10.781 -20.334 709 HG22 ILE 92 2HG2 ILE 92 0.098 10.696 -21.116 710 HG23 ILE 92 3HG2 ILE 92 0.400 9.778 -19.641 711 HD11 ILE 92 3HD1 ILE 92 1.993 6.065 -19.659 712 HD12 ILE 92 1HD1 ILE 92 3.063 7.302 -20.318 713 HD13 ILE 92 2HD1 ILE 92 2.107 7.640 -18.875 714 H LYS 93 H LYS 93 2.780 9.737 -23.968 715 HA LYS 93 HA LYS 93 2.446 12.527 -23.934 716 HB2 LYS 93 1HB LYS 93 4.625 11.442 -24.247 717 HB3 LYS 93 2HB LYS 93 4.101 10.828 -25.810 718 HG2 LYS 93 1HG LYS 93 5.475 12.719 -26.209 719 HG3 LYS 93 2HG LYS 93 3.811 13.198 -26.551 720 HD2 LYS 93 1HD LYS 93 4.580 14.991 -25.312 721 HD3 LYS 93 2HD LYS 93 3.815 13.994 -24.072 722 HE2 LYS 93 1HE LYS 93 6.713 13.619 -24.686 723 HE3 LYS 93 2HE LYS 93 6.208 14.985 -23.693 724 HZ1 LYS 93 3HZ LYS 93 4.867 12.926 -22.585 725 HZ2 LYS 93 1HZ LYS 93 6.343 13.531 -22.022 726 HZ3 LYS 93 2HZ LYS 93 6.316 12.182 -23.042 727 H ALA 94 H ALA 94 1.676 10.100 -26.388 728 HA ALA 94 HA ALA 94 0.905 11.893 -28.421 729 HB1 ALA 94 3HB ALA 94 1.419 9.500 -28.782 730 HB2 ALA 94 1HB ALA 94 -0.097 9.084 -27.983 731 HB3 ALA 94 2HB ALA 94 -0.116 9.993 -29.494 732 H THR 95 H THR 95 -1.034 10.116 -26.021 733 HA THR 95 HA THR 95 -3.534 11.120 -26.791 734 HB THR 95 HB THR 95 -2.928 10.482 -23.922 735 HG1 THR 95 HG1 THR 95 -2.186 8.607 -24.548 736 HG21 THR 95 3HG2 THR 95 -5.147 9.562 -23.935 737 HG22 THR 95 1HG2 THR 95 -5.259 9.732 -25.687 738 HG23 THR 95 2HG2 THR 95 -5.214 11.167 -24.662 739 H ALA 96 H ALA 96 -1.298 12.241 -24.260 740 HA ALA 96 HA ALA 96 -2.877 14.409 -23.395 741 HB1 ALA 96 3HB ALA 96 -0.999 13.430 -22.111 742 HB2 ALA 96 1HB ALA 96 0.124 14.169 -23.253 743 HB3 ALA 96 2HB ALA 96 -0.910 15.186 -22.248 744 H GLU 97 H GLU 97 -0.459 14.095 -25.932 745 HA GLU 97 HA GLU 97 -0.323 16.899 -26.492 746 HB2 GLU 97 1HB GLU 97 1.580 15.579 -27.067 747 HB3 GLU 97 2HB GLU 97 0.600 14.455 -27.999 748 HG2 GLU 97 1HG GLU 97 0.545 15.791 -29.818 749 HG3 GLU 97 2HG GLU 97 0.550 17.275 -28.867 750 H LYS 98 H LYS 98 -2.359 14.279 -27.472 751 HA LYS 98 HA LYS 98 -3.339 15.373 -29.890 752 HB2 LYS 98 1HB LYS 98 -3.613 12.981 -28.660 753 HB3 LYS 98 2HB LYS 98 -5.170 13.701 -28.275 754 HG2 LYS 98 1HG LYS 98 -5.471 12.471 -30.263 755 HG3 LYS 98 2HG LYS 98 -5.437 14.173 -30.732 756 HD2 LYS 98 1HD LYS 98 -4.058 13.203 -32.317 757 HD3 LYS 98 2HD LYS 98 -2.898 13.749 -31.102 758 HE2 LYS 98 1HE LYS 98 -2.193 11.586 -31.534 759 HE3 LYS 98 2HE LYS 98 -3.203 11.378 -30.104 760 HZ1 LYS 98 3HZ LYS 98 -3.467 9.878 -32.247 761 HZ2 LYS 98 1HZ LYS 98 -4.507 11.133 -32.703 762 HZ3 LYS 98 2HZ LYS 98 -4.786 10.282 -31.268 763 H PHE 99 H PHE 99 -4.120 15.905 -26.540 764 HA PHE 99 HA PHE 99 -6.664 17.017 -26.768 765 HB2 PHE 99 1HB PHE 99 -4.471 17.120 -24.797 766 HB3 PHE 99 2HB PHE 99 -5.597 18.471 -24.733 767 HD1 PHE 99 HD2 PHE 99 -8.019 18.029 -24.361 768 HD2 PHE 99 HD1 PHE 99 -5.068 14.983 -24.003 769 HE1 PHE 99 HE2 PHE 99 -9.606 16.647 -23.087 770 HE2 PHE 99 HE1 PHE 99 -6.650 13.595 -22.729 771 HZ PHE 99 HZ PHE 99 -8.922 14.427 -22.268 772 H LYS 100 H LYS 100 -3.594 18.262 -27.707 773 HA LYS 100 HA LYS 100 -3.899 20.989 -27.596 774 HB2 LYS 100 1HB LYS 100 -1.990 19.439 -28.575 775 HB3 LYS 100 2HB LYS 100 -2.782 19.809 -30.101 776 HG2 LYS 100 1HG LYS 100 -1.891 21.937 -28.178 777 HG3 LYS 100 2HG LYS 100 -0.850 21.292 -29.449 778 HD2 LYS 100 1HD LYS 100 -2.898 21.852 -30.986 779 HD3 LYS 100 2HD LYS 100 -3.321 22.954 -29.673 780 HE2 LYS 100 1HE LYS 100 -1.985 24.402 -30.747 781 HE3 LYS 100 2HE LYS 100 -0.675 23.492 -29.996 782 HZ1 LYS 100 3HZ LYS 100 -1.122 22.040 -32.189 783 HZ2 LYS 100 1HZ LYS 100 0.016 23.290 -32.107 784 HZ3 LYS 100 2HZ LYS 100 -1.514 23.580 -32.768 785 H ASN 101 H ASN 101 -5.425 18.720 -29.775 786 HA ASN 101 HA ASN 101 -6.306 20.372 -31.801 787 HB2 ASN 101 1HB ASN 101 -7.430 17.905 -30.528 788 HB3 ASN 101 2HB ASN 101 -8.390 18.767 -31.727 789 HD21 ASN 101 1HD2 ASN 101 -5.546 16.876 -31.149 790 HD22 ASN 101 2HD2 ASN 101 -5.161 16.571 -32.805 791 H LYS 102 H LYS 102 -7.632 19.935 -28.568 792 HA LYS 102 HA LYS 102 -9.383 22.252 -29.053 793 HB2 LYS 102 1HB LYS 102 -10.007 19.641 -27.715 794 HB3 LYS 102 2HB LYS 102 -10.869 21.100 -27.247 795 HG2 LYS 102 1HG LYS 102 -10.721 20.061 -30.067 796 HG3 LYS 102 2HG LYS 102 -12.039 19.716 -28.944 797 HD2 LYS 102 1HD LYS 102 -12.323 22.219 -28.714 798 HD3 LYS 102 2HD LYS 102 -11.218 22.381 -30.081 799 HE2 LYS 102 1HE LYS 102 -12.794 20.810 -31.324 800 HE3 LYS 102 2HE LYS 102 -13.937 21.098 -30.013 801 HZ1 LYS 102 3HZ LYS 102 -13.345 22.733 -32.243 802 HZ2 LYS 102 1HZ LYS 102 -13.026 23.583 -30.816 803 HZ3 LYS 102 2HZ LYS 102 -14.559 22.920 -31.080 804 H GLY 103 H GLY 103 -6.665 21.973 -27.868 805 HA2 GLY 103 1HA GLY 103 -6.994 23.769 -25.712 806 HA3 GLY 103 2HA GLY 103 -6.699 22.155 -25.082 807 H PHE 104 H PHE 104 -5.376 24.691 -27.152 808 HA PHE 104 HA PHE 104 -2.916 23.624 -27.772 809 HB2 PHE 104 1HB PHE 104 -2.144 25.857 -28.124 810 HB3 PHE 104 2HB PHE 104 -3.855 25.838 -28.538 811 HD1 PHE 104 HD1 PHE 104 -5.503 26.621 -26.736 812 HD2 PHE 104 HD2 PHE 104 -1.321 27.402 -26.606 813 HE1 PHE 104 HE1 PHE 104 -5.902 28.479 -25.173 814 HE2 PHE 104 HE2 PHE 104 -1.713 29.260 -25.042 815 HZ PHE 104 HZ PHE 104 -4.006 29.800 -24.323 816 H LYS 105 H LYS 105 -4.036 24.919 -24.732 817 HA LYS 105 HA LYS 105 -1.462 25.114 -23.509 818 HB2 LYS 105 1HB LYS 105 -3.753 26.222 -22.857 819 HB3 LYS 105 2HB LYS 105 -3.978 24.747 -21.927 820 HG2 LYS 105 1HG LYS 105 -2.514 25.370 -20.357 821 HG3 LYS 105 2HG LYS 105 -1.372 26.016 -21.537 822 HD2 LYS 105 1HD LYS 105 -3.925 27.465 -20.952 823 HD3 LYS 105 2HD LYS 105 -2.538 27.633 -19.873 824 HE2 LYS 105 1HE LYS 105 -2.098 27.968 -22.795 825 HE3 LYS 105 2HE LYS 105 -2.921 29.262 -21.926 826 HZ1 LYS 105 3HZ LYS 105 -0.315 28.133 -21.074 827 HZ2 LYS 105 1HZ LYS 105 -1.069 29.533 -20.498 828 HZ3 LYS 105 2HZ LYS 105 -0.457 29.490 -22.074 829 H VAL 106 H VAL 106 -0.656 22.989 -24.158 830 HA VAL 106 HA VAL 106 -1.648 20.822 -22.424 831 HB VAL 106 HB VAL 106 -1.789 20.382 -24.873 832 HG11 VAL 106 1HG1 VAL 106 0.015 20.375 -26.275 833 HG12 VAL 106 2HG1 VAL 106 0.509 21.654 -25.165 834 HG13 VAL 106 3HG1 VAL 106 1.160 20.025 -24.981 835 HG21 VAL 106 3HG2 VAL 106 -1.744 18.463 -23.532 836 HG22 VAL 106 1HG2 VAL 106 -0.494 18.177 -24.743 837 HG23 VAL 106 2HG2 VAL 106 -0.045 18.685 -23.114 838 H GLU 107 H GLU 107 -0.262 19.784 -21.073 839 HA GLU 107 HA GLU 107 2.600 20.269 -21.266 840 HB2 GLU 107 1HB GLU 107 0.865 21.277 -19.042 841 HB3 GLU 107 2HB GLU 107 2.516 20.779 -18.698 842 HG2 GLU 107 1HG GLU 107 1.699 22.882 -20.690 843 HG3 GLU 107 2HG GLU 107 2.346 23.182 -19.078 844 H THR 108 H THR 108 3.859 18.733 -20.202 845 HA THR 108 HA THR 108 2.513 16.628 -18.697 846 HB THR 108 HB THR 108 3.367 14.822 -20.036 847 HG1 THR 108 HG1 THR 108 5.269 15.585 -20.856 848 HG21 THR 108 3HG2 THR 108 1.237 16.084 -20.728 849 HG22 THR 108 1HG2 THR 108 1.960 14.986 -21.903 850 HG23 THR 108 2HG2 THR 108 2.210 16.725 -22.051 851 H ASP 109 H ASP 109 3.730 15.902 -17.063 852 HA ASP 109 HA ASP 109 6.579 16.653 -17.044 853 HB2 ASP 109 1HB ASP 109 5.364 17.790 -15.294 854 HB3 ASP 109 2HB ASP 109 4.641 16.277 -14.754 855 H MET 110 H MET 110 7.777 14.947 -17.592 856 HA MET 110 HA MET 110 6.935 12.250 -17.046 857 HB2 MET 110 1HB MET 110 8.376 13.229 -19.033 858 HB3 MET 110 2HB MET 110 9.710 12.906 -17.934 859 HG2 MET 110 1HG MET 110 7.725 10.752 -18.433 860 HG3 MET 110 2HG MET 110 8.908 11.123 -19.685 861 HE1 MET 110 3HE MET 110 11.758 11.718 -17.789 862 HE2 MET 110 1HE MET 110 12.221 10.132 -18.406 863 HE3 MET 110 2HE MET 110 11.279 11.230 -19.415 Start of MODEL 12 1 H MET 1 H MET 1 3.819 0.505 -0.616 2 HA MET 1 HA MET 1 1.046 0.685 0.316 3 HB2 MET 1 1HB MET 1 3.149 2.727 -0.335 4 HB3 MET 1 2HB MET 1 1.451 3.180 -0.273 5 HG2 MET 1 1HG MET 1 1.287 2.731 2.004 6 HG3 MET 1 2HG MET 1 2.750 1.749 2.009 7 HE1 MET 1 3HE MET 1 5.592 3.767 2.366 8 HE2 MET 1 1HE MET 1 4.707 3.390 3.844 9 HE3 MET 1 2HE MET 1 4.711 2.244 2.504 10 H THR 2 H THR 2 -0.487 1.900 -1.074 11 HA THR 2 HA THR 2 -0.312 0.900 -3.799 12 HB THR 2 HB THR 2 -2.617 2.431 -2.597 13 HG1 THR 2 HG1 THR 2 -2.951 0.743 -1.379 14 HG21 THR 2 3HG2 THR 2 -3.456 0.404 -4.354 15 HG22 THR 2 1HG2 THR 2 -2.090 1.197 -5.139 16 HG23 THR 2 2HG2 THR 2 -3.487 2.146 -4.629 17 H LEU 3 H LEU 3 -0.390 2.163 -5.644 18 HA LEU 3 HA LEU 3 0.293 4.994 -5.235 19 HB2 LEU 3 1HB LEU 3 0.966 3.018 -7.386 20 HB3 LEU 3 2HB LEU 3 1.090 4.753 -7.674 21 HG LEU 3 HG LEU 3 2.584 3.267 -5.514 22 HD11 LEU 3 1HD1 LEU 3 4.413 3.093 -6.889 23 HD12 LEU 3 2HD1 LEU 3 3.875 4.391 -7.954 24 HD13 LEU 3 3HD1 LEU 3 3.104 2.807 -8.037 25 HD21 LEU 3 3HD2 LEU 3 2.274 6.093 -6.254 26 HD22 LEU 3 1HD2 LEU 3 3.937 5.562 -6.001 27 HD23 LEU 3 2HD2 LEU 3 2.742 5.363 -4.718 28 H CYS 4 H CYS 4 -1.467 6.228 -5.414 29 HA CYS 4 HA CYS 4 -3.410 5.610 -7.534 30 HB2 CYS 4 1HB CYS 4 -3.663 7.076 -4.916 31 HB3 CYS 4 2HB CYS 4 -4.866 7.253 -6.187 32 HG CYS 4 HG CYS 4 -6.200 5.426 -4.884 33 H ALA 5 H ALA 5 -4.427 7.495 -8.601 34 HA ALA 5 HA ALA 5 -2.547 9.749 -8.871 35 HB1 ALA 5 3HB ALA 5 -4.135 8.630 -11.165 36 HB2 ALA 5 1HB ALA 5 -2.789 9.769 -11.216 37 HB3 ALA 5 2HB ALA 5 -2.504 8.083 -10.780 38 H MET 6 H MET 6 -3.486 11.762 -9.549 39 HA MET 6 HA MET 6 -6.331 11.976 -8.818 40 HB2 MET 6 1HB MET 6 -3.965 13.681 -8.262 41 HB3 MET 6 2HB MET 6 -5.485 14.509 -8.567 42 HG2 MET 6 1HG MET 6 -5.184 14.181 -6.203 43 HG3 MET 6 2HG MET 6 -6.540 13.213 -6.777 44 HE1 MET 6 3HE MET 6 -5.576 11.197 -3.986 45 HE2 MET 6 1HE MET 6 -6.782 12.046 -4.954 46 HE3 MET 6 2HE MET 6 -6.388 10.365 -5.314 47 H TYR 7 H TYR 7 -7.533 12.099 -10.602 48 HA TYR 7 HA TYR 7 -6.516 13.612 -12.903 49 HB2 TYR 7 1HB TYR 7 -7.566 11.121 -12.866 50 HB3 TYR 7 2HB TYR 7 -9.023 12.061 -13.165 51 HD1 TYR 7 HD2 TYR 7 -8.114 14.208 -14.891 52 HD2 TYR 7 HD1 TYR 7 -6.972 10.109 -14.863 53 HE1 TYR 7 HE2 TYR 7 -7.530 14.360 -17.275 54 HE2 TYR 7 HE1 TYR 7 -6.384 10.250 -17.247 55 HH TYR 7 HH TYR 7 -6.896 13.237 -19.091 56 H ASN 8 H ASN 8 -7.086 15.691 -12.766 57 HA ASN 8 HA ASN 8 -9.704 16.417 -11.698 58 HB2 ASN 8 1HB ASN 8 -7.597 17.606 -10.979 59 HB3 ASN 8 2HB ASN 8 -7.497 18.269 -12.608 60 HD21 ASN 8 1HD2 ASN 8 -8.016 20.331 -12.476 61 HD22 ASN 8 2HD2 ASN 8 -9.398 20.977 -11.665 62 H ILE 9 H ILE 9 -11.377 16.753 -12.991 63 HA ILE 9 HA ILE 9 -10.882 17.689 -15.737 64 HB ILE 9 HB ILE 9 -11.416 15.314 -15.850 65 HG12 ILE 9 1HG1 ILE 9 -13.720 17.063 -16.739 66 HG13 ILE 9 2HG1 ILE 9 -12.231 16.789 -17.636 67 HG21 ILE 9 1HG2 ILE 9 -12.669 15.237 -13.700 68 HG22 ILE 9 2HG2 ILE 9 -14.035 15.988 -14.523 69 HG23 ILE 9 3HG2 ILE 9 -13.470 14.395 -15.026 70 HD11 ILE 9 3HD1 ILE 9 -13.129 15.018 -18.596 71 HD12 ILE 9 1HD1 ILE 9 -13.382 14.268 -17.021 72 HD13 ILE 9 2HD1 ILE 9 -14.628 15.307 -17.714 73 H SER 10 H SER 10 -11.988 19.455 -16.266 74 HA SER 10 HA SER 10 -14.489 20.050 -14.843 75 HB2 SER 10 1HB SER 10 -13.428 22.550 -15.245 76 HB3 SER 10 2HB SER 10 -13.373 21.664 -13.722 77 HG SER 10 HG SER 10 -11.298 21.513 -13.945 78 H MET 11 H MET 11 -15.731 19.512 -16.620 79 HA MET 11 HA MET 11 -15.292 20.145 -19.270 80 HB2 MET 11 1HB MET 11 -17.182 18.757 -18.120 81 HB3 MET 11 2HB MET 11 -18.063 20.279 -18.133 82 HG2 MET 11 1HG MET 11 -18.086 20.374 -20.473 83 HG3 MET 11 2HG MET 11 -16.838 19.139 -20.618 84 HE1 MET 11 3HE MET 11 -21.143 18.890 -20.885 85 HE2 MET 11 1HE MET 11 -20.934 19.042 -19.140 86 HE3 MET 11 2HE MET 11 -20.202 20.227 -20.223 87 H ALA 12 H ALA 12 -16.655 21.717 -20.588 88 HA ALA 12 HA ALA 12 -15.903 24.321 -20.079 89 HB1 ALA 12 3HB ALA 12 -16.589 23.640 -22.277 90 HB2 ALA 12 1HB ALA 12 -18.228 23.316 -21.712 91 HB3 ALA 12 2HB ALA 12 -17.619 24.971 -21.752 92 H GLY 13 H GLY 13 -16.376 25.424 -18.279 93 HA2 GLY 13 1HA GLY 13 -17.654 26.634 -16.792 94 HA3 GLY 13 2HA GLY 13 -19.064 26.231 -17.761 95 H SER 14 H SER 14 -16.762 24.224 -15.932 96 HA SER 14 HA SER 14 -18.896 23.439 -14.106 97 HB2 SER 14 1HB SER 14 -19.224 21.738 -15.703 98 HB3 SER 14 2HB SER 14 -17.495 21.563 -16.001 99 HG SER 14 HG SER 14 -18.512 21.050 -13.436 100 H HIS 15 H HIS 15 -18.179 22.973 -12.093 101 HA HIS 15 HA HIS 15 -15.697 23.797 -11.217 102 HB2 HIS 15 1HB HIS 15 -16.204 22.324 -9.179 103 HB3 HIS 15 2HB HIS 15 -17.374 23.577 -9.579 104 HD1 HIS 15 HD1 HIS 15 -16.889 19.840 -9.856 105 HD2 HIS 15 HD2 HIS 15 -19.916 22.677 -10.084 106 HE1 HIS 15 HE1 HIS 15 -19.033 18.530 -9.961 107 HA PRO 16 HA PRO 16 -12.789 20.636 -12.108 108 HB2 PRO 16 1HB PRO 16 -11.207 20.700 -9.902 109 HB3 PRO 16 2HB PRO 16 -11.198 21.973 -11.128 110 HG2 PRO 16 1HG PRO 16 -12.586 21.907 -8.477 111 HG3 PRO 16 2HG PRO 16 -11.690 23.235 -9.238 112 HD2 PRO 16 1HD PRO 16 -14.395 23.103 -9.256 113 HD3 PRO 16 2HD PRO 16 -13.465 23.828 -10.584 114 H THR 17 H THR 17 -13.745 18.653 -12.154 115 HA THR 17 HA THR 17 -14.654 17.343 -9.754 116 HB THR 17 HB THR 17 -14.423 16.321 -12.590 117 HG1 THR 17 HG1 THR 17 -16.351 17.166 -12.831 118 HG21 THR 17 3HG2 THR 17 -16.313 14.811 -11.224 119 HG22 THR 17 1HG2 THR 17 -14.966 14.947 -10.095 120 HG23 THR 17 2HG2 THR 17 -14.701 14.286 -11.708 121 H THR 18 H THR 18 -13.406 16.226 -8.420 122 HA THR 18 HA THR 18 -10.715 15.485 -9.207 123 HB THR 18 HB THR 18 -11.756 14.664 -6.554 124 HG1 THR 18 HG1 THR 18 -11.472 17.376 -7.370 125 HG21 THR 18 3HG2 THR 18 -9.589 14.799 -5.969 126 HG22 THR 18 1HG2 THR 18 -9.369 16.351 -6.776 127 HG23 THR 18 2HG2 THR 18 -9.284 14.854 -7.705 128 H ILE 19 H ILE 19 -10.539 13.676 -10.378 129 HA ILE 19 HA ILE 19 -12.104 11.321 -9.553 130 HB ILE 19 HB ILE 19 -10.753 11.687 -12.222 131 HG12 ILE 19 1HG1 ILE 19 -13.624 12.282 -11.471 132 HG13 ILE 19 2HG1 ILE 19 -12.408 13.472 -11.923 133 HG21 ILE 19 1HG2 ILE 19 -11.511 9.402 -11.211 134 HG22 ILE 19 2HG2 ILE 19 -13.117 9.950 -11.687 135 HG23 ILE 19 3HG2 ILE 19 -11.849 9.780 -12.900 136 HD11 ILE 19 3HD1 ILE 19 -13.978 12.955 -13.739 137 HD12 ILE 19 1HD1 ILE 19 -12.307 12.578 -14.155 138 HD13 ILE 19 2HD1 ILE 19 -13.421 11.282 -13.718 139 H CYS 20 H CYS 20 -10.861 10.207 -8.162 140 HA CYS 20 HA CYS 20 -8.005 9.999 -8.509 141 HB2 CYS 20 1HB CYS 20 -9.740 8.485 -6.554 142 HB3 CYS 20 2HB CYS 20 -8.008 8.776 -6.443 143 HG CYS 20 HG CYS 20 -9.974 10.329 -4.729 144 H VAL 21 H VAL 21 -7.040 8.561 -9.766 145 HA VAL 21 HA VAL 21 -8.333 5.951 -10.190 146 HB VAL 21 HB VAL 21 -6.868 7.485 -12.338 147 HG11 VAL 21 1HG1 VAL 21 -8.547 5.499 -13.402 148 HG12 VAL 21 2HG1 VAL 21 -6.783 5.522 -13.374 149 HG13 VAL 21 3HG1 VAL 21 -7.677 4.750 -12.064 150 HG21 VAL 21 3HG2 VAL 21 -9.414 7.296 -13.232 151 HG22 VAL 21 1HG2 VAL 21 -9.689 7.506 -11.503 152 HG23 VAL 21 2HG2 VAL 21 -8.762 8.708 -12.400 153 H VAL 22 H VAL 22 -7.047 4.249 -9.860 154 HA VAL 22 HA VAL 22 -4.519 4.454 -8.727 155 HB VAL 22 HB VAL 22 -5.996 2.450 -8.592 156 HG11 VAL 22 1HG1 VAL 22 -4.933 1.872 -11.356 157 HG12 VAL 22 2HG1 VAL 22 -5.935 0.798 -10.378 158 HG13 VAL 22 3HG1 VAL 22 -6.592 2.325 -10.968 159 HG21 VAL 22 3HG2 VAL 22 -3.292 2.607 -8.418 160 HG22 VAL 22 1HG2 VAL 22 -4.237 1.178 -8.003 161 HG23 VAL 22 2HG2 VAL 22 -3.482 1.305 -9.591 162 H MET 23 H MET 23 -2.428 3.943 -9.510 163 HA MET 23 HA MET 23 -1.715 5.153 -11.916 164 HB2 MET 23 1HB MET 23 -0.215 4.677 -9.941 165 HB3 MET 23 2HB MET 23 -0.114 3.015 -10.507 166 HG2 MET 23 1HG MET 23 0.580 4.261 -12.758 167 HG3 MET 23 2HG MET 23 1.111 5.472 -11.594 168 HE1 MET 23 3HE MET 23 3.539 2.114 -13.005 169 HE2 MET 23 1HE MET 23 1.790 2.001 -13.202 170 HE3 MET 23 2HE MET 23 2.652 3.423 -13.789 171 H ASP 24 H ASP 24 -2.537 1.826 -11.190 172 HA ASP 24 HA ASP 24 -1.633 0.731 -13.658 173 HB2 ASP 24 1HB ASP 24 -3.366 -0.226 -11.415 174 HB3 ASP 24 2HB ASP 24 -3.364 -1.119 -12.933 175 H ARG 25 H ARG 25 -4.184 2.761 -12.920 176 HA ARG 25 HA ARG 25 -5.670 1.905 -15.317 177 HB2 ARG 25 1HB ARG 25 -6.662 3.172 -12.766 178 HB3 ARG 25 2HB ARG 25 -7.629 3.104 -14.233 179 HG2 ARG 25 1HG ARG 25 -7.598 0.694 -14.196 180 HG3 ARG 25 2HG ARG 25 -6.513 0.701 -12.804 181 HD2 ARG 25 1HD ARG 25 -8.452 2.176 -11.767 182 HD3 ARG 25 2HD ARG 25 -9.419 1.311 -12.961 183 HE ARG 25 HE ARG 25 -7.936 -0.603 -11.636 184 HH11 ARG 25 1HH1 ARG 25 -10.333 1.785 -10.817 185 HH12 ARG 25 2HH1 ARG 25 -10.975 0.875 -9.490 186 HH21 ARG 25 1HH2 ARG 25 -8.773 -1.811 -9.892 187 HH22 ARG 25 2HH2 ARG 25 -10.087 -1.170 -8.964 188 H PHE 26 H PHE 26 -3.384 3.887 -14.761 189 HA PHE 26 HA PHE 26 -4.410 6.487 -15.234 190 HB2 PHE 26 1HB PHE 26 -1.925 5.402 -14.623 191 HB3 PHE 26 2HB PHE 26 -1.708 6.070 -16.237 192 HD1 PHE 26 HD1 PHE 26 -3.552 8.398 -16.075 193 HD2 PHE 26 HD2 PHE 26 -0.713 6.880 -13.291 194 HE1 PHE 26 HE1 PHE 26 -3.301 10.648 -15.111 195 HE2 PHE 26 HE2 PHE 26 -0.457 9.127 -12.322 196 HZ PHE 26 HZ PHE 26 -1.752 11.014 -13.231 197 H LEU 27 H LEU 27 -2.787 4.167 -17.400 198 HA LEU 27 HA LEU 27 -2.995 5.629 -19.752 199 HB2 LEU 27 1HB LEU 27 -1.845 3.336 -19.170 200 HB3 LEU 27 2HB LEU 27 -3.342 2.670 -19.820 201 HG LEU 27 HG LEU 27 -1.839 2.636 -21.613 202 HD11 LEU 27 1HD1 LEU 27 -4.084 3.705 -22.053 203 HD12 LEU 27 2HD1 LEU 27 -2.816 4.053 -23.228 204 HD13 LEU 27 3HD1 LEU 27 -3.251 5.260 -22.018 205 HD21 LEU 27 3HD2 LEU 27 -0.008 3.885 -21.620 206 HD22 LEU 27 1HD2 LEU 27 -0.634 4.819 -20.261 207 HD23 LEU 27 2HD2 LEU 27 -0.981 5.327 -21.914 208 H GLU 28 H GLU 28 -5.215 3.131 -18.514 209 HA GLU 28 HA GLU 28 -7.108 3.305 -20.562 210 HB2 GLU 28 1HB GLU 28 -6.900 1.577 -18.662 211 HB3 GLU 28 2HB GLU 28 -7.836 2.715 -17.703 212 HG2 GLU 28 1HG GLU 28 -9.399 1.203 -18.551 213 HG3 GLU 28 2HG GLU 28 -9.559 2.639 -19.561 214 H SER 29 H SER 29 -7.004 4.964 -17.419 215 HA SER 29 HA SER 29 -9.381 6.369 -17.581 216 HB2 SER 29 1HB SER 29 -7.920 6.289 -15.575 217 HB3 SER 29 2HB SER 29 -6.788 7.374 -16.383 218 HG SER 29 HG SER 29 -8.337 8.976 -16.364 219 H PHE 30 H PHE 30 -6.152 7.552 -18.528 220 HA PHE 30 HA PHE 30 -7.036 9.962 -19.656 221 HB2 PHE 30 1HB PHE 30 -4.598 8.888 -19.133 222 HB3 PHE 30 2HB PHE 30 -4.652 8.726 -20.885 223 HD1 PHE 30 HD2 PHE 30 -5.591 10.943 -22.088 224 HD2 PHE 30 HD1 PHE 30 -3.639 10.791 -18.308 225 HE1 PHE 30 HE2 PHE 30 -4.952 13.307 -22.327 226 HE2 PHE 30 HE1 PHE 30 -2.998 13.155 -18.541 227 HZ PHE 30 HZ PHE 30 -3.653 14.416 -20.552 228 H SER 31 H SER 31 -6.493 6.776 -21.092 229 HA SER 31 HA SER 31 -6.814 7.400 -23.771 230 HB2 SER 31 1HB SER 31 -6.134 5.203 -23.350 231 HB3 SER 31 2HB SER 31 -7.411 4.932 -22.164 232 HG SER 31 HG SER 31 -7.878 3.874 -24.119 233 H GLU 32 H GLU 32 -9.290 6.656 -21.346 234 HA GLU 32 HA GLU 32 -11.446 6.975 -23.229 235 HB2 GLU 32 1HB GLU 32 -11.374 6.616 -20.234 236 HB3 GLU 32 2HB GLU 32 -12.869 6.811 -21.139 237 HG2 GLU 32 1HG GLU 32 -10.860 4.593 -21.450 238 HG3 GLU 32 2HG GLU 32 -12.455 4.477 -20.710 239 H LEU 33 H LEU 33 -9.839 8.930 -20.810 240 HA LEU 33 HA LEU 33 -11.720 10.986 -20.557 241 HB2 LEU 33 1HB LEU 33 -9.489 10.497 -19.290 242 HB3 LEU 33 2HB LEU 33 -8.788 11.554 -20.515 243 HG LEU 33 HG LEU 33 -9.269 12.749 -18.434 244 HD11 LEU 33 1HD1 LEU 33 -9.929 14.637 -19.491 245 HD12 LEU 33 2HD1 LEU 33 -11.301 13.855 -20.274 246 HD13 LEU 33 3HD1 LEU 33 -9.675 13.635 -20.920 247 HD21 LEU 33 3HD2 LEU 33 -11.122 12.382 -17.273 248 HD22 LEU 33 1HD2 LEU 33 -11.661 11.246 -18.511 249 HD23 LEU 33 2HD2 LEU 33 -12.106 12.949 -18.623 250 H TYR 34 H TYR 34 -8.987 10.636 -22.797 251 HA TYR 34 HA TYR 34 -9.243 13.097 -24.095 252 HB2 TYR 34 1HB TYR 34 -7.265 11.785 -24.434 253 HB3 TYR 34 2HB TYR 34 -8.198 10.438 -25.078 254 HD1 TYR 34 HD1 TYR 34 -8.216 14.094 -25.857 255 HD2 TYR 34 HD2 TYR 34 -7.625 10.134 -27.295 256 HE1 TYR 34 HE1 TYR 34 -7.905 14.974 -28.132 257 HE2 TYR 34 HE2 TYR 34 -7.311 11.002 -29.575 258 HH TYR 34 HH TYR 34 -8.098 13.176 -30.840 259 H ASP 35 H ASP 35 -11.181 10.266 -24.261 260 HA ASP 35 HA ASP 35 -12.381 10.963 -26.810 261 HB2 ASP 35 1HB ASP 35 -12.409 8.644 -25.006 262 HB3 ASP 35 2HB ASP 35 -13.963 8.986 -25.762 263 H ILE 36 H ILE 36 -13.648 10.423 -23.517 264 HA ILE 36 HA ILE 36 -16.169 11.526 -23.944 265 HB ILE 36 HB ILE 36 -15.695 10.216 -21.962 266 HG12 ILE 36 1HG1 ILE 36 -16.356 13.020 -21.060 267 HG13 ILE 36 2HG1 ILE 36 -17.486 12.016 -21.963 268 HG21 ILE 36 1HG2 ILE 36 -14.087 12.520 -20.891 269 HG22 ILE 36 2HG2 ILE 36 -14.266 10.904 -20.209 270 HG23 ILE 36 3HG2 ILE 36 -13.356 11.135 -21.701 271 HD11 ILE 36 3HD1 ILE 36 -17.621 10.440 -20.205 272 HD12 ILE 36 1HD1 ILE 36 -16.262 11.173 -19.353 273 HD13 ILE 36 2HD1 ILE 36 -17.795 12.038 -19.479 274 H ILE 37 H ILE 37 -13.138 13.064 -23.008 275 HA ILE 37 HA ILE 37 -14.107 15.584 -22.309 276 HB ILE 37 HB ILE 37 -11.744 14.763 -22.024 277 HG12 ILE 37 1HG1 ILE 37 -10.812 17.130 -22.845 278 HG13 ILE 37 2HG1 ILE 37 -12.534 17.459 -23.010 279 HG21 ILE 37 1HG2 ILE 37 -11.275 15.750 -24.818 280 HG22 ILE 37 2HG2 ILE 37 -10.197 14.823 -23.776 281 HG23 ILE 37 3HG2 ILE 37 -11.618 14.054 -24.480 282 HD11 ILE 37 3HD1 ILE 37 -11.445 16.321 -20.473 283 HD12 ILE 37 1HD1 ILE 37 -11.343 18.050 -20.806 284 HD13 ILE 37 2HD1 ILE 37 -12.916 17.255 -20.740 285 H ASP 38 H ASP 38 -13.642 14.114 -25.431 286 HA ASP 38 HA ASP 38 -13.758 16.525 -26.952 287 HB2 ASP 38 1HB ASP 38 -12.829 14.239 -27.677 288 HB3 ASP 38 2HB ASP 38 -14.507 13.797 -27.986 289 H GLU 39 H GLU 39 -16.116 14.355 -25.603 290 HA GLU 39 HA GLU 39 -18.282 15.584 -27.129 291 HB2 GLU 39 1HB GLU 39 -17.994 13.037 -26.507 292 HB3 GLU 39 2HB GLU 39 -18.745 13.540 -24.998 293 HG2 GLU 39 1HG GLU 39 -20.362 12.660 -26.618 294 HG3 GLU 39 2HG GLU 39 -20.688 14.334 -26.173 295 H ASN 40 H ASN 40 -20.265 16.230 -25.914 296 HA ASN 40 HA ASN 40 -19.506 17.666 -23.457 297 HB2 ASN 40 1HB ASN 40 -20.291 18.868 -25.681 298 HB3 ASN 40 2HB ASN 40 -21.892 18.465 -25.069 299 HD21 ASN 40 1HD2 ASN 40 -22.797 19.859 -23.741 300 HD22 ASN 40 2HD2 ASN 40 -21.976 21.090 -22.847 301 H ASP 41 H ASP 41 -20.241 15.037 -23.185 302 HA ASP 41 HA ASP 41 -23.064 14.953 -22.484 303 HB2 ASP 41 1HB ASP 41 -20.917 12.831 -22.280 304 HB3 ASP 41 2HB ASP 41 -22.630 12.579 -21.960 305 H THR 42 H THR 42 -23.564 15.944 -20.632 306 HA THR 42 HA THR 42 -21.728 15.965 -18.392 307 HB THR 42 HB THR 42 -24.547 17.002 -18.287 308 HG1 THR 42 HG1 THR 42 -23.883 18.081 -20.047 309 HG21 THR 42 3HG2 THR 42 -23.821 17.616 -16.266 310 HG22 THR 42 1HG2 THR 42 -22.765 18.768 -17.082 311 HG23 THR 42 2HG2 THR 42 -22.160 17.167 -16.654 312 H ASP 43 H ASP 43 -24.614 14.288 -19.381 313 HA ASP 43 HA ASP 43 -25.329 13.278 -16.817 314 HB2 ASP 43 1HB ASP 43 -27.033 13.319 -18.478 315 HB3 ASP 43 2HB ASP 43 -26.033 12.432 -19.626 316 H VAL 44 H VAL 44 -23.267 12.139 -19.426 317 HA VAL 44 HA VAL 44 -22.831 9.553 -18.245 318 HB VAL 44 HB VAL 44 -21.285 10.934 -20.444 319 HG11 VAL 44 1HG1 VAL 44 -19.863 9.247 -19.868 320 HG12 VAL 44 2HG1 VAL 44 -21.152 8.230 -19.220 321 HG13 VAL 44 3HG1 VAL 44 -20.925 8.363 -20.964 322 HG21 VAL 44 3HG2 VAL 44 -23.925 9.964 -20.446 323 HG22 VAL 44 1HG2 VAL 44 -22.956 10.467 -21.831 324 HG23 VAL 44 2HG2 VAL 44 -22.958 8.778 -21.324 325 H MET 45 H MET 45 -21.405 12.691 -17.999 326 HA MET 45 HA MET 45 -18.808 12.129 -17.233 327 HB2 MET 45 1HB MET 45 -20.714 14.335 -16.755 328 HB3 MET 45 2HB MET 45 -19.380 14.228 -15.615 329 HG2 MET 45 1HG MET 45 -17.994 13.989 -17.870 330 HG3 MET 45 2HG MET 45 -19.371 14.894 -18.495 331 HE1 MET 45 3HE MET 45 -16.435 14.575 -16.383 332 HE2 MET 45 1HE MET 45 -15.887 16.220 -16.058 333 HE3 MET 45 2HE MET 45 -17.030 15.440 -14.965 334 H MET 46 H MET 46 -21.671 12.416 -15.128 335 HA MET 46 HA MET 46 -20.457 11.869 -12.701 336 HB2 MET 46 1HB MET 46 -22.755 12.624 -12.834 337 HB3 MET 46 2HB MET 46 -23.233 11.141 -13.649 338 HG2 MET 46 1HG MET 46 -23.925 11.011 -11.373 339 HG3 MET 46 2HG MET 46 -22.598 9.877 -11.617 340 HE1 MET 46 3HE MET 46 -23.217 13.674 -10.614 341 HE2 MET 46 1HE MET 46 -24.038 12.600 -9.481 342 HE3 MET 46 2HE MET 46 -22.670 13.573 -8.940 343 H ASP 47 H ASP 47 -22.046 9.543 -14.887 344 HA ASP 47 HA ASP 47 -21.454 7.237 -13.430 345 HB2 ASP 47 1HB ASP 47 -23.045 6.976 -15.133 346 HB3 ASP 47 2HB ASP 47 -22.013 7.739 -16.340 347 H PHE 48 H PHE 48 -19.544 9.032 -15.767 348 HA PHE 48 HA PHE 48 -17.508 7.097 -16.113 349 HB2 PHE 48 1HB PHE 48 -17.694 8.828 -17.746 350 HB3 PHE 48 2HB PHE 48 -17.561 10.087 -16.521 351 HD1 PHE 48 HD1 PHE 48 -15.714 7.503 -18.379 352 HD2 PHE 48 HD2 PHE 48 -15.447 10.829 -15.737 353 HE1 PHE 48 HE1 PHE 48 -13.283 7.596 -18.747 354 HE2 PHE 48 HE2 PHE 48 -13.016 10.928 -16.102 355 HZ PHE 48 HZ PHE 48 -11.931 9.310 -17.609 356 H ILE 49 H ILE 49 -17.831 9.883 -13.947 357 HA ILE 49 HA ILE 49 -15.283 9.660 -12.755 358 HB ILE 49 HB ILE 49 -17.815 10.843 -11.611 359 HG12 ILE 49 1HG1 ILE 49 -15.595 12.529 -12.627 360 HG13 ILE 49 2HG1 ILE 49 -16.554 11.682 -13.837 361 HG21 ILE 49 1HG2 ILE 49 -16.684 11.110 -9.721 362 HG22 ILE 49 2HG2 ILE 49 -15.240 10.398 -10.441 363 HG23 ILE 49 3HG2 ILE 49 -15.537 12.130 -10.590 364 HD11 ILE 49 3HD1 ILE 49 -18.011 13.169 -11.733 365 HD12 ILE 49 1HD1 ILE 49 -17.175 14.102 -12.973 366 HD13 ILE 49 2HD1 ILE 49 -18.406 12.925 -13.434 367 H SER 50 H SER 50 -18.438 8.309 -11.910 368 HA SER 50 HA SER 50 -17.505 7.102 -9.483 369 HB2 SER 50 1HB SER 50 -19.933 7.788 -10.153 370 HB3 SER 50 2HB SER 50 -19.979 6.206 -10.932 371 HG SER 50 HG SER 50 -19.352 5.329 -8.861 372 H ARG 51 H ARG 51 -17.663 6.185 -12.822 373 HA ARG 51 HA ARG 51 -17.423 3.368 -12.408 374 HB2 ARG 51 1HB ARG 51 -18.364 4.200 -14.477 375 HB3 ARG 51 2HB ARG 51 -16.890 5.090 -14.832 376 HG2 ARG 51 1HG ARG 51 -15.731 3.203 -15.441 377 HG3 ARG 51 2HG ARG 51 -16.752 2.136 -14.474 378 HD2 ARG 51 1HD ARG 51 -18.452 2.122 -16.056 379 HD3 ARG 51 2HD ARG 51 -17.892 3.613 -16.813 380 HE ARG 51 HE ARG 51 -15.964 1.548 -17.078 381 HH11 ARG 51 1HH1 ARG 51 -19.014 2.661 -18.334 382 HH12 ARG 51 2HH1 ARG 51 -18.789 1.929 -19.888 383 HH21 ARG 51 1HH2 ARG 51 -15.656 0.581 -19.121 384 HH22 ARG 51 2HH2 ARG 51 -16.879 0.746 -20.335 385 H PHE 52 H PHE 52 -15.146 5.975 -13.173 386 HA PHE 52 HA PHE 52 -12.892 4.154 -13.097 387 HB2 PHE 52 1HB PHE 52 -13.345 6.965 -13.890 388 HB3 PHE 52 2HB PHE 52 -11.759 6.614 -13.210 389 HD1 PHE 52 HD1 PHE 52 -10.411 4.728 -14.251 390 HD2 PHE 52 HD2 PHE 52 -13.831 6.452 -16.106 391 HE1 PHE 52 HE1 PHE 52 -9.672 3.844 -16.426 392 HE2 PHE 52 HE2 PHE 52 -13.099 5.571 -18.283 393 HZ PHE 52 HZ PHE 52 -11.018 4.264 -18.445 394 H ALA 53 H ALA 53 -13.866 7.080 -11.306 395 HA ALA 53 HA ALA 53 -11.958 6.501 -9.205 396 HB1 ALA 53 3HB ALA 53 -12.007 8.723 -9.113 397 HB2 ALA 53 1HB ALA 53 -13.478 8.797 -10.084 398 HB3 ALA 53 2HB ALA 53 -13.584 8.580 -8.337 399 H ARG 54 H ARG 54 -12.457 5.995 -7.071 400 HA ARG 54 HA ARG 54 -15.107 4.783 -6.701 401 HB2 ARG 54 1HB ARG 54 -12.403 4.227 -5.523 402 HB3 ARG 54 2HB ARG 54 -13.858 3.710 -4.682 403 HG2 ARG 54 1HG ARG 54 -14.483 2.267 -6.437 404 HG3 ARG 54 2HG ARG 54 -13.306 2.981 -7.541 405 HD2 ARG 54 1HD ARG 54 -12.429 1.657 -5.001 406 HD3 ARG 54 2HD ARG 54 -12.774 0.703 -6.443 407 HE ARG 54 HE ARG 54 -11.011 2.837 -7.049 408 HH11 ARG 54 1HH1 ARG 54 -11.130 -0.284 -5.510 409 HH12 ARG 54 2HH1 ARG 54 -9.460 -0.638 -5.806 410 HH21 ARG 54 1HH2 ARG 54 -8.811 2.382 -7.444 411 HH22 ARG 54 2HH2 ARG 54 -8.142 0.879 -6.905 412 H THR 55 H THR 55 -15.772 4.747 -4.285 413 HA THR 55 HA THR 55 -15.189 7.329 -3.011 414 HB THR 55 HB THR 55 -17.608 7.569 -2.439 415 HG1 THR 55 HG1 THR 55 -18.781 5.855 -2.838 416 HG21 THR 55 3HG2 THR 55 -18.108 8.725 -4.368 417 HG22 THR 55 1HG2 THR 55 -17.441 7.477 -5.419 418 HG23 THR 55 2HG2 THR 55 -16.361 8.553 -4.532 419 H ASP 56 H ASP 56 -17.231 4.446 -2.486 420 HA ASP 56 HA ASP 56 -16.995 4.475 0.315 421 HB2 ASP 56 1HB ASP 56 -18.646 3.188 -1.266 422 HB3 ASP 56 2HB ASP 56 -17.428 1.917 -1.185 423 H GLU 57 H GLU 57 -15.740 3.254 1.733 424 HA GLU 57 HA GLU 57 -13.766 2.426 2.518 425 HB2 GLU 57 1HB GLU 57 -14.376 0.731 0.130 426 HB3 GLU 57 2HB GLU 57 -12.844 0.513 0.964 427 HG2 GLU 57 1HG GLU 57 -13.795 -0.494 2.722 428 HG3 GLU 57 2HG GLU 57 -15.188 0.585 2.719 429 H ILE 58 H ILE 58 -13.134 4.750 1.688 430 HA ILE 58 HA ILE 58 -11.412 4.962 -0.547 431 HB ILE 58 HB ILE 58 -12.545 6.895 0.547 432 HG12 ILE 58 1HG1 ILE 58 -10.258 6.866 -0.845 433 HG13 ILE 58 2HG1 ILE 58 -10.962 8.354 -0.221 434 HG21 ILE 58 1HG2 ILE 58 -10.480 6.389 2.679 435 HG22 ILE 58 2HG2 ILE 58 -11.375 7.900 2.519 436 HG23 ILE 58 3HG2 ILE 58 -12.234 6.397 2.857 437 HD11 ILE 58 3HD1 ILE 58 -8.991 6.812 1.408 438 HD12 ILE 58 1HD1 ILE 58 -8.453 7.901 0.130 439 HD13 ILE 58 2HD1 ILE 58 -9.405 8.525 1.477 440 H MET 59 H MET 59 -9.163 5.064 -0.666 441 HA MET 59 HA MET 59 -7.770 3.736 1.559 442 HB2 MET 59 1HB MET 59 -6.035 3.230 -0.249 443 HB3 MET 59 2HB MET 59 -7.566 2.370 -0.347 444 HG2 MET 59 1HG MET 59 -8.338 3.961 -2.043 445 HG3 MET 59 2HG MET 59 -6.784 4.788 -1.958 446 HE1 MET 59 3HE MET 59 -8.691 2.083 -4.062 447 HE2 MET 59 1HE MET 59 -7.677 0.675 -3.745 448 HE3 MET 59 2HE MET 59 -8.532 1.462 -2.418 449 HA PRO 60 HA PRO 60 -6.102 7.999 1.725 450 HB2 PRO 60 1HB PRO 60 -5.617 7.924 4.395 451 HB3 PRO 60 2HB PRO 60 -7.199 8.325 3.718 452 HG2 PRO 60 1HG PRO 60 -6.220 5.725 4.832 453 HG3 PRO 60 2HG PRO 60 -7.782 6.528 5.074 454 HD2 PRO 60 1HD PRO 60 -7.451 4.479 3.335 455 HD3 PRO 60 2HD PRO 60 -8.616 5.789 3.056 456 H GLU 61 H GLU 61 -4.869 4.953 2.977 457 HA GLU 61 HA GLU 61 -2.248 5.767 3.564 458 HB2 GLU 61 1HB GLU 61 -1.692 3.323 3.226 459 HB3 GLU 61 2HB GLU 61 -2.961 3.663 4.393 460 HG2 GLU 61 1HG GLU 61 -4.626 2.835 3.029 461 HG3 GLU 61 2HG GLU 61 -3.673 3.050 1.562 462 H ASP 62 H ASP 62 -3.842 5.168 0.566 463 HA ASP 62 HA ASP 62 -1.779 4.460 -1.126 464 HB2 ASP 62 1HB ASP 62 -3.098 5.298 -2.922 465 HB3 ASP 62 2HB ASP 62 -4.232 4.720 -1.704 466 H LYS 63 H LYS 63 -0.810 5.942 -2.846 467 HA LYS 63 HA LYS 63 0.022 8.508 -1.675 468 HB2 LYS 63 1HB LYS 63 1.693 6.471 -1.532 469 HB3 LYS 63 2HB LYS 63 1.999 6.879 -3.215 470 HG2 LYS 63 1HG LYS 63 2.881 8.961 -2.681 471 HG3 LYS 63 2HG LYS 63 2.136 8.973 -1.081 472 HD2 LYS 63 1HD LYS 63 3.658 7.306 -0.287 473 HD3 LYS 63 2HD LYS 63 4.295 7.039 -1.912 474 HE2 LYS 63 1HE LYS 63 5.920 8.405 -1.062 475 HE3 LYS 63 2HE LYS 63 4.837 9.611 -1.756 476 HZ1 LYS 63 3HZ LYS 63 4.494 8.780 1.045 477 HZ2 LYS 63 1HZ LYS 63 4.075 10.242 0.304 478 HZ3 LYS 63 2HZ LYS 63 5.695 9.902 0.647 479 H THR 64 H THR 64 1.008 9.981 -3.290 480 HA THR 64 HA THR 64 -0.602 10.012 -5.680 481 HB THR 64 HB THR 64 1.471 12.027 -5.661 482 HG1 THR 64 HG1 THR 64 1.562 11.972 -3.476 483 HG21 THR 64 3HG2 THR 64 -1.508 12.269 -5.236 484 HG22 THR 64 1HG2 THR 64 -0.734 12.132 -6.814 485 HG23 THR 64 2HG2 THR 64 -0.409 13.531 -5.790 486 H VAL 65 H VAL 65 -0.034 9.293 -7.625 487 HA VAL 65 HA VAL 65 2.819 8.748 -8.135 488 HB VAL 65 HB VAL 65 1.394 6.707 -7.960 489 HG11 VAL 65 1HG1 VAL 65 -0.386 8.201 -9.499 490 HG12 VAL 65 2HG1 VAL 65 0.197 6.930 -10.576 491 HG13 VAL 65 3HG1 VAL 65 -0.545 6.508 -9.032 492 HG21 VAL 65 3HG2 VAL 65 2.282 6.887 -10.800 493 HG22 VAL 65 1HG2 VAL 65 3.473 7.098 -9.516 494 HG23 VAL 65 2HG2 VAL 65 2.540 5.605 -9.617 495 H GLY 66 H GLY 66 0.133 10.563 -9.053 496 HA2 GLY 66 1HA GLY 66 1.426 12.048 -10.997 497 HA3 GLY 66 2HA GLY 66 0.593 10.760 -11.855 498 H PHE 67 H PHE 67 0.172 13.692 -11.853 499 HA PHE 67 HA PHE 67 -2.697 13.631 -11.227 500 HB2 PHE 67 1HB PHE 67 -2.467 16.075 -10.560 501 HB3 PHE 67 2HB PHE 67 -1.815 14.898 -9.425 502 HD1 PHE 67 HD1 PHE 67 0.619 14.589 -9.225 503 HD2 PHE 67 HD2 PHE 67 -1.065 17.642 -11.665 504 HE1 PHE 67 HE1 PHE 67 2.794 15.738 -9.282 505 HE2 PHE 67 HE2 PHE 67 1.107 18.795 -11.728 506 HZ PHE 67 HZ PHE 67 3.041 17.843 -10.536 507 H VAL 68 H VAL 68 -4.020 14.704 -12.655 508 HA VAL 68 HA VAL 68 -2.725 16.031 -14.940 509 HB VAL 68 HB VAL 68 -5.013 14.066 -15.122 510 HG11 VAL 68 1HG1 VAL 68 -5.395 15.695 -16.774 511 HG12 VAL 68 2HG1 VAL 68 -3.679 15.822 -17.163 512 HG13 VAL 68 3HG1 VAL 68 -4.580 14.373 -17.610 513 HG21 VAL 68 3HG2 VAL 68 -3.526 12.560 -16.158 514 HG22 VAL 68 1HG2 VAL 68 -2.274 13.790 -16.329 515 HG23 VAL 68 2HG2 VAL 68 -2.673 13.153 -14.733 516 H VAL 69 H VAL 69 -3.415 18.054 -15.069 517 HA VAL 69 HA VAL 69 -6.008 18.777 -13.927 518 HB VAL 69 HB VAL 69 -3.779 20.548 -14.941 519 HG11 VAL 69 1HG1 VAL 69 -6.441 21.131 -13.693 520 HG12 VAL 69 2HG1 VAL 69 -5.094 22.260 -13.540 521 HG13 VAL 69 3HG1 VAL 69 -5.713 21.834 -15.137 522 HG21 VAL 69 3HG2 VAL 69 -2.892 19.628 -13.023 523 HG22 VAL 69 1HG2 VAL 69 -3.720 21.045 -12.377 524 HG23 VAL 69 2HG2 VAL 69 -4.467 19.452 -12.250 525 H VAL 70 H VAL 70 -7.716 18.821 -15.219 526 HA VAL 70 HA VAL 70 -7.347 19.683 -18.014 527 HB VAL 70 HB VAL 70 -9.294 17.608 -16.995 528 HG11 VAL 70 1HG1 VAL 70 -9.268 19.236 -19.387 529 HG12 VAL 70 2HG1 VAL 70 -9.211 17.514 -19.768 530 HG13 VAL 70 3HG1 VAL 70 -10.518 18.156 -18.773 531 HG21 VAL 70 3HG2 VAL 70 -7.980 16.118 -18.550 532 HG22 VAL 70 1HG2 VAL 70 -6.778 17.406 -18.636 533 HG23 VAL 70 2HG2 VAL 70 -7.133 16.632 -17.091 534 H ASN 71 H ASN 71 -8.215 21.633 -18.244 535 HA ASN 71 HA ASN 71 -10.822 22.159 -16.977 536 HB2 ASN 71 1HB ASN 71 -8.396 23.927 -17.168 537 HB3 ASN 71 2HB ASN 71 -10.006 24.619 -16.994 538 HD21 ASN 71 1HD2 ASN 71 -7.810 22.263 -15.538 539 HD22 ASN 71 2HD2 ASN 71 -8.330 22.522 -13.911 540 H ALA 72 H ALA 72 -12.302 22.213 -18.531 541 HA ALA 72 HA ALA 72 -11.656 22.840 -21.255 542 HB1 ALA 72 3HB ALA 72 -13.360 21.383 -21.374 543 HB2 ALA 72 1HB ALA 72 -13.985 21.827 -19.786 544 HB3 ALA 72 2HB ALA 72 -14.371 22.817 -21.195 545 H ASP 73 H ASP 73 -13.332 24.470 -18.608 546 HA ASP 73 HA ASP 73 -14.322 26.658 -20.063 547 HB2 ASP 73 1HB ASP 73 -14.625 25.838 -17.525 548 HB3 ASP 73 2HB ASP 73 -13.442 27.116 -17.263 549 H LYS 74 H LYS 74 -11.348 26.373 -18.121 550 HA LYS 74 HA LYS 74 -10.373 28.916 -19.089 551 HB2 LYS 74 1HB LYS 74 -9.393 26.853 -17.156 552 HB3 LYS 74 2HB LYS 74 -8.256 28.030 -17.799 553 HG2 LYS 74 1HG LYS 74 -8.927 29.109 -15.910 554 HG3 LYS 74 2HG LYS 74 -10.111 29.740 -17.058 555 HD2 LYS 74 1HD LYS 74 -11.738 28.094 -16.319 556 HD3 LYS 74 2HD LYS 74 -10.552 27.385 -15.222 557 HE2 LYS 74 1HE LYS 74 -11.528 30.234 -15.073 558 HE3 LYS 74 2HE LYS 74 -12.179 28.907 -14.111 559 HZ1 LYS 74 3HZ LYS 74 -9.550 28.696 -13.631 560 HZ2 LYS 74 1HZ LYS 74 -10.631 29.547 -12.647 561 HZ3 LYS 74 2HZ LYS 74 -9.707 30.371 -13.800 562 H LYS 75 H LYS 75 -10.288 25.696 -20.133 563 HA LYS 75 HA LYS 75 -9.259 24.652 -21.872 564 HB2 LYS 75 1HB LYS 75 -8.186 27.348 -22.691 565 HB3 LYS 75 2HB LYS 75 -8.493 25.952 -23.716 566 HG2 LYS 75 1HG LYS 75 -10.901 26.204 -23.313 567 HG3 LYS 75 2HG LYS 75 -10.573 27.632 -22.328 568 HD2 LYS 75 1HD LYS 75 -9.482 28.669 -24.315 569 HD3 LYS 75 2HD LYS 75 -10.004 27.279 -25.270 570 HE2 LYS 75 1HE LYS 75 -11.961 28.906 -23.683 571 HE3 LYS 75 2HE LYS 75 -11.457 29.405 -25.296 572 HZ1 LYS 75 3HZ LYS 75 -12.418 27.546 -26.259 573 HZ2 LYS 75 1HZ LYS 75 -13.541 27.964 -25.064 574 HZ3 LYS 75 2HZ LYS 75 -12.473 26.678 -24.807 575 H LEU 76 H LEU 76 -7.934 24.295 -19.630 576 HA LEU 76 HA LEU 76 -5.105 24.688 -20.354 577 HB2 LEU 76 1HB LEU 76 -6.163 24.446 -17.548 578 HB3 LEU 76 2HB LEU 76 -4.527 24.868 -18.049 579 HG LEU 76 HG LEU 76 -6.851 26.632 -18.741 580 HD11 LEU 76 1HD1 LEU 76 -5.224 26.848 -16.217 581 HD12 LEU 76 2HD1 LEU 76 -6.851 26.172 -16.285 582 HD13 LEU 76 3HD1 LEU 76 -6.579 27.860 -16.717 583 HD21 LEU 76 3HD2 LEU 76 -4.561 28.095 -18.142 584 HD22 LEU 76 1HD2 LEU 76 -5.205 27.738 -19.745 585 HD23 LEU 76 2HD2 LEU 76 -3.979 26.688 -19.034 586 H MET 77 H MET 77 -4.020 22.871 -20.706 587 HA MET 77 HA MET 77 -5.009 20.385 -19.472 588 HB2 MET 77 1HB MET 77 -3.685 20.633 -22.177 589 HB3 MET 77 2HB MET 77 -4.342 19.168 -21.460 590 HG2 MET 77 1HG MET 77 -5.904 21.594 -22.314 591 HG3 MET 77 2HG MET 77 -5.841 20.039 -23.140 592 HE1 MET 77 3HE MET 77 -8.120 21.845 -22.269 593 HE2 MET 77 1HE MET 77 -9.048 20.382 -22.602 594 HE3 MET 77 2HE MET 77 -9.210 21.193 -21.044 595 H SER 78 H SER 78 -3.613 19.525 -18.096 596 HA SER 78 HA SER 78 -0.749 19.654 -18.678 597 HB2 SER 78 1HB SER 78 -2.041 20.595 -16.113 598 HB3 SER 78 2HB SER 78 -0.325 20.205 -16.241 599 HG SER 78 HG SER 78 -1.769 22.313 -17.400 600 H VAL 79 H VAL 79 0.309 17.815 -18.208 601 HA VAL 79 HA VAL 79 -1.080 15.810 -16.553 602 HB VAL 79 HB VAL 79 -0.315 14.039 -18.003 603 HG11 VAL 79 1HG1 VAL 79 -2.447 15.084 -18.557 604 HG12 VAL 79 2HG1 VAL 79 -1.619 16.243 -19.599 605 HG13 VAL 79 3HG1 VAL 79 -1.622 14.528 -20.012 606 HG21 VAL 79 3HG2 VAL 79 0.971 16.227 -19.635 607 HG22 VAL 79 1HG2 VAL 79 1.798 14.963 -18.724 608 HG23 VAL 79 2HG2 VAL 79 0.830 14.542 -20.137 609 H SER 80 H SER 80 0.124 14.762 -15.062 610 HA SER 80 HA SER 80 3.042 15.071 -15.143 611 HB2 SER 80 1HB SER 80 1.263 15.668 -12.769 612 HB3 SER 80 2HB SER 80 3.018 15.516 -12.677 613 HG SER 80 HG SER 80 3.157 17.484 -13.369 614 H PHE 81 H PHE 81 3.449 12.955 -15.602 615 HA PHE 81 HA PHE 81 2.273 10.903 -13.873 616 HB2 PHE 81 1HB PHE 81 3.654 10.804 -16.545 617 HB3 PHE 81 2HB PHE 81 3.422 9.350 -15.581 618 HD1 PHE 81 HD2 PHE 81 1.375 12.285 -16.651 619 HD2 PHE 81 HD1 PHE 81 1.626 8.064 -16.164 620 HE1 PHE 81 HE2 PHE 81 -0.897 12.048 -17.565 621 HE2 PHE 81 HE1 PHE 81 -0.646 7.821 -17.078 622 HZ PHE 81 HZ PHE 81 -1.911 9.814 -17.778 623 H SER 82 H SER 82 3.449 9.721 -12.467 624 HA SER 82 HA SER 82 6.348 10.243 -12.360 625 HB2 SER 82 1HB SER 82 4.635 11.088 -10.473 626 HB3 SER 82 2HB SER 82 4.928 9.457 -9.870 627 HG SER 82 HG SER 82 6.406 11.376 -9.295 628 H ASP 83 H ASP 83 7.612 8.519 -12.541 629 HA ASP 83 HA ASP 83 8.337 6.365 -12.629 630 HB2 ASP 83 1HB ASP 83 6.100 5.547 -10.797 631 HB3 ASP 83 2HB ASP 83 7.739 4.907 -10.896 632 H ILE 84 H ILE 84 7.713 6.176 -14.818 633 HA ILE 84 HA ILE 84 5.500 4.296 -15.219 634 HB ILE 84 HB ILE 84 4.945 5.505 -17.368 635 HG12 ILE 84 1HG1 ILE 84 6.407 7.788 -16.026 636 HG13 ILE 84 2HG1 ILE 84 7.034 6.877 -17.395 637 HG21 ILE 84 1HG2 ILE 84 3.643 5.593 -15.197 638 HG22 ILE 84 2HG2 ILE 84 4.401 7.161 -14.920 639 HG23 ILE 84 3HG2 ILE 84 3.367 6.918 -16.328 640 HD11 ILE 84 3HD1 ILE 84 4.864 8.891 -17.284 641 HD12 ILE 84 1HD1 ILE 84 6.137 8.657 -18.482 642 HD13 ILE 84 2HD1 ILE 84 4.733 7.589 -18.467 643 H ASP 85 H ASP 85 5.584 3.706 -17.756 644 HA ASP 85 HA ASP 85 8.275 2.645 -18.143 645 HB2 ASP 85 1HB ASP 85 5.846 2.018 -19.815 646 HB3 ASP 85 2HB ASP 85 7.309 1.057 -19.617 647 H GLU 86 H GLU 86 9.068 2.526 -20.452 648 HA GLU 86 HA GLU 86 9.204 5.187 -21.498 649 HB2 GLU 86 1HB GLU 86 10.702 4.191 -23.197 650 HB3 GLU 86 2HB GLU 86 11.173 3.782 -21.553 651 HG2 GLU 86 1HG GLU 86 10.124 1.588 -21.800 652 HG3 GLU 86 2HG GLU 86 9.665 1.998 -23.451 653 H ASN 87 H ASN 87 7.611 2.196 -22.432 654 HA ASN 87 HA ASN 87 6.708 3.222 -24.963 655 HB2 ASN 87 1HB ASN 87 7.135 0.751 -24.299 656 HB3 ASN 87 2HB ASN 87 5.530 0.827 -23.578 657 HD21 ASN 87 1HD2 ASN 87 6.959 -0.359 -26.106 658 HD22 ASN 87 2HD2 ASN 87 5.778 -0.104 -27.341 659 H MET 88 H MET 88 5.533 3.147 -21.703 660 HA MET 88 HA MET 88 2.792 3.680 -22.366 661 HB2 MET 88 1HB MET 88 3.963 2.706 -20.155 662 HB3 MET 88 2HB MET 88 3.841 4.396 -19.683 663 HG2 MET 88 1HG MET 88 1.506 4.381 -19.806 664 HG3 MET 88 2HG MET 88 1.480 2.884 -20.736 665 HE1 MET 88 3HE MET 88 1.713 4.062 -16.640 666 HE2 MET 88 1HE MET 88 0.632 4.503 -17.962 667 HE3 MET 88 2HE MET 88 0.172 3.225 -16.838 668 H LYS 89 H LYS 89 5.579 5.599 -21.355 669 HA LYS 89 HA LYS 89 4.233 8.049 -21.024 670 HB2 LYS 89 1HB LYS 89 6.440 9.080 -21.165 671 HB3 LYS 89 2HB LYS 89 6.496 7.635 -20.163 672 HG2 LYS 89 1HG LYS 89 7.651 6.413 -21.779 673 HG3 LYS 89 2HG LYS 89 7.225 7.542 -23.067 674 HD2 LYS 89 1HD LYS 89 9.532 7.877 -22.503 675 HD3 LYS 89 2HD LYS 89 8.613 9.267 -21.920 676 HE2 LYS 89 1HE LYS 89 9.629 8.918 -19.962 677 HE3 LYS 89 2HE LYS 89 8.543 7.541 -19.782 678 HZ1 LYS 89 3HZ LYS 89 10.237 6.140 -19.955 679 HZ2 LYS 89 1HZ LYS 89 11.282 7.466 -19.841 680 HZ3 LYS 89 2HZ LYS 89 10.820 6.881 -21.360 681 H LYS 90 H LYS 90 5.300 6.341 -23.839 682 HA LYS 90 HA LYS 90 5.349 8.548 -25.632 683 HB2 LYS 90 1HB LYS 90 6.486 6.381 -26.064 684 HB3 LYS 90 2HB LYS 90 4.911 5.620 -26.250 685 HG2 LYS 90 1HG LYS 90 5.647 6.022 -28.428 686 HG3 LYS 90 2HG LYS 90 4.489 7.314 -28.101 687 HD2 LYS 90 1HD LYS 90 6.274 8.433 -29.092 688 HD3 LYS 90 2HD LYS 90 6.555 8.675 -27.367 689 HE2 LYS 90 1HE LYS 90 8.150 6.820 -27.369 690 HE3 LYS 90 2HE LYS 90 7.861 6.569 -29.089 691 HZ1 LYS 90 3HZ LYS 90 9.783 7.838 -29.025 692 HZ2 LYS 90 1HZ LYS 90 9.232 8.819 -27.761 693 HZ3 LYS 90 2HZ LYS 90 8.585 8.997 -29.313 694 H VAL 91 H VAL 91 2.960 5.939 -25.163 695 HA VAL 91 HA VAL 91 1.015 7.032 -26.882 696 HB VAL 91 HB VAL 91 0.918 4.699 -26.238 697 HG11 VAL 91 1HG1 VAL 91 0.249 5.652 -23.456 698 HG12 VAL 91 2HG1 VAL 91 0.351 3.977 -24.002 699 HG13 VAL 91 3HG1 VAL 91 1.802 4.979 -23.950 700 HG21 VAL 91 3HG2 VAL 91 -1.371 4.520 -26.147 701 HG22 VAL 91 1HG2 VAL 91 -1.533 5.818 -24.963 702 HG23 VAL 91 2HG2 VAL 91 -1.197 6.201 -26.651 703 H ILE 92 H ILE 92 1.604 7.412 -23.426 704 HA ILE 92 HA ILE 92 -0.775 8.841 -22.850 705 HB ILE 92 HB ILE 92 1.872 8.795 -21.399 706 HG12 ILE 92 1HG1 ILE 92 -0.713 7.460 -20.608 707 HG13 ILE 92 2HG1 ILE 92 0.474 6.660 -21.632 708 HG21 ILE 92 1HG2 ILE 92 0.713 10.825 -20.827 709 HG22 ILE 92 2HG2 ILE 92 -0.785 9.937 -20.552 710 HG23 ILE 92 3HG2 ILE 92 0.593 9.695 -19.478 711 HD11 ILE 92 3HD1 ILE 92 0.559 6.129 -19.169 712 HD12 ILE 92 1HD1 ILE 92 2.078 6.628 -19.914 713 HD13 ILE 92 2HD1 ILE 92 1.160 7.770 -18.932 714 H LYS 93 H LYS 93 2.518 9.859 -23.667 715 HA LYS 93 HA LYS 93 2.082 12.633 -23.358 716 HB2 LYS 93 1HB LYS 93 4.328 11.728 -23.397 717 HB3 LYS 93 2HB LYS 93 4.095 11.122 -25.032 718 HG2 LYS 93 1HG LYS 93 3.910 13.411 -25.859 719 HG3 LYS 93 2HG LYS 93 4.137 14.023 -24.219 720 HD2 LYS 93 1HD LYS 93 6.156 12.200 -25.482 721 HD3 LYS 93 2HD LYS 93 6.173 13.936 -25.803 722 HE2 LYS 93 1HE LYS 93 6.505 14.439 -23.502 723 HE3 LYS 93 2HE LYS 93 6.184 12.772 -23.026 724 HZ1 LYS 93 3HZ LYS 93 8.631 13.966 -23.845 725 HZ2 LYS 93 1HZ LYS 93 8.264 12.628 -24.813 726 HZ3 LYS 93 2HZ LYS 93 8.362 12.455 -23.134 727 H ALA 94 H ALA 94 1.735 10.445 -26.103 728 HA ALA 94 HA ALA 94 1.234 12.455 -28.042 729 HB1 ALA 94 3HB ALA 94 1.474 9.635 -28.001 730 HB2 ALA 94 1HB ALA 94 -0.061 10.031 -28.774 731 HB3 ALA 94 2HB ALA 94 1.442 10.713 -29.396 732 H THR 95 H THR 95 -0.918 10.345 -26.154 733 HA THR 95 HA THR 95 -3.340 11.268 -27.225 734 HB THR 95 HB THR 95 -2.794 10.146 -24.469 735 HG1 THR 95 HG1 THR 95 -3.986 8.740 -26.603 736 HG21 THR 95 3HG2 THR 95 -4.924 11.352 -24.546 737 HG22 THR 95 1HG2 THR 95 -5.184 9.613 -24.419 738 HG23 THR 95 2HG2 THR 95 -5.402 10.426 -25.969 739 H ALA 96 H ALA 96 -1.443 12.383 -24.452 740 HA ALA 96 HA ALA 96 -3.329 14.323 -23.584 741 HB1 ALA 96 3HB ALA 96 -0.432 13.827 -23.011 742 HB2 ALA 96 1HB ALA 96 -1.240 15.273 -22.404 743 HB3 ALA 96 2HB ALA 96 -1.824 13.674 -21.939 744 H GLU 97 H GLU 97 -0.520 14.428 -25.723 745 HA GLU 97 HA GLU 97 -0.501 17.243 -26.063 746 HB2 GLU 97 1HB GLU 97 0.769 14.918 -27.417 747 HB3 GLU 97 2HB GLU 97 0.707 16.436 -28.302 748 HG2 GLU 97 1HG GLU 97 1.813 16.219 -25.519 749 HG3 GLU 97 2HG GLU 97 2.797 16.000 -26.965 750 H LYS 98 H LYS 98 -2.218 14.631 -27.618 751 HA LYS 98 HA LYS 98 -3.034 15.834 -29.977 752 HB2 LYS 98 1HB LYS 98 -3.533 13.451 -28.781 753 HB3 LYS 98 2HB LYS 98 -5.091 14.241 -28.576 754 HG2 LYS 98 1HG LYS 98 -5.094 12.933 -30.597 755 HG3 LYS 98 2HG LYS 98 -5.181 14.649 -30.999 756 HD2 LYS 98 1HD LYS 98 -2.947 14.707 -31.717 757 HD3 LYS 98 2HD LYS 98 -2.563 13.178 -30.922 758 HE2 LYS 98 1HE LYS 98 -4.048 12.014 -32.508 759 HE3 LYS 98 2HE LYS 98 -4.357 13.548 -33.320 760 HZ1 LYS 98 3HZ LYS 98 -2.316 13.563 -34.270 761 HZ2 LYS 98 1HZ LYS 98 -2.488 11.887 -34.121 762 HZ3 LYS 98 2HZ LYS 98 -1.570 12.746 -32.990 763 H PHE 99 H PHE 99 -4.049 16.440 -26.717 764 HA PHE 99 HA PHE 99 -6.538 17.611 -27.117 765 HB2 PHE 99 1HB PHE 99 -4.385 17.977 -25.066 766 HB3 PHE 99 2HB PHE 99 -5.780 19.050 -25.057 767 HD1 PHE 99 HD1 PHE 99 -5.008 15.406 -25.248 768 HD2 PHE 99 HD2 PHE 99 -7.581 18.456 -23.769 769 HE1 PHE 99 HE1 PHE 99 -6.293 13.714 -24.006 770 HE2 PHE 99 HE2 PHE 99 -8.870 16.770 -22.524 771 HZ PHE 99 HZ PHE 99 -8.226 14.396 -22.641 772 H LYS 100 H LYS 100 -3.394 18.758 -27.933 773 HA LYS 100 HA LYS 100 -3.655 21.495 -27.937 774 HB2 LYS 100 1HB LYS 100 -1.670 19.990 -28.659 775 HB3 LYS 100 2HB LYS 100 -2.389 20.073 -30.262 776 HG2 LYS 100 1HG LYS 100 -2.243 22.536 -30.161 777 HG3 LYS 100 2HG LYS 100 -1.427 22.394 -28.602 778 HD2 LYS 100 1HD LYS 100 0.158 20.787 -29.972 779 HD3 LYS 100 2HD LYS 100 -0.446 21.732 -31.335 780 HE2 LYS 100 1HE LYS 100 0.186 23.793 -29.996 781 HE3 LYS 100 2HE LYS 100 1.049 22.703 -28.911 782 HZ1 LYS 100 3HZ LYS 100 2.398 21.968 -30.766 783 HZ2 LYS 100 1HZ LYS 100 2.509 23.648 -30.596 784 HZ3 LYS 100 2HZ LYS 100 1.556 22.984 -31.825 785 H ASN 101 H ASN 101 -5.106 19.166 -30.095 786 HA ASN 101 HA ASN 101 -5.825 20.775 -32.234 787 HB2 ASN 101 1HB ASN 101 -7.064 18.346 -30.983 788 HB3 ASN 101 2HB ASN 101 -7.891 19.172 -32.301 789 HD21 ASN 101 1HD2 ASN 101 -5.732 16.794 -31.541 790 HD22 ASN 101 2HD2 ASN 101 -4.960 16.615 -33.076 791 H LYS 102 H LYS 102 -7.361 20.400 -29.087 792 HA LYS 102 HA LYS 102 -9.080 22.702 -29.735 793 HB2 LYS 102 1HB LYS 102 -10.225 20.387 -29.569 794 HB3 LYS 102 2HB LYS 102 -9.941 20.533 -27.839 795 HG2 LYS 102 1HG LYS 102 -11.244 22.582 -27.778 796 HG3 LYS 102 2HG LYS 102 -11.493 22.490 -29.523 797 HD2 LYS 102 1HD LYS 102 -12.493 20.160 -29.024 798 HD3 LYS 102 2HD LYS 102 -12.605 20.736 -27.359 799 HE2 LYS 102 1HE LYS 102 -13.679 22.400 -29.600 800 HE3 LYS 102 2HE LYS 102 -14.620 21.045 -28.980 801 HZ1 LYS 102 3HZ LYS 102 -13.577 22.726 -26.904 802 HZ2 LYS 102 1HZ LYS 102 -15.157 22.177 -27.156 803 HZ3 LYS 102 2HZ LYS 102 -14.604 23.559 -27.959 804 H GLY 103 H GLY 103 -6.444 22.462 -28.373 805 HA2 GLY 103 1HA GLY 103 -6.880 24.322 -26.309 806 HA3 GLY 103 2HA GLY 103 -6.701 22.728 -25.591 807 H PHE 104 H PHE 104 -5.114 25.180 -27.553 808 HA PHE 104 HA PHE 104 -2.658 24.015 -27.990 809 HB2 PHE 104 1HB PHE 104 -1.745 26.266 -28.137 810 HB3 PHE 104 2HB PHE 104 -3.343 26.223 -28.875 811 HD1 PHE 104 HD1 PHE 104 -5.272 27.218 -27.699 812 HD2 PHE 104 HD2 PHE 104 -1.294 27.609 -26.237 813 HE1 PHE 104 HE1 PHE 104 -5.988 29.081 -26.260 814 HE2 PHE 104 HE2 PHE 104 -2.003 29.472 -24.795 815 HZ PHE 104 HZ PHE 104 -4.353 30.210 -24.804 816 H LYS 105 H LYS 105 -3.968 25.312 -25.031 817 HA LYS 105 HA LYS 105 -1.518 25.455 -23.594 818 HB2 LYS 105 1HB LYS 105 -3.895 26.487 -23.098 819 HB3 LYS 105 2HB LYS 105 -4.127 24.985 -22.212 820 HG2 LYS 105 1HG LYS 105 -1.765 26.776 -21.741 821 HG3 LYS 105 2HG LYS 105 -3.299 26.980 -20.892 822 HD2 LYS 105 1HD LYS 105 -3.134 24.710 -20.021 823 HD3 LYS 105 2HD LYS 105 -1.626 24.467 -20.906 824 HE2 LYS 105 1HE LYS 105 -0.441 25.914 -19.530 825 HE3 LYS 105 2HE LYS 105 -1.899 26.733 -18.970 826 HZ1 LYS 105 3HZ LYS 105 -0.916 25.277 -17.278 827 HZ2 LYS 105 1HZ LYS 105 -1.158 23.940 -18.286 828 HZ3 LYS 105 2HZ LYS 105 -2.486 24.800 -17.689 829 H VAL 106 H VAL 106 -0.516 23.436 -24.081 830 HA VAL 106 HA VAL 106 -1.578 21.210 -22.468 831 HB VAL 106 HB VAL 106 -0.087 20.945 -25.083 832 HG11 VAL 106 1HG1 VAL 106 -1.220 18.526 -24.562 833 HG12 VAL 106 2HG1 VAL 106 0.453 18.954 -24.197 834 HG13 VAL 106 3HG1 VAL 106 -0.781 19.066 -22.942 835 HG21 VAL 106 3HG2 VAL 106 -2.693 19.778 -25.110 836 HG22 VAL 106 1HG2 VAL 106 -2.821 21.463 -24.606 837 HG23 VAL 106 2HG2 VAL 106 -2.041 21.057 -26.134 838 H GLU 107 H GLU 107 -0.240 20.490 -20.947 839 HA GLU 107 HA GLU 107 2.650 20.899 -21.283 840 HB2 GLU 107 1HB GLU 107 0.910 21.790 -19.021 841 HB3 GLU 107 2HB GLU 107 2.557 21.280 -18.676 842 HG2 GLU 107 1HG GLU 107 3.365 22.943 -20.324 843 HG3 GLU 107 2HG GLU 107 1.704 23.503 -20.514 844 H THR 108 H THR 108 3.973 19.355 -20.326 845 HA THR 108 HA THR 108 2.663 17.101 -18.983 846 HB THR 108 HB THR 108 3.732 15.452 -20.342 847 HG1 THR 108 HG1 THR 108 5.102 17.675 -21.443 848 HG21 THR 108 3HG2 THR 108 2.929 17.147 -22.595 849 HG22 THR 108 1HG2 THR 108 1.751 17.083 -21.284 850 HG23 THR 108 2HG2 THR 108 2.288 15.593 -22.061 851 H ASP 109 H ASP 109 3.949 15.977 -17.536 852 HA ASP 109 HA ASP 109 6.576 17.195 -16.988 853 HB2 ASP 109 1HB ASP 109 4.636 17.416 -15.282 854 HB3 ASP 109 2HB ASP 109 4.955 15.720 -14.930 855 H MET 110 H MET 110 8.312 15.932 -17.122 856 HA MET 110 HA MET 110 7.978 13.126 -17.740 857 HB2 MET 110 1HB MET 110 9.654 14.824 -18.794 858 HB3 MET 110 2HB MET 110 10.638 14.463 -17.382 859 HG2 MET 110 1HG MET 110 9.563 12.257 -19.086 860 HG3 MET 110 2HG MET 110 11.012 13.139 -19.562 861 HE1 MET 110 3HE MET 110 13.696 12.273 -17.975 862 HE2 MET 110 1HE MET 110 12.725 13.746 -17.965 863 HE3 MET 110 2HE MET 110 13.116 12.939 -16.447 Start of MODEL 13 1 H MET 1 H MET 1 -0.182 0.184 1.511 2 HA MET 1 HA MET 1 1.473 2.070 0.138 3 HB2 MET 1 1HB MET 1 2.488 0.081 -0.905 4 HB3 MET 1 2HB MET 1 2.380 -0.073 0.843 5 HG2 MET 1 1HG MET 1 0.427 -1.497 0.617 6 HG3 MET 1 2HG MET 1 0.478 -1.309 -1.134 7 HE1 MET 1 3HE MET 1 1.442 -4.954 0.186 8 HE2 MET 1 1HE MET 1 1.706 -3.981 1.633 9 HE3 MET 1 2HE MET 1 0.264 -3.726 0.651 10 H THR 2 H THR 2 -1.226 2.507 -0.492 11 HA THR 2 HA THR 2 -1.555 1.482 -3.214 12 HB THR 2 HB THR 2 -3.555 3.294 -1.926 13 HG1 THR 2 HG1 THR 2 -3.191 1.788 -0.302 14 HG21 THR 2 3HG2 THR 2 -3.454 1.913 -4.302 15 HG22 THR 2 1HG2 THR 2 -4.916 2.538 -3.540 16 HG23 THR 2 2HG2 THR 2 -4.434 0.862 -3.281 17 H LEU 3 H LEU 3 -0.992 2.659 -4.917 18 HA LEU 3 HA LEU 3 -0.351 5.486 -4.538 19 HB2 LEU 3 1HB LEU 3 0.466 3.369 -6.441 20 HB3 LEU 3 2HB LEU 3 0.419 5.021 -7.053 21 HG LEU 3 HG LEU 3 2.662 4.262 -6.270 22 HD11 LEU 3 1HD1 LEU 3 2.418 6.574 -6.410 23 HD12 LEU 3 2HD1 LEU 3 3.003 6.313 -4.767 24 HD13 LEU 3 3HD1 LEU 3 1.293 6.634 -5.053 25 HD21 LEU 3 3HD2 LEU 3 3.126 3.911 -3.991 26 HD22 LEU 3 1HD2 LEU 3 1.679 2.958 -4.322 27 HD23 LEU 3 2HD2 LEU 3 1.543 4.508 -3.491 28 H CYS 4 H CYS 4 -2.038 6.799 -4.823 29 HA CYS 4 HA CYS 4 -3.846 6.276 -7.088 30 HB2 CYS 4 1HB CYS 4 -5.514 7.632 -5.868 31 HB3 CYS 4 2HB CYS 4 -5.005 6.221 -4.949 32 HG CYS 4 HG CYS 4 -5.334 8.274 -3.130 33 H ALA 5 H ALA 5 -4.501 8.021 -8.400 34 HA ALA 5 HA ALA 5 -2.706 10.356 -8.274 35 HB1 ALA 5 3HB ALA 5 -3.272 8.521 -10.420 36 HB2 ALA 5 1HB ALA 5 -3.674 10.175 -10.884 37 HB3 ALA 5 2HB ALA 5 -2.049 9.787 -10.318 38 H MET 6 H MET 6 -3.555 12.392 -8.652 39 HA MET 6 HA MET 6 -6.463 12.576 -8.364 40 HB2 MET 6 1HB MET 6 -4.165 14.289 -7.600 41 HB3 MET 6 2HB MET 6 -5.648 15.119 -8.052 42 HG2 MET 6 1HG MET 6 -5.551 14.788 -5.661 43 HG3 MET 6 2HG MET 6 -6.873 13.856 -6.361 44 HE1 MET 6 3HE MET 6 -6.627 11.479 -3.942 45 HE2 MET 6 1HE MET 6 -7.500 12.267 -5.257 46 HE3 MET 6 2HE MET 6 -6.750 10.692 -5.516 47 H TYR 7 H TYR 7 -7.740 13.311 -9.942 48 HA TYR 7 HA TYR 7 -6.476 14.643 -12.247 49 HB2 TYR 7 1HB TYR 7 -7.404 12.155 -12.434 50 HB3 TYR 7 2HB TYR 7 -8.930 13.003 -12.659 51 HD1 TYR 7 HD1 TYR 7 -8.963 14.851 -14.481 52 HD2 TYR 7 HD2 TYR 7 -5.996 11.810 -14.252 53 HE1 TYR 7 HE1 TYR 7 -8.417 15.214 -16.852 54 HE2 TYR 7 HE2 TYR 7 -5.441 12.165 -16.622 55 HH TYR 7 HH TYR 7 -7.099 14.650 -18.545 56 H ASN 8 H ASN 8 -7.082 16.710 -12.078 57 HA ASN 8 HA ASN 8 -9.782 17.370 -11.185 58 HB2 ASN 8 1HB ASN 8 -7.647 19.363 -11.914 59 HB3 ASN 8 2HB ASN 8 -9.008 19.565 -10.816 60 HD21 ASN 8 1HD2 ASN 8 -5.745 18.888 -11.072 61 HD22 ASN 8 2HD2 ASN 8 -5.467 18.331 -9.460 62 H ILE 9 H ILE 9 -11.183 17.057 -12.836 63 HA ILE 9 HA ILE 9 -10.567 18.345 -15.412 64 HB ILE 9 HB ILE 9 -10.944 15.942 -15.612 65 HG12 ILE 9 1HG1 ILE 9 -13.243 17.581 -16.702 66 HG13 ILE 9 2HG1 ILE 9 -11.658 17.408 -17.448 67 HG21 ILE 9 1HG2 ILE 9 -13.017 14.895 -15.019 68 HG22 ILE 9 2HG2 ILE 9 -12.398 15.745 -13.604 69 HG23 ILE 9 3HG2 ILE 9 -13.716 16.443 -14.545 70 HD11 ILE 9 3HD1 ILE 9 -12.717 14.815 -16.993 71 HD12 ILE 9 1HD1 ILE 9 -13.949 15.796 -17.786 72 HD13 ILE 9 2HD1 ILE 9 -12.357 15.613 -18.524 73 H SER 10 H SER 10 -11.736 20.044 -16.024 74 HA SER 10 HA SER 10 -14.382 20.462 -14.818 75 HB2 SER 10 1HB SER 10 -13.908 22.831 -14.482 76 HB3 SER 10 2HB SER 10 -12.720 21.858 -13.615 77 HG SER 10 HG SER 10 -11.633 23.461 -14.718 78 H MET 11 H MET 11 -15.501 19.960 -16.658 79 HA MET 11 HA MET 11 -14.807 20.782 -19.260 80 HB2 MET 11 1HB MET 11 -16.560 19.009 -18.339 81 HB3 MET 11 2HB MET 11 -17.671 20.355 -18.553 82 HG2 MET 11 1HG MET 11 -17.413 20.383 -20.842 83 HG3 MET 11 2HG MET 11 -15.847 19.577 -20.779 84 HE1 MET 11 3HE MET 11 -19.848 18.546 -21.397 85 HE2 MET 11 1HE MET 11 -18.629 19.464 -22.281 86 HE3 MET 11 2HE MET 11 -18.904 17.765 -22.667 87 H ALA 12 H ALA 12 -16.480 22.122 -20.593 88 HA ALA 12 HA ALA 12 -16.237 24.790 -19.887 89 HB1 ALA 12 3HB ALA 12 -18.578 24.358 -21.526 90 HB2 ALA 12 1HB ALA 12 -17.043 25.127 -21.932 91 HB3 ALA 12 2HB ALA 12 -17.217 23.377 -22.069 92 H GLY 13 H GLY 13 -16.960 25.489 -17.944 93 HA2 GLY 13 1HA GLY 13 -18.442 26.155 -16.323 94 HA3 GLY 13 2HA GLY 13 -19.673 26.084 -17.575 95 H SER 14 H SER 14 -17.701 23.667 -15.845 96 HA SER 14 HA SER 14 -20.196 22.355 -15.012 97 HB2 SER 14 1HB SER 14 -19.523 20.246 -15.740 98 HB3 SER 14 2HB SER 14 -18.946 21.285 -17.043 99 HG SER 14 HG SER 14 -16.885 21.245 -16.055 100 H HIS 15 H HIS 15 -17.773 23.994 -13.882 101 HA HIS 15 HA HIS 15 -16.705 24.156 -11.880 102 HB2 HIS 15 1HB HIS 15 -19.022 22.439 -11.340 103 HB3 HIS 15 2HB HIS 15 -17.695 22.217 -10.204 104 HD1 HIS 15 HD1 HIS 15 -17.793 23.726 -8.258 105 HD2 HIS 15 HD2 HIS 15 -19.655 25.384 -11.581 106 HE1 HIS 15 HE1 HIS 15 -18.728 25.926 -7.477 107 HA PRO 16 HA PRO 16 -13.407 21.265 -11.834 108 HB2 PRO 16 1HB PRO 16 -12.581 21.356 -9.250 109 HB3 PRO 16 2HB PRO 16 -12.312 22.678 -10.392 110 HG2 PRO 16 1HG PRO 16 -14.427 22.389 -8.293 111 HG3 PRO 16 2HG PRO 16 -13.462 23.814 -8.720 112 HD2 PRO 16 1HD PRO 16 -16.012 23.473 -9.567 113 HD3 PRO 16 2HD PRO 16 -14.790 24.326 -10.534 114 H THR 17 H THR 17 -13.399 19.113 -11.883 115 HA THR 17 HA THR 17 -14.951 17.653 -9.845 116 HB THR 17 HB THR 17 -14.386 16.851 -12.706 117 HG1 THR 17 HG1 THR 17 -16.083 18.482 -12.202 118 HG21 THR 17 3HG2 THR 17 -16.315 15.157 -11.765 119 HG22 THR 17 1HG2 THR 17 -15.265 15.328 -10.359 120 HG23 THR 17 2HG2 THR 17 -14.600 14.764 -11.893 121 H THR 18 H THR 18 -13.688 16.658 -8.428 122 HA THR 18 HA THR 18 -10.944 15.996 -9.085 123 HB THR 18 HB THR 18 -12.170 15.197 -6.485 124 HG1 THR 18 HG1 THR 18 -11.654 17.869 -7.320 125 HG21 THR 18 3HG2 THR 18 -9.520 16.355 -7.344 126 HG22 THR 18 1HG2 THR 18 -9.843 14.708 -6.803 127 HG23 THR 18 2HG2 THR 18 -9.964 16.050 -5.665 128 H ILE 19 H ILE 19 -10.656 14.196 -10.248 129 HA ILE 19 HA ILE 19 -12.196 11.796 -9.512 130 HB ILE 19 HB ILE 19 -10.701 12.206 -12.097 131 HG12 ILE 19 1HG1 ILE 19 -13.628 12.712 -11.518 132 HG13 ILE 19 2HG1 ILE 19 -12.425 13.941 -11.889 133 HG21 ILE 19 1HG2 ILE 19 -11.568 10.227 -12.782 134 HG22 ILE 19 2HG2 ILE 19 -11.569 9.911 -11.048 135 HG23 ILE 19 3HG2 ILE 19 -13.052 10.428 -11.850 136 HD11 ILE 19 3HD1 ILE 19 -12.123 12.949 -14.109 137 HD12 ILE 19 1HD1 ILE 19 -13.369 11.760 -13.733 138 HD13 ILE 19 2HD1 ILE 19 -13.783 13.472 -13.827 139 H CYS 20 H CYS 20 -11.121 10.330 -8.382 140 HA CYS 20 HA CYS 20 -8.199 10.324 -8.439 141 HB2 CYS 20 1HB CYS 20 -8.385 8.863 -6.451 142 HB3 CYS 20 2HB CYS 20 -9.231 10.391 -6.238 143 HG CYS 20 HG CYS 20 -10.668 8.265 -5.040 144 H VAL 21 H VAL 21 -7.032 8.775 -9.387 145 HA VAL 21 HA VAL 21 -8.292 6.214 -10.040 146 HB VAL 21 HB VAL 21 -6.713 7.767 -12.089 147 HG11 VAL 21 1HG1 VAL 21 -7.712 6.062 -13.626 148 HG12 VAL 21 2HG1 VAL 21 -6.566 5.412 -12.452 149 HG13 VAL 21 3HG1 VAL 21 -8.300 5.209 -12.200 150 HG21 VAL 21 3HG2 VAL 21 -9.613 7.749 -11.466 151 HG22 VAL 21 1HG2 VAL 21 -8.602 9.035 -12.125 152 HG23 VAL 21 2HG2 VAL 21 -9.145 7.719 -13.166 153 H VAL 22 H VAL 22 -6.966 4.503 -9.811 154 HA VAL 22 HA VAL 22 -4.557 4.698 -8.439 155 HB VAL 22 HB VAL 22 -5.334 2.404 -10.241 156 HG11 VAL 22 1HG1 VAL 22 -4.159 1.404 -7.965 157 HG12 VAL 22 2HG1 VAL 22 -3.368 1.616 -9.528 158 HG13 VAL 22 3HG1 VAL 22 -3.222 2.862 -8.288 159 HG21 VAL 22 3HG2 VAL 22 -7.236 2.657 -8.931 160 HG22 VAL 22 1HG2 VAL 22 -6.273 1.505 -8.005 161 HG23 VAL 22 2HG2 VAL 22 -6.318 3.202 -7.527 162 H MET 23 H MET 23 -2.394 4.453 -9.042 163 HA MET 23 HA MET 23 -1.521 5.834 -11.272 164 HB2 MET 23 1HB MET 23 0.677 5.059 -10.760 165 HB3 MET 23 2HB MET 23 -0.171 5.250 -9.232 166 HG2 MET 23 1HG MET 23 -0.538 2.870 -9.092 167 HG3 MET 23 2HG MET 23 0.194 2.638 -10.678 168 HE1 MET 23 3HE MET 23 2.928 1.070 -9.681 169 HE2 MET 23 1HE MET 23 1.991 1.778 -10.997 170 HE3 MET 23 2HE MET 23 3.546 2.478 -10.545 171 H ASP 24 H ASP 24 -2.275 2.432 -10.917 172 HA ASP 24 HA ASP 24 -1.151 1.657 -13.439 173 HB2 ASP 24 1HB ASP 24 -1.499 0.135 -11.437 174 HB3 ASP 24 2HB ASP 24 -3.213 0.139 -11.840 175 H ARG 25 H ARG 25 -4.244 2.794 -12.309 176 HA ARG 25 HA ARG 25 -5.494 2.204 -14.887 177 HB2 ARG 25 1HB ARG 25 -6.586 3.133 -12.236 178 HB3 ARG 25 2HB ARG 25 -7.559 3.130 -13.702 179 HG2 ARG 25 1HG ARG 25 -6.155 0.630 -12.901 180 HG3 ARG 25 2HG ARG 25 -7.618 1.112 -12.040 181 HD2 ARG 25 1HD ARG 25 -8.766 1.291 -14.251 182 HD3 ARG 25 2HD ARG 25 -7.320 0.612 -14.997 183 HE ARG 25 HE ARG 25 -7.944 -1.456 -14.239 184 HH11 ARG 25 1HH1 ARG 25 -9.772 0.978 -12.551 185 HH12 ARG 25 2HH1 ARG 25 -10.822 -0.161 -11.777 186 HH21 ARG 25 1HH2 ARG 25 -9.321 -2.967 -13.226 187 HH22 ARG 25 2HH2 ARG 25 -10.565 -2.405 -12.161 188 H PHE 26 H PHE 26 -3.507 4.473 -13.933 189 HA PHE 26 HA PHE 26 -4.868 6.911 -14.388 190 HB2 PHE 26 1HB PHE 26 -2.749 6.875 -13.202 191 HB3 PHE 26 2HB PHE 26 -1.932 6.225 -14.619 192 HD1 PHE 26 HD1 PHE 26 -1.559 7.640 -16.592 193 HD2 PHE 26 HD2 PHE 26 -3.239 9.196 -13.004 194 HE1 PHE 26 HE1 PHE 26 -1.067 9.926 -17.357 195 HE2 PHE 26 HE2 PHE 26 -2.750 11.484 -13.764 196 HZ PHE 26 HZ PHE 26 -1.664 11.852 -15.943 197 H LEU 27 H LEU 27 -2.634 5.086 -16.485 198 HA LEU 27 HA LEU 27 -2.895 6.658 -18.760 199 HB2 LEU 27 1HB LEU 27 -1.193 4.932 -18.498 200 HB3 LEU 27 2HB LEU 27 -2.435 3.684 -18.577 201 HG LEU 27 HG LEU 27 -2.810 4.069 -20.881 202 HD11 LEU 27 1HD1 LEU 27 -2.828 6.226 -21.485 203 HD12 LEU 27 2HD1 LEU 27 -1.118 5.972 -21.831 204 HD13 LEU 27 3HD1 LEU 27 -1.611 6.677 -20.292 205 HD21 LEU 27 3HD2 LEU 27 -0.779 2.791 -20.323 206 HD22 LEU 27 1HD2 LEU 27 0.162 4.279 -20.416 207 HD23 LEU 27 2HD2 LEU 27 -0.637 3.650 -21.857 208 H GLU 28 H GLU 28 -4.833 3.895 -17.690 209 HA GLU 28 HA GLU 28 -6.448 3.687 -19.983 210 HB2 GLU 28 1HB GLU 28 -7.187 2.998 -17.134 211 HB3 GLU 28 2HB GLU 28 -7.970 2.394 -18.588 212 HG2 GLU 28 1HG GLU 28 -5.073 1.909 -17.955 213 HG3 GLU 28 2HG GLU 28 -6.371 0.819 -17.471 214 H SER 29 H SER 29 -7.000 5.378 -16.902 215 HA SER 29 HA SER 29 -9.526 6.394 -17.427 216 HB2 SER 29 1HB SER 29 -8.904 6.771 -15.243 217 HB3 SER 29 2HB SER 29 -7.258 7.232 -15.678 218 HG SER 29 HG SER 29 -9.620 8.772 -15.795 219 H PHE 30 H PHE 30 -6.358 7.813 -18.170 220 HA PHE 30 HA PHE 30 -7.341 10.198 -19.306 221 HB2 PHE 30 1HB PHE 30 -4.977 9.785 -18.554 222 HB3 PHE 30 2HB PHE 30 -4.749 8.807 -20.000 223 HD1 PHE 30 HD2 PHE 30 -6.524 12.045 -19.546 224 HD2 PHE 30 HD1 PHE 30 -3.262 9.972 -21.329 225 HE1 PHE 30 HE2 PHE 30 -5.938 14.068 -20.817 226 HE2 PHE 30 HE1 PHE 30 -2.670 11.992 -22.602 227 HZ PHE 30 HZ PHE 30 -4.009 14.044 -22.348 228 H SER 31 H SER 31 -6.490 7.070 -20.723 229 HA SER 31 HA SER 31 -6.736 7.715 -23.414 230 HB2 SER 31 1HB SER 31 -5.894 5.594 -23.159 231 HB3 SER 31 2HB SER 31 -6.980 5.208 -21.824 232 HG SER 31 HG SER 31 -7.416 4.117 -23.873 233 H GLU 32 H GLU 32 -9.230 6.448 -21.210 234 HA GLU 32 HA GLU 32 -11.318 6.621 -23.139 235 HB2 GLU 32 1HB GLU 32 -11.155 5.202 -20.950 236 HB3 GLU 32 2HB GLU 32 -11.824 6.637 -20.185 237 HG2 GLU 32 1HG GLU 32 -13.708 5.403 -20.633 238 HG3 GLU 32 2HG GLU 32 -13.633 6.478 -22.028 239 H LEU 33 H LEU 33 -10.179 8.717 -20.542 240 HA LEU 33 HA LEU 33 -12.244 10.560 -20.452 241 HB2 LEU 33 1HB LEU 33 -10.417 10.568 -18.865 242 HB3 LEU 33 2HB LEU 33 -9.281 11.012 -20.137 243 HG LEU 33 HG LEU 33 -11.110 13.058 -20.230 244 HD11 LEU 33 1HD1 LEU 33 -11.023 13.720 -17.700 245 HD12 LEU 33 2HD1 LEU 33 -10.954 11.975 -17.458 246 HD13 LEU 33 3HD1 LEU 33 -12.318 12.693 -18.315 247 HD21 LEU 33 3HD2 LEU 33 -9.309 14.292 -18.904 248 HD22 LEU 33 1HD2 LEU 33 -8.818 13.507 -20.406 249 HD23 LEU 33 2HD2 LEU 33 -8.459 12.746 -18.855 250 H TYR 34 H TYR 34 -9.496 10.383 -22.665 251 HA TYR 34 HA TYR 34 -10.000 12.841 -23.980 252 HB2 TYR 34 1HB TYR 34 -7.822 11.932 -24.208 253 HB3 TYR 34 2HB TYR 34 -8.443 10.377 -24.752 254 HD1 TYR 34 HD1 TYR 34 -8.341 13.970 -25.756 255 HD2 TYR 34 HD2 TYR 34 -8.506 9.912 -27.025 256 HE1 TYR 34 HE1 TYR 34 -8.093 14.696 -28.093 257 HE2 TYR 34 HE2 TYR 34 -8.257 10.627 -29.365 258 HH TYR 34 HH TYR 34 -8.298 12.398 -30.763 259 H ASP 35 H ASP 35 -11.460 9.745 -24.169 260 HA ASP 35 HA ASP 35 -12.553 10.135 -26.822 261 HB2 ASP 35 1HB ASP 35 -12.321 7.940 -24.935 262 HB3 ASP 35 2HB ASP 35 -13.947 8.044 -25.605 263 H ILE 36 H ILE 36 -13.519 10.600 -23.509 264 HA ILE 36 HA ILE 36 -16.292 11.099 -24.251 265 HB ILE 36 HB ILE 36 -16.035 9.902 -22.203 266 HG12 ILE 36 1HG1 ILE 36 -16.676 12.786 -21.544 267 HG13 ILE 36 2HG1 ILE 36 -17.801 11.636 -22.258 268 HG21 ILE 36 1HG2 ILE 36 -14.806 10.928 -20.270 269 HG22 ILE 36 2HG2 ILE 36 -13.787 10.400 -21.609 270 HG23 ILE 36 3HG2 ILE 36 -14.154 12.112 -21.403 271 HD11 ILE 36 3HD1 ILE 36 -17.567 10.232 -20.234 272 HD12 ILE 36 1HD1 ILE 36 -16.568 11.497 -19.520 273 HD13 ILE 36 2HD1 ILE 36 -18.254 11.825 -19.920 274 H ILE 37 H ILE 37 -13.405 12.832 -23.298 275 HA ILE 37 HA ILE 37 -14.541 15.316 -22.681 276 HB ILE 37 HB ILE 37 -12.140 14.621 -22.309 277 HG12 ILE 37 1HG1 ILE 37 -11.425 17.083 -23.303 278 HG13 ILE 37 2HG1 ILE 37 -13.174 17.228 -23.171 279 HG21 ILE 37 1HG2 ILE 37 -10.541 15.020 -24.091 280 HG22 ILE 37 2HG2 ILE 37 -11.714 13.799 -24.581 281 HG23 ILE 37 3HG2 ILE 37 -11.849 15.447 -25.193 282 HD11 ILE 37 3HD1 ILE 37 -12.382 18.005 -21.134 283 HD12 ILE 37 1HD1 ILE 37 -12.869 16.346 -20.788 284 HD13 ILE 37 2HD1 ILE 37 -11.163 16.736 -21.015 285 H ASP 38 H ASP 38 -14.066 13.728 -25.707 286 HA ASP 38 HA ASP 38 -14.116 16.038 -27.371 287 HB2 ASP 38 1HB ASP 38 -14.367 13.096 -27.788 288 HB3 ASP 38 2HB ASP 38 -14.931 14.163 -29.071 289 H GLU 39 H GLU 39 -16.539 14.141 -25.789 290 HA GLU 39 HA GLU 39 -18.718 15.029 -27.442 291 HB2 GLU 39 1HB GLU 39 -18.488 13.455 -24.902 292 HB3 GLU 39 2HB GLU 39 -20.051 14.084 -25.401 293 HG2 GLU 39 1HG GLU 39 -20.025 11.934 -26.260 294 HG3 GLU 39 2HG GLU 39 -19.583 12.935 -27.641 295 H ASN 40 H ASN 40 -20.701 15.919 -26.039 296 HA ASN 40 HA ASN 40 -19.699 18.239 -24.525 297 HB2 ASN 40 1HB ASN 40 -21.581 19.545 -25.469 298 HB3 ASN 40 2HB ASN 40 -20.468 18.980 -26.711 299 HD21 ASN 40 1HD2 ASN 40 -23.653 18.789 -25.422 300 HD22 ASN 40 2HD2 ASN 40 -24.334 17.811 -26.674 301 H ASP 41 H ASP 41 -22.258 15.872 -24.956 302 HA ASP 41 HA ASP 41 -24.083 16.683 -23.051 303 HB2 ASP 41 1HB ASP 41 -24.825 14.385 -22.945 304 HB3 ASP 41 2HB ASP 41 -24.377 14.760 -24.607 305 H THR 42 H THR 42 -24.101 16.831 -20.902 306 HA THR 42 HA THR 42 -21.709 16.126 -19.428 307 HB THR 42 HB THR 42 -24.174 17.237 -18.133 308 HG1 THR 42 HG1 THR 42 -24.062 18.774 -19.615 309 HG21 THR 42 3HG2 THR 42 -21.880 16.588 -17.023 310 HG22 THR 42 1HG2 THR 42 -22.731 18.053 -16.536 311 HG23 THR 42 2HG2 THR 42 -21.374 18.154 -17.658 312 H ASP 43 H ASP 43 -24.783 14.767 -20.048 313 HA ASP 43 HA ASP 43 -25.287 13.344 -17.699 314 HB2 ASP 43 1HB ASP 43 -26.889 13.562 -19.578 315 HB3 ASP 43 2HB ASP 43 -25.886 12.475 -20.535 316 H VAL 44 H VAL 44 -22.886 12.888 -20.121 317 HA VAL 44 HA VAL 44 -22.348 10.134 -19.348 318 HB VAL 44 HB VAL 44 -22.158 10.803 -21.722 319 HG11 VAL 44 1HG1 VAL 44 -20.944 12.538 -22.439 320 HG12 VAL 44 2HG1 VAL 44 -20.899 13.041 -20.748 321 HG13 VAL 44 3HG1 VAL 44 -19.566 12.105 -21.426 322 HG21 VAL 44 3HG2 VAL 44 -20.945 8.864 -21.028 323 HG22 VAL 44 1HG2 VAL 44 -19.903 9.792 -22.107 324 HG23 VAL 44 2HG2 VAL 44 -19.642 9.849 -20.364 325 H MET 45 H MET 45 -21.148 13.342 -18.756 326 HA MET 45 HA MET 45 -18.566 12.801 -17.875 327 HB2 MET 45 1HB MET 45 -20.520 14.967 -17.530 328 HB3 MET 45 2HB MET 45 -19.360 14.831 -16.215 329 HG2 MET 45 1HG MET 45 -17.701 14.655 -18.323 330 HG3 MET 45 2HG MET 45 -18.972 15.665 -19.008 331 HE1 MET 45 3HE MET 45 -15.606 16.093 -16.695 332 HE2 MET 45 1HE MET 45 -16.548 16.479 -15.254 333 HE3 MET 45 2HE MET 45 -16.809 14.951 -16.094 334 H MET 46 H MET 46 -21.566 12.972 -15.957 335 HA MET 46 HA MET 46 -20.471 12.331 -13.482 336 HB2 MET 46 1HB MET 46 -22.765 13.149 -13.771 337 HB3 MET 46 2HB MET 46 -23.214 11.638 -14.550 338 HG2 MET 46 1HG MET 46 -23.997 11.379 -12.392 339 HG3 MET 46 2HG MET 46 -22.456 10.526 -12.366 340 HE1 MET 46 3HE MET 46 -22.636 12.039 -8.763 341 HE2 MET 46 1HE MET 46 -23.936 11.337 -9.728 342 HE3 MET 46 2HE MET 46 -22.343 10.580 -9.710 343 H ASP 47 H ASP 47 -22.130 10.106 -15.727 344 HA ASP 47 HA ASP 47 -21.649 7.743 -14.384 345 HB2 ASP 47 1HB ASP 47 -23.112 7.598 -16.210 346 HB3 ASP 47 2HB ASP 47 -21.971 8.375 -17.305 347 H PHE 48 H PHE 48 -19.516 9.554 -16.509 348 HA PHE 48 HA PHE 48 -17.518 7.568 -16.773 349 HB2 PHE 48 1HB PHE 48 -17.494 9.338 -18.355 350 HB3 PHE 48 2HB PHE 48 -17.484 10.566 -17.093 351 HD1 PHE 48 HD1 PHE 48 -15.453 7.908 -18.674 352 HD2 PHE 48 HD2 PHE 48 -15.469 11.388 -16.222 353 HE1 PHE 48 HE1 PHE 48 -12.997 7.997 -18.790 354 HE2 PHE 48 HE2 PHE 48 -13.013 11.483 -16.335 355 HZ PHE 48 HZ PHE 48 -11.774 9.787 -17.621 356 H ILE 49 H ILE 49 -17.726 10.426 -14.658 357 HA ILE 49 HA ILE 49 -15.353 10.069 -13.264 358 HB ILE 49 HB ILE 49 -17.953 11.189 -12.210 359 HG12 ILE 49 1HG1 ILE 49 -15.698 12.941 -13.003 360 HG13 ILE 49 2HG1 ILE 49 -16.552 12.137 -14.315 361 HG21 ILE 49 1HG2 ILE 49 -16.381 12.456 -10.678 362 HG22 ILE 49 2HG2 ILE 49 -16.597 10.740 -10.335 363 HG23 ILE 49 3HG2 ILE 49 -15.140 11.298 -11.157 364 HD11 ILE 49 3HD1 ILE 49 -17.958 13.732 -12.197 365 HD12 ILE 49 1HD1 ILE 49 -17.361 14.436 -13.699 366 HD13 ILE 49 2HD1 ILE 49 -18.591 13.173 -13.745 367 H SER 50 H SER 50 -18.580 8.772 -12.556 368 HA SER 50 HA SER 50 -17.739 7.402 -10.192 369 HB2 SER 50 1HB SER 50 -20.108 8.167 -10.740 370 HB3 SER 50 2HB SER 50 -20.202 6.778 -11.824 371 HG SER 50 HG SER 50 -19.431 6.480 -9.127 372 H ARG 51 H ARG 51 -17.872 6.638 -13.580 373 HA ARG 51 HA ARG 51 -17.773 3.824 -13.388 374 HB2 ARG 51 1HB ARG 51 -18.375 4.807 -15.480 375 HB3 ARG 51 2HB ARG 51 -16.883 5.736 -15.544 376 HG2 ARG 51 1HG ARG 51 -16.783 3.883 -17.088 377 HG3 ARG 51 2HG ARG 51 -15.611 3.652 -15.789 378 HD2 ARG 51 1HD ARG 51 -16.816 1.934 -14.828 379 HD3 ARG 51 2HD ARG 51 -18.339 2.468 -15.538 380 HE ARG 51 HE ARG 51 -16.654 1.694 -17.619 381 HH11 ARG 51 1HH1 ARG 51 -18.292 0.268 -14.899 382 HH12 ARG 51 2HH1 ARG 51 -18.457 -1.287 -15.647 383 HH21 ARG 51 1HH2 ARG 51 -16.864 -0.347 -18.614 384 HH22 ARG 51 2HH2 ARG 51 -17.643 -1.636 -17.760 385 H PHE 52 H PHE 52 -15.207 6.257 -13.752 386 HA PHE 52 HA PHE 52 -13.153 4.230 -13.441 387 HB2 PHE 52 1HB PHE 52 -13.204 7.122 -14.159 388 HB3 PHE 52 2HB PHE 52 -11.723 6.476 -13.459 389 HD1 PHE 52 HD1 PHE 52 -10.706 4.406 -14.572 390 HD2 PHE 52 HD2 PHE 52 -13.643 6.869 -16.422 391 HE1 PHE 52 HE1 PHE 52 -10.043 3.535 -16.775 392 HE2 PHE 52 HE2 PHE 52 -12.985 6.002 -18.628 393 HZ PHE 52 HZ PHE 52 -11.184 4.333 -18.807 394 H ALA 53 H ALA 53 -14.018 7.260 -11.769 395 HA ALA 53 HA ALA 53 -12.381 6.646 -9.501 396 HB1 ALA 53 3HB ALA 53 -14.364 8.638 -8.925 397 HB2 ALA 53 1HB ALA 53 -12.617 8.814 -9.093 398 HB3 ALA 53 2HB ALA 53 -13.656 8.927 -10.514 399 H ARG 54 H ARG 54 -12.882 5.222 -7.981 400 HA ARG 54 HA ARG 54 -15.716 4.883 -7.248 401 HB2 ARG 54 1HB ARG 54 -14.112 2.958 -8.426 402 HB3 ARG 54 2HB ARG 54 -14.033 2.559 -6.715 403 HG2 ARG 54 1HG ARG 54 -16.667 2.901 -6.933 404 HG3 ARG 54 2HG ARG 54 -16.308 2.425 -8.594 405 HD2 ARG 54 1HD ARG 54 -14.853 0.650 -7.031 406 HD3 ARG 54 2HD ARG 54 -16.388 0.825 -6.181 407 HE ARG 54 HE ARG 54 -17.357 -0.410 -7.828 408 HH11 ARG 54 1HH1 ARG 54 -14.435 1.002 -9.089 409 HH12 ARG 54 2HH1 ARG 54 -14.551 0.197 -10.619 410 HH21 ARG 54 1HH2 ARG 54 -17.521 -1.475 -9.839 411 HH22 ARG 54 2HH2 ARG 54 -16.308 -1.211 -11.044 412 H THR 55 H THR 55 -16.108 5.451 -5.223 413 HA THR 55 HA THR 55 -13.987 5.982 -3.372 414 HB THR 55 HB THR 55 -15.746 6.638 -1.808 415 HG1 THR 55 HG1 THR 55 -17.539 5.672 -3.808 416 HG21 THR 55 3HG2 THR 55 -16.371 8.558 -2.913 417 HG22 THR 55 1HG2 THR 55 -16.714 7.709 -4.420 418 HG23 THR 55 2HG2 THR 55 -15.045 8.014 -3.940 419 H ASP 56 H ASP 56 -13.233 3.652 -3.548 420 HA ASP 56 HA ASP 56 -13.949 2.295 -1.142 421 HB2 ASP 56 1HB ASP 56 -15.019 1.330 -3.745 422 HB3 ASP 56 2HB ASP 56 -14.398 0.117 -2.628 423 H GLU 57 H GLU 57 -12.636 0.322 -0.813 424 HA GLU 57 HA GLU 57 -10.639 -0.768 -0.794 425 HB2 GLU 57 1HB GLU 57 -11.398 -1.083 -3.265 426 HB3 GLU 57 2HB GLU 57 -10.137 0.089 -3.625 427 HG2 GLU 57 1HG GLU 57 -8.440 -1.330 -2.874 428 HG3 GLU 57 2HG GLU 57 -9.572 -2.375 -2.018 429 H ILE 58 H ILE 58 -10.714 1.904 0.100 430 HA ILE 58 HA ILE 58 -8.091 2.940 -0.745 431 HB ILE 58 HB ILE 58 -10.296 4.412 0.702 432 HG12 ILE 58 1HG1 ILE 58 -9.394 4.739 -2.163 433 HG13 ILE 58 2HG1 ILE 58 -10.785 3.770 -1.689 434 HG21 ILE 58 1HG2 ILE 58 -8.769 6.359 -0.239 435 HG22 ILE 58 2HG2 ILE 58 -8.449 5.596 1.318 436 HG23 ILE 58 3HG2 ILE 58 -7.527 5.114 -0.106 437 HD11 ILE 58 3HD1 ILE 58 -10.765 6.465 -2.313 438 HD12 ILE 58 1HD1 ILE 58 -12.079 5.562 -1.561 439 HD13 ILE 58 2HD1 ILE 58 -10.911 6.421 -0.557 440 H MET 59 H MET 59 -6.445 2.823 0.632 441 HA MET 59 HA MET 59 -7.025 2.169 3.440 442 HB2 MET 59 1HB MET 59 -4.796 1.452 1.585 443 HB3 MET 59 2HB MET 59 -4.465 1.539 3.310 444 HG2 MET 59 1HG MET 59 -6.867 0.040 2.821 445 HG3 MET 59 2HG MET 59 -5.525 -0.609 1.882 446 HE1 MET 59 3HE MET 59 -6.417 -2.804 4.676 447 HE2 MET 59 1HE MET 59 -6.127 -2.597 2.948 448 HE3 MET 59 2HE MET 59 -4.834 -3.183 3.995 449 HA PRO 60 HA PRO 60 -5.258 5.901 4.921 450 HB2 PRO 60 1HB PRO 60 -3.909 5.073 7.127 451 HB3 PRO 60 2HB PRO 60 -5.674 5.142 7.050 452 HG2 PRO 60 1HG PRO 60 -3.853 2.790 6.707 453 HG3 PRO 60 2HG PRO 60 -5.380 2.902 7.603 454 HD2 PRO 60 1HD PRO 60 -5.218 1.808 5.131 455 HD3 PRO 60 2HD PRO 60 -6.659 2.676 5.699 456 H GLU 61 H GLU 61 -3.207 3.291 4.012 457 HA GLU 61 HA GLU 61 -0.791 4.924 4.222 458 HB2 GLU 61 1HB GLU 61 -1.275 2.011 3.632 459 HB3 GLU 61 2HB GLU 61 0.293 2.760 3.361 460 HG2 GLU 61 1HG GLU 61 0.616 1.964 5.458 461 HG3 GLU 61 2HG GLU 61 -0.041 3.551 5.853 462 H ASP 62 H ASP 62 -2.859 5.627 2.328 463 HA ASP 62 HA ASP 62 -1.762 4.890 -0.269 464 HB2 ASP 62 1HB ASP 62 -3.688 5.984 -1.219 465 HB3 ASP 62 2HB ASP 62 -4.230 4.965 0.111 466 H LYS 63 H LYS 63 -0.931 6.372 -1.756 467 HA LYS 63 HA LYS 63 -0.343 9.066 -0.752 468 HB2 LYS 63 1HB LYS 63 1.968 8.920 -1.442 469 HB3 LYS 63 2HB LYS 63 1.619 7.606 -0.325 470 HG2 LYS 63 1HG LYS 63 1.148 6.306 -2.583 471 HG3 LYS 63 2HG LYS 63 2.254 7.525 -3.219 472 HD2 LYS 63 1HD LYS 63 2.985 6.057 -0.726 473 HD3 LYS 63 2HD LYS 63 3.161 5.246 -2.284 474 HE2 LYS 63 1HE LYS 63 4.434 7.347 -3.015 475 HE3 LYS 63 2HE LYS 63 4.514 7.739 -1.298 476 HZ1 LYS 63 3HZ LYS 63 6.399 6.543 -1.424 477 HZ2 LYS 63 1HZ LYS 63 5.910 5.681 -2.796 478 HZ3 LYS 63 2HZ LYS 63 5.357 5.220 -1.265 479 H THR 64 H THR 64 0.633 10.438 -2.571 480 HA THR 64 HA THR 64 -1.112 10.174 -4.870 481 HB THR 64 HB THR 64 0.912 12.350 -4.744 482 HG1 THR 64 HG1 THR 64 -0.269 13.443 -3.161 483 HG21 THR 64 3HG2 THR 64 -0.583 13.476 -6.015 484 HG22 THR 64 1HG2 THR 64 -1.967 12.884 -5.098 485 HG23 THR 64 2HG2 THR 64 -1.224 11.864 -6.331 486 H VAL 65 H VAL 65 -0.538 9.458 -6.823 487 HA VAL 65 HA VAL 65 2.288 8.801 -7.274 488 HB VAL 65 HB VAL 65 0.612 6.961 -7.442 489 HG11 VAL 65 1HG1 VAL 65 -0.916 8.783 -8.785 490 HG12 VAL 65 2HG1 VAL 65 -0.299 7.779 -10.098 491 HG13 VAL 65 3HG1 VAL 65 -1.192 7.042 -8.767 492 HG21 VAL 65 3HG2 VAL 65 2.829 7.402 -8.934 493 HG22 VAL 65 1HG2 VAL 65 1.882 5.914 -8.979 494 HG23 VAL 65 2HG2 VAL 65 1.622 7.163 -10.197 495 H GLY 66 H GLY 66 -0.255 10.856 -8.336 496 HA2 GLY 66 1HA GLY 66 1.415 12.454 -9.922 497 HA3 GLY 66 2HA GLY 66 0.554 11.352 -10.986 498 H PHE 67 H PHE 67 0.255 14.107 -11.160 499 HA PHE 67 HA PHE 67 -2.572 14.374 -10.422 500 HB2 PHE 67 1HB PHE 67 -2.214 16.740 -9.826 501 HB3 PHE 67 2HB PHE 67 -1.314 15.657 -8.770 502 HD1 PHE 67 HD1 PHE 67 1.151 15.320 -9.216 503 HD2 PHE 67 HD2 PHE 67 -1.131 18.420 -11.032 504 HE1 PHE 67 HE1 PHE 67 3.224 16.542 -9.727 505 HE2 PHE 67 HE2 PHE 67 0.938 19.646 -11.547 506 HZ PHE 67 HZ PHE 67 3.120 18.708 -10.895 507 H VAL 68 H VAL 68 -3.850 15.361 -11.926 508 HA VAL 68 HA VAL 68 -2.534 16.447 -14.323 509 HB VAL 68 HB VAL 68 -4.907 14.576 -14.323 510 HG11 VAL 68 1HG1 VAL 68 -3.555 16.140 -16.500 511 HG12 VAL 68 2HG1 VAL 68 -4.488 14.681 -16.841 512 HG13 VAL 68 3HG1 VAL 68 -5.268 16.074 -16.090 513 HG21 VAL 68 3HG2 VAL 68 -2.595 13.599 -13.909 514 HG22 VAL 68 1HG2 VAL 68 -3.505 12.936 -15.266 515 HG23 VAL 68 2HG2 VAL 68 -2.207 14.094 -15.556 516 H VAL 69 H VAL 69 -3.266 18.386 -14.897 517 HA VAL 69 HA VAL 69 -5.781 19.334 -13.701 518 HB VAL 69 HB VAL 69 -3.562 21.011 -14.876 519 HG11 VAL 69 1HG1 VAL 69 -4.745 22.736 -13.355 520 HG12 VAL 69 2HG1 VAL 69 -5.476 22.325 -14.908 521 HG13 VAL 69 3HG1 VAL 69 -6.107 21.618 -13.421 522 HG21 VAL 69 3HG2 VAL 69 -2.413 20.398 -13.048 523 HG22 VAL 69 1HG2 VAL 69 -3.517 21.470 -12.186 524 HG23 VAL 69 2HG2 VAL 69 -3.842 19.737 -12.253 525 H VAL 70 H VAL 70 -7.472 19.345 -15.016 526 HA VAL 70 HA VAL 70 -7.053 20.052 -17.846 527 HB VAL 70 HB VAL 70 -8.976 17.977 -16.782 528 HG11 VAL 70 1HG1 VAL 70 -10.191 18.475 -18.585 529 HG12 VAL 70 2HG1 VAL 70 -8.923 19.504 -19.254 530 HG13 VAL 70 3HG1 VAL 70 -8.886 17.763 -19.533 531 HG21 VAL 70 3HG2 VAL 70 -7.528 16.602 -18.501 532 HG22 VAL 70 1HG2 VAL 70 -6.326 17.839 -18.132 533 HG23 VAL 70 2HG2 VAL 70 -6.987 16.838 -16.839 534 H ASN 71 H ASN 71 -8.034 21.902 -18.293 535 HA ASN 71 HA ASN 71 -10.660 22.439 -17.087 536 HB2 ASN 71 1HB ASN 71 -8.383 24.410 -17.377 537 HB3 ASN 71 2HB ASN 71 -10.025 24.842 -16.909 538 HD21 ASN 71 1HD2 ASN 71 -7.293 22.803 -15.992 539 HD22 ASN 71 2HD2 ASN 71 -7.589 22.865 -14.291 540 H ALA 72 H ALA 72 -11.981 22.233 -18.791 541 HA ALA 72 HA ALA 72 -11.268 22.821 -21.466 542 HB1 ALA 72 3HB ALA 72 -13.997 22.495 -20.224 543 HB2 ALA 72 1HB ALA 72 -13.657 22.516 -21.954 544 HB3 ALA 72 2HB ALA 72 -13.014 21.220 -20.945 545 H ASP 73 H ASP 73 -12.459 24.756 -18.869 546 HA ASP 73 HA ASP 73 -13.578 26.853 -20.446 547 HB2 ASP 73 1HB ASP 73 -13.385 28.167 -18.288 548 HB3 ASP 73 2HB ASP 73 -14.328 26.683 -18.193 549 H LYS 74 H LYS 74 -10.495 26.505 -18.700 550 HA LYS 74 HA LYS 74 -9.458 28.848 -20.120 551 HB2 LYS 74 1HB LYS 74 -8.449 27.301 -17.733 552 HB3 LYS 74 2HB LYS 74 -7.509 28.562 -18.522 553 HG2 LYS 74 1HG LYS 74 -8.951 30.244 -17.837 554 HG3 LYS 74 2HG LYS 74 -10.279 29.119 -17.541 555 HD2 LYS 74 1HD LYS 74 -9.023 28.176 -15.641 556 HD3 LYS 74 2HD LYS 74 -7.741 29.357 -15.923 557 HE2 LYS 74 1HE LYS 74 -10.609 30.080 -15.339 558 HE3 LYS 74 2HE LYS 74 -9.351 29.971 -14.109 559 HZ1 LYS 74 3HZ LYS 74 -8.753 32.030 -14.597 560 HZ2 LYS 74 1HZ LYS 74 -9.951 32.129 -15.788 561 HZ3 LYS 74 2HZ LYS 74 -8.402 31.581 -16.190 562 H LYS 75 H LYS 75 -9.855 26.019 -21.185 563 HA LYS 75 HA LYS 75 -8.688 24.403 -22.339 564 HB2 LYS 75 1HB LYS 75 -7.365 25.371 -24.175 565 HB3 LYS 75 2HB LYS 75 -8.893 26.214 -23.955 566 HG2 LYS 75 1HG LYS 75 -7.844 28.081 -22.984 567 HG3 LYS 75 2HG LYS 75 -6.329 27.205 -22.748 568 HD2 LYS 75 1HD LYS 75 -5.973 27.115 -25.144 569 HD3 LYS 75 2HD LYS 75 -7.533 27.891 -25.430 570 HE2 LYS 75 1HE LYS 75 -5.297 29.160 -23.859 571 HE3 LYS 75 2HE LYS 75 -5.533 29.404 -25.589 572 HZ1 LYS 75 3HZ LYS 75 -7.982 29.911 -24.513 573 HZ2 LYS 75 1HZ LYS 75 -6.854 31.074 -24.999 574 HZ3 LYS 75 2HZ LYS 75 -6.919 30.584 -23.382 575 H LEU 76 H LEU 76 -7.638 24.436 -19.848 576 HA LEU 76 HA LEU 76 -4.724 24.515 -20.196 577 HB2 LEU 76 1HB LEU 76 -6.407 24.364 -17.700 578 HB3 LEU 76 2HB LEU 76 -4.645 24.352 -17.726 579 HG LEU 76 HG LEU 76 -6.471 26.624 -18.494 580 HD11 LEU 76 1HD1 LEU 76 -6.148 26.313 -16.098 581 HD12 LEU 76 2HD1 LEU 76 -5.347 27.779 -16.662 582 HD13 LEU 76 3HD1 LEU 76 -4.399 26.332 -16.323 583 HD21 LEU 76 3HD2 LEU 76 -4.375 27.889 -18.887 584 HD22 LEU 76 1HD2 LEU 76 -4.647 26.601 -20.060 585 HD23 LEU 76 2HD2 LEU 76 -3.478 26.375 -18.759 586 H MET 77 H MET 77 -3.589 22.692 -20.343 587 HA MET 77 HA MET 77 -4.724 20.207 -19.280 588 HB2 MET 77 1HB MET 77 -3.519 20.451 -22.042 589 HB3 MET 77 2HB MET 77 -4.144 18.983 -21.304 590 HG2 MET 77 1HG MET 77 -5.901 21.371 -21.688 591 HG3 MET 77 2HG MET 77 -5.597 20.244 -23.008 592 HE1 MET 77 3HE MET 77 -9.222 19.816 -21.209 593 HE2 MET 77 1HE MET 77 -8.243 21.155 -21.809 594 HE3 MET 77 2HE MET 77 -8.610 19.790 -22.864 595 H SER 78 H SER 78 -3.297 19.553 -17.815 596 HA SER 78 HA SER 78 -0.479 19.371 -18.582 597 HB2 SER 78 1HB SER 78 -1.522 20.746 -16.103 598 HB3 SER 78 2HB SER 78 0.143 20.185 -16.256 599 HG SER 78 HG SER 78 0.412 22.090 -17.121 600 H VAL 79 H VAL 79 0.333 17.437 -18.111 601 HA VAL 79 HA VAL 79 -0.978 15.837 -16.011 602 HB VAL 79 HB VAL 79 -0.416 13.813 -17.350 603 HG11 VAL 79 1HG1 VAL 79 -2.376 15.875 -18.157 604 HG12 VAL 79 2HG1 VAL 79 -2.126 14.535 -19.278 605 HG13 VAL 79 3HG1 VAL 79 -2.630 14.216 -17.618 606 HG21 VAL 79 3HG2 VAL 79 0.382 15.887 -19.378 607 HG22 VAL 79 1HG2 VAL 79 1.341 14.548 -18.747 608 HG23 VAL 79 2HG2 VAL 79 -0.023 14.228 -19.819 609 H SER 80 H SER 80 0.332 15.248 -14.420 610 HA SER 80 HA SER 80 3.166 14.770 -14.985 611 HB2 SER 80 1HB SER 80 3.183 15.984 -12.474 612 HB3 SER 80 2HB SER 80 3.750 16.696 -13.985 613 HG SER 80 HG SER 80 1.055 16.821 -13.116 614 H PHE 81 H PHE 81 3.206 12.637 -14.568 615 HA PHE 81 HA PHE 81 2.325 11.777 -11.893 616 HB2 PHE 81 1HB PHE 81 1.888 9.512 -13.028 617 HB3 PHE 81 2HB PHE 81 0.720 10.800 -13.308 618 HD1 PHE 81 HD2 PHE 81 0.668 11.974 -15.471 619 HD2 PHE 81 HD1 PHE 81 3.199 8.619 -14.796 620 HE1 PHE 81 HE2 PHE 81 0.960 11.709 -17.900 621 HE2 PHE 81 HE1 PHE 81 3.496 8.350 -17.224 622 HZ PHE 81 HZ PHE 81 2.374 9.895 -18.779 623 H SER 82 H SER 82 3.341 9.543 -11.375 624 HA SER 82 HA SER 82 6.066 9.834 -11.072 625 HB2 SER 82 1HB SER 82 4.522 8.199 -9.878 626 HB3 SER 82 2HB SER 82 4.713 7.141 -11.276 627 HG SER 82 HG SER 82 6.297 7.300 -9.215 628 H ASP 83 H ASP 83 7.878 8.825 -12.044 629 HA ASP 83 HA ASP 83 7.807 8.817 -14.885 630 HB2 ASP 83 1HB ASP 83 9.922 8.141 -12.853 631 HB3 ASP 83 2HB ASP 83 10.204 7.912 -14.576 632 H ILE 84 H ILE 84 6.643 7.242 -15.841 633 HA ILE 84 HA ILE 84 6.978 4.475 -14.947 634 HB ILE 84 HB ILE 84 5.109 3.988 -16.533 635 HG12 ILE 84 1HG1 ILE 84 4.874 6.996 -16.716 636 HG13 ILE 84 2HG1 ILE 84 5.541 5.984 -17.992 637 HG21 ILE 84 1HG2 ILE 84 4.400 6.133 -14.544 638 HG22 ILE 84 2HG2 ILE 84 3.399 4.788 -15.088 639 HG23 ILE 84 3HG2 ILE 84 4.820 4.482 -14.090 640 HD11 ILE 84 3HD1 ILE 84 2.766 6.480 -17.240 641 HD12 ILE 84 1HD1 ILE 84 3.457 5.979 -18.783 642 HD13 ILE 84 2HD1 ILE 84 3.145 4.782 -17.525 643 H ASP 85 H ASP 85 6.670 2.935 -17.035 644 HA ASP 85 HA ASP 85 9.132 2.956 -18.358 645 HB2 ASP 85 1HB ASP 85 6.550 1.495 -18.848 646 HB3 ASP 85 2HB ASP 85 7.921 1.298 -19.937 647 H GLU 86 H GLU 86 9.433 2.998 -20.755 648 HA GLU 86 HA GLU 86 8.499 5.503 -21.777 649 HB2 GLU 86 1HB GLU 86 9.880 4.971 -23.740 650 HB3 GLU 86 2HB GLU 86 10.768 4.748 -22.239 651 HG2 GLU 86 1HG GLU 86 10.318 2.321 -22.384 652 HG3 GLU 86 2HG GLU 86 9.554 2.592 -23.949 653 H ASN 87 H ASN 87 7.714 2.134 -22.296 654 HA ASN 87 HA ASN 87 6.345 2.260 -24.700 655 HB2 ASN 87 1HB ASN 87 6.886 0.221 -23.206 656 HB3 ASN 87 2HB ASN 87 5.360 0.582 -22.403 657 HD21 ASN 87 1HD2 ASN 87 6.882 -0.556 -25.293 658 HD22 ASN 87 2HD2 ASN 87 5.450 -1.135 -26.068 659 H MET 88 H MET 88 5.224 3.034 -21.441 660 HA MET 88 HA MET 88 2.526 3.551 -22.271 661 HB2 MET 88 1HB MET 88 4.056 3.995 -19.721 662 HB3 MET 88 2HB MET 88 2.427 4.624 -19.925 663 HG2 MET 88 1HG MET 88 1.476 2.603 -19.720 664 HG3 MET 88 2HG MET 88 2.763 1.791 -20.609 665 HE1 MET 88 3HE MET 88 0.915 2.179 -17.824 666 HE2 MET 88 1HE MET 88 1.561 0.725 -17.061 667 HE3 MET 88 2HE MET 88 1.889 2.310 -16.359 668 H LYS 89 H LYS 89 5.436 5.438 -21.793 669 HA LYS 89 HA LYS 89 4.360 8.005 -21.712 670 HB2 LYS 89 1HB LYS 89 6.978 6.943 -22.754 671 HB3 LYS 89 2HB LYS 89 6.598 8.660 -22.793 672 HG2 LYS 89 1HG LYS 89 6.329 8.664 -20.369 673 HG3 LYS 89 2HG LYS 89 6.690 6.936 -20.324 674 HD2 LYS 89 1HD LYS 89 8.741 7.872 -19.811 675 HD3 LYS 89 2HD LYS 89 8.875 7.633 -21.554 676 HE2 LYS 89 1HE LYS 89 8.165 9.991 -21.875 677 HE3 LYS 89 2HE LYS 89 8.189 10.199 -20.124 678 HZ1 LYS 89 3HZ LYS 89 10.617 9.262 -20.462 679 HZ2 LYS 89 1HZ LYS 89 10.269 10.911 -20.616 680 HZ3 LYS 89 2HZ LYS 89 10.416 9.946 -21.996 681 H LYS 90 H LYS 90 4.986 5.879 -24.435 682 HA LYS 90 HA LYS 90 4.718 7.714 -26.524 683 HB2 LYS 90 1HB LYS 90 5.478 5.310 -26.687 684 HB3 LYS 90 2HB LYS 90 3.785 4.842 -26.591 685 HG2 LYS 90 1HG LYS 90 3.290 5.962 -28.646 686 HG3 LYS 90 2HG LYS 90 4.909 6.663 -28.708 687 HD2 LYS 90 1HD LYS 90 5.208 4.893 -30.121 688 HD3 LYS 90 2HD LYS 90 5.621 4.116 -28.591 689 HE2 LYS 90 1HE LYS 90 3.222 3.387 -28.433 690 HE3 LYS 90 2HE LYS 90 3.006 3.976 -30.081 691 HZ1 LYS 90 3HZ LYS 90 5.142 2.044 -29.453 692 HZ2 LYS 90 1HZ LYS 90 4.380 2.345 -30.933 693 HZ3 LYS 90 2HZ LYS 90 3.558 1.512 -29.712 694 H VAL 91 H VAL 91 2.231 5.570 -25.128 695 HA VAL 91 HA VAL 91 0.080 6.593 -26.614 696 HB VAL 91 HB VAL 91 -0.062 5.377 -23.853 697 HG11 VAL 91 1HG1 VAL 91 -2.243 4.626 -25.458 698 HG12 VAL 91 2HG1 VAL 91 -2.251 5.692 -24.051 699 HG13 VAL 91 3HG1 VAL 91 -2.046 6.366 -25.669 700 HG21 VAL 91 3HG2 VAL 91 0.254 4.146 -26.563 701 HG22 VAL 91 1HG2 VAL 91 1.091 3.766 -25.058 702 HG23 VAL 91 2HG2 VAL 91 -0.590 3.280 -25.280 703 H ILE 92 H ILE 92 1.102 7.324 -23.280 704 HA ILE 92 HA ILE 92 -0.824 9.231 -22.682 705 HB ILE 92 HB ILE 92 2.047 9.161 -21.747 706 HG12 ILE 92 1HG1 ILE 92 -0.330 8.201 -20.186 707 HG13 ILE 92 2HG1 ILE 92 0.426 7.147 -21.377 708 HG21 ILE 92 1HG2 ILE 92 0.472 10.250 -19.747 709 HG22 ILE 92 2HG2 ILE 92 1.586 11.122 -20.799 710 HG23 ILE 92 3HG2 ILE 92 -0.122 11.008 -21.224 711 HD11 ILE 92 3HD1 ILE 92 1.803 6.515 -19.764 712 HD12 ILE 92 1HD1 ILE 92 2.545 8.110 -19.883 713 HD13 ILE 92 2HD1 ILE 92 1.269 7.817 -18.701 714 H LYS 93 H LYS 93 2.268 9.595 -24.348 715 HA LYS 93 HA LYS 93 2.237 12.418 -24.494 716 HB2 LYS 93 1HB LYS 93 4.266 11.056 -24.845 717 HB3 LYS 93 2HB LYS 93 3.579 10.433 -26.340 718 HG2 LYS 93 1HG LYS 93 3.840 12.443 -27.452 719 HG3 LYS 93 2HG LYS 93 3.916 13.377 -25.956 720 HD2 LYS 93 1HD LYS 93 6.124 13.361 -26.714 721 HD3 LYS 93 2HD LYS 93 6.090 12.080 -25.500 722 HE2 LYS 93 1HE LYS 93 5.527 11.386 -28.342 723 HE3 LYS 93 2HE LYS 93 7.193 11.697 -27.859 724 HZ1 LYS 93 3HZ LYS 93 7.071 9.482 -27.440 725 HZ2 LYS 93 1HZ LYS 93 5.415 9.506 -27.096 726 HZ3 LYS 93 2HZ LYS 93 6.526 10.047 -25.941 727 H ALA 94 H ALA 94 1.185 9.902 -26.767 728 HA ALA 94 HA ALA 94 0.405 11.616 -28.850 729 HB1 ALA 94 3HB ALA 94 -1.051 9.060 -28.360 730 HB2 ALA 94 1HB ALA 94 -0.478 9.758 -29.875 731 HB3 ALA 94 2HB ALA 94 0.666 9.015 -28.757 732 H THR 95 H THR 95 -1.517 10.148 -26.237 733 HA THR 95 HA THR 95 -3.984 11.262 -26.933 734 HB THR 95 HB THR 95 -3.034 10.633 -24.132 735 HG1 THR 95 HG1 THR 95 -3.223 8.594 -24.664 736 HG21 THR 95 3HG2 THR 95 -5.814 10.682 -25.314 737 HG22 THR 95 1HG2 THR 95 -5.134 11.920 -24.258 738 HG23 THR 95 2HG2 THR 95 -5.394 10.285 -23.648 739 H ALA 96 H ALA 96 -1.540 12.439 -24.627 740 HA ALA 96 HA ALA 96 -2.895 14.758 -23.835 741 HB1 ALA 96 3HB ALA 96 -0.907 13.774 -22.700 742 HB2 ALA 96 1HB ALA 96 0.095 14.418 -24.001 743 HB3 ALA 96 2HB ALA 96 -0.802 15.517 -22.952 744 H GLU 97 H GLU 97 -0.744 14.138 -26.558 745 HA GLU 97 HA GLU 97 -0.494 16.843 -27.378 746 HB2 GLU 97 1HB GLU 97 0.924 14.758 -28.028 747 HB3 GLU 97 2HB GLU 97 -0.292 14.529 -29.277 748 HG2 GLU 97 1HG GLU 97 0.980 17.201 -29.007 749 HG3 GLU 97 2HG GLU 97 1.907 15.889 -29.731 750 H LYS 98 H LYS 98 -2.759 14.265 -28.141 751 HA LYS 98 HA LYS 98 -4.043 15.502 -30.320 752 HB2 LYS 98 1HB LYS 98 -5.077 13.494 -28.312 753 HB3 LYS 98 2HB LYS 98 -5.937 13.961 -29.773 754 HG2 LYS 98 1HG LYS 98 -3.156 13.035 -30.125 755 HG3 LYS 98 2HG LYS 98 -4.340 11.825 -29.626 756 HD2 LYS 98 1HD LYS 98 -5.631 12.124 -31.553 757 HD3 LYS 98 2HD LYS 98 -4.883 13.680 -31.922 758 HE2 LYS 98 1HE LYS 98 -3.383 11.069 -31.960 759 HE3 LYS 98 2HE LYS 98 -4.174 11.750 -33.381 760 HZ1 LYS 98 3HZ LYS 98 -2.228 12.769 -33.699 761 HZ2 LYS 98 1HZ LYS 98 -1.705 12.514 -32.110 762 HZ3 LYS 98 2HZ LYS 98 -2.712 13.824 -32.468 763 H PHE 99 H PHE 99 -4.427 15.832 -26.858 764 HA PHE 99 HA PHE 99 -6.916 17.075 -26.749 765 HB2 PHE 99 1HB PHE 99 -4.547 16.906 -25.004 766 HB3 PHE 99 2HB PHE 99 -5.560 18.320 -24.736 767 HD1 PHE 99 HD2 PHE 99 -7.865 18.074 -23.978 768 HD2 PHE 99 HD1 PHE 99 -5.318 14.700 -24.476 769 HE1 PHE 99 HE2 PHE 99 -9.419 16.709 -22.647 770 HE2 PHE 99 HE1 PHE 99 -6.869 13.329 -23.146 771 HZ PHE 99 HZ PHE 99 -8.922 14.333 -22.228 772 H LYS 100 H LYS 100 -3.882 18.252 -27.884 773 HA LYS 100 HA LYS 100 -4.067 20.980 -27.551 774 HB2 LYS 100 1HB LYS 100 -2.996 19.389 -29.882 775 HB3 LYS 100 2HB LYS 100 -2.793 21.129 -29.731 776 HG2 LYS 100 1HG LYS 100 -1.566 20.818 -27.649 777 HG3 LYS 100 2HG LYS 100 -1.788 19.071 -27.774 778 HD2 LYS 100 1HD LYS 100 -0.254 18.859 -29.450 779 HD3 LYS 100 2HD LYS 100 -0.568 20.474 -30.090 780 HE2 LYS 100 1HE LYS 100 0.815 21.496 -28.535 781 HE3 LYS 100 2HE LYS 100 0.724 20.140 -27.413 782 HZ1 LYS 100 3HZ LYS 100 2.661 19.496 -28.250 783 HZ2 LYS 100 1HZ LYS 100 2.588 20.620 -29.512 784 HZ3 LYS 100 2HZ LYS 100 1.855 19.105 -29.685 785 H ASN 101 H ASN 101 -5.840 18.916 -29.736 786 HA ASN 101 HA ASN 101 -6.781 20.712 -31.605 787 HB2 ASN 101 1HB ASN 101 -7.999 18.267 -30.354 788 HB3 ASN 101 2HB ASN 101 -8.910 19.217 -31.524 789 HD21 ASN 101 1HD2 ASN 101 -8.002 16.500 -31.764 790 HD22 ASN 101 2HD2 ASN 101 -6.960 16.441 -33.141 791 H LYS 102 H LYS 102 -7.863 20.191 -28.299 792 HA LYS 102 HA LYS 102 -9.551 22.592 -28.549 793 HB2 LYS 102 1HB LYS 102 -11.217 21.637 -27.135 794 HB3 LYS 102 2HB LYS 102 -10.871 20.454 -28.391 795 HG2 LYS 102 1HG LYS 102 -9.390 19.267 -26.802 796 HG3 LYS 102 2HG LYS 102 -9.881 20.408 -25.548 797 HD2 LYS 102 1HD LYS 102 -11.846 18.738 -27.101 798 HD3 LYS 102 2HD LYS 102 -11.113 18.198 -25.588 799 HE2 LYS 102 1HE LYS 102 -12.466 20.861 -25.737 800 HE3 LYS 102 2HE LYS 102 -13.425 19.393 -25.555 801 HZ1 LYS 102 3HZ LYS 102 -12.231 20.804 -23.543 802 HZ2 LYS 102 1HZ LYS 102 -11.220 19.462 -23.744 803 HZ3 LYS 102 2HZ LYS 102 -12.866 19.240 -23.425 804 H GLY 103 H GLY 103 -6.752 22.147 -27.610 805 HA2 GLY 103 1HA GLY 103 -6.798 23.893 -25.397 806 HA3 GLY 103 2HA GLY 103 -6.566 22.250 -24.820 807 H PHE 104 H PHE 104 -5.242 24.712 -26.985 808 HA PHE 104 HA PHE 104 -2.897 23.484 -27.757 809 HB2 PHE 104 1HB PHE 104 -3.291 26.404 -27.069 810 HB3 PHE 104 2HB PHE 104 -1.964 25.750 -28.024 811 HD1 PHE 104 HD2 PHE 104 -2.442 24.727 -30.244 812 HD2 PHE 104 HD1 PHE 104 -5.394 26.850 -28.031 813 HE1 PHE 104 HE2 PHE 104 -3.792 24.972 -32.286 814 HE2 PHE 104 HE1 PHE 104 -6.749 27.097 -30.070 815 HZ PHE 104 HZ PHE 104 -5.948 26.159 -32.201 816 H LYS 105 H LYS 105 -3.740 24.868 -24.674 817 HA LYS 105 HA LYS 105 -1.084 24.973 -23.631 818 HB2 LYS 105 1HB LYS 105 -3.279 26.176 -22.838 819 HB3 LYS 105 2HB LYS 105 -3.498 24.719 -21.879 820 HG2 LYS 105 1HG LYS 105 -2.366 25.957 -20.364 821 HG3 LYS 105 2HG LYS 105 -0.984 25.253 -21.206 822 HD2 LYS 105 1HD LYS 105 -0.772 27.246 -22.577 823 HD3 LYS 105 2HD LYS 105 -2.207 27.944 -21.820 824 HE2 LYS 105 1HE LYS 105 -0.045 28.811 -20.926 825 HE3 LYS 105 2HE LYS 105 -1.101 28.099 -19.708 826 HZ1 LYS 105 3HZ LYS 105 1.096 26.594 -21.008 827 HZ2 LYS 105 1HZ LYS 105 0.219 26.163 -19.626 828 HZ3 LYS 105 2HZ LYS 105 1.303 27.460 -19.569 829 H VAL 106 H VAL 106 -0.394 22.817 -24.298 830 HA VAL 106 HA VAL 106 -1.359 20.700 -22.489 831 HB VAL 106 HB VAL 106 0.068 20.369 -25.132 832 HG11 VAL 106 1HG1 VAL 106 -0.401 18.015 -24.896 833 HG12 VAL 106 2HG1 VAL 106 0.486 18.577 -23.477 834 HG13 VAL 106 3HG1 VAL 106 -1.254 18.301 -23.380 835 HG21 VAL 106 3HG2 VAL 106 -2.832 20.261 -24.371 836 HG22 VAL 106 1HG2 VAL 106 -2.064 21.123 -25.705 837 HG23 VAL 106 2HG2 VAL 106 -2.216 19.367 -25.761 838 H GLU 107 H GLU 107 0.002 19.904 -21.020 839 HA GLU 107 HA GLU 107 2.889 20.213 -21.423 840 HB2 GLU 107 1HB GLU 107 1.416 20.987 -18.899 841 HB3 GLU 107 2HB GLU 107 3.165 20.939 -19.078 842 HG2 GLU 107 1HG GLU 107 3.009 22.667 -20.823 843 HG3 GLU 107 2HG GLU 107 1.268 22.746 -20.559 844 H THR 108 H THR 108 3.635 18.201 -21.428 845 HA THR 108 HA THR 108 2.480 16.257 -19.542 846 HB THR 108 HB THR 108 3.311 14.493 -20.998 847 HG1 THR 108 HG1 THR 108 4.364 15.026 -22.942 848 HG21 THR 108 3HG2 THR 108 2.117 15.683 -23.212 849 HG22 THR 108 1HG2 THR 108 1.393 16.501 -21.828 850 HG23 THR 108 2HG2 THR 108 1.309 14.744 -21.958 851 H ASP 109 H ASP 109 3.677 15.701 -17.854 852 HA ASP 109 HA ASP 109 6.448 16.500 -17.693 853 HB2 ASP 109 1HB ASP 109 4.578 16.465 -15.821 854 HB3 ASP 109 2HB ASP 109 5.153 14.815 -15.595 855 H MET 110 H MET 110 8.120 14.972 -16.917 856 HA MET 110 HA MET 110 8.316 12.747 -18.654 857 HB2 MET 110 1HB MET 110 9.972 13.537 -16.253 858 HB3 MET 110 2HB MET 110 10.392 12.232 -17.355 859 HG2 MET 110 1HG MET 110 10.784 13.704 -19.130 860 HG3 MET 110 2HG MET 110 9.950 15.031 -18.325 861 HE1 MET 110 3HE MET 110 12.105 15.840 -15.384 862 HE2 MET 110 1HE MET 110 11.814 16.966 -16.711 863 HE3 MET 110 2HE MET 110 10.532 15.876 -16.183 Start of MODEL 14 1 H MET 1 H MET 1 2.467 -1.717 -2.583 2 HA MET 1 HA MET 1 0.756 -0.487 -0.550 3 HB2 MET 1 1HB MET 1 1.642 1.743 -1.063 4 HB3 MET 1 2HB MET 1 2.890 0.691 -0.409 5 HG2 MET 1 1HG MET 1 2.603 0.863 -3.358 6 HG3 MET 1 2HG MET 1 3.319 2.226 -2.503 7 HE1 MET 1 3HE MET 1 5.824 2.296 -1.766 8 HE2 MET 1 1HE MET 1 5.055 1.510 -0.386 9 HE3 MET 1 2HE MET 1 6.566 0.871 -1.034 10 H THR 2 H THR 2 -0.504 1.403 -1.599 11 HA THR 2 HA THR 2 -1.504 0.435 -4.188 12 HB THR 2 HB THR 2 -2.867 2.178 -2.127 13 HG1 THR 2 HG1 THR 2 -3.003 -0.565 -2.794 14 HG21 THR 2 3HG2 THR 2 -3.742 2.840 -4.214 15 HG22 THR 2 1HG2 THR 2 -4.895 1.663 -3.587 16 HG23 THR 2 2HG2 THR 2 -3.739 1.188 -4.831 17 H LEU 3 H LEU 3 -0.591 1.505 -5.826 18 HA LEU 3 HA LEU 3 0.089 4.324 -5.544 19 HB2 LEU 3 1HB LEU 3 0.659 2.238 -7.625 20 HB3 LEU 3 2HB LEU 3 0.978 3.946 -7.917 21 HG LEU 3 HG LEU 3 2.238 2.245 -5.767 22 HD11 LEU 3 1HD1 LEU 3 3.479 3.475 -8.220 23 HD12 LEU 3 2HD1 LEU 3 2.983 1.788 -8.096 24 HD13 LEU 3 3HD1 LEU 3 4.254 2.413 -7.045 25 HD21 LEU 3 3HD2 LEU 3 3.605 4.686 -6.208 26 HD22 LEU 3 1HD2 LEU 3 2.794 4.131 -4.743 27 HD23 LEU 3 2HD2 LEU 3 1.902 5.063 -5.945 28 H CYS 4 H CYS 4 -1.540 5.700 -5.850 29 HA CYS 4 HA CYS 4 -3.334 5.235 -8.141 30 HB2 CYS 4 1HB CYS 4 -5.091 6.396 -6.928 31 HB3 CYS 4 2HB CYS 4 -4.483 5.061 -5.957 32 HG CYS 4 HG CYS 4 -5.061 7.855 -4.795 33 H ALA 5 H ALA 5 -4.357 7.339 -8.926 34 HA ALA 5 HA ALA 5 -2.484 9.592 -8.745 35 HB1 ALA 5 3HB ALA 5 -3.325 8.148 -11.225 36 HB2 ALA 5 1HB ALA 5 -2.920 9.864 -11.287 37 HB3 ALA 5 2HB ALA 5 -1.721 8.693 -10.735 38 H MET 6 H MET 6 -3.407 11.625 -9.583 39 HA MET 6 HA MET 6 -6.304 11.714 -9.081 40 HB2 MET 6 1HB MET 6 -4.157 13.811 -8.760 41 HB3 MET 6 2HB MET 6 -5.875 14.168 -8.645 42 HG2 MET 6 1HG MET 6 -4.603 12.068 -6.932 43 HG3 MET 6 2HG MET 6 -4.563 13.772 -6.485 44 HE1 MET 6 3HE MET 6 -6.000 11.959 -4.274 45 HE2 MET 6 1HE MET 6 -7.466 11.158 -4.841 46 HE3 MET 6 2HE MET 6 -5.911 10.780 -5.583 47 H TYR 7 H TYR 7 -7.673 12.456 -10.598 48 HA TYR 7 HA TYR 7 -6.499 13.556 -13.068 49 HB2 TYR 7 1HB TYR 7 -7.667 11.164 -12.984 50 HB3 TYR 7 2HB TYR 7 -9.120 12.141 -13.160 51 HD1 TYR 7 HD1 TYR 7 -8.391 14.240 -14.978 52 HD2 TYR 7 HD2 TYR 7 -7.192 10.158 -15.007 53 HE1 TYR 7 HE1 TYR 7 -8.009 14.376 -17.404 54 HE2 TYR 7 HE2 TYR 7 -6.805 10.282 -17.433 55 HH TYR 7 HH TYR 7 -7.773 13.048 -19.308 56 H ASN 8 H ASN 8 -6.898 15.678 -13.019 57 HA ASN 8 HA ASN 8 -9.418 16.673 -11.942 58 HB2 ASN 8 1HB ASN 8 -6.858 17.646 -11.812 59 HB3 ASN 8 2HB ASN 8 -7.551 18.624 -13.103 60 HD21 ASN 8 1HD2 ASN 8 -7.364 18.091 -9.760 61 HD22 ASN 8 2HD2 ASN 8 -8.502 19.292 -9.263 62 H ILE 9 H ILE 9 -11.081 16.594 -13.312 63 HA ILE 9 HA ILE 9 -10.638 17.506 -16.081 64 HB ILE 9 HB ILE 9 -11.240 15.165 -16.087 65 HG12 ILE 9 1HG1 ILE 9 -13.612 16.871 -16.877 66 HG13 ILE 9 2HG1 ILE 9 -12.170 16.621 -17.855 67 HG21 ILE 9 1HG2 ILE 9 -13.784 15.894 -14.651 68 HG22 ILE 9 2HG2 ILE 9 -13.202 14.283 -15.070 69 HG23 ILE 9 3HG2 ILE 9 -12.363 15.232 -13.843 70 HD11 ILE 9 3HD1 ILE 9 -12.958 14.717 -18.664 71 HD12 ILE 9 1HD1 ILE 9 -13.351 14.113 -17.055 72 HD13 ILE 9 2HD1 ILE 9 -14.500 15.136 -17.918 73 H SER 10 H SER 10 -11.597 19.353 -16.580 74 HA SER 10 HA SER 10 -14.097 20.074 -15.206 75 HB2 SER 10 1HB SER 10 -11.860 21.295 -14.487 76 HB3 SER 10 2HB SER 10 -12.168 22.234 -15.947 77 HG SER 10 HG SER 10 -14.301 21.842 -14.198 78 H MET 11 H MET 11 -15.692 20.464 -16.582 79 HA MET 11 HA MET 11 -15.120 20.750 -19.410 80 HB2 MET 11 1HB MET 11 -17.028 19.365 -18.220 81 HB3 MET 11 2HB MET 11 -17.890 20.896 -18.301 82 HG2 MET 11 1HG MET 11 -16.597 19.972 -20.788 83 HG3 MET 11 2HG MET 11 -17.988 19.050 -20.224 84 HE1 MET 11 3HE MET 11 -19.859 20.922 -22.868 85 HE2 MET 11 1HE MET 11 -18.854 19.523 -22.489 86 HE3 MET 11 2HE MET 11 -20.345 19.807 -21.591 87 H ALA 12 H ALA 12 -15.921 22.459 -20.718 88 HA ALA 12 HA ALA 12 -15.416 25.020 -19.828 89 HB1 ALA 12 3HB ALA 12 -16.125 23.859 -22.238 90 HB2 ALA 12 1HB ALA 12 -17.420 25.014 -21.922 91 HB3 ALA 12 2HB ALA 12 -15.743 25.558 -21.964 92 H GLY 13 H GLY 13 -16.403 26.142 -18.284 93 HA2 GLY 13 1HA GLY 13 -18.128 27.313 -17.266 94 HA3 GLY 13 2HA GLY 13 -19.253 26.579 -18.400 95 H SER 14 H SER 14 -17.019 25.124 -16.047 96 HA SER 14 HA SER 14 -19.069 24.391 -14.218 97 HB2 SER 14 1HB SER 14 -18.292 22.457 -16.348 98 HB3 SER 14 2HB SER 14 -18.524 21.825 -14.718 99 HG SER 14 HG SER 14 -20.617 22.511 -14.748 100 H HIS 15 H HIS 15 -18.209 23.861 -12.283 101 HA HIS 15 HA HIS 15 -15.555 24.334 -11.695 102 HB2 HIS 15 1HB HIS 15 -16.042 22.977 -9.575 103 HB3 HIS 15 2HB HIS 15 -17.065 24.376 -9.886 104 HD1 HIS 15 HD1 HIS 15 -19.372 23.836 -9.213 105 HD2 HIS 15 HD2 HIS 15 -17.494 20.587 -10.996 106 HE1 HIS 15 HE1 HIS 15 -21.104 22.015 -9.285 107 HA PRO 16 HA PRO 16 -13.236 20.778 -12.801 108 HB2 PRO 16 1HB PRO 16 -11.430 20.644 -10.779 109 HB3 PRO 16 2HB PRO 16 -11.376 21.886 -12.034 110 HG2 PRO 16 1HG PRO 16 -12.461 22.054 -9.250 111 HG3 PRO 16 2HG PRO 16 -11.476 23.230 -10.139 112 HD2 PRO 16 1HD PRO 16 -14.158 23.487 -9.866 113 HD3 PRO 16 2HD PRO 16 -13.286 24.054 -11.305 114 H THR 17 H THR 17 -12.979 18.580 -12.400 115 HA THR 17 HA THR 17 -14.358 17.550 -10.006 116 HB THR 17 HB THR 17 -14.340 16.364 -12.788 117 HG1 THR 17 HG1 THR 17 -15.804 18.181 -12.271 118 HG21 THR 17 3HG2 THR 17 -16.204 14.990 -11.310 119 HG22 THR 17 1HG2 THR 17 -14.880 15.194 -10.164 120 HG23 THR 17 2HG2 THR 17 -14.589 14.408 -11.716 121 H THR 18 H THR 18 -13.043 16.501 -8.682 122 HA THR 18 HA THR 18 -10.454 15.576 -9.599 123 HB THR 18 HB THR 18 -11.492 15.134 -6.818 124 HG1 THR 18 HG1 THR 18 -11.925 17.275 -7.039 125 HG21 THR 18 3HG2 THR 18 -8.774 15.754 -7.979 126 HG22 THR 18 1HG2 THR 18 -9.321 14.201 -7.350 127 HG23 THR 18 2HG2 THR 18 -9.117 15.572 -6.259 128 H ILE 19 H ILE 19 -10.438 13.686 -10.650 129 HA ILE 19 HA ILE 19 -12.043 11.469 -9.563 130 HB ILE 19 HB ILE 19 -10.851 11.595 -12.328 131 HG12 ILE 19 1HG1 ILE 19 -13.639 12.364 -11.437 132 HG13 ILE 19 2HG1 ILE 19 -12.413 13.461 -12.063 133 HG21 ILE 19 1HG2 ILE 19 -11.875 9.484 -10.922 134 HG22 ILE 19 2HG2 ILE 19 -13.269 10.031 -11.852 135 HG23 ILE 19 3HG2 ILE 19 -11.776 9.589 -12.680 136 HD11 ILE 19 3HD1 ILE 19 -12.473 12.232 -14.204 137 HD12 ILE 19 1HD1 ILE 19 -13.788 11.248 -13.564 138 HD13 ILE 19 2HD1 ILE 19 -14.010 12.985 -13.782 139 H CYS 20 H CYS 20 -10.821 10.279 -8.242 140 HA CYS 20 HA CYS 20 -7.984 9.934 -8.742 141 HB2 CYS 20 1HB CYS 20 -7.994 8.709 -6.594 142 HB3 CYS 20 2HB CYS 20 -8.702 10.313 -6.450 143 HG CYS 20 HG CYS 20 -9.963 7.496 -5.507 144 H VAL 21 H VAL 21 -7.068 8.214 -9.666 145 HA VAL 21 HA VAL 21 -8.512 5.680 -9.794 146 HB VAL 21 HB VAL 21 -7.356 6.918 -12.291 147 HG11 VAL 21 1HG1 VAL 21 -9.094 4.490 -11.861 148 HG12 VAL 21 2HG1 VAL 21 -8.542 5.101 -13.422 149 HG13 VAL 21 3HG1 VAL 21 -7.375 4.479 -12.254 150 HG21 VAL 21 3HG2 VAL 21 -10.150 6.944 -11.206 151 HG22 VAL 21 1HG2 VAL 21 -9.208 8.271 -11.885 152 HG23 VAL 21 2HG2 VAL 21 -9.848 7.012 -12.942 153 H VAL 22 H VAL 22 -7.198 3.879 -9.991 154 HA VAL 22 HA VAL 22 -4.660 3.955 -8.912 155 HB VAL 22 HB VAL 22 -4.344 1.676 -9.991 156 HG11 VAL 22 1HG1 VAL 22 -6.422 2.509 -8.078 157 HG12 VAL 22 2HG1 VAL 22 -6.586 0.874 -8.723 158 HG13 VAL 22 3HG1 VAL 22 -5.104 1.352 -7.893 159 HG21 VAL 22 3HG2 VAL 22 -7.141 1.384 -10.654 160 HG22 VAL 22 1HG2 VAL 22 -6.361 2.593 -11.674 161 HG23 VAL 22 2HG2 VAL 22 -5.712 0.954 -11.594 162 H MET 23 H MET 23 -2.573 3.448 -9.874 163 HA MET 23 HA MET 23 -2.033 5.117 -12.133 164 HB2 MET 23 1HB MET 23 0.271 4.615 -11.754 165 HB3 MET 23 2HB MET 23 -0.488 4.797 -10.179 166 HG2 MET 23 1HG MET 23 0.633 2.906 -9.732 167 HG3 MET 23 2HG MET 23 -0.763 2.153 -10.501 168 HE1 MET 23 3HE MET 23 2.263 -0.011 -11.585 169 HE2 MET 23 1HE MET 23 2.847 1.212 -10.456 170 HE3 MET 23 2HE MET 23 1.289 0.432 -10.182 171 H ASP 24 H ASP 24 -2.630 1.745 -11.652 172 HA ASP 24 HA ASP 24 -1.442 0.863 -14.109 173 HB2 ASP 24 1HB ASP 24 -3.344 -0.454 -12.168 174 HB3 ASP 24 2HB ASP 24 -2.739 -1.254 -13.615 175 H ARG 25 H ARG 25 -4.507 2.150 -13.150 176 HA ARG 25 HA ARG 25 -5.654 1.467 -15.771 177 HB2 ARG 25 1HB ARG 25 -6.827 0.891 -13.524 178 HB3 ARG 25 2HB ARG 25 -7.229 2.603 -13.482 179 HG2 ARG 25 1HG ARG 25 -8.553 2.456 -15.408 180 HG3 ARG 25 2HG ARG 25 -7.876 0.889 -15.855 181 HD2 ARG 25 1HD ARG 25 -10.148 0.687 -14.949 182 HD3 ARG 25 2HD ARG 25 -8.960 -0.152 -13.952 183 HE ARG 25 HE ARG 25 -9.145 2.272 -12.773 184 HH11 ARG 25 1HH1 ARG 25 -11.506 -0.097 -13.739 185 HH12 ARG 25 2HH1 ARG 25 -12.626 0.317 -12.483 186 HH21 ARG 25 1HH2 ARG 25 -10.611 2.825 -11.116 187 HH22 ARG 25 2HH2 ARG 25 -12.116 1.980 -10.992 188 H PHE 26 H PHE 26 -4.180 3.958 -14.112 189 HA PHE 26 HA PHE 26 -5.592 6.245 -14.726 190 HB2 PHE 26 1HB PHE 26 -3.294 5.869 -13.488 191 HB3 PHE 26 2HB PHE 26 -2.621 6.254 -15.069 192 HD1 PHE 26 HD2 PHE 26 -5.464 7.607 -13.064 193 HD2 PHE 26 HD1 PHE 26 -1.829 8.399 -15.130 194 HE1 PHE 26 HE2 PHE 26 -5.717 10.007 -12.581 195 HE2 PHE 26 HE1 PHE 26 -2.075 10.800 -14.651 196 HZ PHE 26 HZ PHE 26 -4.022 11.607 -13.376 197 H LEU 27 H LEU 27 -3.252 4.515 -16.759 198 HA LEU 27 HA LEU 27 -3.214 6.246 -18.931 199 HB2 LEU 27 1HB LEU 27 -1.667 4.397 -18.705 200 HB3 LEU 27 2HB LEU 27 -2.985 3.241 -18.884 201 HG LEU 27 HG LEU 27 -3.264 3.825 -21.194 202 HD11 LEU 27 1HD1 LEU 27 -1.628 5.464 -22.226 203 HD12 LEU 27 2HD1 LEU 27 -1.293 6.009 -20.583 204 HD13 LEU 27 3HD1 LEU 27 -2.922 6.152 -21.245 205 HD21 LEU 27 3HD2 LEU 27 -1.346 2.851 -22.049 206 HD22 LEU 27 1HD2 LEU 27 -1.317 2.326 -20.365 207 HD23 LEU 27 2HD2 LEU 27 -0.292 3.662 -20.889 208 H GLU 28 H GLU 28 -5.244 3.343 -18.503 209 HA GLU 28 HA GLU 28 -6.746 3.562 -20.818 210 HB2 GLU 28 1HB GLU 28 -6.858 1.591 -19.415 211 HB3 GLU 28 2HB GLU 28 -7.568 2.521 -18.103 212 HG2 GLU 28 1HG GLU 28 -8.952 2.398 -20.741 213 HG3 GLU 28 2HG GLU 28 -9.066 1.040 -19.624 214 H SER 29 H SER 29 -7.388 4.974 -17.624 215 HA SER 29 HA SER 29 -9.849 6.141 -18.155 216 HB2 SER 29 1HB SER 29 -8.804 6.024 -15.908 217 HB3 SER 29 2HB SER 29 -7.656 7.270 -16.398 218 HG SER 29 HG SER 29 -9.191 8.754 -16.298 219 H PHE 30 H PHE 30 -6.604 7.543 -18.552 220 HA PHE 30 HA PHE 30 -7.415 10.043 -19.512 221 HB2 PHE 30 1HB PHE 30 -5.047 9.088 -18.818 222 HB3 PHE 30 2HB PHE 30 -4.906 8.798 -20.549 223 HD1 PHE 30 HD2 PHE 30 -5.718 10.916 -22.004 224 HD2 PHE 30 HD1 PHE 30 -4.179 11.051 -18.038 225 HE1 PHE 30 HE2 PHE 30 -5.059 13.262 -22.343 226 HE2 PHE 30 HE1 PHE 30 -3.518 13.398 -18.370 227 HZ PHE 30 HZ PHE 30 -3.957 14.506 -20.525 228 H SER 31 H SER 31 -6.707 7.028 -21.221 229 HA SER 31 HA SER 31 -6.866 7.979 -23.838 230 HB2 SER 31 1HB SER 31 -6.183 5.635 -22.937 231 HB3 SER 31 2HB SER 31 -7.899 5.256 -23.089 232 HG SER 31 HG SER 31 -6.881 4.708 -25.000 233 H GLU 32 H GLU 32 -9.422 6.617 -21.773 234 HA GLU 32 HA GLU 32 -11.486 6.978 -23.697 235 HB2 GLU 32 1HB GLU 32 -11.669 5.326 -21.899 236 HB3 GLU 32 2HB GLU 32 -11.658 6.612 -20.701 237 HG2 GLU 32 1HG GLU 32 -13.903 5.594 -21.305 238 HG3 GLU 32 2HG GLU 32 -13.787 7.353 -21.300 239 H LEU 33 H LEU 33 -10.167 8.944 -21.118 240 HA LEU 33 HA LEU 33 -12.219 10.844 -20.915 241 HB2 LEU 33 1HB LEU 33 -10.071 10.460 -19.490 242 HB3 LEU 33 2HB LEU 33 -9.341 11.598 -20.621 243 HG LEU 33 HG LEU 33 -10.067 12.679 -18.541 244 HD11 LEU 33 1HD1 LEU 33 -10.366 13.597 -21.072 245 HD12 LEU 33 2HD1 LEU 33 -10.632 14.563 -19.621 246 HD13 LEU 33 3HD1 LEU 33 -11.999 13.808 -20.441 247 HD21 LEU 33 3HD2 LEU 33 -11.995 12.168 -17.573 248 HD22 LEU 33 1HD2 LEU 33 -12.360 11.063 -18.899 249 HD23 LEU 33 2HD2 LEU 33 -12.881 12.746 -18.986 250 H TYR 34 H TYR 34 -9.354 10.729 -22.998 251 HA TYR 34 HA TYR 34 -9.613 13.237 -24.189 252 HB2 TYR 34 1HB TYR 34 -7.594 12.032 -24.539 253 HB3 TYR 34 2HB TYR 34 -8.450 10.646 -25.205 254 HD1 TYR 34 HD1 TYR 34 -8.216 14.316 -25.915 255 HD2 TYR 34 HD2 TYR 34 -8.213 10.357 -27.473 256 HE1 TYR 34 HE1 TYR 34 -7.891 15.215 -28.181 257 HE2 TYR 34 HE2 TYR 34 -7.888 11.244 -29.744 258 HH TYR 34 HH TYR 34 -8.532 14.080 -30.719 259 H ASP 35 H ASP 35 -11.487 10.385 -24.577 260 HA ASP 35 HA ASP 35 -12.608 11.221 -27.127 261 HB2 ASP 35 1HB ASP 35 -12.450 8.754 -25.634 262 HB3 ASP 35 2HB ASP 35 -14.116 9.083 -26.102 263 H ILE 36 H ILE 36 -13.977 10.359 -23.944 264 HA ILE 36 HA ILE 36 -16.525 11.362 -24.351 265 HB ILE 36 HB ILE 36 -15.887 9.986 -22.407 266 HG12 ILE 36 1HG1 ILE 36 -17.060 12.612 -21.487 267 HG13 ILE 36 2HG1 ILE 36 -17.953 11.458 -22.470 268 HG21 ILE 36 1HG2 ILE 36 -14.596 10.741 -20.639 269 HG22 ILE 36 2HG2 ILE 36 -13.767 11.425 -22.036 270 HG23 ILE 36 3HG2 ILE 36 -14.830 12.437 -21.059 271 HD11 ILE 36 3HD1 ILE 36 -18.187 11.478 -19.870 272 HD12 ILE 36 1HD1 ILE 36 -18.156 9.955 -20.760 273 HD13 ILE 36 2HD1 ILE 36 -16.704 10.526 -19.938 274 H ILE 37 H ILE 37 -13.582 13.042 -23.455 275 HA ILE 37 HA ILE 37 -14.625 15.453 -22.547 276 HB ILE 37 HB ILE 37 -12.204 14.788 -22.527 277 HG12 ILE 37 1HG1 ILE 37 -11.586 17.284 -23.455 278 HG13 ILE 37 2HG1 ILE 37 -13.317 17.436 -23.175 279 HG21 ILE 37 1HG2 ILE 37 -10.901 14.747 -24.383 280 HG22 ILE 37 2HG2 ILE 37 -12.439 14.346 -25.144 281 HG23 ILE 37 3HG2 ILE 37 -11.833 16.001 -25.201 282 HD11 ILE 37 3HD1 ILE 37 -11.828 16.161 -20.998 283 HD12 ILE 37 1HD1 ILE 37 -11.412 17.847 -21.305 284 HD13 ILE 37 2HD1 ILE 37 -13.082 17.401 -20.951 285 H ASP 38 H ASP 38 -14.378 14.189 -25.782 286 HA ASP 38 HA ASP 38 -15.423 16.729 -26.846 287 HB2 ASP 38 1HB ASP 38 -13.199 15.624 -27.711 288 HB3 ASP 38 2HB ASP 38 -14.302 14.589 -28.614 289 H GLU 39 H GLU 39 -16.975 14.628 -25.521 290 HA GLU 39 HA GLU 39 -18.635 13.718 -27.777 291 HB2 GLU 39 1HB GLU 39 -18.056 12.544 -25.086 292 HB3 GLU 39 2HB GLU 39 -19.589 12.184 -25.868 293 HG2 GLU 39 1HG GLU 39 -18.317 11.384 -27.849 294 HG3 GLU 39 2HG GLU 39 -16.833 11.604 -26.923 295 H ASN 40 H ASN 40 -18.468 16.028 -25.422 296 HA ASN 40 HA ASN 40 -19.958 17.424 -24.409 297 HB2 ASN 40 1HB ASN 40 -21.922 16.735 -26.578 298 HB3 ASN 40 2HB ASN 40 -21.641 18.287 -25.795 299 HD21 ASN 40 1HD2 ASN 40 -20.118 19.643 -26.587 300 HD22 ASN 40 2HD2 ASN 40 -19.197 19.330 -28.015 301 H ASP 41 H ASP 41 -20.030 14.599 -23.654 302 HA ASP 41 HA ASP 41 -22.849 14.149 -23.031 303 HB2 ASP 41 1HB ASP 41 -20.376 12.445 -22.838 304 HB3 ASP 41 2HB ASP 41 -21.867 11.984 -22.020 305 H THR 42 H THR 42 -23.321 15.620 -21.438 306 HA THR 42 HA THR 42 -21.617 15.866 -19.109 307 HB THR 42 HB THR 42 -23.136 17.563 -18.341 308 HG1 THR 42 HG1 THR 42 -25.146 17.828 -19.178 309 HG21 THR 42 3HG2 THR 42 -22.779 19.158 -19.978 310 HG22 THR 42 1HG2 THR 42 -23.133 18.039 -21.294 311 HG23 THR 42 2HG2 THR 42 -21.602 17.923 -20.425 312 H ASP 43 H ASP 43 -24.922 14.747 -19.798 313 HA ASP 43 HA ASP 43 -25.624 13.979 -17.214 314 HB2 ASP 43 1HB ASP 43 -26.487 13.020 -19.931 315 HB3 ASP 43 2HB ASP 43 -27.136 12.293 -18.464 316 H VAL 44 H VAL 44 -23.567 12.433 -19.547 317 HA VAL 44 HA VAL 44 -23.522 9.914 -18.103 318 HB VAL 44 HB VAL 44 -21.789 10.743 -20.431 319 HG11 VAL 44 1HG1 VAL 44 -20.804 8.851 -19.546 320 HG12 VAL 44 2HG1 VAL 44 -22.344 8.164 -19.026 321 HG13 VAL 44 3HG1 VAL 44 -21.908 8.162 -20.736 322 HG21 VAL 44 3HG2 VAL 44 -23.406 9.570 -21.855 323 HG22 VAL 44 1HG2 VAL 44 -24.451 9.323 -20.457 324 HG23 VAL 44 2HG2 VAL 44 -24.137 10.955 -21.045 325 H MET 45 H MET 45 -21.796 12.876 -18.166 326 HA MET 45 HA MET 45 -19.229 12.151 -17.438 327 HB2 MET 45 1HB MET 45 -20.597 14.517 -17.680 328 HB3 MET 45 2HB MET 45 -20.268 14.459 -15.953 329 HG2 MET 45 1HG MET 45 -17.939 13.749 -17.513 330 HG3 MET 45 2HG MET 45 -18.563 15.339 -17.945 331 HE1 MET 45 3HE MET 45 -15.656 14.465 -16.433 332 HE2 MET 45 1HE MET 45 -15.760 14.527 -14.673 333 HE3 MET 45 2HE MET 45 -16.568 13.234 -15.558 334 H MET 46 H MET 46 -21.979 12.828 -15.273 335 HA MET 46 HA MET 46 -20.747 12.366 -12.847 336 HB2 MET 46 1HB MET 46 -23.032 11.708 -12.030 337 HB3 MET 46 2HB MET 46 -22.965 13.245 -12.882 338 HG2 MET 46 1HG MET 46 -23.739 12.055 -14.932 339 HG3 MET 46 2HG MET 46 -23.969 10.617 -13.940 340 HE1 MET 46 3HE MET 46 -26.365 13.242 -15.506 341 HE2 MET 46 1HE MET 46 -26.405 14.407 -14.183 342 HE3 MET 46 2HE MET 46 -24.871 13.997 -14.950 343 H ASP 47 H ASP 47 -22.301 10.011 -14.999 344 HA ASP 47 HA ASP 47 -21.903 7.764 -13.339 345 HB2 ASP 47 1HB ASP 47 -23.393 8.085 -15.473 346 HB3 ASP 47 2HB ASP 47 -21.958 7.522 -16.324 347 H PHE 48 H PHE 48 -19.972 9.169 -15.949 348 HA PHE 48 HA PHE 48 -18.020 7.162 -16.099 349 HB2 PHE 48 1HB PHE 48 -18.089 8.740 -17.864 350 HB3 PHE 48 2HB PHE 48 -17.967 10.102 -16.756 351 HD1 PHE 48 HD2 PHE 48 -15.836 10.751 -15.810 352 HD2 PHE 48 HD1 PHE 48 -16.140 7.471 -18.505 353 HE1 PHE 48 HE2 PHE 48 -13.396 10.784 -16.120 354 HE2 PHE 48 HE1 PHE 48 -13.699 7.498 -18.819 355 HZ PHE 48 HZ PHE 48 -12.324 9.157 -17.626 356 H ILE 49 H ILE 49 -18.362 9.932 -13.971 357 HA ILE 49 HA ILE 49 -15.750 9.728 -12.831 358 HB ILE 49 HB ILE 49 -18.214 11.103 -11.754 359 HG12 ILE 49 1HG1 ILE 49 -15.863 12.430 -13.080 360 HG13 ILE 49 2HG1 ILE 49 -17.204 11.807 -14.034 361 HG21 ILE 49 1HG2 ILE 49 -15.540 10.717 -10.675 362 HG22 ILE 49 2HG2 ILE 49 -15.999 12.415 -10.781 363 HG23 ILE 49 3HG2 ILE 49 -17.010 11.284 -9.883 364 HD11 ILE 49 3HD1 ILE 49 -18.536 13.507 -13.479 365 HD12 ILE 49 1HD1 ILE 49 -18.021 13.491 -11.792 366 HD13 ILE 49 2HD1 ILE 49 -17.041 14.314 -13.006 367 H SER 50 H SER 50 -19.000 8.801 -11.722 368 HA SER 50 HA SER 50 -18.104 7.633 -9.294 369 HB2 SER 50 1HB SER 50 -20.471 8.437 -9.882 370 HB3 SER 50 2HB SER 50 -20.661 6.893 -10.713 371 HG SER 50 HG SER 50 -20.777 7.440 -8.069 372 H ARG 51 H ARG 51 -18.154 6.554 -12.545 373 HA ARG 51 HA ARG 51 -18.089 3.735 -11.881 374 HB2 ARG 51 1HB ARG 51 -17.979 5.315 -14.428 375 HB3 ARG 51 2HB ARG 51 -17.504 3.622 -14.423 376 HG2 ARG 51 1HG ARG 51 -20.099 4.298 -13.171 377 HG3 ARG 51 2HG ARG 51 -19.987 4.419 -14.928 378 HD2 ARG 51 1HD ARG 51 -19.311 2.131 -15.108 379 HD3 ARG 51 2HD ARG 51 -19.157 1.987 -13.357 380 HE ARG 51 HE ARG 51 -21.798 2.722 -14.141 381 HH11 ARG 51 1HH1 ARG 51 -19.606 0.033 -13.854 382 HH12 ARG 51 2HH1 ARG 51 -20.866 -1.143 -13.674 383 HH21 ARG 51 1HH2 ARG 51 -23.465 1.184 -13.905 384 HH22 ARG 51 2HH2 ARG 51 -23.061 -0.488 -13.704 385 H PHE 52 H PHE 52 -15.842 6.169 -13.161 386 HA PHE 52 HA PHE 52 -13.622 4.334 -13.125 387 HB2 PHE 52 1HB PHE 52 -14.038 7.181 -13.895 388 HB3 PHE 52 2HB PHE 52 -12.401 6.678 -13.484 389 HD1 PHE 52 HD2 PHE 52 -15.261 5.932 -15.716 390 HD2 PHE 52 HD1 PHE 52 -11.084 5.509 -15.019 391 HE1 PHE 52 HE2 PHE 52 -14.979 5.019 -17.983 392 HE2 PHE 52 HE1 PHE 52 -10.794 4.596 -17.286 393 HZ PHE 52 HZ PHE 52 -12.743 4.349 -18.771 394 H ALA 53 H ALA 53 -14.282 7.401 -11.424 395 HA ALA 53 HA ALA 53 -12.182 7.161 -9.577 396 HB1 ALA 53 3HB ALA 53 -14.012 9.095 -10.194 397 HB2 ALA 53 1HB ALA 53 -14.527 8.594 -8.584 398 HB3 ALA 53 2HB ALA 53 -12.876 9.159 -8.846 399 H ARG 54 H ARG 54 -12.079 6.402 -7.484 400 HA ARG 54 HA ARG 54 -14.187 4.498 -6.748 401 HB2 ARG 54 1HB ARG 54 -11.393 4.705 -5.618 402 HB3 ARG 54 2HB ARG 54 -12.538 3.391 -5.382 403 HG2 ARG 54 1HG ARG 54 -11.449 4.140 -8.080 404 HG3 ARG 54 2HG ARG 54 -10.674 2.963 -7.018 405 HD2 ARG 54 1HD ARG 54 -13.496 2.804 -8.072 406 HD3 ARG 54 2HD ARG 54 -12.119 1.880 -8.673 407 HE ARG 54 HE ARG 54 -12.261 1.331 -5.982 408 HH11 ARG 54 1HH1 ARG 54 -14.364 0.998 -8.737 409 HH12 ARG 54 2HH1 ARG 54 -15.184 -0.392 -8.107 410 HH21 ARG 54 1HH2 ARG 54 -13.333 -0.498 -5.142 411 HH22 ARG 54 2HH2 ARG 54 -14.598 -1.242 -6.062 412 H THR 55 H THR 55 -15.624 6.014 -5.839 413 HA THR 55 HA THR 55 -14.808 7.781 -3.737 414 HB THR 55 HB THR 55 -16.686 8.467 -5.045 415 HG1 THR 55 HG1 THR 55 -17.169 9.204 -3.085 416 HG21 THR 55 3HG2 THR 55 -18.747 6.670 -4.305 417 HG22 THR 55 1HG2 THR 55 -17.400 5.707 -4.911 418 HG23 THR 55 2HG2 THR 55 -18.097 6.980 -5.914 419 H ASP 56 H ASP 56 -13.742 5.886 -2.577 420 HA ASP 56 HA ASP 56 -15.691 4.677 -0.725 421 HB2 ASP 56 1HB ASP 56 -13.116 3.521 -1.802 422 HB3 ASP 56 2HB ASP 56 -13.995 2.831 -0.441 423 H GLU 57 H GLU 57 -14.188 3.769 1.255 424 HA GLU 57 HA GLU 57 -12.673 6.116 2.194 425 HB2 GLU 57 1HB GLU 57 -14.315 4.232 3.893 426 HB3 GLU 57 2HB GLU 57 -13.479 5.678 4.439 427 HG2 GLU 57 1HG GLU 57 -15.280 6.301 2.286 428 HG3 GLU 57 2HG GLU 57 -16.122 5.464 3.589 429 H ILE 58 H ILE 58 -11.590 3.836 0.811 430 HA ILE 58 HA ILE 58 -10.062 2.525 2.958 431 HB ILE 58 HB ILE 58 -11.274 0.969 1.501 432 HG12 ILE 58 1HG1 ILE 58 -8.307 0.824 0.945 433 HG13 ILE 58 2HG1 ILE 58 -9.026 0.411 2.497 434 HG21 ILE 58 1HG2 ILE 58 -11.218 2.448 -0.511 435 HG22 ILE 58 2HG2 ILE 58 -9.536 1.975 -0.744 436 HG23 ILE 58 3HG2 ILE 58 -10.813 0.762 -0.834 437 HD11 ILE 58 3HD1 ILE 58 -10.368 -0.981 0.378 438 HD12 ILE 58 1HD1 ILE 58 -8.628 -1.262 0.304 439 HD13 ILE 58 2HD1 ILE 58 -9.518 -1.622 1.784 440 H MET 59 H MET 59 -7.969 2.980 3.178 441 HA MET 59 HA MET 59 -6.289 3.648 0.958 442 HB2 MET 59 1HB MET 59 -7.366 5.783 2.721 443 HB3 MET 59 2HB MET 59 -5.660 5.878 2.305 444 HG2 MET 59 1HG MET 59 -6.466 5.577 -0.123 445 HG3 MET 59 2HG MET 59 -8.046 6.026 0.514 446 HE1 MET 59 3HE MET 59 -8.860 8.294 0.662 447 HE2 MET 59 1HE MET 59 -8.114 8.359 2.258 448 HE3 MET 59 2HE MET 59 -7.909 9.703 1.134 449 HA PRO 60 HA PRO 60 -4.330 1.739 4.748 450 HB2 PRO 60 1HB PRO 60 -3.345 -0.438 3.459 451 HB3 PRO 60 2HB PRO 60 -4.968 -0.388 4.158 452 HG2 PRO 60 1HG PRO 60 -4.117 0.004 1.315 453 HG3 PRO 60 2HG PRO 60 -5.492 -0.916 1.955 454 HD2 PRO 60 1HD PRO 60 -5.760 1.568 0.911 455 HD3 PRO 60 2HD PRO 60 -6.788 0.971 2.230 456 H GLU 61 H GLU 61 -3.067 1.641 1.410 457 HA GLU 61 HA GLU 61 -0.594 2.884 2.399 458 HB2 GLU 61 1HB GLU 61 -0.838 0.497 0.572 459 HB3 GLU 61 2HB GLU 61 0.629 1.459 0.684 460 HG2 GLU 61 1HG GLU 61 -0.620 0.252 3.121 461 HG3 GLU 61 2HG GLU 61 0.455 -0.681 2.081 462 H ASP 62 H ASP 62 -2.918 4.033 1.094 463 HA ASP 62 HA ASP 62 -2.707 4.456 -1.618 464 HB2 ASP 62 1HB ASP 62 -4.045 6.373 -1.329 465 HB3 ASP 62 2HB ASP 62 -4.474 5.329 0.024 466 H LYS 63 H LYS 63 -1.351 5.500 -2.937 467 HA LYS 63 HA LYS 63 0.450 7.534 -1.879 468 HB2 LYS 63 1HB LYS 63 1.714 5.458 -1.625 469 HB3 LYS 63 2HB LYS 63 1.425 5.056 -3.313 470 HG2 LYS 63 1HG LYS 63 2.886 6.681 -4.085 471 HG3 LYS 63 2HG LYS 63 2.819 7.597 -2.577 472 HD2 LYS 63 1HD LYS 63 4.102 5.909 -1.436 473 HD3 LYS 63 2HD LYS 63 4.050 4.856 -2.852 474 HE2 LYS 63 1HE LYS 63 5.335 6.508 -4.122 475 HE3 LYS 63 2HE LYS 63 5.383 7.559 -2.708 476 HZ1 LYS 63 3HZ LYS 63 6.492 4.809 -2.731 477 HZ2 LYS 63 1HZ LYS 63 6.707 5.996 -1.545 478 HZ3 LYS 63 2HZ LYS 63 7.414 6.186 -3.070 479 H THR 64 H THR 64 0.367 9.214 -3.202 480 HA THR 64 HA THR 64 -0.854 9.091 -5.762 481 HB THR 64 HB THR 64 0.869 11.378 -4.834 482 HG1 THR 64 HG1 THR 64 -0.448 11.633 -3.208 483 HG21 THR 64 3HG2 THR 64 -0.792 10.942 -7.057 484 HG22 THR 64 1HG2 THR 64 -0.045 12.459 -6.556 485 HG23 THR 64 2HG2 THR 64 -1.670 12.051 -6.004 486 H VAL 65 H VAL 65 -0.001 8.967 -7.767 487 HA VAL 65 HA VAL 65 2.929 8.703 -7.962 488 HB VAL 65 HB VAL 65 2.418 7.379 -10.069 489 HG11 VAL 65 1HG1 VAL 65 2.251 5.344 -8.894 490 HG12 VAL 65 2HG1 VAL 65 3.062 6.457 -7.790 491 HG13 VAL 65 3HG1 VAL 65 1.351 6.088 -7.573 492 HG21 VAL 65 3HG2 VAL 65 -0.174 8.229 -9.561 493 HG22 VAL 65 1HG2 VAL 65 0.324 7.009 -10.734 494 HG23 VAL 65 2HG2 VAL 65 -0.180 6.523 -9.115 495 H GLY 66 H GLY 66 0.150 10.403 -9.052 496 HA2 GLY 66 1HA GLY 66 1.593 12.444 -10.294 497 HA3 GLY 66 2HA GLY 66 1.092 11.325 -11.552 498 H PHE 67 H PHE 67 0.274 14.033 -11.358 499 HA PHE 67 HA PHE 67 -2.618 13.631 -11.031 500 HB2 PHE 67 1HB PHE 67 -2.876 15.819 -10.031 501 HB3 PHE 67 2HB PHE 67 -1.713 14.895 -9.086 502 HD1 PHE 67 HD2 PHE 67 -2.183 17.725 -11.348 503 HD2 PHE 67 HD1 PHE 67 0.623 15.504 -9.044 504 HE1 PHE 67 HE2 PHE 67 -0.548 19.548 -11.589 505 HE2 PHE 67 HE1 PHE 67 2.262 17.324 -9.281 506 HZ PHE 67 HZ PHE 67 1.678 19.348 -10.555 507 H VAL 68 H VAL 68 -3.920 14.670 -12.512 508 HA VAL 68 HA VAL 68 -2.517 16.071 -14.695 509 HB VAL 68 HB VAL 68 -4.933 14.270 -14.921 510 HG11 VAL 68 1HG1 VAL 68 -4.718 14.617 -17.334 511 HG12 VAL 68 2HG1 VAL 68 -5.034 16.134 -16.491 512 HG13 VAL 68 3HG1 VAL 68 -3.405 15.760 -17.054 513 HG21 VAL 68 3HG2 VAL 68 -2.027 13.900 -15.548 514 HG22 VAL 68 1HG2 VAL 68 -3.126 12.829 -14.678 515 HG23 VAL 68 2HG2 VAL 68 -3.263 12.999 -16.428 516 H VAL 69 H VAL 69 -3.361 17.958 -15.426 517 HA VAL 69 HA VAL 69 -5.800 18.927 -14.082 518 HB VAL 69 HB VAL 69 -3.476 20.551 -15.127 519 HG11 VAL 69 1HG1 VAL 69 -6.183 21.255 -14.197 520 HG12 VAL 69 2HG1 VAL 69 -4.865 22.234 -13.551 521 HG13 VAL 69 3HG1 VAL 69 -5.100 22.110 -15.295 522 HG21 VAL 69 3HG2 VAL 69 -2.811 19.399 -13.138 523 HG22 VAL 69 1HG2 VAL 69 -3.140 21.078 -12.708 524 HG23 VAL 69 2HG2 VAL 69 -4.318 19.823 -12.326 525 H VAL 70 H VAL 70 -7.501 19.276 -15.338 526 HA VAL 70 HA VAL 70 -7.077 20.029 -18.146 527 HB VAL 70 HB VAL 70 -9.034 17.933 -17.193 528 HG11 VAL 70 1HG1 VAL 70 -9.082 19.650 -19.484 529 HG12 VAL 70 2HG1 VAL 70 -8.867 17.976 -20.000 530 HG13 VAL 70 3HG1 VAL 70 -10.244 18.420 -18.990 531 HG21 VAL 70 3HG2 VAL 70 -7.735 16.414 -18.626 532 HG22 VAL 70 1HG2 VAL 70 -6.599 17.720 -18.962 533 HG23 VAL 70 2HG2 VAL 70 -6.757 17.089 -17.323 534 H ASN 71 H ASN 71 -7.896 22.015 -18.283 535 HA ASN 71 HA ASN 71 -10.528 22.519 -17.056 536 HB2 ASN 71 1HB ASN 71 -8.147 24.357 -17.307 537 HB3 ASN 71 2HB ASN 71 -9.768 24.943 -16.946 538 HD21 ASN 71 1HD2 ASN 71 -7.576 25.296 -15.260 539 HD22 ASN 71 2HD2 ASN 71 -7.853 24.408 -13.804 540 H ALA 72 H ALA 72 -11.761 22.123 -18.857 541 HA ALA 72 HA ALA 72 -11.134 23.058 -21.459 542 HB1 ALA 72 3HB ALA 72 -13.765 22.168 -20.286 543 HB2 ALA 72 1HB ALA 72 -13.464 22.450 -22.001 544 HB3 ALA 72 2HB ALA 72 -12.602 21.166 -21.153 545 H ASP 73 H ASP 73 -12.633 24.518 -18.712 546 HA ASP 73 HA ASP 73 -14.103 26.536 -20.055 547 HB2 ASP 73 1HB ASP 73 -14.199 27.645 -17.870 548 HB3 ASP 73 2HB ASP 73 -14.549 25.925 -17.720 549 H LYS 74 H LYS 74 -10.842 26.435 -18.674 550 HA LYS 74 HA LYS 74 -10.299 29.100 -19.760 551 HB2 LYS 74 1HB LYS 74 -8.444 27.430 -18.070 552 HB3 LYS 74 2HB LYS 74 -8.383 29.165 -18.350 553 HG2 LYS 74 1HG LYS 74 -10.701 29.188 -17.202 554 HG3 LYS 74 2HG LYS 74 -10.227 27.599 -16.597 555 HD2 LYS 74 1HD LYS 74 -9.462 28.959 -14.907 556 HD3 LYS 74 2HD LYS 74 -8.024 28.851 -15.925 557 HE2 LYS 74 1HE LYS 74 -9.990 31.041 -16.410 558 HE3 LYS 74 2HE LYS 74 -8.885 31.170 -15.042 559 HZ1 LYS 74 3HZ LYS 74 -7.645 32.146 -16.662 560 HZ2 LYS 74 1HZ LYS 74 -8.307 31.217 -17.911 561 HZ3 LYS 74 2HZ LYS 74 -7.144 30.545 -16.883 562 H LYS 75 H LYS 75 -10.185 26.025 -20.833 563 HA LYS 75 HA LYS 75 -9.089 24.928 -22.499 564 HB2 LYS 75 1HB LYS 75 -8.210 27.706 -23.308 565 HB3 LYS 75 2HB LYS 75 -8.220 26.278 -24.334 566 HG2 LYS 75 1HG LYS 75 -10.751 26.214 -23.820 567 HG3 LYS 75 2HG LYS 75 -10.524 27.893 -23.325 568 HD2 LYS 75 1HD LYS 75 -9.552 26.892 -25.984 569 HD3 LYS 75 2HD LYS 75 -11.215 27.436 -25.755 570 HE2 LYS 75 1HE LYS 75 -8.814 29.108 -25.042 571 HE3 LYS 75 2HE LYS 75 -9.596 29.168 -26.621 572 HZ1 LYS 75 3HZ LYS 75 -11.708 29.643 -25.315 573 HZ2 LYS 75 1HZ LYS 75 -10.565 30.887 -25.410 574 HZ3 LYS 75 2HZ LYS 75 -10.698 29.966 -23.997 575 H LEU 76 H LEU 76 -7.737 24.706 -20.221 576 HA LEU 76 HA LEU 76 -4.928 24.987 -21.054 577 HB2 LEU 76 1HB LEU 76 -5.774 25.113 -18.181 578 HB3 LEU 76 2HB LEU 76 -4.240 25.598 -18.902 579 HG LEU 76 HG LEU 76 -6.854 27.048 -19.313 580 HD11 LEU 76 1HD1 LEU 76 -6.062 27.117 -16.965 581 HD12 LEU 76 2HD1 LEU 76 -6.051 28.692 -17.757 582 HD13 LEU 76 3HD1 LEU 76 -4.542 27.807 -17.535 583 HD21 LEU 76 3HD2 LEU 76 -4.187 28.268 -19.769 584 HD22 LEU 76 1HD2 LEU 76 -5.724 28.562 -20.583 585 HD23 LEU 76 2HD2 LEU 76 -4.784 27.120 -20.969 586 H MET 77 H MET 77 -3.905 23.107 -21.181 587 HA MET 77 HA MET 77 -4.953 20.837 -19.620 588 HB2 MET 77 1HB MET 77 -3.459 20.655 -22.237 589 HB3 MET 77 2HB MET 77 -4.292 19.358 -21.390 590 HG2 MET 77 1HG MET 77 -5.624 21.771 -22.596 591 HG3 MET 77 2HG MET 77 -5.527 20.180 -23.346 592 HE1 MET 77 3HE MET 77 -8.921 21.671 -21.216 593 HE2 MET 77 1HE MET 77 -7.632 22.440 -22.142 594 HE3 MET 77 2HE MET 77 -8.694 21.264 -22.917 595 H SER 78 H SER 78 -3.599 19.829 -18.269 596 HA SER 78 HA SER 78 -0.710 20.132 -18.625 597 HB2 SER 78 1HB SER 78 -0.537 21.597 -16.936 598 HB3 SER 78 2HB SER 78 -2.262 21.471 -16.594 599 HG SER 78 HG SER 78 -0.250 20.538 -15.157 600 H VAL 79 H VAL 79 0.547 18.560 -17.481 601 HA VAL 79 HA VAL 79 -0.895 16.348 -16.242 602 HB VAL 79 HB VAL 79 1.104 15.348 -18.114 603 HG11 VAL 79 1HG1 VAL 79 -1.819 14.697 -17.750 604 HG12 VAL 79 2HG1 VAL 79 -0.613 13.707 -18.574 605 HG13 VAL 79 3HG1 VAL 79 -0.498 13.973 -16.834 606 HG21 VAL 79 3HG2 VAL 79 -0.318 15.633 -20.125 607 HG22 VAL 79 1HG2 VAL 79 -1.332 16.748 -19.209 608 HG23 VAL 79 2HG2 VAL 79 0.355 17.150 -19.529 609 H SER 80 H SER 80 0.249 15.348 -14.671 610 HA SER 80 HA SER 80 3.131 15.883 -14.486 611 HB2 SER 80 1HB SER 80 1.101 16.246 -12.271 612 HB3 SER 80 2HB SER 80 2.846 16.221 -12.015 613 HG SER 80 HG SER 80 2.937 18.004 -13.532 614 H PHE 81 H PHE 81 3.756 13.827 -14.972 615 HA PHE 81 HA PHE 81 2.649 11.638 -13.357 616 HB2 PHE 81 1HB PHE 81 3.933 11.776 -16.053 617 HB3 PHE 81 2HB PHE 81 4.071 10.285 -15.127 618 HD1 PHE 81 HD1 PHE 81 1.310 12.738 -15.667 619 HD2 PHE 81 HD2 PHE 81 2.623 8.697 -15.919 620 HE1 PHE 81 HE1 PHE 81 -0.928 12.063 -16.432 621 HE2 PHE 81 HE2 PHE 81 0.387 8.015 -16.686 622 HZ PHE 81 HZ PHE 81 -1.392 9.699 -16.944 623 H SER 82 H SER 82 3.877 10.515 -11.952 624 HA SER 82 HA SER 82 6.774 11.000 -11.922 625 HB2 SER 82 1HB SER 82 5.802 12.496 -10.250 626 HB3 SER 82 2HB SER 82 4.947 11.142 -9.510 627 HG SER 82 HG SER 82 6.687 11.002 -8.336 628 H ASP 83 H ASP 83 7.990 9.240 -11.522 629 HA ASP 83 HA ASP 83 8.566 7.066 -11.181 630 HB2 ASP 83 1HB ASP 83 6.096 6.709 -9.502 631 HB3 ASP 83 2HB ASP 83 7.673 5.946 -9.319 632 H ILE 84 H ILE 84 7.734 7.128 -13.540 633 HA ILE 84 HA ILE 84 5.815 4.922 -13.824 634 HB ILE 84 HB ILE 84 4.945 6.026 -15.904 635 HG12 ILE 84 1HG1 ILE 84 5.798 8.671 -14.861 636 HG13 ILE 84 2HG1 ILE 84 7.029 7.715 -15.679 637 HG21 ILE 84 1HG2 ILE 84 4.241 6.401 -13.220 638 HG22 ILE 84 2HG2 ILE 84 4.095 7.984 -13.982 639 HG23 ILE 84 3HG2 ILE 84 3.214 6.605 -14.639 640 HD11 ILE 84 3HD1 ILE 84 4.922 9.285 -16.791 641 HD12 ILE 84 1HD1 ILE 84 6.250 8.460 -17.606 642 HD13 ILE 84 2HD1 ILE 84 4.739 7.605 -17.296 643 H ASP 85 H ASP 85 5.892 4.021 -16.118 644 HA ASP 85 HA ASP 85 8.642 3.421 -16.728 645 HB2 ASP 85 1HB ASP 85 6.722 1.756 -16.782 646 HB3 ASP 85 2HB ASP 85 6.212 2.531 -18.279 647 H GLU 86 H GLU 86 9.511 3.530 -18.929 648 HA GLU 86 HA GLU 86 9.160 6.145 -20.028 649 HB2 GLU 86 1HB GLU 86 10.865 5.430 -21.673 650 HB3 GLU 86 2HB GLU 86 11.360 5.134 -20.012 651 HG2 GLU 86 1HG GLU 86 10.258 2.762 -20.557 652 HG3 GLU 86 2HG GLU 86 10.757 3.228 -22.182 653 H ASN 87 H ASN 87 8.337 2.867 -21.074 654 HA ASN 87 HA ASN 87 7.410 3.494 -23.641 655 HB2 ASN 87 1HB ASN 87 6.650 1.273 -21.739 656 HB3 ASN 87 2HB ASN 87 6.064 1.365 -23.397 657 HD21 ASN 87 1HD2 ASN 87 7.060 -0.404 -24.198 658 HD22 ASN 87 2HD2 ASN 87 8.775 -0.581 -24.313 659 H MET 88 H MET 88 5.702 3.354 -20.536 660 HA MET 88 HA MET 88 3.128 3.879 -21.532 661 HB2 MET 88 1HB MET 88 4.114 3.237 -19.098 662 HB3 MET 88 2HB MET 88 3.800 4.951 -18.857 663 HG2 MET 88 1HG MET 88 1.501 4.695 -19.295 664 HG3 MET 88 2HG MET 88 1.730 3.075 -19.949 665 HE1 MET 88 3HE MET 88 -0.293 2.555 -18.659 666 HE2 MET 88 1HE MET 88 0.612 1.101 -18.237 667 HE3 MET 88 2HE MET 88 -0.274 1.980 -16.991 668 H LYS 89 H LYS 89 5.799 5.981 -20.699 669 HA LYS 89 HA LYS 89 4.432 8.424 -20.570 670 HB2 LYS 89 1HB LYS 89 6.945 7.763 -20.084 671 HB3 LYS 89 2HB LYS 89 7.177 8.300 -21.743 672 HG2 LYS 89 1HG LYS 89 6.560 10.491 -21.250 673 HG3 LYS 89 2HG LYS 89 5.773 10.027 -19.739 674 HD2 LYS 89 1HD LYS 89 7.730 10.931 -18.943 675 HD3 LYS 89 2HD LYS 89 8.192 9.233 -19.093 676 HE2 LYS 89 1HE LYS 89 8.601 11.003 -21.444 677 HE3 LYS 89 2HE LYS 89 9.687 11.197 -20.069 678 HZ1 LYS 89 3HZ LYS 89 9.615 8.516 -20.416 679 HZ2 LYS 89 1HZ LYS 89 10.827 9.542 -21.002 680 HZ3 LYS 89 2HZ LYS 89 9.548 9.081 -22.009 681 H LYS 90 H LYS 90 5.336 6.444 -23.261 682 HA LYS 90 HA LYS 90 5.209 8.448 -25.275 683 HB2 LYS 90 1HB LYS 90 4.869 5.450 -25.474 684 HB3 LYS 90 2HB LYS 90 5.064 6.535 -26.844 685 HG2 LYS 90 1HG LYS 90 7.249 7.230 -25.537 686 HG3 LYS 90 2HG LYS 90 7.060 5.615 -24.849 687 HD2 LYS 90 1HD LYS 90 8.435 5.321 -26.734 688 HD3 LYS 90 2HD LYS 90 6.831 4.796 -27.252 689 HE2 LYS 90 1HE LYS 90 7.695 6.131 -29.004 690 HE3 LYS 90 2HE LYS 90 6.499 7.121 -28.170 691 HZ1 LYS 90 3HZ LYS 90 8.999 7.528 -26.966 692 HZ2 LYS 90 1HZ LYS 90 8.048 8.641 -27.815 693 HZ3 LYS 90 2HZ LYS 90 9.188 7.702 -28.638 694 H VAL 91 H VAL 91 2.916 5.875 -24.352 695 HA VAL 91 HA VAL 91 0.830 6.781 -26.029 696 HB VAL 91 HB VAL 91 0.847 4.500 -25.205 697 HG11 VAL 91 1HG1 VAL 91 0.418 3.953 -22.880 698 HG12 VAL 91 2HG1 VAL 91 1.866 4.954 -23.012 699 HG13 VAL 91 3HG1 VAL 91 0.347 5.667 -22.469 700 HG21 VAL 91 3HG2 VAL 91 -1.487 4.326 -24.460 701 HG22 VAL 91 1HG2 VAL 91 -1.510 6.063 -24.154 702 HG23 VAL 91 2HG2 VAL 91 -1.309 5.460 -25.799 703 H ILE 92 H ILE 92 1.676 7.454 -22.676 704 HA ILE 92 HA ILE 92 -0.697 8.849 -22.007 705 HB ILE 92 HB ILE 92 2.069 9.043 -20.809 706 HG12 ILE 92 1HG1 ILE 92 -0.326 7.665 -19.619 707 HG13 ILE 92 2HG1 ILE 92 0.717 6.832 -20.767 708 HG21 ILE 92 1HG2 ILE 92 0.838 11.048 -20.290 709 HG22 ILE 92 2HG2 ILE 92 -0.568 10.102 -19.805 710 HG23 ILE 92 3HG2 ILE 92 0.914 10.028 -18.853 711 HD11 ILE 92 3HD1 ILE 92 2.436 6.674 -19.297 712 HD12 ILE 92 1HD1 ILE 92 2.007 8.165 -18.459 713 HD13 ILE 92 2HD1 ILE 92 1.091 6.689 -18.157 714 H LYS 93 H LYS 93 2.527 9.985 -22.999 715 HA LYS 93 HA LYS 93 1.921 12.730 -22.971 716 HB2 LYS 93 1HB LYS 93 4.217 11.902 -23.016 717 HB3 LYS 93 2HB LYS 93 3.960 11.221 -24.617 718 HG2 LYS 93 1HG LYS 93 3.763 13.385 -25.591 719 HG3 LYS 93 2HG LYS 93 3.736 14.157 -24.003 720 HD2 LYS 93 1HD LYS 93 5.927 14.494 -24.598 721 HD3 LYS 93 2HD LYS 93 6.060 12.959 -23.737 722 HE2 LYS 93 1HE LYS 93 5.634 13.086 -26.708 723 HE3 LYS 93 2HE LYS 93 7.245 13.161 -25.995 724 HZ1 LYS 93 3HZ LYS 93 6.373 11.030 -24.761 725 HZ2 LYS 93 1HZ LYS 93 7.048 10.933 -26.309 726 HZ3 LYS 93 2HZ LYS 93 5.368 10.920 -26.117 727 H ALA 94 H ALA 94 1.686 10.297 -25.525 728 HA ALA 94 HA ALA 94 1.023 12.044 -27.630 729 HB1 ALA 94 3HB ALA 94 0.407 10.120 -28.859 730 HB2 ALA 94 1HB ALA 94 1.743 9.632 -27.816 731 HB3 ALA 94 2HB ALA 94 0.087 9.195 -27.391 732 H THR 95 H THR 95 -1.049 10.115 -25.472 733 HA THR 95 HA THR 95 -3.508 10.933 -26.545 734 HB THR 95 HB THR 95 -2.941 10.121 -23.687 735 HG1 THR 95 HG1 THR 95 -3.417 8.637 -26.056 736 HG21 THR 95 3HG2 THR 95 -5.490 10.078 -25.307 737 HG22 THR 95 1HG2 THR 95 -5.135 11.149 -23.952 738 HG23 THR 95 2HG2 THR 95 -5.300 9.414 -23.685 739 H ALA 96 H ALA 96 -1.509 12.310 -23.977 740 HA ALA 96 HA ALA 96 -3.394 14.313 -23.224 741 HB1 ALA 96 3HB ALA 96 -0.502 13.825 -22.643 742 HB2 ALA 96 1HB ALA 96 -1.256 15.352 -22.186 743 HB3 ALA 96 2HB ALA 96 -1.880 13.832 -21.543 744 H GLU 97 H GLU 97 -0.861 14.093 -25.612 745 HA GLU 97 HA GLU 97 -0.714 16.906 -26.133 746 HB2 GLU 97 1HB GLU 97 1.214 15.600 -26.655 747 HB3 GLU 97 2HB GLU 97 0.273 14.483 -27.634 748 HG2 GLU 97 1HG GLU 97 -0.020 16.088 -29.348 749 HG3 GLU 97 2HG GLU 97 0.603 17.386 -28.330 750 H LYS 98 H LYS 98 -2.509 14.192 -27.443 751 HA LYS 98 HA LYS 98 -3.458 15.318 -29.804 752 HB2 LYS 98 1HB LYS 98 -3.834 12.947 -28.488 753 HB3 LYS 98 2HB LYS 98 -5.421 13.691 -28.341 754 HG2 LYS 98 1HG LYS 98 -5.629 12.509 -30.299 755 HG3 LYS 98 2HG LYS 98 -5.174 14.108 -30.892 756 HD2 LYS 98 1HD LYS 98 -2.986 12.196 -30.291 757 HD3 LYS 98 2HD LYS 98 -3.971 11.880 -31.721 758 HE2 LYS 98 1HE LYS 98 -3.523 14.488 -32.085 759 HE3 LYS 98 2HE LYS 98 -2.078 14.089 -31.158 760 HZ1 LYS 98 3HZ LYS 98 -1.309 13.597 -33.207 761 HZ2 LYS 98 1HZ LYS 98 -2.841 13.276 -33.847 762 HZ3 LYS 98 2HZ LYS 98 -2.057 12.110 -32.907 763 H PHE 99 H PHE 99 -4.344 15.935 -26.508 764 HA PHE 99 HA PHE 99 -6.893 17.006 -26.812 765 HB2 PHE 99 1HB PHE 99 -4.697 17.309 -24.839 766 HB3 PHE 99 2HB PHE 99 -5.945 18.551 -24.826 767 HD1 PHE 99 HD2 PHE 99 -5.407 14.892 -24.604 768 HD2 PHE 99 HD1 PHE 99 -8.007 18.166 -23.804 769 HE1 PHE 99 HE2 PHE 99 -6.860 13.410 -23.283 770 HE2 PHE 99 HE1 PHE 99 -9.464 16.689 -22.481 771 HZ PHE 99 HZ PHE 99 -8.892 14.308 -22.220 772 H LYS 100 H LYS 100 -3.834 18.253 -27.784 773 HA LYS 100 HA LYS 100 -4.186 20.979 -27.800 774 HB2 LYS 100 1HB LYS 100 -2.573 21.083 -29.563 775 HB3 LYS 100 2HB LYS 100 -2.136 19.731 -28.527 776 HG2 LYS 100 1HG LYS 100 -2.992 18.155 -30.104 777 HG3 LYS 100 2HG LYS 100 -3.684 19.445 -31.092 778 HD2 LYS 100 1HD LYS 100 -1.609 18.608 -32.068 779 HD3 LYS 100 2HD LYS 100 -1.437 20.290 -31.563 780 HE2 LYS 100 1HE LYS 100 0.098 19.792 -29.992 781 HE3 LYS 100 2HE LYS 100 -0.718 18.300 -29.524 782 HZ1 LYS 100 3HZ LYS 100 0.337 17.107 -31.187 783 HZ2 LYS 100 1HZ LYS 100 1.561 18.146 -30.651 784 HZ3 LYS 100 2HZ LYS 100 0.733 18.484 -32.086 785 H ASN 101 H ASN 101 -5.668 18.583 -29.860 786 HA ASN 101 HA ASN 101 -6.537 20.104 -31.992 787 HB2 ASN 101 1HB ASN 101 -7.856 17.798 -30.558 788 HB3 ASN 101 2HB ASN 101 -8.519 18.502 -32.030 789 HD21 ASN 101 1HD2 ASN 101 -6.941 15.945 -31.037 790 HD22 ASN 101 2HD2 ASN 101 -5.893 15.642 -32.377 791 H LYS 102 H LYS 102 -7.698 20.051 -28.706 792 HA LYS 102 HA LYS 102 -9.743 22.048 -29.429 793 HB2 LYS 102 1HB LYS 102 -9.727 19.950 -27.265 794 HB3 LYS 102 2HB LYS 102 -10.821 21.327 -27.223 795 HG2 LYS 102 1HG LYS 102 -11.449 20.530 -29.629 796 HG3 LYS 102 2HG LYS 102 -10.777 18.994 -29.076 797 HD2 LYS 102 1HD LYS 102 -12.910 20.531 -27.599 798 HD3 LYS 102 2HD LYS 102 -13.247 19.231 -28.745 799 HE2 LYS 102 1HE LYS 102 -12.413 17.606 -27.353 800 HE3 LYS 102 2HE LYS 102 -11.332 18.722 -26.521 801 HZ1 LYS 102 3HZ LYS 102 -13.948 19.555 -26.036 802 HZ2 LYS 102 1HZ LYS 102 -12.839 18.913 -24.932 803 HZ3 LYS 102 2HZ LYS 102 -13.900 17.887 -25.758 804 H GLY 103 H GLY 103 -6.962 21.327 -27.529 805 HA2 GLY 103 1HA GLY 103 -7.003 24.069 -26.491 806 HA3 GLY 103 2HA GLY 103 -6.824 22.753 -25.340 807 H PHE 104 H PHE 104 -5.329 24.434 -28.032 808 HA PHE 104 HA PHE 104 -2.996 23.002 -28.348 809 HB2 PHE 104 1HB PHE 104 -3.809 25.810 -28.780 810 HB3 PHE 104 2HB PHE 104 -2.074 25.537 -28.652 811 HD1 PHE 104 HD1 PHE 104 -5.114 24.595 -30.524 812 HD2 PHE 104 HD2 PHE 104 -0.860 24.558 -30.416 813 HE1 PHE 104 HE1 PHE 104 -5.064 23.858 -32.871 814 HE2 PHE 104 HE2 PHE 104 -0.803 23.822 -32.763 815 HZ PHE 104 HZ PHE 104 -2.906 23.472 -33.994 816 H LYS 105 H LYS 105 -3.937 25.099 -25.738 817 HA LYS 105 HA LYS 105 -1.332 25.429 -24.620 818 HB2 LYS 105 1HB LYS 105 -3.528 26.807 -24.240 819 HB3 LYS 105 2HB LYS 105 -3.840 25.610 -22.989 820 HG2 LYS 105 1HG LYS 105 -2.161 26.361 -21.651 821 HG3 LYS 105 2HG LYS 105 -1.180 26.922 -23.007 822 HD2 LYS 105 1HD LYS 105 -3.770 28.288 -22.457 823 HD3 LYS 105 2HD LYS 105 -2.397 28.623 -21.399 824 HE2 LYS 105 1HE LYS 105 -2.183 30.254 -23.027 825 HE3 LYS 105 2HE LYS 105 -1.100 28.991 -23.611 826 HZ1 LYS 105 3HZ LYS 105 -3.891 28.982 -24.513 827 HZ2 LYS 105 1HZ LYS 105 -2.499 28.447 -25.313 828 HZ3 LYS 105 2HZ LYS 105 -2.824 30.102 -25.197 829 H VAL 106 H VAL 106 -0.653 23.170 -24.730 830 HA VAL 106 HA VAL 106 -1.690 21.582 -22.472 831 HB VAL 106 HB VAL 106 -0.381 20.580 -25.005 832 HG11 VAL 106 1HG1 VAL 106 -1.491 18.410 -23.802 833 HG12 VAL 106 2HG1 VAL 106 0.209 18.868 -23.676 834 HG13 VAL 106 3HG1 VAL 106 -0.927 19.330 -22.408 835 HG21 VAL 106 3HG2 VAL 106 -2.839 19.422 -24.878 836 HG22 VAL 106 1HG2 VAL 106 -3.168 21.019 -24.206 837 HG23 VAL 106 2HG2 VAL 106 -2.458 20.868 -25.813 838 H GLU 107 H GLU 107 -0.248 20.658 -21.052 839 HA GLU 107 HA GLU 107 2.610 21.132 -21.489 840 HB2 GLU 107 1HB GLU 107 0.940 22.180 -19.241 841 HB3 GLU 107 2HB GLU 107 2.607 21.719 -18.921 842 HG2 GLU 107 1HG GLU 107 1.823 23.643 -21.091 843 HG3 GLU 107 2HG GLU 107 2.214 24.143 -19.447 844 H THR 108 H THR 108 3.447 19.154 -21.463 845 HA THR 108 HA THR 108 2.412 17.196 -19.529 846 HB THR 108 HB THR 108 3.300 15.455 -20.915 847 HG1 THR 108 HG1 THR 108 4.699 17.579 -22.096 848 HG21 THR 108 3HG2 THR 108 1.657 15.571 -22.439 849 HG22 THR 108 1HG2 THR 108 2.305 17.046 -23.155 850 HG23 THR 108 2HG2 THR 108 1.282 17.137 -21.722 851 H ASP 109 H ASP 109 3.583 16.841 -17.772 852 HA ASP 109 HA ASP 109 6.163 17.930 -17.377 853 HB2 ASP 109 1HB ASP 109 4.579 17.521 -15.533 854 HB3 ASP 109 2HB ASP 109 4.740 15.785 -15.786 855 H MET 110 H MET 110 8.142 17.124 -17.718 856 HA MET 110 HA MET 110 8.488 14.793 -19.291 857 HB2 MET 110 1HB MET 110 9.976 16.931 -19.063 858 HB3 MET 110 2HB MET 110 10.736 16.041 -17.751 859 HG2 MET 110 1HG MET 110 12.088 15.411 -19.454 860 HG3 MET 110 2HG MET 110 10.866 14.147 -19.581 861 HE1 MET 110 3HE MET 110 12.650 16.212 -22.675 862 HE2 MET 110 1HE MET 110 11.982 17.650 -21.902 863 HE3 MET 110 2HE MET 110 12.922 16.497 -20.955 Start of MODEL 15 1 H MET 1 H MET 1 0.949 -0.954 -0.116 2 HA MET 1 HA MET 1 -1.049 1.051 0.656 3 HB2 MET 1 1HB MET 1 0.340 2.857 -0.215 4 HB3 MET 1 2HB MET 1 1.166 2.021 1.093 5 HG2 MET 1 1HG MET 1 1.700 1.143 -1.691 6 HG3 MET 1 2HG MET 1 2.394 2.668 -1.144 7 HE1 MET 1 3HE MET 1 3.311 -0.086 -2.209 8 HE2 MET 1 1HE MET 1 4.892 -0.279 -1.449 9 HE3 MET 1 2HE MET 1 3.561 -1.344 -0.997 10 H THR 2 H THR 2 -1.894 2.275 -1.198 11 HA THR 2 HA THR 2 -1.882 0.621 -3.635 12 HB THR 2 HB THR 2 -4.052 2.558 -2.831 13 HG1 THR 2 HG1 THR 2 -3.906 0.886 -1.271 14 HG21 THR 2 3HG2 THR 2 -3.552 0.808 -5.106 15 HG22 THR 2 1HG2 THR 2 -4.695 2.139 -4.936 16 HG23 THR 2 2HG2 THR 2 -5.126 0.528 -4.362 17 H LEU 3 H LEU 3 -0.707 1.482 -5.211 18 HA LEU 3 HA LEU 3 -0.099 4.293 -5.291 19 HB2 LEU 3 1HB LEU 3 0.642 1.915 -6.946 20 HB3 LEU 3 2HB LEU 3 0.975 3.543 -7.535 21 HG LEU 3 HG LEU 3 2.952 2.598 -6.511 22 HD11 LEU 3 1HD1 LEU 3 2.605 4.382 -4.349 23 HD12 LEU 3 2HD1 LEU 3 1.704 5.032 -5.719 24 HD13 LEU 3 3HD1 LEU 3 3.422 4.669 -5.886 25 HD21 LEU 3 3HD2 LEU 3 1.865 2.588 -3.780 26 HD22 LEU 3 1HD2 LEU 3 3.009 1.492 -4.555 27 HD23 LEU 3 2HD2 LEU 3 1.278 1.296 -4.828 28 H CYS 4 H CYS 4 -1.643 5.656 -5.933 29 HA CYS 4 HA CYS 4 -3.028 5.066 -8.460 30 HB2 CYS 4 1HB CYS 4 -5.019 6.299 -7.471 31 HB3 CYS 4 2HB CYS 4 -4.703 4.693 -6.823 32 HG CYS 4 HG CYS 4 -4.105 7.695 -5.310 33 H ALA 5 H ALA 5 -4.110 7.149 -9.312 34 HA ALA 5 HA ALA 5 -2.334 9.450 -8.830 35 HB1 ALA 5 3HB ALA 5 -3.103 8.171 -11.417 36 HB2 ALA 5 1HB ALA 5 -2.761 9.901 -11.359 37 HB3 ALA 5 2HB ALA 5 -1.526 8.740 -10.869 38 H MET 6 H MET 6 -3.252 11.530 -9.298 39 HA MET 6 HA MET 6 -6.153 11.559 -8.886 40 HB2 MET 6 1HB MET 6 -3.918 13.390 -8.188 41 HB3 MET 6 2HB MET 6 -5.479 14.125 -8.528 42 HG2 MET 6 1HG MET 6 -5.271 13.760 -6.171 43 HG3 MET 6 2HG MET 6 -6.501 12.678 -6.819 44 HE1 MET 6 3HE MET 6 -5.676 9.673 -5.012 45 HE2 MET 6 1HE MET 6 -5.940 11.195 -4.161 46 HE3 MET 6 2HE MET 6 -6.824 10.852 -5.648 47 H TYR 7 H TYR 7 -7.463 12.040 -10.512 48 HA TYR 7 HA TYR 7 -6.343 13.421 -12.857 49 HB2 TYR 7 1HB TYR 7 -7.402 11.026 -12.966 50 HB3 TYR 7 2HB TYR 7 -8.927 11.905 -12.931 51 HD1 TYR 7 HD1 TYR 7 -8.799 14.077 -14.628 52 HD2 TYR 7 HD2 TYR 7 -6.733 10.383 -15.067 53 HE1 TYR 7 HE1 TYR 7 -8.635 14.463 -17.052 54 HE2 TYR 7 HE2 TYR 7 -6.563 10.760 -17.491 55 HH TYR 7 HH TYR 7 -7.628 13.780 -18.961 56 H ASN 8 H ASN 8 -6.768 15.533 -12.705 57 HA ASN 8 HA ASN 8 -9.289 16.447 -11.567 58 HB2 ASN 8 1HB ASN 8 -6.828 17.449 -11.273 59 HB3 ASN 8 2HB ASN 8 -7.314 18.368 -12.694 60 HD21 ASN 8 1HD2 ASN 8 -7.681 17.933 -9.320 61 HD22 ASN 8 2HD2 ASN 8 -8.773 19.242 -9.042 62 H ILE 9 H ILE 9 -10.990 16.536 -12.873 63 HA ILE 9 HA ILE 9 -10.597 17.555 -15.610 64 HB ILE 9 HB ILE 9 -11.106 15.196 -15.761 65 HG12 ILE 9 1HG1 ILE 9 -13.522 16.891 -16.433 66 HG13 ILE 9 2HG1 ILE 9 -12.098 16.682 -17.446 67 HG21 ILE 9 1HG2 ILE 9 -13.018 14.172 -14.788 68 HG22 ILE 9 2HG2 ILE 9 -12.210 15.079 -13.510 69 HG23 ILE 9 3HG2 ILE 9 -13.664 15.728 -14.267 70 HD11 ILE 9 3HD1 ILE 9 -13.160 14.120 -16.781 71 HD12 ILE 9 1HD1 ILE 9 -14.446 15.146 -17.414 72 HD13 ILE 9 2HD1 ILE 9 -12.983 14.880 -18.362 73 H SER 10 H SER 10 -11.633 19.391 -15.981 74 HA SER 10 HA SER 10 -14.151 19.917 -14.556 75 HB2 SER 10 1HB SER 10 -12.418 22.254 -15.136 76 HB3 SER 10 2HB SER 10 -13.476 21.948 -13.759 77 HG SER 10 HG SER 10 -11.017 20.602 -14.185 78 H MET 11 H MET 11 -15.540 19.656 -16.222 79 HA MET 11 HA MET 11 -15.126 20.216 -18.898 80 HB2 MET 11 1HB MET 11 -17.129 19.077 -17.612 81 HB3 MET 11 2HB MET 11 -17.833 20.685 -17.721 82 HG2 MET 11 1HG MET 11 -18.144 20.553 -19.957 83 HG3 MET 11 2HG MET 11 -16.718 19.548 -20.208 84 HE1 MET 11 3HE MET 11 -20.856 18.181 -20.545 85 HE2 MET 11 1HE MET 11 -20.618 19.541 -19.448 86 HE3 MET 11 2HE MET 11 -19.982 19.612 -21.091 87 H ALA 12 H ALA 12 -16.456 21.920 -20.146 88 HA ALA 12 HA ALA 12 -15.371 24.423 -19.746 89 HB1 ALA 12 3HB ALA 12 -17.990 24.585 -20.988 90 HB2 ALA 12 1HB ALA 12 -16.393 24.910 -21.665 91 HB3 ALA 12 2HB ALA 12 -17.019 23.261 -21.632 92 H GLY 13 H GLY 13 -18.248 23.026 -18.338 93 HA2 GLY 13 1HA GLY 13 -18.373 25.171 -16.408 94 HA3 GLY 13 2HA GLY 13 -19.746 25.122 -17.504 95 H SER 14 H SER 14 -17.839 22.805 -15.573 96 HA SER 14 HA SER 14 -20.327 21.863 -14.356 97 HB2 SER 14 1HB SER 14 -18.299 20.006 -15.625 98 HB3 SER 14 2HB SER 14 -19.747 19.515 -14.747 99 HG SER 14 HG SER 14 -20.594 19.568 -16.679 100 H HIS 15 H HIS 15 -17.711 23.320 -13.666 101 HA HIS 15 HA HIS 15 -16.359 23.517 -11.847 102 HB2 HIS 15 1HB HIS 15 -18.671 21.998 -10.896 103 HB3 HIS 15 2HB HIS 15 -17.212 21.689 -9.960 104 HD1 HIS 15 HD1 HIS 15 -17.294 23.096 -7.937 105 HD2 HIS 15 HD2 HIS 15 -18.694 25.127 -11.280 106 HE1 HIS 15 HE1 HIS 15 -17.820 25.422 -7.139 107 HA PRO 16 HA PRO 16 -13.234 20.450 -12.098 108 HB2 PRO 16 1HB PRO 16 -12.052 20.609 -9.659 109 HB3 PRO 16 2HB PRO 16 -11.880 21.862 -10.894 110 HG2 PRO 16 1HG PRO 16 -13.694 21.785 -8.513 111 HG3 PRO 16 2HG PRO 16 -12.729 23.134 -9.141 112 HD2 PRO 16 1HD PRO 16 -15.385 22.899 -9.613 113 HD3 PRO 16 2HD PRO 16 -14.269 23.638 -10.780 114 H THR 17 H THR 17 -12.975 18.297 -11.807 115 HA THR 17 HA THR 17 -14.384 17.019 -9.561 116 HB THR 17 HB THR 17 -14.375 16.068 -12.431 117 HG1 THR 17 HG1 THR 17 -16.639 16.406 -12.219 118 HG21 THR 17 3HG2 THR 17 -14.909 14.691 -9.885 119 HG22 THR 17 1HG2 THR 17 -14.465 14.032 -11.458 120 HG23 THR 17 2HG2 THR 17 -16.140 14.472 -11.128 121 H THR 18 H THR 18 -12.983 15.954 -8.342 122 HA THR 18 HA THR 18 -10.403 15.160 -9.410 123 HB THR 18 HB THR 18 -11.221 14.491 -6.619 124 HG1 THR 18 HG1 THR 18 -10.858 16.637 -5.985 125 HG21 THR 18 3HG2 THR 18 -8.981 14.601 -6.170 126 HG22 THR 18 1HG2 THR 18 -8.689 15.859 -7.371 127 HG23 THR 18 2HG2 THR 18 -8.906 14.185 -7.882 128 H ILE 19 H ILE 19 -10.386 13.318 -10.542 129 HA ILE 19 HA ILE 19 -11.928 11.027 -9.528 130 HB ILE 19 HB ILE 19 -10.682 11.238 -12.262 131 HG12 ILE 19 1HG1 ILE 19 -13.490 12.000 -11.427 132 HG13 ILE 19 2HG1 ILE 19 -12.239 13.113 -11.969 133 HG21 ILE 19 1HG2 ILE 19 -11.479 9.029 -11.155 134 HG22 ILE 19 2HG2 ILE 19 -13.093 9.634 -11.524 135 HG23 ILE 19 3HG2 ILE 19 -11.931 9.375 -12.824 136 HD11 ILE 19 3HD1 ILE 19 -13.825 12.675 -13.738 137 HD12 ILE 19 1HD1 ILE 19 -12.239 12.029 -14.161 138 HD13 ILE 19 2HD1 ILE 19 -13.517 10.943 -13.613 139 H CYS 20 H CYS 20 -10.712 9.808 -8.229 140 HA CYS 20 HA CYS 20 -7.860 9.563 -8.622 141 HB2 CYS 20 1HB CYS 20 -8.652 9.702 -6.351 142 HB3 CYS 20 2HB CYS 20 -9.748 8.347 -6.600 143 HG CYS 20 HG CYS 20 -6.998 7.008 -7.335 144 H VAL 21 H VAL 21 -6.985 8.147 -9.966 145 HA VAL 21 HA VAL 21 -8.334 5.559 -10.369 146 HB VAL 21 HB VAL 21 -6.841 7.054 -12.524 147 HG11 VAL 21 1HG1 VAL 21 -8.570 4.584 -12.585 148 HG12 VAL 21 2HG1 VAL 21 -7.900 5.389 -14.005 149 HG13 VAL 21 3HG1 VAL 21 -6.823 4.653 -12.817 150 HG21 VAL 21 3HG2 VAL 21 -8.723 8.375 -12.291 151 HG22 VAL 21 1HG2 VAL 21 -9.257 7.190 -13.482 152 HG23 VAL 21 2HG2 VAL 21 -9.740 7.023 -11.794 153 H VAL 22 H VAL 22 -7.084 3.799 -10.167 154 HA VAL 22 HA VAL 22 -4.597 3.851 -8.971 155 HB VAL 22 HB VAL 22 -5.587 1.651 -10.787 156 HG11 VAL 22 1HG1 VAL 22 -4.256 0.578 -8.596 157 HG12 VAL 22 2HG1 VAL 22 -3.649 0.694 -10.249 158 HG13 VAL 22 3HG1 VAL 22 -3.274 1.960 -9.080 159 HG21 VAL 22 3HG2 VAL 22 -6.228 0.813 -8.310 160 HG22 VAL 22 1HG2 VAL 22 -6.470 2.550 -8.121 161 HG23 VAL 22 2HG2 VAL 22 -7.348 1.668 -9.371 162 H MET 23 H MET 23 -2.483 3.640 -9.672 163 HA MET 23 HA MET 23 -1.717 4.992 -11.970 164 HB2 MET 23 1HB MET 23 -0.235 4.594 -10.042 165 HB3 MET 23 2HB MET 23 -0.148 2.890 -10.466 166 HG2 MET 23 1HG MET 23 0.654 3.930 -12.783 167 HG3 MET 23 2HG MET 23 1.166 5.227 -11.705 168 HE1 MET 23 3HE MET 23 2.319 2.835 -13.666 169 HE2 MET 23 1HE MET 23 3.685 2.014 -12.909 170 HE3 MET 23 2HE MET 23 2.059 1.350 -12.749 171 H ASP 24 H ASP 24 -2.471 1.615 -11.501 172 HA ASP 24 HA ASP 24 -1.349 0.672 -13.938 173 HB2 ASP 24 1HB ASP 24 -2.125 -0.631 -11.793 174 HB3 ASP 24 2HB ASP 24 -3.676 -0.682 -12.627 175 H ARG 25 H ARG 25 -4.352 2.186 -13.078 176 HA ARG 25 HA ARG 25 -5.379 1.710 -15.796 177 HB2 ARG 25 1HB ARG 25 -6.766 2.246 -13.182 178 HB3 ARG 25 2HB ARG 25 -7.581 2.514 -14.717 179 HG2 ARG 25 1HG ARG 25 -6.317 -0.113 -13.998 180 HG3 ARG 25 2HG ARG 25 -7.985 0.291 -13.588 181 HD2 ARG 25 1HD ARG 25 -8.344 0.782 -16.033 182 HD3 ARG 25 2HD ARG 25 -6.754 0.079 -16.327 183 HE ARG 25 HE ARG 25 -8.077 -1.833 -14.909 184 HH11 ARG 25 1HH1 ARG 25 -8.730 -0.072 -17.841 185 HH12 ARG 25 2HH1 ARG 25 -9.643 -1.356 -18.563 186 HH21 ARG 25 1HH2 ARG 25 -9.278 -3.529 -15.849 187 HH22 ARG 25 2HH2 ARG 25 -9.955 -3.321 -17.428 188 H PHE 26 H PHE 26 -3.492 3.831 -14.565 189 HA PHE 26 HA PHE 26 -4.817 6.322 -14.713 190 HB2 PHE 26 1HB PHE 26 -2.719 6.195 -13.559 191 HB3 PHE 26 2HB PHE 26 -1.904 5.573 -14.991 192 HD1 PHE 26 HD2 PHE 26 -3.378 8.551 -13.427 193 HD2 PHE 26 HD1 PHE 26 -1.156 7.032 -16.725 194 HE1 PHE 26 HE2 PHE 26 -2.771 10.847 -14.072 195 HE2 PHE 26 HE1 PHE 26 -0.545 9.325 -17.374 196 HZ PHE 26 HZ PHE 26 -1.354 11.236 -16.048 197 H LEU 27 H LEU 27 -2.622 4.750 -17.045 198 HA LEU 27 HA LEU 27 -2.918 6.602 -19.104 199 HB2 LEU 27 1HB LEU 27 -1.160 5.021 -19.227 200 HB3 LEU 27 2HB LEU 27 -2.281 3.665 -19.127 201 HG LEU 27 HG LEU 27 -2.978 3.943 -21.361 202 HD11 LEU 27 1HD1 LEU 27 -2.053 6.688 -20.956 203 HD12 LEU 27 2HD1 LEU 27 -3.334 6.060 -21.992 204 HD13 LEU 27 3HD1 LEU 27 -1.657 6.016 -22.538 205 HD21 LEU 27 3HD2 LEU 27 -0.804 2.886 -21.160 206 HD22 LEU 27 1HD2 LEU 27 -0.009 4.460 -21.216 207 HD23 LEU 27 2HD2 LEU 27 -0.873 3.858 -22.631 208 H GLU 28 H GLU 28 -4.778 3.671 -18.396 209 HA GLU 28 HA GLU 28 -6.407 3.687 -20.671 210 HB2 GLU 28 1HB GLU 28 -6.973 2.681 -17.879 211 HB3 GLU 28 2HB GLU 28 -7.999 2.357 -19.270 212 HG2 GLU 28 1HG GLU 28 -5.108 1.658 -19.402 213 HG3 GLU 28 2HG GLU 28 -6.210 0.624 -18.495 214 H SER 29 H SER 29 -7.014 5.050 -17.438 215 HA SER 29 HA SER 29 -9.534 6.109 -17.907 216 HB2 SER 29 1HB SER 29 -8.967 6.248 -15.681 217 HB3 SER 29 2HB SER 29 -7.313 6.755 -16.024 218 HG SER 29 HG SER 29 -7.977 8.804 -16.293 219 H PHE 30 H PHE 30 -6.367 7.667 -18.342 220 HA PHE 30 HA PHE 30 -7.332 10.139 -19.252 221 HB2 PHE 30 1HB PHE 30 -4.977 9.614 -18.503 222 HB3 PHE 30 2HB PHE 30 -4.722 8.860 -20.073 223 HD1 PHE 30 HD1 PHE 30 -4.850 10.248 -22.134 224 HD2 PHE 30 HD2 PHE 30 -4.896 11.955 -18.235 225 HE1 PHE 30 HE1 PHE 30 -4.254 12.437 -23.088 226 HE2 PHE 30 HE2 PHE 30 -4.301 14.146 -19.183 227 HZ PHE 30 HZ PHE 30 -3.980 14.389 -21.613 228 H SER 31 H SER 31 -6.446 7.192 -20.996 229 HA SER 31 HA SER 31 -6.636 8.143 -23.602 230 HB2 SER 31 1HB SER 31 -5.948 5.785 -22.625 231 HB3 SER 31 2HB SER 31 -7.632 5.392 -22.972 232 HG SER 31 HG SER 31 -5.565 5.575 -24.668 233 H GLU 32 H GLU 32 -9.165 6.666 -21.580 234 HA GLU 32 HA GLU 32 -11.226 6.953 -23.505 235 HB2 GLU 32 1HB GLU 32 -11.121 5.443 -21.396 236 HB3 GLU 32 2HB GLU 32 -11.731 6.857 -20.547 237 HG2 GLU 32 1HG GLU 32 -13.667 5.729 -21.031 238 HG3 GLU 32 2HG GLU 32 -13.560 6.853 -22.385 239 H LEU 33 H LEU 33 -9.999 9.008 -20.944 240 HA LEU 33 HA LEU 33 -12.107 10.853 -20.819 241 HB2 LEU 33 1HB LEU 33 -9.968 10.550 -19.351 242 HB3 LEU 33 2HB LEU 33 -9.265 11.707 -20.480 243 HG LEU 33 HG LEU 33 -10.058 12.787 -18.433 244 HD11 LEU 33 1HD1 LEU 33 -10.755 14.629 -19.526 245 HD12 LEU 33 2HD1 LEU 33 -12.023 13.767 -20.397 246 HD13 LEU 33 3HD1 LEU 33 -10.352 13.676 -20.955 247 HD21 LEU 33 3HD2 LEU 33 -11.936 12.114 -17.462 248 HD22 LEU 33 1HD2 LEU 33 -12.317 11.089 -18.846 249 HD23 LEU 33 2HD2 LEU 33 -12.852 12.769 -18.820 250 H TYR 34 H TYR 34 -9.222 10.744 -22.865 251 HA TYR 34 HA TYR 34 -9.508 13.234 -24.101 252 HB2 TYR 34 1HB TYR 34 -7.454 12.113 -24.421 253 HB3 TYR 34 2HB TYR 34 -8.246 10.651 -24.998 254 HD1 TYR 34 HD1 TYR 34 -8.038 14.272 -25.924 255 HD2 TYR 34 HD2 TYR 34 -8.126 10.233 -27.259 256 HE1 TYR 34 HE1 TYR 34 -7.748 15.038 -28.243 257 HE2 TYR 34 HE2 TYR 34 -7.835 10.988 -29.581 258 HH TYR 34 HH TYR 34 -8.426 13.890 -30.658 259 H ASP 35 H ASP 35 -11.317 10.339 -24.457 260 HA ASP 35 HA ASP 35 -12.404 11.084 -27.048 261 HB2 ASP 35 1HB ASP 35 -12.236 8.666 -25.481 262 HB3 ASP 35 2HB ASP 35 -13.901 8.956 -25.980 263 H ILE 36 H ILE 36 -13.757 10.388 -23.820 264 HA ILE 36 HA ILE 36 -16.330 11.347 -24.340 265 HB ILE 36 HB ILE 36 -15.773 9.973 -22.375 266 HG12 ILE 36 1HG1 ILE 36 -16.970 12.650 -21.628 267 HG13 ILE 36 2HG1 ILE 36 -17.838 11.346 -22.429 268 HG21 ILE 36 1HG2 ILE 36 -14.728 12.390 -20.970 269 HG22 ILE 36 2HG2 ILE 36 -14.488 10.684 -20.599 270 HG23 ILE 36 3HG2 ILE 36 -13.642 11.417 -21.961 271 HD11 ILE 36 3HD1 ILE 36 -17.679 9.957 -20.516 272 HD12 ILE 36 1HD1 ILE 36 -16.544 11.056 -19.735 273 HD13 ILE 36 2HD1 ILE 36 -18.223 11.543 -19.969 274 H ILE 37 H ILE 37 -13.409 13.011 -23.339 275 HA ILE 37 HA ILE 37 -14.553 15.448 -22.547 276 HB ILE 37 HB ILE 37 -12.160 14.736 -22.193 277 HG12 ILE 37 1HG1 ILE 37 -11.367 17.211 -22.941 278 HG13 ILE 37 2HG1 ILE 37 -13.113 17.413 -23.024 279 HG21 ILE 37 1HG2 ILE 37 -11.591 15.903 -24.889 280 HG22 ILE 37 2HG2 ILE 37 -10.561 14.903 -23.866 281 HG23 ILE 37 3HG2 ILE 37 -11.934 14.183 -24.707 282 HD11 ILE 37 3HD1 ILE 37 -12.710 16.132 -20.613 283 HD12 ILE 37 1HD1 ILE 37 -11.370 17.273 -20.724 284 HD13 ILE 37 2HD1 ILE 37 -13.032 17.849 -20.854 285 H ASP 38 H ASP 38 -13.926 14.098 -25.685 286 HA ASP 38 HA ASP 38 -13.920 16.440 -27.229 287 HB2 ASP 38 1HB ASP 38 -13.336 14.071 -27.968 288 HB3 ASP 38 2HB ASP 38 -15.069 13.801 -28.132 289 H GLU 39 H GLU 39 -16.489 14.728 -25.667 290 HA GLU 39 HA GLU 39 -18.496 16.323 -27.101 291 HB2 GLU 39 1HB GLU 39 -18.675 13.767 -26.882 292 HB3 GLU 39 2HB GLU 39 -19.086 14.066 -25.199 293 HG2 GLU 39 1HG GLU 39 -21.048 13.752 -26.669 294 HG3 GLU 39 2HG GLU 39 -21.034 15.298 -25.821 295 H ASN 40 H ASN 40 -20.342 17.120 -25.759 296 HA ASN 40 HA ASN 40 -19.332 18.161 -23.195 297 HB2 ASN 40 1HB ASN 40 -21.101 19.983 -23.616 298 HB3 ASN 40 2HB ASN 40 -19.640 20.023 -24.598 299 HD21 ASN 40 1HD2 ASN 40 -23.030 19.779 -24.579 300 HD22 ASN 40 2HD2 ASN 40 -23.261 19.588 -26.281 301 H ASP 41 H ASP 41 -20.458 15.661 -23.169 302 HA ASP 41 HA ASP 41 -23.236 15.983 -22.324 303 HB2 ASP 41 1HB ASP 41 -21.513 13.666 -23.075 304 HB3 ASP 41 2HB ASP 41 -22.865 13.377 -21.984 305 H THR 42 H THR 42 -23.511 16.636 -20.295 306 HA THR 42 HA THR 42 -21.566 16.015 -18.241 307 HB THR 42 HB THR 42 -24.192 17.480 -17.938 308 HG1 THR 42 HG1 THR 42 -23.184 18.927 -19.123 309 HG21 THR 42 3HG2 THR 42 -21.753 17.170 -16.211 310 HG22 THR 42 1HG2 THR 42 -23.442 16.887 -15.793 311 HG23 THR 42 2HG2 THR 42 -22.853 18.534 -16.021 312 H ASP 43 H ASP 43 -24.560 14.773 -19.379 313 HA ASP 43 HA ASP 43 -25.467 13.555 -16.981 314 HB2 ASP 43 1HB ASP 43 -27.037 12.382 -18.350 315 HB3 ASP 43 2HB ASP 43 -26.862 13.996 -19.034 316 H VAL 44 H VAL 44 -23.178 12.639 -19.442 317 HA VAL 44 HA VAL 44 -22.988 9.908 -18.449 318 HB VAL 44 HB VAL 44 -22.849 10.396 -20.892 319 HG11 VAL 44 1HG1 VAL 44 -21.423 11.877 -21.743 320 HG12 VAL 44 2HG1 VAL 44 -21.056 12.364 -20.087 321 HG13 VAL 44 3HG1 VAL 44 -20.060 11.150 -20.893 322 HG21 VAL 44 3HG2 VAL 44 -21.311 8.705 -21.319 323 HG22 VAL 44 1HG2 VAL 44 -20.253 9.200 -19.997 324 HG23 VAL 44 2HG2 VAL 44 -21.785 8.398 -19.648 325 H MET 45 H MET 45 -21.480 12.952 -17.993 326 HA MET 45 HA MET 45 -18.870 12.302 -17.355 327 HB2 MET 45 1HB MET 45 -20.755 14.439 -16.483 328 HB3 MET 45 2HB MET 45 -19.259 14.245 -15.580 329 HG2 MET 45 1HG MET 45 -19.315 14.547 -18.565 330 HG3 MET 45 2HG MET 45 -19.247 15.924 -17.468 331 HE1 MET 45 3HE MET 45 -16.479 16.497 -16.096 332 HE2 MET 45 1HE MET 45 -17.805 15.602 -15.353 333 HE3 MET 45 2HE MET 45 -16.174 14.932 -15.340 334 H MET 46 H MET 46 -21.674 12.398 -15.157 335 HA MET 46 HA MET 46 -20.371 11.584 -12.839 336 HB2 MET 46 1HB MET 46 -22.624 10.782 -12.099 337 HB3 MET 46 2HB MET 46 -22.610 12.429 -12.713 338 HG2 MET 46 1HG MET 46 -23.402 11.534 -14.904 339 HG3 MET 46 2HG MET 46 -23.587 9.964 -14.127 340 HE1 MET 46 3HE MET 46 -26.596 10.237 -11.910 341 HE2 MET 46 1HE MET 46 -26.028 9.273 -13.273 342 HE3 MET 46 2HE MET 46 -24.933 9.647 -11.943 343 H ASP 47 H ASP 47 -21.934 9.622 -15.350 344 HA ASP 47 HA ASP 47 -21.601 7.118 -14.166 345 HB2 ASP 47 1HB ASP 47 -22.986 7.582 -16.186 346 HB3 ASP 47 2HB ASP 47 -21.504 7.742 -17.125 347 H PHE 48 H PHE 48 -19.413 8.988 -16.220 348 HA PHE 48 HA PHE 48 -17.429 6.994 -16.479 349 HB2 PHE 48 1HB PHE 48 -17.398 8.802 -18.031 350 HB3 PHE 48 2HB PHE 48 -17.337 9.998 -16.740 351 HD1 PHE 48 HD1 PHE 48 -15.410 7.369 -18.471 352 HD2 PHE 48 HD2 PHE 48 -15.285 10.689 -15.811 353 HE1 PHE 48 HE1 PHE 48 -12.953 7.386 -18.613 354 HE2 PHE 48 HE2 PHE 48 -12.828 10.712 -15.949 355 HZ PHE 48 HZ PHE 48 -11.660 9.060 -17.353 356 H ILE 49 H ILE 49 -17.718 9.769 -14.275 357 HA ILE 49 HA ILE 49 -15.341 9.448 -12.879 358 HB ILE 49 HB ILE 49 -17.990 10.417 -11.798 359 HG12 ILE 49 1HG1 ILE 49 -15.718 12.180 -12.642 360 HG13 ILE 49 2HG1 ILE 49 -16.815 11.537 -13.860 361 HG21 ILE 49 1HG2 ILE 49 -15.363 10.099 -10.580 362 HG22 ILE 49 2HG2 ILE 49 -15.995 11.739 -10.451 363 HG23 ILE 49 3HG2 ILE 49 -16.933 10.382 -9.830 364 HD11 ILE 49 3HD1 ILE 49 -17.339 13.833 -12.967 365 HD12 ILE 49 1HD1 ILE 49 -18.659 12.664 -12.933 366 HD13 ILE 49 2HD1 ILE 49 -17.779 13.045 -11.452 367 H SER 50 H SER 50 -18.539 8.068 -12.156 368 HA SER 50 HA SER 50 -17.616 6.594 -9.893 369 HB2 SER 50 1HB SER 50 -19.948 7.221 -10.016 370 HB3 SER 50 2HB SER 50 -20.143 6.362 -11.543 371 HG SER 50 HG SER 50 -20.548 4.650 -10.417 372 H ARG 51 H ARG 51 -17.806 5.991 -13.308 373 HA ARG 51 HA ARG 51 -17.677 3.173 -13.259 374 HB2 ARG 51 1HB ARG 51 -18.316 4.276 -15.288 375 HB3 ARG 51 2HB ARG 51 -16.814 5.189 -15.331 376 HG2 ARG 51 1HG ARG 51 -15.601 3.429 -16.127 377 HG3 ARG 51 2HG ARG 51 -16.654 2.225 -15.383 378 HD2 ARG 51 1HD ARG 51 -16.994 2.105 -17.735 379 HD3 ARG 51 2HD ARG 51 -18.418 2.877 -17.037 380 HE ARG 51 HE ARG 51 -16.587 4.859 -17.813 381 HH11 ARG 51 1HH1 ARG 51 -18.719 2.484 -19.204 382 HH12 ARG 51 2HH1 ARG 51 -18.983 3.384 -20.661 383 HH21 ARG 51 1HH2 ARG 51 -16.927 6.053 -19.727 384 HH22 ARG 51 2HH2 ARG 51 -17.963 5.413 -20.958 385 H PHE 52 H PHE 52 -15.136 5.644 -13.535 386 HA PHE 52 HA PHE 52 -13.062 3.623 -13.356 387 HB2 PHE 52 1HB PHE 52 -13.148 6.548 -13.919 388 HB3 PHE 52 2HB PHE 52 -11.652 5.881 -13.273 389 HD1 PHE 52 HD2 PHE 52 -10.331 4.308 -14.563 390 HD2 PHE 52 HD1 PHE 52 -13.916 5.985 -16.129 391 HE1 PHE 52 HE2 PHE 52 -9.690 3.563 -16.818 392 HE2 PHE 52 HE1 PHE 52 -13.282 5.241 -18.387 393 HZ PHE 52 HZ PHE 52 -11.166 4.030 -18.734 394 H ALA 53 H ALA 53 -13.913 6.561 -11.519 395 HA ALA 53 HA ALA 53 -12.227 5.901 -9.321 396 HB1 ALA 53 3HB ALA 53 -14.361 7.712 -8.618 397 HB2 ALA 53 1HB ALA 53 -12.625 8.005 -8.723 398 HB3 ALA 53 2HB ALA 53 -13.633 8.152 -10.163 399 H ARG 54 H ARG 54 -12.604 4.630 -7.623 400 HA ARG 54 HA ARG 54 -15.074 3.173 -7.444 401 HB2 ARG 54 1HB ARG 54 -12.598 3.171 -5.712 402 HB3 ARG 54 2HB ARG 54 -13.970 2.098 -5.467 403 HG2 ARG 54 1HG ARG 54 -12.503 2.202 -8.079 404 HG3 ARG 54 2HG ARG 54 -11.956 1.190 -6.740 405 HD2 ARG 54 1HD ARG 54 -14.407 0.336 -6.724 406 HD3 ARG 54 2HD ARG 54 -14.467 1.003 -8.356 407 HE ARG 54 HE ARG 54 -12.197 -0.671 -8.004 408 HH11 ARG 54 1HH1 ARG 54 -15.640 -0.731 -8.520 409 HH12 ARG 54 2HH1 ARG 54 -15.628 -2.278 -9.299 410 HH21 ARG 54 1HH2 ARG 54 -12.168 -2.709 -9.029 411 HH22 ARG 54 2HH2 ARG 54 -13.653 -3.403 -9.587 412 H THR 55 H THR 55 -16.610 3.252 -5.829 413 HA THR 55 HA THR 55 -16.724 5.773 -4.362 414 HB THR 55 HB THR 55 -19.078 5.136 -3.882 415 HG1 THR 55 HG1 THR 55 -19.748 3.175 -4.317 416 HG21 THR 55 3HG2 THR 55 -19.443 6.319 -5.736 417 HG22 THR 55 1HG2 THR 55 -19.393 4.815 -6.655 418 HG23 THR 55 2HG2 THR 55 -17.924 5.767 -6.439 419 H ASP 56 H ASP 56 -14.998 5.003 -2.893 420 HA ASP 56 HA ASP 56 -16.198 3.607 -0.614 421 HB2 ASP 56 1HB ASP 56 -14.636 2.142 -2.141 422 HB3 ASP 56 2HB ASP 56 -13.348 3.008 -1.308 423 H GLU 57 H GLU 57 -14.995 3.956 1.410 424 HA GLU 57 HA GLU 57 -14.505 6.641 1.905 425 HB2 GLU 57 1HB GLU 57 -13.858 4.120 3.383 426 HB3 GLU 57 2HB GLU 57 -13.222 5.651 3.969 427 HG2 GLU 57 1HG GLU 57 -15.194 5.358 5.160 428 HG3 GLU 57 2HG GLU 57 -15.629 6.488 3.879 429 H ILE 58 H ILE 58 -12.780 7.949 1.761 430 HA ILE 58 HA ILE 58 -10.387 6.902 0.481 431 HB ILE 58 HB ILE 58 -11.113 9.752 1.168 432 HG12 ILE 58 1HG1 ILE 58 -11.267 9.710 -1.483 433 HG13 ILE 58 2HG1 ILE 58 -11.625 8.010 -1.201 434 HG21 ILE 58 1HG2 ILE 58 -8.974 10.184 0.740 435 HG22 ILE 58 2HG2 ILE 58 -8.678 8.527 0.214 436 HG23 ILE 58 3HG2 ILE 58 -9.293 9.720 -0.931 437 HD11 ILE 58 3HD1 ILE 58 -13.354 10.243 -1.021 438 HD12 ILE 58 1HD1 ILE 58 -13.724 8.537 -0.772 439 HD13 ILE 58 2HD1 ILE 58 -13.201 9.534 0.587 440 H MET 59 H MET 59 -8.507 6.545 1.476 441 HA MET 59 HA MET 59 -8.148 7.621 4.196 442 HB2 MET 59 1HB MET 59 -7.556 4.888 3.098 443 HB3 MET 59 2HB MET 59 -6.691 5.502 4.501 444 HG2 MET 59 1HG MET 59 -9.686 5.292 4.317 445 HG3 MET 59 2HG MET 59 -8.643 4.071 5.041 446 HE1 MET 59 3HE MET 59 -7.231 5.414 8.089 447 HE2 MET 59 1HE MET 59 -8.645 4.359 8.096 448 HE3 MET 59 2HE MET 59 -7.397 4.152 6.867 449 HA PRO 60 HA PRO 60 -4.305 9.326 2.940 450 HB2 PRO 60 1HB PRO 60 -2.785 8.985 5.163 451 HB3 PRO 60 2HB PRO 60 -4.100 10.163 5.069 452 HG2 PRO 60 1HG PRO 60 -4.091 7.428 6.285 453 HG3 PRO 60 2HG PRO 60 -4.792 8.930 6.915 454 HD2 PRO 60 1HD PRO 60 -6.282 7.026 5.697 455 HD3 PRO 60 2HD PRO 60 -6.672 8.755 5.594 456 H GLU 61 H GLU 61 -4.485 6.021 3.906 457 HA GLU 61 HA GLU 61 -1.862 5.161 3.653 458 HB2 GLU 61 1HB GLU 61 -4.348 3.954 3.974 459 HB3 GLU 61 2HB GLU 61 -3.741 3.285 2.466 460 HG2 GLU 61 1HG GLU 61 -1.555 2.929 3.867 461 HG3 GLU 61 2HG GLU 61 -2.672 3.016 5.228 462 H ASP 62 H ASP 62 -4.241 5.878 1.172 463 HA ASP 62 HA ASP 62 -3.052 4.728 -1.047 464 HB2 ASP 62 1HB ASP 62 -4.797 7.123 -0.643 465 HB3 ASP 62 2HB ASP 62 -4.083 6.851 -2.230 466 H LYS 63 H LYS 63 -1.554 5.408 -2.570 467 HA LYS 63 HA LYS 63 0.204 7.607 -1.697 468 HB2 LYS 63 1HB LYS 63 1.149 5.258 -1.621 469 HB3 LYS 63 2HB LYS 63 1.024 5.234 -3.375 470 HG2 LYS 63 1HG LYS 63 2.705 6.784 -3.652 471 HG3 LYS 63 2HG LYS 63 2.500 7.451 -2.031 472 HD2 LYS 63 1HD LYS 63 3.493 4.654 -2.523 473 HD3 LYS 63 2HD LYS 63 4.576 6.044 -2.425 474 HE2 LYS 63 1HE LYS 63 3.593 6.539 -0.177 475 HE3 LYS 63 2HE LYS 63 2.720 5.011 -0.286 476 HZ1 LYS 63 3HZ LYS 63 4.567 4.319 0.807 477 HZ2 LYS 63 1HZ LYS 63 5.571 5.499 0.128 478 HZ3 LYS 63 2HZ LYS 63 5.141 4.133 -0.773 479 H THR 64 H THR 64 0.663 9.204 -3.102 480 HA THR 64 HA THR 64 -0.826 9.317 -5.568 481 HB THR 64 HB THR 64 1.209 11.393 -4.927 482 HG1 THR 64 HG1 THR 64 -0.227 12.288 -3.360 483 HG21 THR 64 3HG2 THR 64 -1.626 12.025 -5.472 484 HG22 THR 64 1HG2 THR 64 -0.742 11.231 -6.775 485 HG23 THR 64 2HG2 THR 64 -0.157 12.758 -6.115 486 H VAL 65 H VAL 65 -0.105 8.884 -7.554 487 HA VAL 65 HA VAL 65 2.770 8.350 -7.893 488 HB VAL 65 HB VAL 65 0.488 7.348 -9.600 489 HG11 VAL 65 1HG1 VAL 65 2.162 7.033 -11.057 490 HG12 VAL 65 2HG1 VAL 65 3.406 7.252 -9.825 491 HG13 VAL 65 3HG1 VAL 65 2.611 5.688 -10.010 492 HG21 VAL 65 3HG2 VAL 65 0.151 5.733 -8.114 493 HG22 VAL 65 1HG2 VAL 65 1.850 5.269 -8.210 494 HG23 VAL 65 2HG2 VAL 65 1.331 6.483 -7.040 495 H GLY 66 H GLY 66 0.116 10.287 -8.961 496 HA2 GLY 66 1HA GLY 66 1.741 12.156 -10.276 497 HA3 GLY 66 2HA GLY 66 1.064 11.079 -11.489 498 H PHE 67 H PHE 67 0.542 13.833 -11.399 499 HA PHE 67 HA PHE 67 -2.335 13.807 -10.778 500 HB2 PHE 67 1HB PHE 67 -2.165 16.213 -10.209 501 HB3 PHE 67 2HB PHE 67 -1.226 15.196 -9.121 502 HD1 PHE 67 HD1 PHE 67 -1.081 17.706 -11.771 503 HD2 PHE 67 HD2 PHE 67 1.188 15.262 -9.127 504 HE1 PHE 67 HE1 PHE 67 0.919 19.060 -12.242 505 HE2 PHE 67 HE2 PHE 67 3.191 16.612 -9.592 506 HZ PHE 67 HZ PHE 67 3.058 18.515 -11.150 507 H VAL 68 H VAL 68 -3.689 14.690 -12.283 508 HA VAL 68 HA VAL 68 -2.445 15.802 -14.711 509 HB VAL 68 HB VAL 68 -4.784 13.891 -14.604 510 HG11 VAL 68 1HG1 VAL 68 -4.237 14.014 -17.193 511 HG12 VAL 68 2HG1 VAL 68 -5.351 15.146 -16.423 512 HG13 VAL 68 3HG1 VAL 68 -3.686 15.629 -16.748 513 HG21 VAL 68 3HG2 VAL 68 -2.430 12.978 -14.274 514 HG22 VAL 68 1HG2 VAL 68 -3.385 12.270 -15.577 515 HG23 VAL 68 2HG2 VAL 68 -2.130 13.453 -15.945 516 H VAL 69 H VAL 69 -2.968 17.901 -14.641 517 HA VAL 69 HA VAL 69 -5.574 18.749 -13.665 518 HB VAL 69 HB VAL 69 -3.303 20.443 -14.712 519 HG11 VAL 69 1HG1 VAL 69 -4.521 22.162 -13.235 520 HG12 VAL 69 2HG1 VAL 69 -5.217 21.769 -14.809 521 HG13 VAL 69 3HG1 VAL 69 -5.896 21.063 -13.341 522 HG21 VAL 69 3HG2 VAL 69 -4.004 19.666 -11.882 523 HG22 VAL 69 1HG2 VAL 69 -2.567 19.179 -12.782 524 HG23 VAL 69 2HG2 VAL 69 -2.798 20.870 -12.335 525 H VAL 70 H VAL 70 -7.247 18.811 -15.001 526 HA VAL 70 HA VAL 70 -6.817 19.738 -17.760 527 HB VAL 70 HB VAL 70 -8.533 17.404 -16.909 528 HG11 VAL 70 1HG1 VAL 70 -8.745 19.199 -19.192 529 HG12 VAL 70 2HG1 VAL 70 -8.593 17.504 -19.657 530 HG13 VAL 70 3HG1 VAL 70 -9.892 18.010 -18.576 531 HG21 VAL 70 3HG2 VAL 70 -6.125 17.620 -18.712 532 HG22 VAL 70 1HG2 VAL 70 -6.221 16.793 -17.157 533 HG23 VAL 70 2HG2 VAL 70 -7.120 16.173 -18.542 534 H ASN 71 H ASN 71 -7.812 21.644 -17.861 535 HA ASN 71 HA ASN 71 -10.538 21.843 -16.765 536 HB2 ASN 71 1HB ASN 71 -8.629 24.174 -16.900 537 HB3 ASN 71 2HB ASN 71 -10.147 24.059 -16.014 538 HD21 ASN 71 1HD2 ASN 71 -7.291 24.610 -15.238 539 HD22 ASN 71 2HD2 ASN 71 -6.990 23.529 -13.924 540 H ALA 72 H ALA 72 -11.981 22.142 -18.316 541 HA ALA 72 HA ALA 72 -11.251 22.802 -20.988 542 HB1 ALA 72 3HB ALA 72 -13.665 21.981 -19.574 543 HB2 ALA 72 1HB ALA 72 -13.975 23.117 -20.888 544 HB3 ALA 72 2HB ALA 72 -13.125 21.606 -21.211 545 H ASP 73 H ASP 73 -12.723 24.584 -18.324 546 HA ASP 73 HA ASP 73 -13.549 26.870 -19.657 547 HB2 ASP 73 1HB ASP 73 -13.009 28.025 -17.413 548 HB3 ASP 73 2HB ASP 73 -14.189 26.717 -17.407 549 H LYS 74 H LYS 74 -10.396 26.285 -18.102 550 HA LYS 74 HA LYS 74 -9.306 28.605 -19.521 551 HB2 LYS 74 1HB LYS 74 -8.200 26.940 -17.255 552 HB3 LYS 74 2HB LYS 74 -7.329 28.261 -18.022 553 HG2 LYS 74 1HG LYS 74 -8.686 29.872 -17.106 554 HG3 LYS 74 2HG LYS 74 -10.044 28.764 -16.901 555 HD2 LYS 74 1HD LYS 74 -8.593 27.567 -15.180 556 HD3 LYS 74 2HD LYS 74 -7.544 28.986 -15.245 557 HE2 LYS 74 1HE LYS 74 -10.494 29.204 -14.723 558 HE3 LYS 74 2HE LYS 74 -9.336 28.923 -13.425 559 HZ1 LYS 74 3HZ LYS 74 -8.208 30.992 -14.659 560 HZ2 LYS 74 1HZ LYS 74 -9.300 31.156 -13.377 561 HZ3 LYS 74 2HZ LYS 74 -9.837 31.326 -14.972 562 H LYS 75 H LYS 75 -9.878 25.742 -20.531 563 HA LYS 75 HA LYS 75 -8.822 24.086 -21.738 564 HB2 LYS 75 1HB LYS 75 -7.773 24.965 -23.733 565 HB3 LYS 75 2HB LYS 75 -9.158 25.966 -23.317 566 HG2 LYS 75 1HG LYS 75 -6.523 26.806 -22.265 567 HG3 LYS 75 2HG LYS 75 -6.800 26.982 -23.999 568 HD2 LYS 75 1HD LYS 75 -8.427 28.564 -23.717 569 HD3 LYS 75 2HD LYS 75 -8.922 27.930 -22.146 570 HE2 LYS 75 1HE LYS 75 -6.429 28.745 -21.553 571 HE3 LYS 75 2HE LYS 75 -6.824 29.892 -22.833 572 HZ1 LYS 75 3HZ LYS 75 -7.991 31.042 -21.366 573 HZ2 LYS 75 1HZ LYS 75 -7.661 29.909 -20.154 574 HZ3 LYS 75 2HZ LYS 75 -9.027 29.726 -21.134 575 H LEU 76 H LEU 76 -7.532 24.296 -19.317 576 HA LEU 76 HA LEU 76 -4.669 24.264 -19.967 577 HB2 LEU 76 1HB LEU 76 -6.103 24.359 -17.318 578 HB3 LEU 76 2HB LEU 76 -4.353 24.255 -17.500 579 HG LEU 76 HG LEU 76 -6.160 26.559 -18.193 580 HD11 LEU 76 1HD1 LEU 76 -5.597 26.842 -15.998 581 HD12 LEU 76 2HD1 LEU 76 -4.228 27.640 -16.770 582 HD13 LEU 76 3HD1 LEU 76 -4.060 25.992 -16.165 583 HD21 LEU 76 3HD2 LEU 76 -4.649 26.356 -20.042 584 HD22 LEU 76 1HD2 LEU 76 -3.278 26.117 -18.958 585 HD23 LEU 76 2HD2 LEU 76 -4.095 27.680 -19.015 586 H MET 77 H MET 77 -3.838 22.349 -20.442 587 HA MET 77 HA MET 77 -4.801 19.994 -18.960 588 HB2 MET 77 1HB MET 77 -4.047 18.801 -21.206 589 HB3 MET 77 2HB MET 77 -5.669 19.448 -21.005 590 HG2 MET 77 1HG MET 77 -3.605 21.258 -22.113 591 HG3 MET 77 2HG MET 77 -4.184 19.949 -23.140 592 HE1 MET 77 3HE MET 77 -7.926 20.358 -22.376 593 HE2 MET 77 1HE MET 77 -7.406 20.313 -24.061 594 HE3 MET 77 2HE MET 77 -6.612 19.287 -22.866 595 H SER 78 H SER 78 -3.120 19.915 -17.517 596 HA SER 78 HA SER 78 -0.448 19.460 -18.676 597 HB2 SER 78 1HB SER 78 -0.793 20.485 -15.878 598 HB3 SER 78 2HB SER 78 0.581 20.663 -16.969 599 HG SER 78 HG SER 78 -0.822 22.569 -16.622 600 H VAL 79 H VAL 79 0.134 17.412 -18.474 601 HA VAL 79 HA VAL 79 -0.877 15.864 -16.183 602 HB VAL 79 HB VAL 79 -0.476 13.856 -17.485 603 HG11 VAL 79 1HG1 VAL 79 -2.332 15.912 -18.190 604 HG12 VAL 79 2HG1 VAL 79 -1.879 15.011 -19.639 605 HG13 VAL 79 3HG1 VAL 79 -2.540 14.161 -18.241 606 HG21 VAL 79 3HG2 VAL 79 1.475 14.485 -18.731 607 HG22 VAL 79 1HG2 VAL 79 0.205 14.049 -19.874 608 HG23 VAL 79 2HG2 VAL 79 0.583 15.746 -19.582 609 H SER 80 H SER 80 0.498 14.947 -14.766 610 HA SER 80 HA SER 80 3.320 14.682 -15.401 611 HB2 SER 80 1HB SER 80 3.348 16.922 -14.562 612 HB3 SER 80 2HB SER 80 2.292 16.498 -13.215 613 HG SER 80 HG SER 80 3.947 15.353 -12.288 614 H PHE 81 H PHE 81 3.559 12.587 -14.955 615 HA PHE 81 HA PHE 81 2.813 11.662 -12.270 616 HB2 PHE 81 1HB PHE 81 2.196 9.442 -13.320 617 HB3 PHE 81 2HB PHE 81 1.078 10.766 -13.634 618 HD1 PHE 81 HD1 PHE 81 1.096 11.888 -15.851 619 HD2 PHE 81 HD2 PHE 81 3.338 8.355 -15.075 620 HE1 PHE 81 HE1 PHE 81 1.309 11.495 -18.271 621 HE2 PHE 81 HE2 PHE 81 3.555 7.957 -17.493 622 HZ PHE 81 HZ PHE 81 2.541 9.528 -19.094 623 H SER 82 H SER 82 3.857 9.419 -11.872 624 HA SER 82 HA SER 82 6.598 9.687 -11.810 625 HB2 SER 82 1HB SER 82 6.704 7.417 -11.091 626 HB3 SER 82 2HB SER 82 5.161 8.041 -10.508 627 HG SER 82 HG SER 82 5.685 6.081 -12.368 628 H ASP 83 H ASP 83 8.304 9.003 -13.053 629 HA ASP 83 HA ASP 83 7.880 8.840 -15.854 630 HB2 ASP 83 1HB ASP 83 10.411 8.153 -14.350 631 HB3 ASP 83 2HB ASP 83 10.275 8.636 -16.038 632 H ILE 84 H ILE 84 6.555 7.052 -16.240 633 HA ILE 84 HA ILE 84 7.407 4.413 -15.418 634 HB ILE 84 HB ILE 84 5.431 3.607 -16.632 635 HG12 ILE 84 1HG1 ILE 84 5.049 6.521 -17.355 636 HG13 ILE 84 2HG1 ILE 84 5.441 5.220 -18.474 637 HG21 ILE 84 1HG2 ILE 84 4.412 5.952 -15.118 638 HG22 ILE 84 2HG2 ILE 84 3.946 4.255 -15.024 639 HG23 ILE 84 3HG2 ILE 84 5.447 4.799 -14.276 640 HD11 ILE 84 3HD1 ILE 84 3.219 5.286 -18.828 641 HD12 ILE 84 1HD1 ILE 84 3.200 4.221 -17.422 642 HD13 ILE 84 2HD1 ILE 84 2.871 5.943 -17.228 643 H ASP 85 H ASP 85 6.980 2.740 -17.413 644 HA ASP 85 HA ASP 85 9.275 2.753 -18.938 645 HB2 ASP 85 1HB ASP 85 6.613 1.459 -19.563 646 HB3 ASP 85 2HB ASP 85 8.122 1.085 -20.391 647 H GLU 86 H GLU 86 9.569 2.983 -21.266 648 HA GLU 86 HA GLU 86 8.610 5.500 -22.187 649 HB2 GLU 86 1HB GLU 86 9.892 4.983 -24.238 650 HB3 GLU 86 2HB GLU 86 10.839 4.759 -22.774 651 HG2 GLU 86 1HG GLU 86 10.383 2.329 -22.908 652 HG3 GLU 86 2HG GLU 86 9.568 2.606 -24.446 653 H ASN 87 H ASN 87 7.934 2.140 -23.065 654 HA ASN 87 HA ASN 87 6.369 2.514 -25.307 655 HB2 ASN 87 1HB ASN 87 6.391 0.447 -23.140 656 HB3 ASN 87 2HB ASN 87 5.112 0.411 -24.351 657 HD21 ASN 87 1HD2 ASN 87 7.126 -1.563 -23.912 658 HD22 ASN 87 2HD2 ASN 87 8.057 -1.674 -25.363 659 H MET 88 H MET 88 5.370 2.579 -21.901 660 HA MET 88 HA MET 88 2.636 3.175 -22.537 661 HB2 MET 88 1HB MET 88 3.660 2.029 -20.411 662 HB3 MET 88 2HB MET 88 3.832 3.682 -19.839 663 HG2 MET 88 1HG MET 88 1.488 4.053 -19.953 664 HG3 MET 88 2HG MET 88 1.231 2.531 -20.803 665 HE1 MET 88 3HE MET 88 -0.511 1.850 -17.398 666 HE2 MET 88 1HE MET 88 -0.296 3.530 -17.893 667 HE3 MET 88 2HE MET 88 -0.710 2.304 -19.091 668 H LYS 89 H LYS 89 5.460 5.012 -21.488 669 HA LYS 89 HA LYS 89 4.240 7.455 -20.946 670 HB2 LYS 89 1HB LYS 89 6.631 6.854 -20.490 671 HB3 LYS 89 2HB LYS 89 6.961 7.074 -22.204 672 HG2 LYS 89 1HG LYS 89 6.164 9.425 -21.984 673 HG3 LYS 89 2HG LYS 89 6.055 9.166 -20.241 674 HD2 LYS 89 1HD LYS 89 8.593 8.642 -21.760 675 HD3 LYS 89 2HD LYS 89 8.188 10.252 -21.160 676 HE2 LYS 89 1HE LYS 89 8.155 9.485 -18.904 677 HE3 LYS 89 2HE LYS 89 8.257 7.800 -19.412 678 HZ1 LYS 89 3HZ LYS 89 10.474 8.057 -20.053 679 HZ2 LYS 89 1HZ LYS 89 10.372 8.887 -18.581 680 HZ3 LYS 89 2HZ LYS 89 10.393 9.747 -20.037 681 H LYS 90 H LYS 90 5.621 6.279 -24.007 682 HA LYS 90 HA LYS 90 5.167 8.493 -25.592 683 HB2 LYS 90 1HB LYS 90 6.346 6.315 -26.199 684 HB3 LYS 90 2HB LYS 90 4.750 5.666 -26.555 685 HG2 LYS 90 1HG LYS 90 5.434 6.354 -28.630 686 HG3 LYS 90 2HG LYS 90 4.540 7.772 -28.076 687 HD2 LYS 90 1HD LYS 90 6.536 8.628 -28.970 688 HD3 LYS 90 2HD LYS 90 6.783 8.642 -27.222 689 HE2 LYS 90 1HE LYS 90 8.011 6.522 -27.395 690 HE3 LYS 90 2HE LYS 90 7.781 6.540 -29.143 691 HZ1 LYS 90 3HZ LYS 90 9.973 7.373 -28.438 692 HZ2 LYS 90 1HZ LYS 90 9.216 8.644 -27.617 693 HZ3 LYS 90 2HZ LYS 90 9.086 8.528 -29.299 694 H VAL 91 H VAL 91 2.935 5.846 -24.826 695 HA VAL 91 HA VAL 91 0.812 6.684 -26.465 696 HB VAL 91 HB VAL 91 0.671 5.149 -23.866 697 HG11 VAL 91 1HG1 VAL 91 -1.322 5.344 -26.123 698 HG12 VAL 91 2HG1 VAL 91 -1.476 4.334 -24.684 699 HG13 VAL 91 3HG1 VAL 91 -1.488 6.092 -24.535 700 HG21 VAL 91 3HG2 VAL 91 1.720 3.539 -24.994 701 HG22 VAL 91 1HG2 VAL 91 0.281 3.420 -26.007 702 HG23 VAL 91 2HG2 VAL 91 1.627 4.445 -26.504 703 H ILE 92 H ILE 92 1.298 7.167 -22.964 704 HA ILE 92 HA ILE 92 -0.930 8.740 -22.470 705 HB ILE 92 HB ILE 92 1.783 8.923 -21.154 706 HG12 ILE 92 1HG1 ILE 92 -0.581 7.563 -19.939 707 HG13 ILE 92 2HG1 ILE 92 0.300 6.723 -21.209 708 HG21 ILE 92 1HG2 ILE 92 0.966 10.678 -20.063 709 HG22 ILE 92 2HG2 ILE 92 -0.621 10.471 -20.801 710 HG23 ILE 92 3HG2 ILE 92 -0.213 9.595 -19.326 711 HD11 ILE 92 3HD1 ILE 92 1.356 5.948 -19.337 712 HD12 ILE 92 1HD1 ILE 92 2.380 7.322 -19.752 713 HD13 ILE 92 2HD1 ILE 92 1.178 7.473 -18.470 714 H LYS 93 H LYS 93 2.349 9.778 -23.376 715 HA LYS 93 HA LYS 93 1.896 12.533 -23.347 716 HB2 LYS 93 1HB LYS 93 4.104 11.229 -23.613 717 HB3 LYS 93 2HB LYS 93 3.724 11.197 -25.330 718 HG2 LYS 93 1HG LYS 93 3.879 13.532 -25.518 719 HG3 LYS 93 2HG LYS 93 3.826 13.758 -23.768 720 HD2 LYS 93 1HD LYS 93 6.017 12.998 -23.486 721 HD3 LYS 93 2HD LYS 93 6.046 12.212 -25.067 722 HE2 LYS 93 1HE LYS 93 5.862 15.194 -24.671 723 HE3 LYS 93 2HE LYS 93 7.378 14.328 -24.916 724 HZ1 LYS 93 3HZ LYS 93 5.517 15.201 -26.844 725 HZ2 LYS 93 1HZ LYS 93 5.649 13.517 -26.929 726 HZ3 LYS 93 2HZ LYS 93 7.029 14.482 -27.082 727 H ALA 94 H ALA 94 1.537 10.190 -25.988 728 HA ALA 94 HA ALA 94 0.876 11.969 -28.030 729 HB1 ALA 94 3HB ALA 94 -0.489 9.883 -28.861 730 HB2 ALA 94 1HB ALA 94 1.274 9.857 -28.821 731 HB3 ALA 94 2HB ALA 94 0.351 9.080 -27.534 732 H THR 95 H THR 95 -1.280 10.212 -25.806 733 HA THR 95 HA THR 95 -3.702 11.204 -26.779 734 HB THR 95 HB THR 95 -3.202 10.582 -23.870 735 HG1 THR 95 HG1 THR 95 -3.802 8.709 -25.932 736 HG21 THR 95 3HG2 THR 95 -5.520 9.771 -23.959 737 HG22 THR 95 1HG2 THR 95 -5.613 10.235 -25.657 738 HG23 THR 95 2HG2 THR 95 -5.410 11.471 -24.415 739 H ALA 96 H ALA 96 -1.655 12.425 -24.138 740 HA ALA 96 HA ALA 96 -3.299 14.619 -23.473 741 HB1 ALA 96 3HB ALA 96 -1.386 13.580 -22.125 742 HB2 ALA 96 1HB ALA 96 -0.323 14.601 -23.094 743 HB3 ALA 96 2HB ALA 96 -1.565 15.334 -22.079 744 H GLU 97 H GLU 97 -0.811 14.163 -25.888 745 HA GLU 97 HA GLU 97 -0.457 16.926 -26.498 746 HB2 GLU 97 1HB GLU 97 1.085 14.893 -27.025 747 HB3 GLU 97 2HB GLU 97 0.081 14.720 -28.458 748 HG2 GLU 97 1HG GLU 97 0.639 17.311 -28.672 749 HG3 GLU 97 2HG GLU 97 2.063 16.801 -27.768 750 H LYS 98 H LYS 98 -2.552 14.374 -27.687 751 HA LYS 98 HA LYS 98 -3.495 15.567 -30.020 752 HB2 LYS 98 1HB LYS 98 -4.961 13.777 -28.073 753 HB3 LYS 98 2HB LYS 98 -5.516 14.157 -29.699 754 HG2 LYS 98 1HG LYS 98 -2.788 13.128 -29.612 755 HG3 LYS 98 2HG LYS 98 -3.997 11.998 -28.996 756 HD2 LYS 98 1HD LYS 98 -5.303 12.326 -31.072 757 HD3 LYS 98 2HD LYS 98 -4.015 13.365 -31.687 758 HE2 LYS 98 1HE LYS 98 -3.664 11.216 -32.625 759 HE3 LYS 98 2HE LYS 98 -2.447 11.424 -31.367 760 HZ1 LYS 98 3HZ LYS 98 -4.963 10.152 -30.605 761 HZ2 LYS 98 1HZ LYS 98 -3.390 9.849 -30.061 762 HZ3 LYS 98 2HZ LYS 98 -3.898 9.248 -31.558 763 H PHE 99 H PHE 99 -4.280 16.189 -26.679 764 HA PHE 99 HA PHE 99 -6.698 17.542 -26.967 765 HB2 PHE 99 1HB PHE 99 -4.478 17.655 -24.962 766 HB3 PHE 99 2HB PHE 99 -5.772 18.846 -24.879 767 HD1 PHE 99 HD1 PHE 99 -8.031 18.194 -24.303 768 HD2 PHE 99 HD2 PHE 99 -4.888 15.329 -24.477 769 HE1 PHE 99 HE1 PHE 99 -9.436 16.583 -23.085 770 HE2 PHE 99 HE2 PHE 99 -6.289 13.713 -23.261 771 HZ PHE 99 HZ PHE 99 -8.567 14.339 -22.564 772 H LYS 100 H LYS 100 -3.503 18.480 -27.837 773 HA LYS 100 HA LYS 100 -3.539 21.223 -27.729 774 HB2 LYS 100 1HB LYS 100 -1.661 19.722 -28.530 775 HB3 LYS 100 2HB LYS 100 -2.474 19.671 -30.089 776 HG2 LYS 100 1HG LYS 100 -2.331 22.190 -30.108 777 HG3 LYS 100 2HG LYS 100 -1.257 22.049 -28.715 778 HD2 LYS 100 1HD LYS 100 0.185 22.161 -30.558 779 HD3 LYS 100 2HD LYS 100 0.111 20.442 -30.163 780 HE2 LYS 100 1HE LYS 100 -1.254 19.960 -31.992 781 HE3 LYS 100 2HE LYS 100 -1.744 21.642 -32.189 782 HZ1 LYS 100 3HZ LYS 100 0.350 22.199 -33.079 783 HZ2 LYS 100 1HZ LYS 100 -0.113 20.774 -33.864 784 HZ3 LYS 100 2HZ LYS 100 1.038 20.721 -32.626 785 H ASN 101 H ASN 101 -5.248 19.116 -29.930 786 HA ASN 101 HA ASN 101 -5.917 20.834 -31.980 787 HB2 ASN 101 1HB ASN 101 -7.367 18.540 -30.696 788 HB3 ASN 101 2HB ASN 101 -8.141 19.468 -31.978 789 HD21 ASN 101 1HD2 ASN 101 -6.149 16.896 -31.279 790 HD22 ASN 101 2HD2 ASN 101 -5.493 16.630 -32.855 791 H LYS 102 H LYS 102 -7.387 20.534 -28.785 792 HA LYS 102 HA LYS 102 -8.825 23.053 -29.297 793 HB2 LYS 102 1HB LYS 102 -9.819 20.636 -27.779 794 HB3 LYS 102 2HB LYS 102 -10.621 22.201 -27.777 795 HG2 LYS 102 1HG LYS 102 -10.086 20.631 -30.284 796 HG3 LYS 102 2HG LYS 102 -11.573 20.488 -29.344 797 HD2 LYS 102 1HD LYS 102 -11.517 23.137 -29.592 798 HD3 LYS 102 2HD LYS 102 -10.595 22.722 -31.039 799 HE2 LYS 102 1HE LYS 102 -12.724 22.713 -31.885 800 HE3 LYS 102 2HE LYS 102 -12.564 21.023 -31.411 801 HZ1 LYS 102 3HZ LYS 102 -13.971 23.179 -29.941 802 HZ2 LYS 102 1HZ LYS 102 -13.644 21.661 -29.271 803 HZ3 LYS 102 2HZ LYS 102 -14.646 21.788 -30.627 804 H GLY 103 H GLY 103 -6.209 22.435 -28.017 805 HA2 GLY 103 1HA GLY 103 -6.649 24.026 -25.625 806 HA3 GLY 103 2HA GLY 103 -6.001 22.416 -25.349 807 H PHE 104 H PHE 104 -5.374 25.580 -26.684 808 HA PHE 104 HA PHE 104 -2.827 25.090 -27.765 809 HB2 PHE 104 1HB PHE 104 -2.538 27.467 -27.794 810 HB3 PHE 104 2HB PHE 104 -4.234 27.144 -28.137 811 HD1 PHE 104 HD1 PHE 104 -1.858 28.412 -25.650 812 HD2 PHE 104 HD2 PHE 104 -5.959 27.802 -26.612 813 HE1 PHE 104 HE1 PHE 104 -2.509 29.903 -23.804 814 HE2 PHE 104 HE2 PHE 104 -6.617 29.292 -24.768 815 HZ PHE 104 HZ PHE 104 -4.891 30.345 -23.362 816 H LYS 105 H LYS 105 -3.900 25.204 -24.538 817 HA LYS 105 HA LYS 105 -1.148 25.558 -23.553 818 HB2 LYS 105 1HB LYS 105 -3.250 26.980 -22.758 819 HB3 LYS 105 2HB LYS 105 -3.483 25.594 -21.700 820 HG2 LYS 105 1HG LYS 105 -2.232 27.306 -20.556 821 HG3 LYS 105 2HG LYS 105 -1.205 25.896 -20.829 822 HD2 LYS 105 1HD LYS 105 -0.005 26.965 -22.539 823 HD3 LYS 105 2HD LYS 105 -1.231 28.220 -22.733 824 HE2 LYS 105 1HE LYS 105 -0.660 29.133 -20.549 825 HE3 LYS 105 2HE LYS 105 0.530 27.854 -20.310 826 HZ1 LYS 105 3HZ LYS 105 1.814 28.701 -22.131 827 HZ2 LYS 105 1HZ LYS 105 1.510 29.969 -21.053 828 HZ3 LYS 105 2HZ LYS 105 0.637 29.859 -22.497 829 H VAL 106 H VAL 106 -0.637 23.356 -24.098 830 HA VAL 106 HA VAL 106 -1.630 21.463 -22.077 831 HB VAL 106 HB VAL 106 -2.686 20.916 -24.226 832 HG11 VAL 106 1HG1 VAL 106 -1.587 20.657 -26.197 833 HG12 VAL 106 2HG1 VAL 106 -0.482 21.802 -25.434 834 HG13 VAL 106 3HG1 VAL 106 -0.111 20.078 -25.426 835 HG21 VAL 106 3HG2 VAL 106 -1.434 19.200 -22.505 836 HG22 VAL 106 1HG2 VAL 106 -2.530 18.721 -23.801 837 HG23 VAL 106 2HG2 VAL 106 -0.787 18.697 -24.066 838 H GLU 107 H GLU 107 -0.115 20.175 -21.137 839 HA GLU 107 HA GLU 107 2.560 20.008 -22.265 840 HB2 GLU 107 1HB GLU 107 1.897 21.445 -19.720 841 HB3 GLU 107 2HB GLU 107 3.439 20.617 -19.880 842 HG2 GLU 107 1HG GLU 107 2.426 22.748 -21.747 843 HG3 GLU 107 2HG GLU 107 3.562 23.012 -20.425 844 H THR 108 H THR 108 3.823 18.321 -21.385 845 HA THR 108 HA THR 108 2.431 16.513 -19.532 846 HB THR 108 HB THR 108 2.912 14.580 -20.834 847 HG1 THR 108 HG1 THR 108 4.145 16.161 -22.838 848 HG21 THR 108 3HG2 THR 108 1.926 16.720 -22.725 849 HG22 THR 108 1HG2 THR 108 0.932 15.862 -21.548 850 HG23 THR 108 2HG2 THR 108 1.668 14.983 -22.888 851 H ASP 109 H ASP 109 3.746 15.283 -18.194 852 HA ASP 109 HA ASP 109 5.552 14.949 -16.842 853 HB2 ASP 109 1HB ASP 109 7.388 15.128 -19.187 854 HB3 ASP 109 2HB ASP 109 7.338 13.939 -17.888 855 H MET 110 H MET 110 4.845 17.517 -16.688 856 HA MET 110 HA MET 110 7.138 19.218 -17.223 857 HB2 MET 110 1HB MET 110 4.587 19.824 -17.381 858 HB3 MET 110 2HB MET 110 4.751 20.112 -15.654 859 HG2 MET 110 1HG MET 110 6.660 21.370 -17.573 860 HG3 MET 110 2HG MET 110 5.060 22.064 -17.322 861 HE1 MET 110 3HE MET 110 6.236 24.620 -14.947 862 HE2 MET 110 1HE MET 110 6.956 24.314 -16.528 863 HE3 MET 110 2HE MET 110 5.217 24.122 -16.299 Start of MODEL 16 1 H MET 1 H MET 1 0.923 -0.251 1.077 2 HA MET 1 HA MET 1 2.128 1.371 -0.622 3 HB2 MET 1 1HB MET 1 3.093 -0.516 -1.797 4 HB3 MET 1 2HB MET 1 2.926 -0.909 -0.091 5 HG2 MET 1 1HG MET 1 1.052 -2.300 -0.506 6 HG3 MET 1 2HG MET 1 0.922 -1.735 -2.170 7 HE1 MET 1 3HE MET 1 3.885 -4.677 -0.371 8 HE2 MET 1 1HE MET 1 2.851 -3.511 0.456 9 HE3 MET 1 2HE MET 1 2.147 -4.957 -0.267 10 H THR 2 H THR 2 -0.756 1.650 -0.994 11 HA THR 2 HA THR 2 -1.271 0.894 -3.741 12 HB THR 2 HB THR 2 -3.165 2.807 -2.694 13 HG1 THR 2 HG1 THR 2 -3.834 1.070 -1.037 14 HG21 THR 2 3HG2 THR 2 -4.688 1.334 -3.538 15 HG22 THR 2 1HG2 THR 2 -3.808 -0.079 -2.957 16 HG23 THR 2 2HG2 THR 2 -3.263 0.765 -4.406 17 H LEU 3 H LEU 3 -1.024 2.142 -5.493 18 HA LEU 3 HA LEU 3 -0.209 4.941 -5.072 19 HB2 LEU 3 1HB LEU 3 0.675 2.828 -6.955 20 HB3 LEU 3 2HB LEU 3 0.646 4.486 -7.551 21 HG LEU 3 HG LEU 3 2.867 3.867 -6.771 22 HD11 LEU 3 1HD1 LEU 3 1.339 6.102 -5.860 23 HD12 LEU 3 2HD1 LEU 3 3.052 6.016 -6.268 24 HD13 LEU 3 3HD1 LEU 3 2.519 5.657 -4.626 25 HD21 LEU 3 3HD2 LEU 3 3.352 3.196 -4.573 26 HD22 LEU 3 1HD2 LEU 3 1.958 2.225 -5.051 27 HD23 LEU 3 2HD2 LEU 3 1.740 3.622 -3.996 28 H CYS 4 H CYS 4 -1.910 6.224 -5.409 29 HA CYS 4 HA CYS 4 -3.569 5.719 -7.792 30 HB2 CYS 4 1HB CYS 4 -4.474 5.703 -5.229 31 HB3 CYS 4 2HB CYS 4 -4.712 7.396 -5.647 32 HG CYS 4 HG CYS 4 -6.673 4.927 -6.273 33 H ALA 5 H ALA 5 -4.102 7.449 -9.102 34 HA ALA 5 HA ALA 5 -2.524 9.890 -8.634 35 HB1 ALA 5 3HB ALA 5 -3.161 10.089 -11.230 36 HB2 ALA 5 1HB ALA 5 -1.727 9.243 -10.647 37 HB3 ALA 5 2HB ALA 5 -3.184 8.334 -11.056 38 H MET 6 H MET 6 -3.458 11.910 -8.860 39 HA MET 6 HA MET 6 -6.366 11.947 -8.605 40 HB2 MET 6 1HB MET 6 -4.282 14.082 -8.125 41 HB3 MET 6 2HB MET 6 -6.011 14.324 -7.919 42 HG2 MET 6 1HG MET 6 -4.771 12.057 -6.475 43 HG3 MET 6 2HG MET 6 -4.404 13.685 -5.911 44 HE1 MET 6 3HE MET 6 -7.496 11.533 -4.014 45 HE2 MET 6 1HE MET 6 -6.495 10.785 -5.259 46 HE3 MET 6 2HE MET 6 -5.740 11.693 -3.949 47 H TYR 7 H TYR 7 -7.692 12.662 -10.151 48 HA TYR 7 HA TYR 7 -6.514 14.119 -12.426 49 HB2 TYR 7 1HB TYR 7 -7.339 11.617 -12.694 50 HB3 TYR 7 2HB TYR 7 -8.916 12.388 -12.821 51 HD1 TYR 7 HD1 TYR 7 -9.168 14.254 -14.579 52 HD2 TYR 7 HD2 TYR 7 -5.954 11.467 -14.565 53 HE1 TYR 7 HE1 TYR 7 -8.746 14.738 -16.953 54 HE2 TYR 7 HE2 TYR 7 -5.522 11.944 -16.938 55 HH TYR 7 HH TYR 7 -5.979 13.984 -18.519 56 H ASN 8 H ASN 8 -7.183 16.159 -12.190 57 HA ASN 8 HA ASN 8 -9.890 16.703 -11.240 58 HB2 ASN 8 1HB ASN 8 -7.689 18.680 -11.866 59 HB3 ASN 8 2HB ASN 8 -9.170 18.992 -10.966 60 HD21 ASN 8 1HD2 ASN 8 -5.964 17.798 -10.853 61 HD22 ASN 8 2HD2 ASN 8 -5.914 17.450 -9.162 62 H ILE 9 H ILE 9 -11.268 16.345 -12.916 63 HA ILE 9 HA ILE 9 -10.714 17.702 -15.465 64 HB ILE 9 HB ILE 9 -11.149 15.297 -15.645 65 HG12 ILE 9 1HG1 ILE 9 -13.392 17.007 -16.743 66 HG13 ILE 9 2HG1 ILE 9 -11.813 16.778 -17.487 67 HG21 ILE 9 1HG2 ILE 9 -13.901 15.897 -14.574 68 HG22 ILE 9 2HG2 ILE 9 -13.264 14.326 -15.057 69 HG23 ILE 9 3HG2 ILE 9 -12.608 15.144 -13.640 70 HD11 ILE 9 3HD1 ILE 9 -14.160 15.239 -17.812 71 HD12 ILE 9 1HD1 ILE 9 -12.581 15.011 -18.563 72 HD13 ILE 9 2HD1 ILE 9 -12.950 14.222 -17.029 73 H SER 10 H SER 10 -11.881 19.408 -16.071 74 HA SER 10 HA SER 10 -14.478 19.886 -14.782 75 HB2 SER 10 1HB SER 10 -13.563 22.430 -15.068 76 HB3 SER 10 2HB SER 10 -13.433 21.501 -13.575 77 HG SER 10 HG SER 10 -11.337 21.048 -14.029 78 H MET 11 H MET 11 -15.974 19.986 -16.308 79 HA MET 11 HA MET 11 -15.314 20.444 -19.059 80 HB2 MET 11 1HB MET 11 -17.205 18.970 -18.006 81 HB3 MET 11 2HB MET 11 -18.125 20.468 -18.026 82 HG2 MET 11 1HG MET 11 -18.090 20.600 -20.352 83 HG3 MET 11 2HG MET 11 -16.759 19.452 -20.487 84 HE1 MET 11 3HE MET 11 -20.176 19.758 -21.552 85 HE2 MET 11 1HE MET 11 -21.160 18.590 -20.671 86 HE3 MET 11 2HE MET 11 -20.522 20.008 -19.840 87 H ALA 12 H ALA 12 -16.638 22.033 -20.371 88 HA ALA 12 HA ALA 12 -15.996 24.634 -19.719 89 HB1 ALA 12 3HB ALA 12 -16.505 24.545 -21.916 90 HB2 ALA 12 1HB ALA 12 -17.784 23.353 -21.682 91 HB3 ALA 12 2HB ALA 12 -18.095 25.057 -21.348 92 H GLY 13 H GLY 13 -16.706 25.964 -18.192 93 HA2 GLY 13 1HA GLY 13 -18.088 27.017 -16.691 94 HA3 GLY 13 2HA GLY 13 -19.431 26.488 -17.694 95 H SER 14 H SER 14 -17.040 24.802 -15.655 96 HA SER 14 HA SER 14 -19.170 23.853 -13.920 97 HB2 SER 14 1HB SER 14 -17.375 21.901 -15.380 98 HB3 SER 14 2HB SER 14 -18.633 21.498 -14.212 99 HG SER 14 HG SER 14 -20.173 22.093 -15.653 100 H HIS 15 H HIS 15 -18.122 22.289 -12.219 101 HA HIS 15 HA HIS 15 -15.812 23.718 -11.159 102 HB2 HIS 15 1HB HIS 15 -17.946 21.987 -10.010 103 HB3 HIS 15 2HB HIS 15 -16.393 22.024 -9.181 104 HD1 HIS 15 HD1 HIS 15 -16.864 23.433 -7.184 105 HD2 HIS 15 HD2 HIS 15 -18.295 25.146 -10.689 106 HE1 HIS 15 HE1 HIS 15 -17.682 25.720 -6.530 107 HA PRO 16 HA PRO 16 -12.831 20.587 -11.894 108 HB2 PRO 16 1HB PRO 16 -11.387 20.593 -9.596 109 HB3 PRO 16 2HB PRO 16 -11.311 21.901 -10.782 110 HG2 PRO 16 1HG PRO 16 -12.857 21.754 -8.223 111 HG3 PRO 16 2HG PRO 16 -11.924 23.106 -8.890 112 HD2 PRO 16 1HD PRO 16 -14.621 22.965 -9.077 113 HD3 PRO 16 2HD PRO 16 -13.616 23.731 -10.324 114 H THR 17 H THR 17 -13.676 18.575 -12.055 115 HA THR 17 HA THR 17 -14.753 17.199 -9.752 116 HB THR 17 HB THR 17 -14.340 16.250 -12.593 117 HG1 THR 17 HG1 THR 17 -16.014 17.966 -11.839 118 HG21 THR 17 3HG2 THR 17 -16.274 14.659 -11.527 119 HG22 THR 17 1HG2 THR 17 -15.198 14.868 -10.146 120 HG23 THR 17 2HG2 THR 17 -14.573 14.212 -11.659 121 H THR 18 H THR 18 -13.511 16.162 -8.349 122 HA THR 18 HA THR 18 -10.798 15.422 -9.020 123 HB THR 18 HB THR 18 -12.014 14.591 -6.432 124 HG1 THR 18 HG1 THR 18 -12.404 16.580 -5.792 125 HG21 THR 18 3HG2 THR 18 -9.788 15.617 -5.667 126 HG22 THR 18 1HG2 THR 18 -9.376 15.676 -7.381 127 HG23 THR 18 2HG2 THR 18 -9.721 14.128 -6.609 128 H ILE 19 H ILE 19 -10.545 13.630 -10.205 129 HA ILE 19 HA ILE 19 -12.122 11.249 -9.485 130 HB ILE 19 HB ILE 19 -10.669 11.679 -12.090 131 HG12 ILE 19 1HG1 ILE 19 -13.581 12.199 -11.451 132 HG13 ILE 19 2HG1 ILE 19 -12.373 13.425 -11.823 133 HG21 ILE 19 1HG2 ILE 19 -11.625 9.738 -12.817 134 HG22 ILE 19 2HG2 ILE 19 -11.481 9.368 -11.099 135 HG23 ILE 19 3HG2 ILE 19 -13.027 9.903 -11.759 136 HD11 ILE 19 3HD1 ILE 19 -13.824 12.944 -13.726 137 HD12 ILE 19 1HD1 ILE 19 -12.141 12.543 -14.067 138 HD13 ILE 19 2HD1 ILE 19 -13.296 11.262 -13.699 139 H CYS 20 H CYS 20 -11.020 9.860 -8.281 140 HA CYS 20 HA CYS 20 -8.114 9.779 -8.416 141 HB2 CYS 20 1HB CYS 20 -9.926 8.164 -6.617 142 HB3 CYS 20 2HB CYS 20 -8.206 8.472 -6.406 143 HG CYS 20 HG CYS 20 -10.692 10.113 -5.153 144 H VAL 21 H VAL 21 -7.123 8.450 -9.768 145 HA VAL 21 HA VAL 21 -8.350 5.832 -10.330 146 HB VAL 21 HB VAL 21 -6.823 7.455 -12.366 147 HG11 VAL 21 1HG1 VAL 21 -8.292 5.689 -13.765 148 HG12 VAL 21 2HG1 VAL 21 -6.646 5.368 -13.215 149 HG13 VAL 21 3HG1 VAL 21 -8.021 4.760 -12.291 150 HG21 VAL 21 3HG2 VAL 21 -9.551 7.715 -11.494 151 HG22 VAL 21 1HG2 VAL 21 -8.659 8.667 -12.680 152 HG23 VAL 21 2HG2 VAL 21 -9.490 7.193 -13.178 153 H VAL 22 H VAL 22 -7.044 4.128 -10.074 154 HA VAL 22 HA VAL 22 -4.544 4.333 -8.854 155 HB VAL 22 HB VAL 22 -4.258 1.919 -9.453 156 HG11 VAL 22 1HG1 VAL 22 -6.761 2.930 -8.149 157 HG12 VAL 22 2HG1 VAL 22 -6.409 1.203 -8.238 158 HG13 VAL 22 3HG1 VAL 22 -5.299 2.289 -7.400 159 HG21 VAL 22 3HG2 VAL 22 -5.356 1.062 -11.183 160 HG22 VAL 22 1HG2 VAL 22 -6.886 1.375 -10.364 161 HG23 VAL 22 2HG2 VAL 22 -6.190 2.596 -11.428 162 H MET 23 H MET 23 -2.436 4.009 -9.590 163 HA MET 23 HA MET 23 -1.728 5.223 -11.990 164 HB2 MET 23 1HB MET 23 -0.226 4.910 -10.028 165 HB3 MET 23 2HB MET 23 -0.089 3.207 -10.446 166 HG2 MET 23 1HG MET 23 0.619 4.294 -12.787 167 HG3 MET 23 2HG MET 23 1.143 5.574 -11.695 168 HE1 MET 23 3HE MET 23 3.375 1.954 -12.829 169 HE2 MET 23 1HE MET 23 1.703 1.558 -12.430 170 HE3 MET 23 2HE MET 23 2.052 2.818 -13.613 171 H ASP 24 H ASP 24 -2.599 1.936 -11.311 172 HA ASP 24 HA ASP 24 -1.494 0.815 -13.702 173 HB2 ASP 24 1HB ASP 24 -3.491 -0.195 -11.679 174 HB3 ASP 24 2HB ASP 24 -3.032 -1.130 -13.099 175 H ARG 25 H ARG 25 -4.417 2.458 -12.876 176 HA ARG 25 HA ARG 25 -5.551 1.783 -15.510 177 HB2 ARG 25 1HB ARG 25 -6.815 1.228 -13.302 178 HB3 ARG 25 2HB ARG 25 -7.163 2.951 -13.265 179 HG2 ARG 25 1HG ARG 25 -9.016 2.158 -14.341 180 HG3 ARG 25 2HG ARG 25 -7.976 2.534 -15.716 181 HD2 ARG 25 1HD ARG 25 -9.006 0.357 -16.007 182 HD3 ARG 25 2HD ARG 25 -7.263 0.188 -15.802 183 HE ARG 25 HE ARG 25 -7.634 -0.953 -13.847 184 HH11 ARG 25 1HH1 ARG 25 -10.574 0.625 -14.840 185 HH12 ARG 25 2HH1 ARG 25 -11.554 -0.167 -13.652 186 HH21 ARG 25 1HH2 ARG 25 -8.914 -2.002 -12.278 187 HH22 ARG 25 2HH2 ARG 25 -10.609 -1.661 -12.194 188 H PHE 26 H PHE 26 -3.669 4.006 -14.361 189 HA PHE 26 HA PHE 26 -5.047 6.455 -14.730 190 HB2 PHE 26 1HB PHE 26 -3.010 6.419 -13.440 191 HB3 PHE 26 2HB PHE 26 -2.100 5.789 -14.810 192 HD1 PHE 26 HD1 PHE 26 -1.530 7.232 -16.693 193 HD2 PHE 26 HD2 PHE 26 -3.561 8.742 -13.271 194 HE1 PHE 26 HE1 PHE 26 -0.978 9.528 -17.383 195 HE2 PHE 26 HE2 PHE 26 -3.014 11.041 -13.956 196 HZ PHE 26 HZ PHE 26 -1.722 11.436 -16.015 197 H LEU 27 H LEU 27 -2.678 4.784 -16.809 198 HA LEU 27 HA LEU 27 -2.869 6.486 -19.003 199 HB2 LEU 27 1HB LEU 27 -1.130 4.780 -18.718 200 HB3 LEU 27 2HB LEU 27 -2.330 3.519 -18.993 201 HG LEU 27 HG LEU 27 -2.552 4.108 -21.282 202 HD11 LEU 27 1HD1 LEU 27 -2.521 6.302 -21.718 203 HD12 LEU 27 2HD1 LEU 27 -0.783 6.083 -21.916 204 HD13 LEU 27 3HD1 LEU 27 -1.429 6.654 -20.378 205 HD21 LEU 27 3HD2 LEU 27 -0.369 3.667 -22.122 206 HD22 LEU 27 1HD2 LEU 27 -0.519 2.816 -20.584 207 HD23 LEU 27 2HD2 LEU 27 0.390 4.325 -20.671 208 H GLU 28 H GLU 28 -4.711 3.547 -18.253 209 HA GLU 28 HA GLU 28 -6.214 3.453 -20.619 210 HB2 GLU 28 1HB GLU 28 -7.203 2.557 -17.915 211 HB3 GLU 28 2HB GLU 28 -7.647 1.918 -19.492 212 HG2 GLU 28 1HG GLU 28 -4.992 1.480 -19.533 213 HG3 GLU 28 2HG GLU 28 -5.310 1.343 -17.804 214 H SER 29 H SER 29 -6.983 4.900 -17.463 215 HA SER 29 HA SER 29 -9.528 5.840 -18.039 216 HB2 SER 29 1HB SER 29 -9.303 7.270 -16.156 217 HB3 SER 29 2HB SER 29 -8.302 5.862 -15.798 218 HG SER 29 HG SER 29 -7.460 8.194 -15.563 219 H PHE 30 H PHE 30 -6.399 7.438 -18.540 220 HA PHE 30 HA PHE 30 -7.429 9.855 -19.552 221 HB2 PHE 30 1HB PHE 30 -5.088 9.511 -18.746 222 HB3 PHE 30 2HB PHE 30 -4.763 8.589 -20.210 223 HD1 PHE 30 HD2 PHE 30 -6.665 11.750 -19.730 224 HD2 PHE 30 HD1 PHE 30 -3.266 9.843 -21.441 225 HE1 PHE 30 HE2 PHE 30 -6.095 13.832 -20.911 226 HE2 PHE 30 HE1 PHE 30 -2.690 11.923 -22.624 227 HZ PHE 30 HZ PHE 30 -4.106 13.920 -22.360 228 H SER 31 H SER 31 -6.412 6.866 -21.150 229 HA SER 31 HA SER 31 -6.604 7.700 -23.798 230 HB2 SER 31 1HB SER 31 -6.848 5.048 -22.429 231 HB3 SER 31 2HB SER 31 -7.251 5.168 -24.141 232 HG SER 31 HG SER 31 -5.108 6.237 -24.315 233 H GLU 32 H GLU 32 -9.090 6.179 -21.754 234 HA GLU 32 HA GLU 32 -11.131 6.357 -23.731 235 HB2 GLU 32 1HB GLU 32 -11.100 4.739 -21.808 236 HB3 GLU 32 2HB GLU 32 -11.488 6.084 -20.745 237 HG2 GLU 32 1HG GLU 32 -13.564 6.456 -22.012 238 HG3 GLU 32 2HG GLU 32 -13.181 5.054 -23.010 239 H LEU 33 H LEU 33 -10.188 8.353 -20.977 240 HA LEU 33 HA LEU 33 -12.339 10.093 -20.873 241 HB2 LEU 33 1HB LEU 33 -10.581 10.095 -19.211 242 HB3 LEU 33 2HB LEU 33 -9.415 10.657 -20.407 243 HG LEU 33 HG LEU 33 -11.326 12.626 -20.473 244 HD11 LEU 33 1HD1 LEU 33 -12.600 12.103 -18.638 245 HD12 LEU 33 2HD1 LEU 33 -11.383 13.151 -17.910 246 HD13 LEU 33 3HD1 LEU 33 -11.244 11.400 -17.757 247 HD21 LEU 33 3HD2 LEU 33 -9.026 13.139 -20.514 248 HD22 LEU 33 1HD2 LEU 33 -8.744 12.368 -18.953 249 HD23 LEU 33 2HD2 LEU 33 -9.650 13.879 -19.039 250 H TYR 34 H TYR 34 -9.486 10.189 -22.959 251 HA TYR 34 HA TYR 34 -10.063 12.686 -24.161 252 HB2 TYR 34 1HB TYR 34 -7.833 11.883 -24.335 253 HB3 TYR 34 2HB TYR 34 -8.360 10.347 -25.015 254 HD1 TYR 34 HD2 TYR 34 -8.379 14.004 -25.760 255 HD2 TYR 34 HD1 TYR 34 -8.294 10.044 -27.314 256 HE1 TYR 34 HE2 TYR 34 -8.062 14.906 -28.025 257 HE2 TYR 34 HE1 TYR 34 -7.975 10.936 -29.584 258 HH TYR 34 HH TYR 34 -7.511 12.778 -30.790 259 H ASP 35 H ASP 35 -11.357 9.539 -24.588 260 HA ASP 35 HA ASP 35 -12.356 10.028 -27.260 261 HB2 ASP 35 1HB ASP 35 -11.893 7.742 -25.678 262 HB3 ASP 35 2HB ASP 35 -13.633 7.805 -25.945 263 H ILE 36 H ILE 36 -13.488 10.253 -23.973 264 HA ILE 36 HA ILE 36 -16.245 10.671 -24.812 265 HB ILE 36 HB ILE 36 -16.020 9.375 -22.823 266 HG12 ILE 36 1HG1 ILE 36 -16.823 12.185 -22.037 267 HG13 ILE 36 2HG1 ILE 36 -17.862 11.030 -22.864 268 HG21 ILE 36 1HG2 ILE 36 -13.828 9.932 -22.097 269 HG22 ILE 36 2HG2 ILE 36 -14.275 11.616 -21.829 270 HG23 ILE 36 3HG2 ILE 36 -14.925 10.354 -20.783 271 HD11 ILE 36 3HD1 ILE 36 -17.644 9.523 -20.910 272 HD12 ILE 36 1HD1 ILE 36 -16.745 10.795 -20.083 273 HD13 ILE 36 2HD1 ILE 36 -18.426 11.061 -20.545 274 H ILE 37 H ILE 37 -13.484 12.479 -23.654 275 HA ILE 37 HA ILE 37 -14.767 14.871 -22.954 276 HB ILE 37 HB ILE 37 -12.350 14.253 -22.512 277 HG12 ILE 37 1HG1 ILE 37 -11.690 16.794 -23.247 278 HG13 ILE 37 2HG1 ILE 37 -13.447 16.877 -23.294 279 HG21 ILE 37 1HG2 ILE 37 -10.700 14.576 -24.131 280 HG22 ILE 37 2HG2 ILE 37 -11.981 13.726 -24.994 281 HG23 ILE 37 3HG2 ILE 37 -11.787 15.467 -25.195 282 HD11 ILE 37 3HD1 ILE 37 -13.642 16.381 -21.021 283 HD12 ILE 37 1HD1 ILE 37 -11.985 15.786 -20.918 284 HD13 ILE 37 2HD1 ILE 37 -12.292 17.511 -21.122 285 H ASP 38 H ASP 38 -14.073 13.474 -26.032 286 HA ASP 38 HA ASP 38 -13.925 15.666 -27.705 287 HB2 ASP 38 1HB ASP 38 -13.820 13.114 -28.226 288 HB3 ASP 38 2HB ASP 38 -15.555 13.269 -28.487 289 H GLU 39 H GLU 39 -16.686 14.351 -26.035 290 HA GLU 39 HA GLU 39 -18.444 16.273 -27.399 291 HB2 GLU 39 1HB GLU 39 -20.297 14.910 -26.367 292 HB3 GLU 39 2HB GLU 39 -19.330 14.073 -27.573 293 HG2 GLU 39 1HG GLU 39 -18.118 12.898 -25.865 294 HG3 GLU 39 2HG GLU 39 -18.930 13.822 -24.602 295 H ASN 40 H ASN 40 -20.115 17.316 -26.031 296 HA ASN 40 HA ASN 40 -18.952 18.086 -23.441 297 HB2 ASN 40 1HB ASN 40 -20.492 20.120 -23.734 298 HB3 ASN 40 2HB ASN 40 -19.082 20.018 -24.784 299 HD21 ASN 40 1HD2 ASN 40 -22.525 19.912 -24.592 300 HD22 ASN 40 2HD2 ASN 40 -22.832 19.917 -26.293 301 H ASP 41 H ASP 41 -20.336 15.741 -23.417 302 HA ASP 41 HA ASP 41 -23.048 16.334 -22.509 303 HB2 ASP 41 1HB ASP 41 -21.580 13.828 -23.248 304 HB3 ASP 41 2HB ASP 41 -23.021 13.728 -22.239 305 H THR 42 H THR 42 -23.331 16.855 -20.452 306 HA THR 42 HA THR 42 -21.369 16.133 -18.448 307 HB THR 42 HB THR 42 -23.966 17.551 -17.895 308 HG1 THR 42 HG1 THR 42 -23.194 19.342 -18.775 309 HG21 THR 42 3HG2 THR 42 -21.928 16.746 -16.248 310 HG22 THR 42 1HG2 THR 42 -23.065 18.048 -15.898 311 HG23 THR 42 2HG2 THR 42 -21.489 18.418 -16.599 312 H ASP 43 H ASP 43 -24.458 15.041 -19.537 313 HA ASP 43 HA ASP 43 -25.338 13.750 -17.183 314 HB2 ASP 43 1HB ASP 43 -25.985 13.458 -20.099 315 HB3 ASP 43 2HB ASP 43 -26.632 12.311 -18.930 316 H VAL 44 H VAL 44 -23.063 12.872 -19.661 317 HA VAL 44 HA VAL 44 -22.928 10.105 -18.761 318 HB VAL 44 HB VAL 44 -22.781 10.612 -21.178 319 HG11 VAL 44 1HG1 VAL 44 -20.211 11.973 -20.385 320 HG12 VAL 44 2HG1 VAL 44 -20.648 11.557 -22.043 321 HG13 VAL 44 3HG1 VAL 44 -21.623 12.714 -21.137 322 HG21 VAL 44 3HG2 VAL 44 -21.675 8.615 -20.026 323 HG22 VAL 44 1HG2 VAL 44 -21.134 9.015 -21.656 324 HG23 VAL 44 2HG2 VAL 44 -20.155 9.477 -20.264 325 H MET 45 H MET 45 -21.306 13.110 -18.292 326 HA MET 45 HA MET 45 -18.736 12.342 -17.626 327 HB2 MET 45 1HB MET 45 -20.519 14.584 -16.835 328 HB3 MET 45 2HB MET 45 -19.083 14.319 -15.854 329 HG2 MET 45 1HG MET 45 -17.922 14.247 -18.228 330 HG3 MET 45 2HG MET 45 -19.326 15.215 -18.668 331 HE1 MET 45 3HE MET 45 -15.587 16.053 -16.659 332 HE2 MET 45 1HE MET 45 -16.607 15.837 -15.236 333 HE3 MET 45 2HE MET 45 -16.516 14.567 -16.457 334 H MET 46 H MET 46 -21.547 12.600 -15.449 335 HA MET 46 HA MET 46 -20.328 11.774 -13.104 336 HB2 MET 46 1HB MET 46 -22.618 11.007 -12.418 337 HB3 MET 46 2HB MET 46 -22.550 12.654 -13.031 338 HG2 MET 46 1HG MET 46 -23.295 11.767 -15.247 339 HG3 MET 46 2HG MET 46 -23.550 10.210 -14.463 340 HE1 MET 46 3HE MET 46 -25.079 10.372 -11.896 341 HE2 MET 46 1HE MET 46 -26.722 10.527 -12.519 342 HE3 MET 46 2HE MET 46 -25.553 9.506 -13.358 343 H ASP 47 H ASP 47 -21.892 9.792 -15.602 344 HA ASP 47 HA ASP 47 -21.588 7.306 -14.364 345 HB2 ASP 47 1HB ASP 47 -23.015 7.614 -16.317 346 HB3 ASP 47 2HB ASP 47 -21.608 7.981 -17.313 347 H PHE 48 H PHE 48 -19.395 9.118 -16.459 348 HA PHE 48 HA PHE 48 -17.437 7.090 -16.697 349 HB2 PHE 48 1HB PHE 48 -17.380 8.842 -18.299 350 HB3 PHE 48 2HB PHE 48 -17.339 10.083 -17.050 351 HD1 PHE 48 HD2 PHE 48 -15.371 7.350 -18.587 352 HD2 PHE 48 HD1 PHE 48 -15.306 10.881 -16.212 353 HE1 PHE 48 HE2 PHE 48 -12.914 7.382 -18.708 354 HE2 PHE 48 HE1 PHE 48 -12.849 10.919 -16.330 355 HZ PHE 48 HZ PHE 48 -11.649 9.168 -17.578 356 H ILE 49 H ILE 49 -17.657 9.934 -14.573 357 HA ILE 49 HA ILE 49 -15.275 9.608 -13.188 358 HB ILE 49 HB ILE 49 -17.895 10.662 -12.116 359 HG12 ILE 49 1HG1 ILE 49 -15.645 12.431 -12.929 360 HG13 ILE 49 2HG1 ILE 49 -16.577 11.673 -14.215 361 HG21 ILE 49 1HG2 ILE 49 -16.881 10.869 -10.155 362 HG22 ILE 49 2HG2 ILE 49 -15.402 10.178 -10.818 363 HG23 ILE 49 3HG2 ILE 49 -15.678 11.917 -10.905 364 HD11 ILE 49 3HD1 ILE 49 -18.585 12.701 -13.464 365 HD12 ILE 49 1HD1 ILE 49 -17.803 13.286 -11.996 366 HD13 ILE 49 2HD1 ILE 49 -17.343 13.949 -13.565 367 H SER 50 H SER 50 -18.480 8.266 -12.452 368 HA SER 50 HA SER 50 -17.568 6.856 -10.134 369 HB2 SER 50 1HB SER 50 -19.951 7.640 -10.583 370 HB3 SER 50 2HB SER 50 -20.088 6.277 -11.694 371 HG SER 50 HG SER 50 -20.065 4.909 -10.050 372 H ARG 51 H ARG 51 -17.784 6.171 -13.529 373 HA ARG 51 HA ARG 51 -17.720 3.354 -13.415 374 HB2 ARG 51 1HB ARG 51 -18.328 4.421 -15.471 375 HB3 ARG 51 2HB ARG 51 -16.808 5.303 -15.530 376 HG2 ARG 51 1HG ARG 51 -16.829 3.466 -17.121 377 HG3 ARG 51 2HG ARG 51 -15.598 3.219 -15.881 378 HD2 ARG 51 1HD ARG 51 -17.175 1.738 -14.676 379 HD3 ARG 51 2HD ARG 51 -18.320 1.927 -16.003 380 HE ARG 51 HE ARG 51 -15.865 1.040 -17.034 381 HH11 ARG 51 1HH1 ARG 51 -18.509 -0.085 -15.069 382 HH12 ARG 51 2HH1 ARG 51 -18.306 -1.746 -15.517 383 HH21 ARG 51 1HH2 ARG 51 -15.587 -1.143 -17.631 384 HH22 ARG 51 2HH2 ARG 51 -16.643 -2.347 -16.974 385 H PHE 52 H PHE 52 -15.119 5.756 -13.742 386 HA PHE 52 HA PHE 52 -13.103 3.679 -13.477 387 HB2 PHE 52 1HB PHE 52 -13.104 6.564 -14.216 388 HB3 PHE 52 2HB PHE 52 -11.628 5.900 -13.523 389 HD1 PHE 52 HD1 PHE 52 -10.372 4.170 -14.695 390 HD2 PHE 52 HD2 PHE 52 -13.852 5.929 -16.402 391 HE1 PHE 52 HE1 PHE 52 -9.743 3.269 -16.896 392 HE2 PHE 52 HE2 PHE 52 -13.229 5.029 -18.606 393 HZ PHE 52 HZ PHE 52 -11.173 3.696 -18.855 394 H ALA 53 H ALA 53 -13.938 6.707 -11.792 395 HA ALA 53 HA ALA 53 -12.271 6.054 -9.541 396 HB1 ALA 53 3HB ALA 53 -14.111 8.133 -8.909 397 HB2 ALA 53 1HB ALA 53 -12.377 8.244 -9.215 398 HB3 ALA 53 2HB ALA 53 -13.520 8.380 -10.552 399 H ARG 54 H ARG 54 -12.853 4.525 -8.147 400 HA ARG 54 HA ARG 54 -15.548 3.674 -7.790 401 HB2 ARG 54 1HB ARG 54 -13.277 2.392 -7.446 402 HB3 ARG 54 2HB ARG 54 -13.397 3.032 -5.812 403 HG2 ARG 54 1HG ARG 54 -14.444 1.036 -5.523 404 HG3 ARG 54 2HG ARG 54 -15.831 2.030 -5.971 405 HD2 ARG 54 1HD ARG 54 -15.214 1.301 -8.396 406 HD3 ARG 54 2HD ARG 54 -14.354 -0.006 -7.584 407 HE ARG 54 HE ARG 54 -17.046 0.275 -6.663 408 HH11 ARG 54 1HH1 ARG 54 -15.049 -1.058 -9.184 409 HH12 ARG 54 2HH1 ARG 54 -16.175 -2.309 -9.594 410 HH21 ARG 54 1HH2 ARG 54 -18.536 -1.368 -7.193 411 HH22 ARG 54 2HH2 ARG 54 -18.159 -2.484 -8.461 412 H THR 55 H THR 55 -16.994 4.123 -6.201 413 HA THR 55 HA THR 55 -16.475 6.484 -4.594 414 HB THR 55 HB THR 55 -18.894 6.235 -3.939 415 HG1 THR 55 HG1 THR 55 -19.514 4.206 -4.284 416 HG21 THR 55 3HG2 THR 55 -17.803 6.830 -6.581 417 HG22 THR 55 1HG2 THR 55 -18.958 7.737 -5.605 418 HG23 THR 55 2HG2 THR 55 -19.513 6.402 -6.615 419 H ASP 56 H ASP 56 -14.845 5.277 -3.294 420 HA ASP 56 HA ASP 56 -16.170 3.879 -1.065 421 HB2 ASP 56 1HB ASP 56 -13.663 3.178 -2.546 422 HB3 ASP 56 2HB ASP 56 -13.801 2.765 -0.839 423 H GLU 57 H GLU 57 -14.611 3.842 0.911 424 HA GLU 57 HA GLU 57 -14.020 6.599 1.514 425 HB2 GLU 57 1HB GLU 57 -15.043 4.714 3.048 426 HB3 GLU 57 2HB GLU 57 -13.354 4.360 3.379 427 HG2 GLU 57 1HG GLU 57 -14.345 7.159 3.632 428 HG3 GLU 57 2HG GLU 57 -14.684 5.990 4.907 429 H ILE 58 H ILE 58 -12.141 7.505 1.038 430 HA ILE 58 HA ILE 58 -9.832 6.002 0.317 431 HB ILE 58 HB ILE 58 -10.344 8.238 -0.624 432 HG12 ILE 58 1HG1 ILE 58 -7.901 9.159 -0.024 433 HG13 ILE 58 2HG1 ILE 58 -7.739 7.531 0.625 434 HG21 ILE 58 1HG2 ILE 58 -11.101 9.201 1.568 435 HG22 ILE 58 2HG2 ILE 58 -9.401 9.344 2.011 436 HG23 ILE 58 3HG2 ILE 58 -10.029 10.236 0.626 437 HD11 ILE 58 3HD1 ILE 58 -7.403 6.718 -1.400 438 HD12 ILE 58 1HD1 ILE 58 -8.918 7.413 -1.975 439 HD13 ILE 58 2HD1 ILE 58 -7.435 8.365 -2.028 440 H MET 59 H MET 59 -8.117 5.389 1.493 441 HA MET 59 HA MET 59 -8.139 6.040 4.353 442 HB2 MET 59 1HB MET 59 -7.185 3.725 2.747 443 HB3 MET 59 2HB MET 59 -6.299 4.108 4.217 444 HG2 MET 59 1HG MET 59 -8.690 4.144 5.281 445 HG3 MET 59 2HG MET 59 -9.095 3.155 3.881 446 HE1 MET 59 3HE MET 59 -9.236 0.883 4.028 447 HE2 MET 59 1HE MET 59 -8.563 -0.173 5.272 448 HE3 MET 59 2HE MET 59 -9.774 1.035 5.702 449 HA PRO 60 HA PRO 60 -4.464 8.431 4.216 450 HB2 PRO 60 1HB PRO 60 -3.155 7.628 6.455 451 HB3 PRO 60 2HB PRO 60 -4.614 8.624 6.501 452 HG2 PRO 60 1HG PRO 60 -4.322 5.672 6.901 453 HG3 PRO 60 2HG PRO 60 -5.304 6.833 7.813 454 HD2 PRO 60 1HD PRO 60 -6.352 5.213 5.913 455 HD3 PRO 60 2HD PRO 60 -6.985 6.840 6.237 456 H GLU 61 H GLU 61 -4.151 4.961 4.422 457 HA GLU 61 HA GLU 61 -1.366 4.743 4.096 458 HB2 GLU 61 1HB GLU 61 -3.695 2.933 3.642 459 HB3 GLU 61 2HB GLU 61 -2.135 2.471 2.976 460 HG2 GLU 61 1HG GLU 61 -1.157 2.681 5.239 461 HG3 GLU 61 2HG GLU 61 -2.771 3.006 5.867 462 H ASP 62 H ASP 62 -4.000 5.020 1.768 463 HA ASP 62 HA ASP 62 -2.623 4.461 -0.578 464 HB2 ASP 62 1HB ASP 62 -4.922 6.337 -0.028 465 HB3 ASP 62 2HB ASP 62 -4.318 6.027 -1.653 466 H LYS 63 H LYS 63 -1.141 5.495 -1.765 467 HA LYS 63 HA LYS 63 -0.400 8.229 -0.950 468 HB2 LYS 63 1HB LYS 63 1.254 6.274 -0.611 469 HB3 LYS 63 2HB LYS 63 1.449 6.318 -2.358 470 HG2 LYS 63 1HG LYS 63 2.526 8.338 -2.328 471 HG3 LYS 63 2HG LYS 63 1.764 8.846 -0.819 472 HD2 LYS 63 1HD LYS 63 3.613 6.508 -0.780 473 HD3 LYS 63 2HD LYS 63 4.298 8.132 -0.893 474 HE2 LYS 63 1HE LYS 63 3.164 8.787 1.141 475 HE3 LYS 63 2HE LYS 63 2.353 7.225 1.227 476 HZ1 LYS 63 3HZ LYS 63 4.085 6.399 2.303 477 HZ2 LYS 63 1HZ LYS 63 4.822 7.922 2.296 478 HZ3 LYS 63 2HZ LYS 63 5.134 6.826 1.047 479 H THR 64 H THR 64 0.338 9.672 -2.609 480 HA THR 64 HA THR 64 -1.228 9.478 -5.003 481 HB THR 64 HB THR 64 0.906 11.545 -4.724 482 HG1 THR 64 HG1 THR 64 -1.213 11.129 -2.947 483 HG21 THR 64 3HG2 THR 64 -1.558 12.702 -5.285 484 HG22 THR 64 1HG2 THR 64 -1.592 11.166 -6.149 485 HG23 THR 64 2HG2 THR 64 -0.290 12.317 -6.448 486 H VAL 65 H VAL 65 -0.552 9.184 -7.096 487 HA VAL 65 HA VAL 65 2.236 8.287 -7.441 488 HB VAL 65 HB VAL 65 0.523 6.483 -7.672 489 HG11 VAL 65 1HG1 VAL 65 -0.307 7.335 -10.337 490 HG12 VAL 65 2HG1 VAL 65 -1.254 6.636 -9.022 491 HG13 VAL 65 3HG1 VAL 65 -0.918 8.368 -9.044 492 HG21 VAL 65 3HG2 VAL 65 2.789 6.664 -8.919 493 HG22 VAL 65 1HG2 VAL 65 1.624 5.441 -9.426 494 HG23 VAL 65 2HG2 VAL 65 1.789 6.936 -10.346 495 H GLY 66 H GLY 66 -0.175 10.489 -8.421 496 HA2 GLY 66 1HA GLY 66 1.556 12.011 -10.014 497 HA3 GLY 66 2HA GLY 66 0.597 10.997 -11.082 498 H PHE 67 H PHE 67 0.516 13.806 -11.102 499 HA PHE 67 HA PHE 67 -2.251 14.257 -10.205 500 HB2 PHE 67 1HB PHE 67 -0.121 16.397 -10.286 501 HB3 PHE 67 2HB PHE 67 -1.741 16.521 -9.609 502 HD1 PHE 67 HD1 PHE 67 1.605 15.071 -9.139 503 HD2 PHE 67 HD2 PHE 67 -2.227 15.746 -7.414 504 HE1 PHE 67 HE1 PHE 67 2.481 14.403 -6.938 505 HE2 PHE 67 HE2 PHE 67 -1.357 15.080 -5.211 506 HZ PHE 67 HZ PHE 67 1.000 14.408 -4.971 507 H VAL 68 H VAL 68 -3.622 15.017 -11.704 508 HA VAL 68 HA VAL 68 -2.507 16.098 -14.203 509 HB VAL 68 HB VAL 68 -4.701 14.038 -13.962 510 HG11 VAL 68 1HG1 VAL 68 -5.594 15.013 -15.762 511 HG12 VAL 68 2HG1 VAL 68 -4.180 16.039 -16.013 512 HG13 VAL 68 3HG1 VAL 68 -4.200 14.391 -16.644 513 HG21 VAL 68 3HG2 VAL 68 -3.226 12.684 -15.378 514 HG22 VAL 68 1HG2 VAL 68 -2.019 13.970 -15.344 515 HG23 VAL 68 2HG2 VAL 68 -2.446 13.121 -13.858 516 H VAL 69 H VAL 69 -3.478 17.890 -14.947 517 HA VAL 69 HA VAL 69 -6.001 18.714 -13.662 518 HB VAL 69 HB VAL 69 -3.757 20.501 -14.613 519 HG11 VAL 69 1HG1 VAL 69 -5.292 22.104 -14.710 520 HG12 VAL 69 2HG1 VAL 69 -6.541 21.013 -14.108 521 HG13 VAL 69 3HG1 VAL 69 -5.533 21.912 -12.974 522 HG21 VAL 69 3HG2 VAL 69 -3.336 20.975 -12.300 523 HG22 VAL 69 1HG2 VAL 69 -4.713 19.992 -11.800 524 HG23 VAL 69 2HG2 VAL 69 -3.297 19.226 -12.521 525 H VAL 70 H VAL 70 -7.635 18.664 -15.047 526 HA VAL 70 HA VAL 70 -7.137 19.462 -17.842 527 HB VAL 70 HB VAL 70 -9.052 17.346 -16.851 528 HG11 VAL 70 1HG1 VAL 70 -8.895 17.239 -19.629 529 HG12 VAL 70 2HG1 VAL 70 -10.262 17.799 -18.663 530 HG13 VAL 70 3HG1 VAL 70 -9.063 18.953 -19.250 531 HG21 VAL 70 3HG2 VAL 70 -6.984 16.307 -16.906 532 HG22 VAL 70 1HG2 VAL 70 -7.603 15.987 -18.526 533 HG23 VAL 70 2HG2 VAL 70 -6.421 17.270 -18.272 534 H ASN 71 H ASN 71 -8.042 21.378 -18.182 535 HA ASN 71 HA ASN 71 -10.748 21.851 -17.125 536 HB2 ASN 71 1HB ASN 71 -8.496 23.870 -17.258 537 HB3 ASN 71 2HB ASN 71 -10.153 24.223 -16.777 538 HD21 ASN 71 1HD2 ASN 71 -10.168 24.590 -14.682 539 HD22 ASN 71 2HD2 ASN 71 -9.386 23.630 -13.477 540 H ALA 72 H ALA 72 -12.048 21.851 -18.838 541 HA ALA 72 HA ALA 72 -11.144 22.583 -21.462 542 HB1 ALA 72 3HB ALA 72 -13.676 22.312 -21.950 543 HB2 ALA 72 1HB ALA 72 -12.720 20.892 -21.524 544 HB3 ALA 72 2HB ALA 72 -13.746 21.661 -20.312 545 H ASP 73 H ASP 73 -12.858 24.145 -18.861 546 HA ASP 73 HA ASP 73 -13.815 26.334 -20.462 547 HB2 ASP 73 1HB ASP 73 -14.759 27.185 -18.489 548 HB3 ASP 73 2HB ASP 73 -14.829 25.439 -18.269 549 H LYS 74 H LYS 74 -11.050 25.694 -18.398 550 HA LYS 74 HA LYS 74 -10.082 28.430 -18.711 551 HB2 LYS 74 1HB LYS 74 -8.781 26.142 -17.229 552 HB3 LYS 74 2HB LYS 74 -8.386 27.851 -17.099 553 HG2 LYS 74 1HG LYS 74 -10.904 28.039 -16.367 554 HG3 LYS 74 2HG LYS 74 -10.675 26.337 -15.957 555 HD2 LYS 74 1HD LYS 74 -10.087 27.375 -13.982 556 HD3 LYS 74 2HD LYS 74 -8.518 27.206 -14.773 557 HE2 LYS 74 1HE LYS 74 -8.595 29.495 -15.518 558 HE3 LYS 74 2HE LYS 74 -10.237 29.680 -14.904 559 HZ1 LYS 74 3HZ LYS 74 -8.712 30.656 -13.364 560 HZ2 LYS 74 1HZ LYS 74 -7.780 29.245 -13.296 561 HZ3 LYS 74 2HZ LYS 74 -9.346 29.256 -12.657 562 H LYS 75 H LYS 75 -9.807 25.427 -20.233 563 HA LYS 75 HA LYS 75 -8.538 24.668 -21.961 564 HB2 LYS 75 1HB LYS 75 -8.970 27.144 -22.657 565 HB3 LYS 75 2HB LYS 75 -7.277 27.376 -22.241 566 HG2 LYS 75 1HG LYS 75 -6.791 25.440 -23.821 567 HG3 LYS 75 2HG LYS 75 -8.450 25.642 -24.389 568 HD2 LYS 75 1HD LYS 75 -7.175 26.931 -25.867 569 HD3 LYS 75 2HD LYS 75 -7.832 28.107 -24.726 570 HE2 LYS 75 1HE LYS 75 -5.798 28.481 -23.732 571 HE3 LYS 75 2HE LYS 75 -5.181 26.882 -24.145 572 HZ1 LYS 75 3HZ LYS 75 -4.083 28.592 -25.434 573 HZ2 LYS 75 1HZ LYS 75 -5.566 29.136 -26.040 574 HZ3 LYS 75 2HZ LYS 75 -4.997 27.597 -26.452 575 H LEU 76 H LEU 76 -7.515 23.843 -19.737 576 HA LEU 76 HA LEU 76 -4.627 24.132 -20.106 577 HB2 LEU 76 1HB LEU 76 -5.827 24.100 -17.355 578 HB3 LEU 76 2HB LEU 76 -4.168 24.470 -17.822 579 HG LEU 76 HG LEU 76 -6.528 26.222 -18.489 580 HD11 LEU 76 1HD1 LEU 76 -4.516 26.765 -16.333 581 HD12 LEU 76 2HD1 LEU 76 -6.014 25.895 -16.004 582 HD13 LEU 76 3HD1 LEU 76 -6.071 27.545 -16.622 583 HD21 LEU 76 3HD2 LEU 76 -4.154 26.196 -19.708 584 HD22 LEU 76 1HD2 LEU 76 -3.745 27.215 -18.328 585 HD23 LEU 76 2HD2 LEU 76 -5.057 27.682 -19.409 586 H MET 77 H MET 77 -3.814 22.178 -20.431 587 HA MET 77 HA MET 77 -4.969 19.907 -18.956 588 HB2 MET 77 1HB MET 77 -4.378 20.186 -21.869 589 HB3 MET 77 2HB MET 77 -4.152 18.613 -21.114 590 HG2 MET 77 1HG MET 77 -6.309 18.470 -21.882 591 HG3 MET 77 2HG MET 77 -6.550 18.979 -20.212 592 HE1 MET 77 3HE MET 77 -8.896 20.050 -23.156 593 HE2 MET 77 1HE MET 77 -8.670 18.930 -21.812 594 HE3 MET 77 2HE MET 77 -9.453 20.487 -21.540 595 H SER 78 H SER 78 -3.407 19.687 -17.426 596 HA SER 78 HA SER 78 -0.646 19.301 -18.381 597 HB2 SER 78 1HB SER 78 -0.079 20.837 -16.847 598 HB3 SER 78 2HB SER 78 -1.721 20.875 -16.204 599 HG SER 78 HG SER 78 -0.510 20.134 -14.551 600 H VAL 79 H VAL 79 0.592 17.618 -17.452 601 HA VAL 79 HA VAL 79 -0.796 15.665 -15.788 602 HB VAL 79 HB VAL 79 -0.095 13.796 -17.291 603 HG11 VAL 79 1HG1 VAL 79 -1.904 15.443 -18.954 604 HG12 VAL 79 2HG1 VAL 79 -2.103 13.800 -18.342 605 HG13 VAL 79 3HG1 VAL 79 -2.384 15.179 -17.278 606 HG21 VAL 79 3HG2 VAL 79 0.328 14.368 -19.675 607 HG22 VAL 79 1HG2 VAL 79 0.456 16.062 -19.202 608 HG23 VAL 79 2HG2 VAL 79 1.614 14.885 -18.584 609 H SER 80 H SER 80 0.526 14.864 -14.290 610 HA SER 80 HA SER 80 3.372 14.577 -14.837 611 HB2 SER 80 1HB SER 80 2.544 16.017 -12.327 612 HB3 SER 80 2HB SER 80 4.137 15.937 -13.079 613 HG SER 80 HG SER 80 1.899 17.473 -13.802 614 H PHE 81 H PHE 81 3.274 12.389 -14.588 615 HA PHE 81 HA PHE 81 2.464 11.409 -11.930 616 HB2 PHE 81 1HB PHE 81 2.105 9.186 -13.197 617 HB3 PHE 81 2HB PHE 81 0.892 10.449 -13.376 618 HD1 PHE 81 HD2 PHE 81 0.737 11.735 -15.457 619 HD2 PHE 81 HD1 PHE 81 3.457 8.489 -15.034 620 HE1 PHE 81 HE2 PHE 81 1.005 11.646 -17.901 621 HE2 PHE 81 HE1 PHE 81 3.730 8.394 -17.477 622 HZ PHE 81 HZ PHE 81 2.503 9.973 -18.914 623 H SER 82 H SER 82 3.517 9.181 -11.490 624 HA SER 82 HA SER 82 6.232 9.505 -11.148 625 HB2 SER 82 1HB SER 82 4.765 7.807 -10.004 626 HB3 SER 82 2HB SER 82 4.865 6.825 -11.465 627 HG SER 82 HG SER 82 6.827 7.404 -9.562 628 H ASP 83 H ASP 83 8.073 8.819 -12.209 629 HA ASP 83 HA ASP 83 8.028 8.860 -15.019 630 HB2 ASP 83 1HB ASP 83 10.152 8.074 -13.028 631 HB3 ASP 83 2HB ASP 83 10.439 8.039 -14.766 632 H ILE 84 H ILE 84 6.994 7.322 -16.138 633 HA ILE 84 HA ILE 84 7.363 4.513 -15.377 634 HB ILE 84 HB ILE 84 5.521 4.076 -17.018 635 HG12 ILE 84 1HG1 ILE 84 5.138 7.072 -16.962 636 HG13 ILE 84 2HG1 ILE 84 5.921 6.225 -18.292 637 HG21 ILE 84 1HG2 ILE 84 5.225 4.400 -14.534 638 HG22 ILE 84 2HG2 ILE 84 4.710 6.047 -14.896 639 HG23 ILE 84 3HG2 ILE 84 3.789 4.678 -15.519 640 HD11 ILE 84 3HD1 ILE 84 3.593 4.835 -18.030 641 HD12 ILE 84 1HD1 ILE 84 3.094 6.479 -17.629 642 HD13 ILE 84 2HD1 ILE 84 3.878 6.146 -19.174 643 H ASP 85 H ASP 85 7.115 3.090 -17.551 644 HA ASP 85 HA ASP 85 9.566 3.141 -18.819 645 HB2 ASP 85 1HB ASP 85 7.032 2.068 -20.066 646 HB3 ASP 85 2HB ASP 85 8.682 1.528 -20.362 647 H GLU 86 H GLU 86 9.977 3.434 -21.188 648 HA GLU 86 HA GLU 86 9.271 6.106 -21.934 649 HB2 GLU 86 1HB GLU 86 10.695 5.700 -23.899 650 HB3 GLU 86 2HB GLU 86 11.498 5.245 -22.403 651 HG2 GLU 86 1HG GLU 86 10.914 2.892 -22.839 652 HG3 GLU 86 2HG GLU 86 10.201 3.379 -24.375 653 H ASN 87 H ASN 87 8.439 2.871 -23.080 654 HA ASN 87 HA ASN 87 7.107 3.479 -25.419 655 HB2 ASN 87 1HB ASN 87 6.749 1.321 -23.367 656 HB3 ASN 87 2HB ASN 87 5.622 1.442 -24.715 657 HD21 ASN 87 1HD2 ASN 87 8.956 0.925 -23.808 658 HD22 ASN 87 2HD2 ASN 87 9.442 0.170 -25.284 659 H MET 88 H MET 88 5.696 3.254 -22.152 660 HA MET 88 HA MET 88 3.097 3.994 -22.830 661 HB2 MET 88 1HB MET 88 4.685 4.261 -20.289 662 HB3 MET 88 2HB MET 88 3.019 4.814 -20.390 663 HG2 MET 88 1HG MET 88 2.184 2.733 -20.364 664 HG3 MET 88 2HG MET 88 3.488 2.083 -21.355 665 HE1 MET 88 3HE MET 88 1.703 2.156 -18.490 666 HE2 MET 88 1HE MET 88 2.457 0.752 -17.734 667 HE3 MET 88 2HE MET 88 2.726 2.363 -17.068 668 H LYS 89 H LYS 89 5.951 5.936 -22.277 669 HA LYS 89 HA LYS 89 4.707 8.440 -21.959 670 HB2 LYS 89 1HB LYS 89 7.216 7.663 -21.684 671 HB3 LYS 89 2HB LYS 89 7.343 8.211 -23.350 672 HG2 LYS 89 1HG LYS 89 6.432 10.415 -22.614 673 HG3 LYS 89 2HG LYS 89 6.543 9.839 -20.949 674 HD2 LYS 89 1HD LYS 89 8.930 9.740 -22.757 675 HD3 LYS 89 2HD LYS 89 8.488 11.240 -21.937 676 HE2 LYS 89 1HE LYS 89 8.532 9.997 -19.781 677 HE3 LYS 89 2HE LYS 89 9.130 8.586 -20.654 678 HZ1 LYS 89 3HZ LYS 89 10.483 11.191 -20.266 679 HZ2 LYS 89 1HZ LYS 89 10.999 10.065 -21.418 680 HZ3 LYS 89 2HZ LYS 89 11.008 9.660 -19.776 681 H LYS 90 H LYS 90 5.304 6.481 -24.750 682 HA LYS 90 HA LYS 90 5.114 8.529 -26.712 683 HB2 LYS 90 1HB LYS 90 4.567 5.565 -26.960 684 HB3 LYS 90 2HB LYS 90 4.782 6.679 -28.303 685 HG2 LYS 90 1HG LYS 90 7.076 7.169 -27.193 686 HG3 LYS 90 2HG LYS 90 6.803 5.629 -26.374 687 HD2 LYS 90 1HD LYS 90 6.455 5.805 -29.336 688 HD3 LYS 90 2HD LYS 90 8.081 5.705 -28.656 689 HE2 LYS 90 1HE LYS 90 7.503 3.640 -27.519 690 HE3 LYS 90 2HE LYS 90 5.844 3.756 -28.103 691 HZ1 LYS 90 3HZ LYS 90 8.296 3.146 -29.622 692 HZ2 LYS 90 1HZ LYS 90 6.932 3.764 -30.409 693 HZ3 LYS 90 2HZ LYS 90 6.835 2.296 -29.576 694 H VAL 91 H VAL 91 2.771 6.056 -25.649 695 HA VAL 91 HA VAL 91 0.606 7.076 -27.138 696 HB VAL 91 HB VAL 91 0.558 4.804 -26.303 697 HG11 VAL 91 1HG1 VAL 91 0.319 4.282 -23.948 698 HG12 VAL 91 2HG1 VAL 91 1.798 5.208 -24.213 699 HG13 VAL 91 3HG1 VAL 91 0.371 5.996 -23.538 700 HG21 VAL 91 3HG2 VAL 91 -1.692 4.708 -25.812 701 HG22 VAL 91 1HG2 VAL 91 -1.633 6.128 -24.767 702 HG23 VAL 91 2HG2 VAL 91 -1.562 6.318 -26.519 703 H ILE 92 H ILE 92 1.745 7.708 -23.864 704 HA ILE 92 HA ILE 92 -0.483 9.243 -23.028 705 HB ILE 92 HB ILE 92 2.370 9.253 -22.043 706 HG12 ILE 92 1HG1 ILE 92 -0.050 8.065 -20.697 707 HG13 ILE 92 2HG1 ILE 92 0.908 7.147 -21.854 708 HG21 ILE 92 1HG2 ILE 92 1.807 11.150 -21.005 709 HG22 ILE 92 2HG2 ILE 92 0.095 10.945 -21.372 710 HG23 ILE 92 3HG2 ILE 92 0.800 10.135 -19.973 711 HD11 ILE 92 3HD1 ILE 92 2.850 8.036 -20.215 712 HD12 ILE 92 1HD1 ILE 92 1.504 7.907 -19.083 713 HD13 ILE 92 2HD1 ILE 92 2.011 6.498 -20.015 714 H LYS 93 H LYS 93 2.645 10.118 -24.447 715 HA LYS 93 HA LYS 93 2.278 12.915 -24.321 716 HB2 LYS 93 1HB LYS 93 4.070 11.096 -25.888 717 HB3 LYS 93 2HB LYS 93 4.003 12.807 -26.290 718 HG2 LYS 93 1HG LYS 93 4.467 11.972 -23.464 719 HG3 LYS 93 2HG LYS 93 5.794 11.921 -24.628 720 HD2 LYS 93 1HD LYS 93 4.094 14.372 -24.250 721 HD3 LYS 93 2HD LYS 93 5.518 14.058 -23.256 722 HE2 LYS 93 1HE LYS 93 5.473 14.265 -26.266 723 HE3 LYS 93 2HE LYS 93 6.040 15.512 -25.157 724 HZ1 LYS 93 3HZ LYS 93 8.019 14.552 -25.130 725 HZ2 LYS 93 1HZ LYS 93 7.484 13.380 -26.226 726 HZ3 LYS 93 2HZ LYS 93 7.354 13.104 -24.562 727 H ALA 94 H ALA 94 1.558 10.519 -26.819 728 HA ALA 94 HA ALA 94 0.765 12.340 -28.823 729 HB1 ALA 94 3HB ALA 94 -0.699 9.935 -29.125 730 HB2 ALA 94 1HB ALA 94 0.746 10.457 -29.992 731 HB3 ALA 94 2HB ALA 94 0.899 9.517 -28.507 732 H THR 95 H THR 95 -1.147 10.471 -26.471 733 HA THR 95 HA THR 95 -3.664 11.444 -27.236 734 HB THR 95 HB THR 95 -2.845 10.565 -24.461 735 HG1 THR 95 HG1 THR 95 -3.769 9.051 -26.696 736 HG21 THR 95 3HG2 THR 95 -4.985 11.518 -24.300 737 HG22 THR 95 1HG2 THR 95 -5.289 9.790 -24.473 738 HG23 THR 95 2HG2 THR 95 -5.490 10.865 -25.858 739 H ALA 96 H ALA 96 -1.337 12.631 -24.846 740 HA ALA 96 HA ALA 96 -2.981 14.693 -23.815 741 HB1 ALA 96 3HB ALA 96 -0.057 14.093 -23.716 742 HB2 ALA 96 1HB ALA 96 -0.655 15.649 -23.140 743 HB3 ALA 96 2HB ALA 96 -1.236 14.154 -22.407 744 H GLU 97 H GLU 97 -0.681 14.539 -26.477 745 HA GLU 97 HA GLU 97 -0.645 17.340 -26.990 746 HB2 GLU 97 1HB GLU 97 1.020 15.476 -27.738 747 HB3 GLU 97 2HB GLU 97 -0.081 15.278 -29.095 748 HG2 GLU 97 1HG GLU 97 0.853 18.020 -28.466 749 HG3 GLU 97 2HG GLU 97 2.004 16.899 -29.191 750 H LYS 98 H LYS 98 -2.614 14.659 -28.094 751 HA LYS 98 HA LYS 98 -3.865 15.926 -30.270 752 HB2 LYS 98 1HB LYS 98 -4.831 13.721 -28.446 753 HB3 LYS 98 2HB LYS 98 -5.675 14.222 -29.905 754 HG2 LYS 98 1HG LYS 98 -2.821 13.541 -30.215 755 HG3 LYS 98 2HG LYS 98 -3.916 12.210 -29.834 756 HD2 LYS 98 1HD LYS 98 -5.374 13.199 -31.739 757 HD3 LYS 98 2HD LYS 98 -3.886 14.015 -32.224 758 HE2 LYS 98 1HE LYS 98 -4.051 11.964 -33.448 759 HE3 LYS 98 2HE LYS 98 -2.758 11.796 -32.262 760 HZ1 LYS 98 3HZ LYS 98 -3.880 10.227 -31.132 761 HZ2 LYS 98 1HZ LYS 98 -4.684 9.997 -32.603 762 HZ3 LYS 98 2HZ LYS 98 -5.392 10.940 -31.391 763 H PHE 99 H PHE 99 -4.459 16.040 -26.828 764 HA PHE 99 HA PHE 99 -7.043 17.062 -26.782 765 HB2 PHE 99 1HB PHE 99 -4.743 17.022 -24.945 766 HB3 PHE 99 2HB PHE 99 -5.872 18.346 -24.673 767 HD1 PHE 99 HD2 PHE 99 -8.201 17.885 -24.065 768 HD2 PHE 99 HD1 PHE 99 -5.339 14.762 -24.476 769 HE1 PHE 99 HE2 PHE 99 -9.696 16.359 -22.845 770 HE2 PHE 99 HE1 PHE 99 -6.830 13.230 -23.258 771 HZ PHE 99 HZ PHE 99 -9.012 14.028 -22.440 772 H LYS 100 H LYS 100 -4.114 18.531 -27.806 773 HA LYS 100 HA LYS 100 -4.477 21.214 -27.363 774 HB2 LYS 100 1HB LYS 100 -3.058 21.627 -29.232 775 HB3 LYS 100 2HB LYS 100 -2.528 20.110 -28.518 776 HG2 LYS 100 1HG LYS 100 -3.844 18.907 -30.252 777 HG3 LYS 100 2HG LYS 100 -4.178 20.466 -31.009 778 HD2 LYS 100 1HD LYS 100 -1.397 19.437 -30.476 779 HD3 LYS 100 2HD LYS 100 -2.255 19.181 -31.997 780 HE2 LYS 100 1HE LYS 100 -2.562 21.752 -31.972 781 HE3 LYS 100 2HE LYS 100 -1.250 21.735 -30.795 782 HZ1 LYS 100 3HZ LYS 100 -1.016 20.402 -33.427 783 HZ2 LYS 100 1HZ LYS 100 0.221 20.828 -32.355 784 HZ3 LYS 100 2HZ LYS 100 -0.611 22.029 -33.206 785 H ASN 101 H ASN 101 -6.221 19.138 -29.544 786 HA ASN 101 HA ASN 101 -7.313 20.921 -31.339 787 HB2 ASN 101 1HB ASN 101 -9.361 19.348 -31.239 788 HB3 ASN 101 2HB ASN 101 -7.811 18.662 -31.719 789 HD21 ASN 101 1HD2 ASN 101 -8.603 16.611 -31.105 790 HD22 ASN 101 2HD2 ASN 101 -8.657 16.141 -29.443 791 H LYS 102 H LYS 102 -8.080 20.452 -27.968 792 HA LYS 102 HA LYS 102 -9.993 22.683 -28.147 793 HB2 LYS 102 1HB LYS 102 -11.416 21.664 -26.516 794 HB3 LYS 102 2HB LYS 102 -11.115 20.470 -27.772 795 HG2 LYS 102 1HG LYS 102 -9.511 19.338 -26.376 796 HG3 LYS 102 2HG LYS 102 -9.662 20.587 -25.138 797 HD2 LYS 102 1HD LYS 102 -11.989 18.924 -26.075 798 HD3 LYS 102 2HD LYS 102 -10.951 18.446 -24.730 799 HE2 LYS 102 1HE LYS 102 -11.481 20.625 -23.642 800 HE3 LYS 102 2HE LYS 102 -12.634 20.939 -24.937 801 HZ1 LYS 102 3HZ LYS 102 -12.780 18.979 -22.757 802 HZ2 LYS 102 1HZ LYS 102 -13.557 18.630 -24.219 803 HZ3 LYS 102 2HZ LYS 102 -13.976 20.019 -23.349 804 H GLY 103 H GLY 103 -7.065 21.760 -27.055 805 HA2 GLY 103 1HA GLY 103 -6.959 23.920 -25.141 806 HA3 GLY 103 2HA GLY 103 -6.753 22.328 -24.425 807 H PHE 104 H PHE 104 -5.447 24.536 -26.859 808 HA PHE 104 HA PHE 104 -3.176 23.170 -27.610 809 HB2 PHE 104 1HB PHE 104 -3.746 26.104 -27.294 810 HB3 PHE 104 2HB PHE 104 -2.159 25.548 -27.813 811 HD1 PHE 104 HD1 PHE 104 -5.738 25.622 -28.683 812 HD2 PHE 104 HD2 PHE 104 -1.787 24.769 -30.017 813 HE1 PHE 104 HE1 PHE 104 -6.558 25.463 -30.997 814 HE2 PHE 104 HE2 PHE 104 -2.600 24.610 -32.334 815 HZ PHE 104 HZ PHE 104 -4.988 24.957 -32.827 816 H LYS 105 H LYS 105 -3.840 24.838 -24.624 817 HA LYS 105 HA LYS 105 -1.144 24.937 -23.696 818 HB2 LYS 105 1HB LYS 105 -3.220 26.295 -22.911 819 HB3 LYS 105 2HB LYS 105 -3.532 24.908 -21.876 820 HG2 LYS 105 1HG LYS 105 -2.286 26.077 -20.416 821 HG3 LYS 105 2HG LYS 105 -0.948 25.331 -21.293 822 HD2 LYS 105 1HD LYS 105 -0.298 27.530 -21.336 823 HD3 LYS 105 2HD LYS 105 -1.218 27.443 -22.840 824 HE2 LYS 105 1HE LYS 105 -3.193 28.311 -21.651 825 HE3 LYS 105 2HE LYS 105 -2.230 28.445 -20.180 826 HZ1 LYS 105 3HZ LYS 105 -0.886 30.102 -21.156 827 HZ2 LYS 105 1HZ LYS 105 -2.483 30.538 -21.503 828 HZ3 LYS 105 2HZ LYS 105 -1.520 29.832 -22.701 829 H VAL 106 H VAL 106 -0.506 22.733 -24.186 830 HA VAL 106 HA VAL 106 -1.471 20.781 -22.200 831 HB VAL 106 HB VAL 106 -0.091 20.186 -24.820 832 HG11 VAL 106 1HG1 VAL 106 -0.617 17.898 -24.401 833 HG12 VAL 106 2HG1 VAL 106 0.175 18.531 -22.957 834 HG13 VAL 106 3HG1 VAL 106 -1.576 18.317 -22.982 835 HG21 VAL 106 3HG2 VAL 106 -2.358 19.344 -25.501 836 HG22 VAL 106 1HG2 VAL 106 -3.009 20.156 -24.077 837 HG23 VAL 106 2HG2 VAL 106 -2.228 21.096 -25.348 838 H GLU 107 H GLU 107 -0.061 19.892 -20.800 839 HA GLU 107 HA GLU 107 2.810 20.192 -21.265 840 HB2 GLU 107 1HB GLU 107 1.560 20.969 -18.631 841 HB3 GLU 107 2HB GLU 107 3.238 21.159 -19.120 842 HG2 GLU 107 1HG GLU 107 2.511 22.778 -20.839 843 HG3 GLU 107 2HG GLU 107 0.864 22.639 -20.227 844 H THR 108 H THR 108 4.002 18.513 -20.536 845 HA THR 108 HA THR 108 2.699 16.548 -18.777 846 HB THR 108 HB THR 108 3.434 14.700 -20.087 847 HG1 THR 108 HG1 THR 108 4.581 16.401 -22.032 848 HG21 THR 108 3HG2 THR 108 1.504 16.371 -20.945 849 HG22 THR 108 1HG2 THR 108 1.907 14.858 -21.755 850 HG23 THR 108 2HG2 THR 108 2.562 16.382 -22.355 851 H ASP 109 H ASP 109 4.081 15.342 -17.449 852 HA ASP 109 HA ASP 109 6.692 16.590 -17.024 853 HB2 ASP 109 1HB ASP 109 4.990 16.304 -15.150 854 HB3 ASP 109 2HB ASP 109 5.337 14.579 -15.229 855 H MET 110 H MET 110 8.291 15.676 -18.144 856 HA MET 110 HA MET 110 8.326 13.123 -19.233 857 HB2 MET 110 1HB MET 110 10.758 13.439 -19.481 858 HB3 MET 110 2HB MET 110 9.854 14.866 -19.970 859 HG2 MET 110 1HG MET 110 11.451 15.886 -18.747 860 HG3 MET 110 2HG MET 110 10.312 15.545 -17.447 861 HE1 MET 110 3HE MET 110 14.436 14.916 -17.819 862 HE2 MET 110 1HE MET 110 13.275 16.244 -17.779 863 HE3 MET 110 2HE MET 110 13.861 15.539 -16.272 Start of MODEL 17 1 H MET 1 H MET 1 2.367 -2.396 -1.764 2 HA MET 1 HA MET 1 0.690 -0.665 -0.096 3 HB2 MET 1 1HB MET 1 3.296 0.045 -1.385 4 HB3 MET 1 2HB MET 1 2.045 1.273 -1.240 5 HG2 MET 1 1HG MET 1 3.397 1.556 0.640 6 HG3 MET 1 2HG MET 1 1.973 0.698 1.227 7 HE1 MET 1 3HE MET 1 5.995 -0.062 2.251 8 HE2 MET 1 1HE MET 1 4.904 1.317 2.111 9 HE3 MET 1 2HE MET 1 4.657 0.124 3.386 10 H THR 2 H THR 2 -0.519 0.935 -1.332 11 HA THR 2 HA THR 2 -1.064 -0.014 -4.067 12 HB THR 2 HB THR 2 -2.941 1.519 -2.260 13 HG1 THR 2 HG1 THR 2 -2.624 -1.260 -2.748 14 HG21 THR 2 3HG2 THR 2 -3.799 1.904 -4.346 15 HG22 THR 2 1HG2 THR 2 -4.546 0.342 -4.015 16 HG23 THR 2 2HG2 THR 2 -3.103 0.433 -5.025 17 H LEU 3 H LEU 3 -1.081 1.398 -5.752 18 HA LEU 3 HA LEU 3 -0.438 4.209 -5.140 19 HB2 LEU 3 1HB LEU 3 1.389 2.708 -6.153 20 HB3 LEU 3 2HB LEU 3 0.444 2.801 -7.638 21 HG LEU 3 HG LEU 3 0.670 5.332 -7.431 22 HD11 LEU 3 1HD1 LEU 3 3.140 5.370 -6.091 23 HD12 LEU 3 2HD1 LEU 3 2.008 4.525 -5.036 24 HD13 LEU 3 3HD1 LEU 3 1.632 6.149 -5.611 25 HD21 LEU 3 3HD2 LEU 3 2.981 3.497 -7.999 26 HD22 LEU 3 1HD2 LEU 3 3.063 5.236 -8.285 27 HD23 LEU 3 2HD2 LEU 3 1.872 4.256 -9.142 28 H CYS 4 H CYS 4 -1.492 5.786 -6.269 29 HA CYS 4 HA CYS 4 -3.236 5.043 -8.482 30 HB2 CYS 4 1HB CYS 4 -4.249 6.383 -5.967 31 HB3 CYS 4 2HB CYS 4 -5.175 6.203 -7.452 32 HG CYS 4 HG CYS 4 -3.996 3.551 -5.642 33 H ALA 5 H ALA 5 -4.156 6.952 -9.579 34 HA ALA 5 HA ALA 5 -2.409 9.306 -9.260 35 HB1 ALA 5 3HB ALA 5 -1.829 9.144 -11.395 36 HB2 ALA 5 1HB ALA 5 -2.743 7.639 -11.505 37 HB3 ALA 5 2HB ALA 5 -3.522 9.175 -11.889 38 H MET 6 H MET 6 -3.318 11.345 -9.450 39 HA MET 6 HA MET 6 -6.207 11.430 -9.040 40 HB2 MET 6 1HB MET 6 -3.969 13.374 -8.544 41 HB3 MET 6 2HB MET 6 -5.645 13.908 -8.543 42 HG2 MET 6 1HG MET 6 -4.785 11.603 -6.847 43 HG3 MET 6 2HG MET 6 -4.517 13.261 -6.316 44 HE1 MET 6 3HE MET 6 -7.648 11.315 -4.594 45 HE2 MET 6 1HE MET 6 -7.266 10.386 -6.044 46 HE3 MET 6 2HE MET 6 -5.968 10.950 -4.991 47 H TYR 7 H TYR 7 -7.559 11.971 -10.614 48 HA TYR 7 HA TYR 7 -6.483 13.397 -12.956 49 HB2 TYR 7 1HB TYR 7 -7.618 10.945 -12.974 50 HB3 TYR 7 2HB TYR 7 -9.049 11.943 -13.210 51 HD1 TYR 7 HD2 TYR 7 -8.373 14.029 -14.956 52 HD2 TYR 7 HD1 TYR 7 -6.836 10.062 -14.948 53 HE1 TYR 7 HE2 TYR 7 -7.838 14.238 -17.347 54 HE2 TYR 7 HE1 TYR 7 -6.295 10.261 -17.339 55 HH TYR 7 HH TYR 7 -6.364 13.246 -18.997 56 H ASN 8 H ASN 8 -7.015 15.477 -12.874 57 HA ASN 8 HA ASN 8 -9.568 16.273 -11.686 58 HB2 ASN 8 1HB ASN 8 -7.186 17.333 -11.220 59 HB3 ASN 8 2HB ASN 8 -7.568 18.264 -12.666 60 HD21 ASN 8 1HD2 ASN 8 -8.521 17.540 -9.389 61 HD22 ASN 8 2HD2 ASN 8 -9.518 18.933 -9.164 62 H ILE 9 H ILE 9 -11.255 16.602 -12.961 63 HA ILE 9 HA ILE 9 -10.797 17.643 -15.675 64 HB ILE 9 HB ILE 9 -11.327 15.269 -15.863 65 HG12 ILE 9 1HG1 ILE 9 -13.634 17.051 -16.676 66 HG13 ILE 9 2HG1 ILE 9 -12.154 16.798 -17.594 67 HG21 ILE 9 1HG2 ILE 9 -13.941 15.892 -14.503 68 HG22 ILE 9 2HG2 ILE 9 -13.367 14.319 -15.052 69 HG23 ILE 9 3HG2 ILE 9 -12.568 15.128 -13.705 70 HD11 ILE 9 3HD1 ILE 9 -14.560 15.328 -17.692 71 HD12 ILE 9 1HD1 ILE 9 -13.073 15.065 -18.603 72 HD13 ILE 9 2HD1 ILE 9 -13.309 14.264 -17.049 73 H SER 10 H SER 10 -11.912 19.425 -16.124 74 HA SER 10 HA SER 10 -14.398 19.960 -14.653 75 HB2 SER 10 1HB SER 10 -12.366 21.209 -13.714 76 HB3 SER 10 2HB SER 10 -12.381 22.131 -15.217 77 HG SER 10 HG SER 10 -14.139 23.144 -14.595 78 H MET 11 H MET 11 -15.704 19.546 -16.396 79 HA MET 11 HA MET 11 -15.219 20.426 -19.030 80 HB2 MET 11 1HB MET 11 -16.914 18.661 -18.057 81 HB3 MET 11 2HB MET 11 -18.007 20.038 -18.018 82 HG2 MET 11 1HG MET 11 -18.062 20.237 -20.307 83 HG3 MET 11 2HG MET 11 -16.512 19.426 -20.520 84 HE1 MET 11 3HE MET 11 -20.333 18.389 -19.170 85 HE2 MET 11 1HE MET 11 -20.092 19.404 -20.592 86 HE3 MET 11 2HE MET 11 -20.623 17.733 -20.782 87 H ALA 12 H ALA 12 -16.679 21.955 -20.222 88 HA ALA 12 HA ALA 12 -16.384 24.549 -19.340 89 HB1 ALA 12 3HB ALA 12 -18.741 24.222 -21.019 90 HB2 ALA 12 1HB ALA 12 -17.237 25.089 -21.330 91 HB3 ALA 12 2HB ALA 12 -17.331 23.352 -21.625 92 H GLY 13 H GLY 13 -17.101 25.201 -17.388 93 HA2 GLY 13 1HA GLY 13 -18.588 25.900 -15.784 94 HA3 GLY 13 2HA GLY 13 -19.846 25.744 -17.001 95 H SER 14 H SER 14 -17.715 23.395 -15.376 96 HA SER 14 HA SER 14 -20.106 22.061 -14.318 97 HB2 SER 14 1HB SER 14 -19.423 20.889 -16.389 98 HB3 SER 14 2HB SER 14 -17.821 20.632 -15.699 99 HG SER 14 HG SER 14 -20.290 19.603 -14.759 100 H HIS 15 H HIS 15 -17.464 23.627 -13.515 101 HA HIS 15 HA HIS 15 -16.147 23.745 -11.664 102 HB2 HIS 15 1HB HIS 15 -18.468 22.143 -10.800 103 HB3 HIS 15 2HB HIS 15 -17.026 21.957 -9.806 104 HD1 HIS 15 HD1 HIS 15 -19.491 24.571 -10.942 105 HD2 HIS 15 HD2 HIS 15 -16.455 24.085 -8.147 106 HE1 HIS 15 HE1 HIS 15 -19.634 26.581 -9.437 107 HA PRO 16 HA PRO 16 -13.069 20.632 -11.933 108 HB2 PRO 16 1HB PRO 16 -11.944 20.697 -9.464 109 HB3 PRO 16 2HB PRO 16 -11.721 21.984 -10.655 110 HG2 PRO 16 1HG PRO 16 -13.592 21.867 -8.322 111 HG3 PRO 16 2HG PRO 16 -12.590 23.217 -8.886 112 HD2 PRO 16 1HD PRO 16 -15.237 23.043 -9.427 113 HD3 PRO 16 2HD PRO 16 -14.082 23.797 -10.544 114 H THR 17 H THR 17 -13.191 18.482 -11.928 115 HA THR 17 HA THR 17 -14.617 17.160 -9.712 116 HB THR 17 HB THR 17 -14.389 16.297 -12.601 117 HG1 THR 17 HG1 THR 17 -16.430 17.431 -11.015 118 HG21 THR 17 3HG2 THR 17 -14.571 14.226 -11.731 119 HG22 THR 17 1HG2 THR 17 -16.256 14.671 -11.469 120 HG23 THR 17 2HG2 THR 17 -15.089 14.826 -10.156 121 H THR 18 H THR 18 -13.344 16.030 -8.414 122 HA THR 18 HA THR 18 -10.689 15.239 -9.276 123 HB THR 18 HB THR 18 -11.804 14.527 -6.591 124 HG1 THR 18 HG1 THR 18 -10.903 17.119 -7.370 125 HG21 THR 18 3HG2 THR 18 -9.268 14.488 -7.844 126 HG22 THR 18 1HG2 THR 18 -9.664 14.068 -6.178 127 HG23 THR 18 2HG2 THR 18 -9.210 15.722 -6.586 128 H ILE 19 H ILE 19 -10.589 13.438 -10.470 129 HA ILE 19 HA ILE 19 -12.224 11.128 -9.664 130 HB ILE 19 HB ILE 19 -10.797 11.461 -12.298 131 HG12 ILE 19 1HG1 ILE 19 -13.666 12.135 -11.609 132 HG13 ILE 19 2HG1 ILE 19 -12.407 13.291 -12.029 133 HG21 ILE 19 1HG2 ILE 19 -11.587 9.185 -11.374 134 HG22 ILE 19 2HG2 ILE 19 -13.206 9.770 -11.752 135 HG23 ILE 19 3HG2 ILE 19 -12.003 9.616 -13.032 136 HD11 ILE 19 3HD1 ILE 19 -12.284 12.411 -14.262 137 HD12 ILE 19 1HD1 ILE 19 -13.430 11.134 -13.858 138 HD13 ILE 19 2HD1 ILE 19 -13.957 12.817 -13.880 139 H CYS 20 H CYS 20 -11.173 9.686 -8.478 140 HA CYS 20 HA CYS 20 -8.278 9.492 -8.607 141 HB2 CYS 20 1HB CYS 20 -9.327 9.494 -6.410 142 HB3 CYS 20 2HB CYS 20 -10.299 8.093 -6.844 143 HG CYS 20 HG CYS 20 -7.183 7.281 -7.325 144 H VAL 21 H VAL 21 -7.226 8.060 -9.805 145 HA VAL 21 HA VAL 21 -8.665 5.645 -10.698 146 HB VAL 21 HB VAL 21 -6.530 7.080 -12.277 147 HG11 VAL 21 1HG1 VAL 21 -7.405 5.669 -14.126 148 HG12 VAL 21 2HG1 VAL 21 -6.673 4.741 -12.816 149 HG13 VAL 21 3HG1 VAL 21 -8.429 4.839 -12.955 150 HG21 VAL 21 3HG2 VAL 21 -9.529 7.269 -12.438 151 HG22 VAL 21 1HG2 VAL 21 -8.365 8.575 -12.220 152 HG23 VAL 21 2HG2 VAL 21 -8.464 7.732 -13.765 153 H VAL 22 H VAL 22 -7.489 3.724 -10.848 154 HA VAL 22 HA VAL 22 -5.438 3.385 -8.926 155 HB VAL 22 HB VAL 22 -6.077 1.435 -11.133 156 HG11 VAL 22 1HG1 VAL 22 -5.678 0.003 -8.865 157 HG12 VAL 22 2HG1 VAL 22 -4.420 0.370 -10.047 158 HG13 VAL 22 3HG1 VAL 22 -4.591 1.365 -8.601 159 HG21 VAL 22 3HG2 VAL 22 -8.207 1.654 -10.379 160 HG22 VAL 22 1HG2 VAL 22 -7.615 0.552 -9.136 161 HG23 VAL 22 2HG2 VAL 22 -7.706 2.283 -8.810 162 H MET 23 H MET 23 -3.269 2.623 -9.281 163 HA MET 23 HA MET 23 -1.824 4.177 -11.127 164 HB2 MET 23 1HB MET 23 0.125 2.802 -10.432 165 HB3 MET 23 2HB MET 23 -0.791 3.441 -9.073 166 HG2 MET 23 1HG MET 23 -0.799 1.379 -8.267 167 HG3 MET 23 2HG MET 23 -1.955 0.987 -9.536 168 HE1 MET 23 3HE MET 23 2.523 0.150 -9.430 169 HE2 MET 23 1HE MET 23 1.615 1.353 -8.513 170 HE3 MET 23 2HE MET 23 1.480 -0.357 -8.101 171 H ASP 24 H ASP 24 -3.493 1.250 -11.515 172 HA ASP 24 HA ASP 24 -1.990 0.625 -13.969 173 HB2 ASP 24 1HB ASP 24 -2.282 -1.120 -12.070 174 HB3 ASP 24 2HB ASP 24 -3.935 -1.259 -12.665 175 H ARG 25 H ARG 25 -4.606 2.286 -13.038 176 HA ARG 25 HA ARG 25 -6.157 1.528 -15.427 177 HB2 ARG 25 1HB ARG 25 -7.306 1.082 -13.254 178 HB3 ARG 25 2HB ARG 25 -7.224 2.804 -12.905 179 HG2 ARG 25 1HG ARG 25 -9.406 2.309 -13.723 180 HG3 ARG 25 2HG ARG 25 -8.550 3.220 -14.968 181 HD2 ARG 25 1HD ARG 25 -8.186 1.278 -16.269 182 HD3 ARG 25 2HD ARG 25 -8.670 0.216 -14.948 183 HE ARG 25 HE ARG 25 -10.781 1.963 -15.716 184 HH11 ARG 25 1HH1 ARG 25 -9.106 -0.951 -16.623 185 HH12 ARG 25 2HH1 ARG 25 -10.462 -1.623 -17.467 186 HH21 ARG 25 1HH2 ARG 25 -12.573 1.089 -16.824 187 HH22 ARG 25 2HH2 ARG 25 -12.433 -0.462 -17.581 188 H PHE 26 H PHE 26 -4.406 3.968 -13.834 189 HA PHE 26 HA PHE 26 -5.577 6.333 -14.587 190 HB2 PHE 26 1HB PHE 26 -3.439 7.356 -14.383 191 HB3 PHE 26 2HB PHE 26 -3.447 6.010 -13.247 192 HD1 PHE 26 HD2 PHE 26 -2.620 3.712 -14.414 193 HD2 PHE 26 HD1 PHE 26 -1.512 7.656 -15.570 194 HE1 PHE 26 HE2 PHE 26 -0.568 2.829 -15.445 195 HE2 PHE 26 HE1 PHE 26 0.542 6.779 -16.603 196 HZ PHE 26 HZ PHE 26 1.017 4.363 -16.540 197 H LEU 27 H LEU 27 -3.784 4.070 -16.573 198 HA LEU 27 HA LEU 27 -3.459 5.743 -18.831 199 HB2 LEU 27 1HB LEU 27 -2.358 3.465 -18.215 200 HB3 LEU 27 2HB LEU 27 -3.748 2.776 -19.050 201 HG LEU 27 HG LEU 27 -2.030 2.818 -20.643 202 HD11 LEU 27 1HD1 LEU 27 -2.894 4.158 -22.355 203 HD12 LEU 27 2HD1 LEU 27 -3.439 5.401 -21.229 204 HD13 LEU 27 3HD1 LEU 27 -4.271 3.848 -21.297 205 HD21 LEU 27 3HD2 LEU 27 -0.391 4.170 -19.602 206 HD22 LEU 27 1HD2 LEU 27 -1.438 5.588 -19.630 207 HD23 LEU 27 2HD2 LEU 27 -0.775 4.953 -21.136 208 H GLU 28 H GLU 28 -5.796 3.123 -18.197 209 HA GLU 28 HA GLU 28 -7.321 3.432 -20.504 210 HB2 GLU 28 1HB GLU 28 -7.496 1.527 -18.919 211 HB3 GLU 28 2HB GLU 28 -8.313 2.585 -17.777 212 HG2 GLU 28 1HG GLU 28 -10.115 1.597 -18.738 213 HG3 GLU 28 2HG GLU 28 -9.929 2.978 -19.818 214 H SER 29 H SER 29 -7.603 5.036 -17.365 215 HA SER 29 HA SER 29 -10.000 6.409 -17.857 216 HB2 SER 29 1HB SER 29 -9.410 7.806 -15.979 217 HB3 SER 29 2HB SER 29 -8.893 6.159 -15.621 218 HG SER 29 HG SER 29 -7.397 8.437 -15.987 219 H PHE 30 H PHE 30 -6.624 7.437 -18.289 220 HA PHE 30 HA PHE 30 -7.154 10.015 -19.236 221 HB2 PHE 30 1HB PHE 30 -4.899 8.729 -18.605 222 HB3 PHE 30 2HB PHE 30 -4.822 8.542 -20.354 223 HD1 PHE 30 HD2 PHE 30 -5.310 10.786 -21.690 224 HD2 PHE 30 HD1 PHE 30 -3.905 10.571 -17.678 225 HE1 PHE 30 HE2 PHE 30 -4.395 13.061 -21.892 226 HE2 PHE 30 HE1 PHE 30 -2.989 12.846 -17.873 227 HZ PHE 30 HZ PHE 30 -3.232 14.094 -19.982 228 H SER 31 H SER 31 -6.824 6.943 -20.959 229 HA SER 31 HA SER 31 -6.943 7.948 -23.571 230 HB2 SER 31 1HB SER 31 -6.288 5.626 -23.007 231 HB3 SER 31 2HB SER 31 -7.961 5.277 -22.569 232 HG SER 31 HG SER 31 -7.452 6.351 -25.099 233 H GLU 32 H GLU 32 -9.546 6.713 -21.481 234 HA GLU 32 HA GLU 32 -11.630 7.221 -23.324 235 HB2 GLU 32 1HB GLU 32 -11.567 6.756 -20.352 236 HB3 GLU 32 2HB GLU 32 -13.071 7.108 -21.193 237 HG2 GLU 32 1HG GLU 32 -11.244 4.836 -21.923 238 HG3 GLU 32 2HG GLU 32 -12.608 4.687 -20.816 239 H LEU 33 H LEU 33 -10.013 9.184 -20.943 240 HA LEU 33 HA LEU 33 -11.940 11.241 -20.739 241 HB2 LEU 33 1HB LEU 33 -9.820 10.718 -19.312 242 HB3 LEU 33 2HB LEU 33 -9.010 11.764 -20.477 243 HG LEU 33 HG LEU 33 -9.626 12.961 -18.431 244 HD11 LEU 33 1HD1 LEU 33 -10.201 14.871 -19.517 245 HD12 LEU 33 2HD1 LEU 33 -11.475 14.091 -20.454 246 HD13 LEU 33 3HD1 LEU 33 -9.787 13.881 -20.916 247 HD21 LEU 33 3HD2 LEU 33 -11.992 11.483 -18.632 248 HD22 LEU 33 1HD2 LEU 33 -12.455 13.163 -18.903 249 HD23 LEU 33 2HD2 LEU 33 -11.593 12.713 -17.432 250 H TYR 34 H TYR 34 -9.057 10.873 -22.779 251 HA TYR 34 HA TYR 34 -9.158 13.343 -24.065 252 HB2 TYR 34 1HB TYR 34 -7.205 12.024 -24.347 253 HB3 TYR 34 2HB TYR 34 -8.126 10.654 -24.958 254 HD1 TYR 34 HD2 TYR 34 -7.942 14.278 -25.875 255 HD2 TYR 34 HD1 TYR 34 -7.633 10.236 -27.167 256 HE1 TYR 34 HE2 TYR 34 -7.552 15.050 -28.177 257 HE2 TYR 34 HE1 TYR 34 -7.241 10.997 -29.473 258 HH TYR 34 HH TYR 34 -7.973 13.453 -30.750 259 H ASP 35 H ASP 35 -11.189 10.593 -24.383 260 HA ASP 35 HA ASP 35 -12.216 11.382 -26.984 261 HB2 ASP 35 1HB ASP 35 -12.333 9.003 -25.302 262 HB3 ASP 35 2HB ASP 35 -13.903 9.417 -25.987 263 H ILE 36 H ILE 36 -13.688 10.785 -23.787 264 HA ILE 36 HA ILE 36 -16.151 11.954 -24.307 265 HB ILE 36 HB ILE 36 -15.725 10.610 -22.308 266 HG12 ILE 36 1HG1 ILE 36 -16.588 13.407 -21.548 267 HG13 ILE 36 2HG1 ILE 36 -17.613 12.253 -22.394 268 HG21 ILE 36 1HG2 ILE 36 -14.379 12.942 -21.009 269 HG22 ILE 36 2HG2 ILE 36 -14.358 11.240 -20.550 270 HG23 ILE 36 3HG2 ILE 36 -13.442 11.787 -21.955 271 HD11 ILE 36 3HD1 ILE 36 -16.675 12.239 -19.569 272 HD12 ILE 36 1HD1 ILE 36 -18.294 11.991 -20.222 273 HD13 ILE 36 2HD1 ILE 36 -17.081 10.718 -20.364 274 H ILE 37 H ILE 37 -13.124 13.432 -23.298 275 HA ILE 37 HA ILE 37 -13.998 15.944 -22.533 276 HB ILE 37 HB ILE 37 -11.634 15.077 -22.425 277 HG12 ILE 37 1HG1 ILE 37 -10.701 17.445 -23.176 278 HG13 ILE 37 2HG1 ILE 37 -12.416 17.822 -23.305 279 HG21 ILE 37 1HG2 ILE 37 -11.160 16.222 -25.128 280 HG22 ILE 37 2HG2 ILE 37 -10.256 14.992 -24.246 281 HG23 ILE 37 3HG2 ILE 37 -11.791 14.579 -25.010 282 HD11 ILE 37 3HD1 ILE 37 -11.268 18.379 -21.120 283 HD12 ILE 37 1HD1 ILE 37 -12.772 17.464 -21.018 284 HD13 ILE 37 2HD1 ILE 37 -11.224 16.641 -20.821 285 H ASP 38 H ASP 38 -13.761 14.555 -25.715 286 HA ASP 38 HA ASP 38 -13.920 17.002 -27.168 287 HB2 ASP 38 1HB ASP 38 -13.035 14.914 -28.152 288 HB3 ASP 38 2HB ASP 38 -14.643 14.201 -28.055 289 H GLU 39 H GLU 39 -16.270 14.722 -25.898 290 HA GLU 39 HA GLU 39 -18.492 16.028 -27.207 291 HB2 GLU 39 1HB GLU 39 -18.573 13.946 -25.021 292 HB3 GLU 39 2HB GLU 39 -19.880 14.391 -26.109 293 HG2 GLU 39 1HG GLU 39 -17.338 12.943 -26.790 294 HG3 GLU 39 2HG GLU 39 -18.987 12.325 -26.856 295 H ASN 40 H ASN 40 -20.471 16.265 -25.485 296 HA ASN 40 HA ASN 40 -19.495 17.947 -23.279 297 HB2 ASN 40 1HB ASN 40 -21.781 18.648 -25.135 298 HB3 ASN 40 2HB ASN 40 -21.234 19.602 -23.758 299 HD21 ASN 40 1HD2 ASN 40 -21.322 19.863 -26.838 300 HD22 ASN 40 2HD2 ASN 40 -19.766 20.515 -27.212 301 H ASP 41 H ASP 41 -20.513 15.200 -23.354 302 HA ASP 41 HA ASP 41 -23.191 15.147 -22.410 303 HB2 ASP 41 1HB ASP 41 -21.165 13.036 -21.729 304 HB3 ASP 41 2HB ASP 41 -22.882 12.852 -22.078 305 H THR 42 H THR 42 -23.779 16.162 -20.606 306 HA THR 42 HA THR 42 -21.953 16.448 -18.377 307 HB THR 42 HB THR 42 -24.840 17.268 -18.297 308 HG1 THR 42 HG1 THR 42 -24.386 19.056 -19.493 309 HG21 THR 42 3HG2 THR 42 -22.340 17.913 -16.862 310 HG22 THR 42 1HG2 THR 42 -24.004 17.879 -16.281 311 HG23 THR 42 2HG2 THR 42 -23.416 19.271 -17.191 312 H ASP 43 H ASP 43 -25.235 15.114 -18.804 313 HA ASP 43 HA ASP 43 -25.472 13.959 -16.278 314 HB2 ASP 43 1HB ASP 43 -27.381 14.217 -17.773 315 HB3 ASP 43 2HB ASP 43 -26.682 13.058 -18.901 316 H VAL 44 H VAL 44 -23.681 12.940 -19.053 317 HA VAL 44 HA VAL 44 -23.363 10.211 -18.147 318 HB VAL 44 HB VAL 44 -21.895 11.665 -20.351 319 HG11 VAL 44 1HG1 VAL 44 -21.720 8.974 -19.239 320 HG12 VAL 44 2HG1 VAL 44 -21.975 8.997 -20.985 321 HG13 VAL 44 3HG1 VAL 44 -20.597 9.845 -20.283 322 HG21 VAL 44 3HG2 VAL 44 -24.347 9.912 -20.481 323 HG22 VAL 44 1HG2 VAL 44 -24.292 11.651 -20.765 324 HG23 VAL 44 2HG2 VAL 44 -23.469 10.551 -21.871 325 H MET 45 H MET 45 -21.805 13.230 -17.669 326 HA MET 45 HA MET 45 -19.164 12.539 -17.236 327 HB2 MET 45 1HB MET 45 -19.945 14.849 -17.205 328 HB3 MET 45 2HB MET 45 -20.843 14.547 -15.724 329 HG2 MET 45 1HG MET 45 -18.970 14.545 -14.419 330 HG3 MET 45 2HG MET 45 -17.920 14.024 -15.735 331 HE1 MET 45 3HE MET 45 -16.367 15.189 -16.597 332 HE2 MET 45 1HE MET 45 -16.214 16.925 -16.868 333 HE3 MET 45 2HE MET 45 -15.910 16.253 -15.266 334 H MET 46 H MET 46 -21.810 12.564 -14.848 335 HA MET 46 HA MET 46 -20.361 11.647 -12.660 336 HB2 MET 46 1HB MET 46 -22.539 10.882 -11.763 337 HB3 MET 46 2HB MET 46 -22.606 12.515 -12.411 338 HG2 MET 46 1HG MET 46 -24.450 11.798 -13.440 339 HG3 MET 46 2HG MET 46 -23.325 11.068 -14.583 340 HE1 MET 46 3HE MET 46 -26.233 10.097 -14.395 341 HE2 MET 46 1HE MET 46 -25.085 9.203 -15.392 342 HE3 MET 46 2HE MET 46 -26.117 8.343 -14.250 343 H ASP 47 H ASP 47 -21.960 9.840 -15.239 344 HA ASP 47 HA ASP 47 -21.643 7.267 -14.163 345 HB2 ASP 47 1HB ASP 47 -23.074 7.928 -16.144 346 HB3 ASP 47 2HB ASP 47 -21.597 7.950 -17.104 347 H PHE 48 H PHE 48 -19.533 9.205 -16.242 348 HA PHE 48 HA PHE 48 -17.570 7.210 -16.638 349 HB2 PHE 48 1HB PHE 48 -17.606 9.054 -18.150 350 HB3 PHE 48 2HB PHE 48 -17.478 10.219 -16.836 351 HD1 PHE 48 HD1 PHE 48 -15.649 7.642 -18.737 352 HD2 PHE 48 HD2 PHE 48 -15.379 10.861 -15.966 353 HE1 PHE 48 HE1 PHE 48 -13.202 7.653 -18.994 354 HE2 PHE 48 HE2 PHE 48 -12.931 10.878 -16.219 355 HZ PHE 48 HZ PHE 48 -11.840 9.273 -17.735 356 H ILE 49 H ILE 49 -17.753 9.935 -14.363 357 HA ILE 49 HA ILE 49 -15.314 9.562 -13.081 358 HB ILE 49 HB ILE 49 -17.897 10.559 -11.875 359 HG12 ILE 49 1HG1 ILE 49 -15.706 12.399 -12.652 360 HG13 ILE 49 2HG1 ILE 49 -16.606 11.658 -13.971 361 HG21 ILE 49 1HG2 ILE 49 -15.065 10.576 -10.900 362 HG22 ILE 49 2HG2 ILE 49 -16.214 11.806 -10.378 363 HG23 ILE 49 3HG2 ILE 49 -16.533 10.103 -10.045 364 HD11 ILE 49 3HD1 ILE 49 -17.865 13.180 -11.704 365 HD12 ILE 49 1HD1 ILE 49 -17.465 13.871 -13.276 366 HD13 ILE 49 2HD1 ILE 49 -18.660 12.578 -13.159 367 H SER 50 H SER 50 -18.495 8.192 -12.285 368 HA SER 50 HA SER 50 -17.512 6.683 -10.066 369 HB2 SER 50 1HB SER 50 -19.892 7.446 -10.334 370 HB3 SER 50 2HB SER 50 -20.078 6.240 -11.606 371 HG SER 50 HG SER 50 -20.734 5.217 -9.801 372 H ARG 51 H ARG 51 -17.809 6.140 -13.479 373 HA ARG 51 HA ARG 51 -17.718 3.318 -13.478 374 HB2 ARG 51 1HB ARG 51 -18.412 4.453 -15.469 375 HB3 ARG 51 2HB ARG 51 -16.908 5.361 -15.546 376 HG2 ARG 51 1HG ARG 51 -16.974 3.577 -17.205 377 HG3 ARG 51 2HG ARG 51 -15.678 3.325 -16.034 378 HD2 ARG 51 1HD ARG 51 -16.923 1.648 -14.896 379 HD3 ARG 51 2HD ARG 51 -18.387 2.035 -15.799 380 HE ARG 51 HE ARG 51 -16.592 1.304 -17.713 381 HH11 ARG 51 1HH1 ARG 51 -17.823 -0.181 -14.815 382 HH12 ARG 51 2HH1 ARG 51 -17.653 -1.797 -15.415 383 HH21 ARG 51 1HH2 ARG 51 -16.363 -0.820 -18.514 384 HH22 ARG 51 2HH2 ARG 51 -16.821 -2.160 -17.519 385 H PHE 52 H PHE 52 -15.160 5.767 -13.801 386 HA PHE 52 HA PHE 52 -13.106 3.717 -13.712 387 HB2 PHE 52 1HB PHE 52 -13.162 6.654 -14.238 388 HB3 PHE 52 2HB PHE 52 -11.653 5.937 -13.683 389 HD1 PHE 52 HD2 PHE 52 -10.567 4.162 -15.034 390 HD2 PHE 52 HD1 PHE 52 -13.937 6.344 -16.447 391 HE1 PHE 52 HE2 PHE 52 -10.065 3.442 -17.333 392 HE2 PHE 52 HE1 PHE 52 -13.441 5.627 -18.748 393 HZ PHE 52 HZ PHE 52 -11.502 4.175 -19.193 394 H ALA 53 H ALA 53 -13.896 6.638 -11.824 395 HA ALA 53 HA ALA 53 -12.142 5.913 -9.681 396 HB1 ALA 53 3HB ALA 53 -12.389 8.049 -9.132 397 HB2 ALA 53 1HB ALA 53 -13.505 8.227 -10.486 398 HB3 ALA 53 2HB ALA 53 -14.121 7.830 -8.881 399 H ARG 54 H ARG 54 -12.739 5.356 -7.537 400 HA ARG 54 HA ARG 54 -15.230 3.808 -7.416 401 HB2 ARG 54 1HB ARG 54 -12.952 2.735 -6.978 402 HB3 ARG 54 2HB ARG 54 -12.933 3.645 -5.473 403 HG2 ARG 54 1HG ARG 54 -15.049 2.540 -4.826 404 HG3 ARG 54 2HG ARG 54 -14.949 1.567 -6.295 405 HD2 ARG 54 1HD ARG 54 -13.133 0.364 -5.534 406 HD3 ARG 54 2HD ARG 54 -12.633 1.632 -4.415 407 HE ARG 54 HE ARG 54 -15.137 0.588 -3.636 408 HH11 ARG 54 1HH1 ARG 54 -11.753 -0.227 -3.724 409 HH12 ARG 54 2HH1 ARG 54 -11.841 -1.292 -2.360 410 HH21 ARG 54 1HH2 ARG 54 -15.265 -0.811 -1.839 411 HH22 ARG 54 2HH2 ARG 54 -13.839 -1.624 -1.290 412 H THR 55 H THR 55 -16.654 4.001 -5.682 413 HA THR 55 HA THR 55 -16.514 6.577 -4.300 414 HB THR 55 HB THR 55 -18.898 6.181 -3.747 415 HG1 THR 55 HG1 THR 55 -19.882 4.385 -4.971 416 HG21 THR 55 3HG2 THR 55 -19.349 5.813 -6.486 417 HG22 THR 55 1HG2 THR 55 -17.774 6.597 -6.369 418 HG23 THR 55 2HG2 THR 55 -19.189 7.345 -5.627 419 H ASP 56 H ASP 56 -14.859 5.765 -2.823 420 HA ASP 56 HA ASP 56 -16.064 4.740 -0.412 421 HB2 ASP 56 1HB ASP 56 -14.040 3.142 -1.965 422 HB3 ASP 56 2HB ASP 56 -14.202 2.965 -0.220 423 H GLU 57 H GLU 57 -14.379 4.616 1.380 424 HA GLU 57 HA GLU 57 -13.068 7.095 1.573 425 HB2 GLU 57 1HB GLU 57 -12.955 4.574 3.210 426 HB3 GLU 57 2HB GLU 57 -11.940 5.956 3.597 427 HG2 GLU 57 1HG GLU 57 -13.767 6.267 4.965 428 HG3 GLU 57 2HG GLU 57 -14.142 7.294 3.582 429 H ILE 58 H ILE 58 -10.835 7.589 1.702 430 HA ILE 58 HA ILE 58 -9.131 5.729 0.177 431 HB ILE 58 HB ILE 58 -8.957 8.741 0.320 432 HG12 ILE 58 1HG1 ILE 58 -9.531 7.059 -2.113 433 HG13 ILE 58 2HG1 ILE 58 -10.821 7.631 -1.062 434 HG21 ILE 58 1HG2 ILE 58 -7.062 6.693 -0.525 435 HG22 ILE 58 2HG2 ILE 58 -7.370 7.915 -1.757 436 HG23 ILE 58 3HG2 ILE 58 -6.801 8.398 -0.160 437 HD11 ILE 58 3HD1 ILE 58 -9.558 8.981 -3.190 438 HD12 ILE 58 1HD1 ILE 58 -10.834 9.566 -2.122 439 HD13 ILE 58 2HD1 ILE 58 -9.142 9.830 -1.701 440 H MET 59 H MET 59 -7.807 4.699 1.527 441 HA MET 59 HA MET 59 -7.000 5.756 4.048 442 HB2 MET 59 1HB MET 59 -6.432 3.292 2.477 443 HB3 MET 59 2HB MET 59 -5.301 3.723 3.753 444 HG2 MET 59 1HG MET 59 -6.780 2.314 4.822 445 HG3 MET 59 2HG MET 59 -7.387 3.914 5.242 446 HE1 MET 59 3HE MET 59 -8.476 1.326 1.904 447 HE2 MET 59 1HE MET 59 -7.513 0.862 3.307 448 HE3 MET 59 2HE MET 59 -9.234 0.481 3.254 449 HA PRO 60 HA PRO 60 -3.311 7.928 3.090 450 HB2 PRO 60 1HB PRO 60 -1.660 7.209 5.121 451 HB3 PRO 60 2HB PRO 60 -3.045 8.284 5.344 452 HG2 PRO 60 1HG PRO 60 -2.810 5.354 5.912 453 HG3 PRO 60 2HG PRO 60 -3.565 6.626 6.890 454 HD2 PRO 60 1HD PRO 60 -5.001 4.941 5.331 455 HD3 PRO 60 2HD PRO 60 -5.498 6.618 5.634 456 H GLU 61 H GLU 61 -3.002 4.472 3.657 457 HA GLU 61 HA GLU 61 -0.390 4.013 2.899 458 HB2 GLU 61 1HB GLU 61 -2.817 2.314 2.301 459 HB3 GLU 61 2HB GLU 61 -1.151 1.764 2.189 460 HG2 GLU 61 1HG GLU 61 -2.609 2.634 4.671 461 HG3 GLU 61 2HG GLU 61 -2.095 1.001 4.251 462 H ASP 62 H ASP 62 -3.141 4.822 0.921 463 HA ASP 62 HA ASP 62 -2.023 4.070 -1.581 464 HB2 ASP 62 1HB ASP 62 -4.258 5.941 -0.807 465 HB3 ASP 62 2HB ASP 62 -3.791 5.678 -2.485 466 H LYS 63 H LYS 63 -0.482 5.023 -2.726 467 HA LYS 63 HA LYS 63 0.322 7.754 -1.994 468 HB2 LYS 63 1HB LYS 63 2.126 6.209 -1.717 469 HB3 LYS 63 2HB LYS 63 1.835 5.491 -3.296 470 HG2 LYS 63 1HG LYS 63 2.560 7.529 -4.389 471 HG3 LYS 63 2HG LYS 63 2.786 8.309 -2.821 472 HD2 LYS 63 1HD LYS 63 4.496 6.645 -2.250 473 HD3 LYS 63 2HD LYS 63 4.275 5.882 -3.826 474 HE2 LYS 63 1HE LYS 63 4.893 8.791 -3.733 475 HE3 LYS 63 2HE LYS 63 6.192 7.649 -3.393 476 HZ1 LYS 63 3HZ LYS 63 4.808 6.775 -5.668 477 HZ2 LYS 63 1HZ LYS 63 6.411 7.305 -5.553 478 HZ3 LYS 63 2HZ LYS 63 5.176 8.413 -5.880 479 H THR 64 H THR 64 0.712 9.307 -3.590 480 HA THR 64 HA THR 64 -0.924 9.008 -5.956 481 HB THR 64 HB THR 64 0.586 11.453 -5.962 482 HG1 THR 64 HG1 THR 64 0.834 11.351 -3.776 483 HG21 THR 64 3HG2 THR 64 -2.233 10.556 -5.917 484 HG22 THR 64 1HG2 THR 64 -1.428 11.710 -6.980 485 HG23 THR 64 2HG2 THR 64 -1.922 12.200 -5.359 486 H VAL 65 H VAL 65 -0.245 8.894 -8.044 487 HA VAL 65 HA VAL 65 2.651 8.553 -8.458 488 HB VAL 65 HB VAL 65 1.191 6.570 -8.925 489 HG11 VAL 65 1HG1 VAL 65 0.310 7.579 -11.513 490 HG12 VAL 65 2HG1 VAL 65 -0.570 6.648 -10.299 491 HG13 VAL 65 3HG1 VAL 65 -0.450 8.402 -10.151 492 HG21 VAL 65 3HG2 VAL 65 3.434 7.056 -10.011 493 HG22 VAL 65 1HG2 VAL 65 2.384 5.914 -10.850 494 HG23 VAL 65 2HG2 VAL 65 2.521 7.574 -11.428 495 H GLY 66 H GLY 66 0.181 10.705 -8.970 496 HA2 GLY 66 1HA GLY 66 1.557 12.590 -10.365 497 HA3 GLY 66 2HA GLY 66 0.883 11.570 -11.627 498 H PHE 67 H PHE 67 0.293 14.331 -11.204 499 HA PHE 67 HA PHE 67 -2.570 14.132 -10.537 500 HB2 PHE 67 1HB PHE 67 -0.911 16.632 -10.215 501 HB3 PHE 67 2HB PHE 67 -2.540 16.333 -9.618 502 HD1 PHE 67 HD2 PHE 67 -2.914 14.993 -7.638 503 HD2 PHE 67 HD1 PHE 67 1.020 15.740 -9.078 504 HE1 PHE 67 HE2 PHE 67 -1.987 14.229 -5.491 505 HE2 PHE 67 HE1 PHE 67 1.954 14.977 -6.934 506 HZ PHE 67 HZ PHE 67 0.450 14.221 -5.136 507 H VAL 68 H VAL 68 -3.840 14.449 -12.230 508 HA VAL 68 HA VAL 68 -2.773 15.865 -14.567 509 HB VAL 68 HB VAL 68 -5.189 14.068 -14.320 510 HG11 VAL 68 1HG1 VAL 68 -5.891 15.148 -16.149 511 HG12 VAL 68 2HG1 VAL 68 -4.327 15.926 -16.400 512 HG13 VAL 68 3HG1 VAL 68 -4.602 14.285 -16.987 513 HG21 VAL 68 3HG2 VAL 68 -3.430 12.594 -14.248 514 HG22 VAL 68 1HG2 VAL 68 -3.658 12.740 -15.991 515 HG23 VAL 68 2HG2 VAL 68 -2.371 13.642 -15.191 516 H VAL 69 H VAL 69 -3.656 17.707 -15.337 517 HA VAL 69 HA VAL 69 -6.017 18.769 -13.925 518 HB VAL 69 HB VAL 69 -3.775 20.430 -15.074 519 HG11 VAL 69 1HG1 VAL 69 -5.195 21.779 -13.056 520 HG12 VAL 69 2HG1 VAL 69 -5.190 22.117 -14.788 521 HG13 VAL 69 3HG1 VAL 69 -6.401 21.031 -14.104 522 HG21 VAL 69 3HG2 VAL 69 -3.412 20.830 -12.506 523 HG22 VAL 69 1HG2 VAL 69 -4.151 19.234 -12.369 524 HG23 VAL 69 2HG2 VAL 69 -2.676 19.445 -13.312 525 H VAL 70 H VAL 70 -7.715 18.847 -15.229 526 HA VAL 70 HA VAL 70 -7.294 19.620 -18.042 527 HB VAL 70 HB VAL 70 -9.293 17.614 -16.990 528 HG11 VAL 70 1HG1 VAL 70 -9.163 17.579 -19.806 529 HG12 VAL 70 2HG1 VAL 70 -10.523 18.051 -18.786 530 HG13 VAL 70 3HG1 VAL 70 -9.360 19.263 -19.323 531 HG21 VAL 70 3HG2 VAL 70 -6.701 17.388 -18.451 532 HG22 VAL 70 1HG2 VAL 70 -7.334 16.416 -17.122 533 HG23 VAL 70 2HG2 VAL 70 -7.969 16.201 -18.753 534 H ASN 71 H ASN 71 -8.054 21.623 -18.249 535 HA ASN 71 HA ASN 71 -10.605 22.291 -16.933 536 HB2 ASN 71 1HB ASN 71 -8.175 23.967 -17.520 537 HB3 ASN 71 2HB ASN 71 -9.750 24.710 -17.261 538 HD21 ASN 71 1HD2 ASN 71 -7.883 25.456 -15.578 539 HD22 ASN 71 2HD2 ASN 71 -8.072 24.718 -14.027 540 H ALA 72 H ALA 72 -12.216 22.236 -18.350 541 HA ALA 72 HA ALA 72 -11.787 22.596 -21.171 542 HB1 ALA 72 3HB ALA 72 -14.240 22.262 -21.330 543 HB2 ALA 72 1HB ALA 72 -13.410 20.974 -20.455 544 HB3 ALA 72 2HB ALA 72 -14.311 22.206 -19.569 545 H ASP 73 H ASP 73 -13.186 24.473 -18.537 546 HA ASP 73 HA ASP 73 -14.449 26.491 -19.933 547 HB2 ASP 73 1HB ASP 73 -14.561 26.301 -17.501 548 HB3 ASP 73 2HB ASP 73 -12.855 26.723 -17.372 549 H LYS 74 H LYS 74 -11.043 26.394 -18.899 550 HA LYS 74 HA LYS 74 -10.477 28.674 -20.649 551 HB2 LYS 74 1HB LYS 74 -8.859 27.338 -18.477 552 HB3 LYS 74 2HB LYS 74 -8.227 28.616 -19.507 553 HG2 LYS 74 1HG LYS 74 -9.858 30.171 -18.665 554 HG3 LYS 74 2HG LYS 74 -10.641 28.895 -17.730 555 HD2 LYS 74 1HD LYS 74 -9.347 29.811 -16.090 556 HD3 LYS 74 2HD LYS 74 -8.195 28.640 -16.735 557 HE2 LYS 74 1HE LYS 74 -7.020 30.682 -16.526 558 HE3 LYS 74 2HE LYS 74 -7.358 30.482 -18.245 559 HZ1 LYS 74 3HZ LYS 74 -8.693 32.266 -18.274 560 HZ2 LYS 74 1HZ LYS 74 -7.869 32.712 -16.866 561 HZ3 LYS 74 2HZ LYS 74 -9.369 31.940 -16.759 562 H LYS 75 H LYS 75 -10.495 25.373 -20.806 563 HA LYS 75 HA LYS 75 -9.618 23.840 -22.239 564 HB2 LYS 75 1HB LYS 75 -8.871 26.316 -23.806 565 HB3 LYS 75 2HB LYS 75 -8.806 24.673 -24.430 566 HG2 LYS 75 1HG LYS 75 -11.257 24.492 -23.989 567 HG3 LYS 75 2HG LYS 75 -11.250 26.211 -23.588 568 HD2 LYS 75 1HD LYS 75 -10.625 26.817 -25.788 569 HD3 LYS 75 2HD LYS 75 -10.220 25.152 -26.210 570 HE2 LYS 75 1HE LYS 75 -12.340 25.779 -27.207 571 HE3 LYS 75 2HE LYS 75 -12.587 24.536 -25.982 572 HZ1 LYS 75 3HZ LYS 75 -14.143 26.565 -26.032 573 HZ2 LYS 75 1HZ LYS 75 -12.866 27.384 -25.281 574 HZ3 LYS 75 2HZ LYS 75 -13.557 26.031 -24.537 575 H LEU 76 H LEU 76 -8.031 24.429 -20.068 576 HA LEU 76 HA LEU 76 -5.301 24.581 -21.135 577 HB2 LEU 76 1HB LEU 76 -6.249 24.747 -18.279 578 HB3 LEU 76 2HB LEU 76 -4.597 24.989 -18.844 579 HG LEU 76 HG LEU 76 -6.728 26.763 -19.926 580 HD11 LEU 76 1HD1 LEU 76 -5.466 27.224 -17.232 581 HD12 LEU 76 2HD1 LEU 76 -7.106 26.617 -17.460 582 HD13 LEU 76 3HD1 LEU 76 -6.671 28.223 -18.046 583 HD21 LEU 76 3HD2 LEU 76 -4.928 27.769 -20.742 584 HD22 LEU 76 1HD2 LEU 76 -3.883 26.615 -19.913 585 HD23 LEU 76 2HD2 LEU 76 -4.377 28.100 -19.099 586 H MET 77 H MET 77 -3.934 22.889 -21.047 587 HA MET 77 HA MET 77 -4.857 20.464 -19.650 588 HB2 MET 77 1HB MET 77 -3.449 20.682 -22.314 589 HB3 MET 77 2HB MET 77 -3.691 19.169 -21.451 590 HG2 MET 77 1HG MET 77 -5.465 19.108 -22.869 591 HG3 MET 77 2HG MET 77 -6.203 19.920 -21.491 592 HE1 MET 77 3HE MET 77 -8.021 20.384 -23.057 593 HE2 MET 77 1HE MET 77 -7.972 21.995 -22.340 594 HE3 MET 77 2HE MET 77 -8.105 21.812 -24.089 595 H SER 78 H SER 78 -3.585 20.107 -17.959 596 HA SER 78 HA SER 78 -0.685 20.199 -18.329 597 HB2 SER 78 1HB SER 78 -1.944 21.411 -15.871 598 HB3 SER 78 2HB SER 78 -0.270 21.530 -16.412 599 HG SER 78 HG SER 78 -1.869 23.359 -16.809 600 H VAL 79 H VAL 79 -0.270 18.087 -18.057 601 HA VAL 79 HA VAL 79 -1.406 16.742 -15.694 602 HB VAL 79 HB VAL 79 -1.087 14.635 -16.802 603 HG11 VAL 79 1HG1 VAL 79 -2.207 15.958 -19.139 604 HG12 VAL 79 2HG1 VAL 79 -2.960 14.839 -18.001 605 HG13 VAL 79 3HG1 VAL 79 -2.879 16.561 -17.624 606 HG21 VAL 79 3HG2 VAL 79 -0.183 14.492 -19.089 607 HG22 VAL 79 1HG2 VAL 79 0.198 16.214 -19.029 608 HG23 VAL 79 2HG2 VAL 79 1.009 15.092 -17.936 609 H SER 80 H SER 80 -0.087 15.839 -14.199 610 HA SER 80 HA SER 80 2.816 16.075 -14.660 611 HB2 SER 80 1HB SER 80 3.093 16.544 -12.285 612 HB3 SER 80 2HB SER 80 1.954 17.694 -12.986 613 HG SER 80 HG SER 80 1.232 16.812 -10.981 614 H PHE 81 H PHE 81 3.266 14.004 -15.266 615 HA PHE 81 HA PHE 81 2.326 11.808 -13.578 616 HB2 PHE 81 1HB PHE 81 3.506 11.969 -16.332 617 HB3 PHE 81 2HB PHE 81 3.541 10.448 -15.446 618 HD1 PHE 81 HD1 PHE 81 0.981 13.133 -15.855 619 HD2 PHE 81 HD2 PHE 81 1.950 9.007 -16.243 620 HE1 PHE 81 HE1 PHE 81 -1.323 12.664 -16.581 621 HE2 PHE 81 HE2 PHE 81 -0.352 8.531 -16.971 622 HZ PHE 81 HZ PHE 81 -1.991 10.361 -17.141 623 H SER 82 H SER 82 3.648 10.569 -12.345 624 HA SER 82 HA SER 82 6.265 11.623 -11.750 625 HB2 SER 82 1HB SER 82 4.593 10.708 -10.043 626 HB3 SER 82 2HB SER 82 5.060 9.103 -10.606 627 HG SER 82 HG SER 82 6.427 10.881 -9.020 628 H ASP 83 H ASP 83 7.838 9.554 -11.139 629 HA ASP 83 HA ASP 83 9.009 8.800 -13.526 630 HB2 ASP 83 1HB ASP 83 10.211 8.689 -11.417 631 HB3 ASP 83 2HB ASP 83 9.141 7.414 -10.841 632 H ILE 84 H ILE 84 7.995 7.733 -15.103 633 HA ILE 84 HA ILE 84 6.668 5.196 -14.408 634 HB ILE 84 HB ILE 84 5.183 5.613 -16.418 635 HG12 ILE 84 1HG1 ILE 84 5.802 8.521 -16.010 636 HG13 ILE 84 2HG1 ILE 84 6.754 7.567 -17.142 637 HG21 ILE 84 1HG2 ILE 84 4.342 5.775 -14.154 638 HG22 ILE 84 2HG2 ILE 84 4.932 7.432 -14.027 639 HG23 ILE 84 3HG2 ILE 84 3.629 7.044 -15.150 640 HD11 ILE 84 3HD1 ILE 84 4.919 8.798 -18.215 641 HD12 ILE 84 1HD1 ILE 84 4.786 7.053 -18.426 642 HD13 ILE 84 2HD1 ILE 84 3.765 7.880 -17.248 643 H ASP 85 H ASP 85 6.274 3.964 -16.645 644 HA ASP 85 HA ASP 85 8.871 3.287 -17.590 645 HB2 ASP 85 1HB ASP 85 6.197 2.466 -18.741 646 HB3 ASP 85 2HB ASP 85 7.743 1.658 -18.988 647 H GLU 86 H GLU 86 9.693 3.444 -19.721 648 HA GLU 86 HA GLU 86 9.312 5.957 -20.940 649 HB2 GLU 86 1HB GLU 86 10.782 5.068 -22.732 650 HB3 GLU 86 2HB GLU 86 11.436 4.828 -21.118 651 HG2 GLU 86 1HG GLU 86 10.583 2.499 -21.179 652 HG3 GLU 86 2HG GLU 86 10.101 2.766 -22.854 653 H ASN 87 H ASN 87 8.210 2.707 -21.810 654 HA ASN 87 HA ASN 87 7.023 3.397 -24.270 655 HB2 ASN 87 1HB ASN 87 7.541 1.056 -23.159 656 HB3 ASN 87 2HB ASN 87 5.881 1.203 -22.588 657 HD21 ASN 87 1HD2 ASN 87 4.595 0.044 -23.813 658 HD22 ASN 87 2HD2 ASN 87 4.652 -0.067 -25.536 659 H MET 88 H MET 88 5.623 3.050 -21.017 660 HA MET 88 HA MET 88 2.987 3.704 -21.715 661 HB2 MET 88 1HB MET 88 4.029 2.763 -19.490 662 HB3 MET 88 2HB MET 88 4.095 4.463 -19.043 663 HG2 MET 88 1HG MET 88 2.054 3.987 -18.214 664 HG3 MET 88 2HG MET 88 1.571 4.368 -19.865 665 HE1 MET 88 3HE MET 88 0.844 1.813 -17.118 666 HE2 MET 88 1HE MET 88 -0.206 2.963 -17.948 667 HE3 MET 88 2HE MET 88 -0.443 1.230 -18.174 668 H LYS 89 H LYS 89 5.669 5.734 -20.597 669 HA LYS 89 HA LYS 89 4.307 8.151 -20.367 670 HB2 LYS 89 1HB LYS 89 6.726 7.574 -19.722 671 HB3 LYS 89 2HB LYS 89 7.131 7.949 -21.392 672 HG2 LYS 89 1HG LYS 89 5.570 9.955 -19.861 673 HG3 LYS 89 2HG LYS 89 7.280 9.756 -19.473 674 HD2 LYS 89 1HD LYS 89 6.293 10.157 -22.287 675 HD3 LYS 89 2HD LYS 89 6.704 11.505 -21.224 676 HE2 LYS 89 1HE LYS 89 8.657 9.279 -21.624 677 HE3 LYS 89 2HE LYS 89 8.489 10.524 -22.860 678 HZ1 LYS 89 3HZ LYS 89 9.867 11.744 -21.648 679 HZ2 LYS 89 1HZ LYS 89 9.819 10.655 -20.354 680 HZ3 LYS 89 2HZ LYS 89 8.657 11.878 -20.473 681 H LYS 90 H LYS 90 5.688 6.575 -23.197 682 HA LYS 90 HA LYS 90 5.447 8.716 -25.000 683 HB2 LYS 90 1HB LYS 90 5.636 5.744 -25.278 684 HB3 LYS 90 2HB LYS 90 5.238 6.711 -26.692 685 HG2 LYS 90 1HG LYS 90 7.314 8.062 -26.195 686 HG3 LYS 90 2HG LYS 90 7.734 6.809 -25.025 687 HD2 LYS 90 1HD LYS 90 8.837 6.029 -26.877 688 HD3 LYS 90 2HD LYS 90 7.284 5.213 -27.069 689 HE2 LYS 90 1HE LYS 90 6.651 7.346 -28.427 690 HE3 LYS 90 2HE LYS 90 8.396 7.556 -28.555 691 HZ1 LYS 90 3HZ LYS 90 8.116 4.979 -29.216 692 HZ2 LYS 90 1HZ LYS 90 8.157 6.244 -30.338 693 HZ3 LYS 90 2HZ LYS 90 6.672 5.614 -29.828 694 H VAL 91 H VAL 91 3.263 5.958 -24.426 695 HA VAL 91 HA VAL 91 1.249 6.694 -26.200 696 HB VAL 91 HB VAL 91 0.891 5.279 -23.554 697 HG11 VAL 91 1HG1 VAL 91 -0.995 4.195 -25.000 698 HG12 VAL 91 2HG1 VAL 91 -1.263 5.754 -24.218 699 HG13 VAL 91 3HG1 VAL 91 -0.862 5.684 -25.935 700 HG21 VAL 91 3HG2 VAL 91 2.258 4.489 -25.949 701 HG22 VAL 91 1HG2 VAL 91 2.072 3.613 -24.429 702 HG23 VAL 91 2HG2 VAL 91 0.851 3.458 -25.692 703 H ILE 92 H ILE 92 1.368 7.298 -22.685 704 HA ILE 92 HA ILE 92 -0.929 8.866 -22.522 705 HB ILE 92 HB ILE 92 1.568 8.873 -20.835 706 HG12 ILE 92 1HG1 ILE 92 -1.093 8.008 -19.835 707 HG13 ILE 92 2HG1 ILE 92 -0.315 6.966 -21.021 708 HG21 ILE 92 1HG2 ILE 92 -0.371 9.979 -19.263 709 HG22 ILE 92 2HG2 ILE 92 0.898 10.876 -20.095 710 HG23 ILE 92 3HG2 ILE 92 -0.697 10.720 -20.829 711 HD11 ILE 92 3HD1 ILE 92 0.969 7.874 -18.458 712 HD12 ILE 92 1HD1 ILE 92 0.137 6.335 -18.675 713 HD13 ILE 92 2HD1 ILE 92 1.594 6.688 -19.603 714 H LYS 93 H LYS 93 2.394 9.754 -23.289 715 HA LYS 93 HA LYS 93 2.039 12.554 -23.214 716 HB2 LYS 93 1HB LYS 93 4.252 11.505 -23.167 717 HB3 LYS 93 2HB LYS 93 4.013 10.901 -24.801 718 HG2 LYS 93 1HG LYS 93 3.942 13.183 -25.648 719 HG3 LYS 93 2HG LYS 93 4.150 13.804 -24.009 720 HD2 LYS 93 1HD LYS 93 6.276 13.839 -25.150 721 HD3 LYS 93 2HD LYS 93 6.319 12.615 -23.878 722 HE2 LYS 93 1HE LYS 93 6.376 10.879 -25.363 723 HE3 LYS 93 2HE LYS 93 5.485 11.765 -26.600 724 HZ1 LYS 93 3HZ LYS 93 8.326 12.206 -25.852 725 HZ2 LYS 93 1HZ LYS 93 7.474 13.087 -27.018 726 HZ3 LYS 93 2HZ LYS 93 7.776 11.440 -27.256 727 H ALA 94 H ALA 94 1.551 10.148 -25.729 728 HA ALA 94 HA ALA 94 1.150 12.022 -27.843 729 HB1 ALA 94 3HB ALA 94 -0.182 9.605 -28.448 730 HB2 ALA 94 1HB ALA 94 1.384 10.167 -29.033 731 HB3 ALA 94 2HB ALA 94 1.288 9.190 -27.567 732 H THR 95 H THR 95 -1.067 10.058 -25.868 733 HA THR 95 HA THR 95 -3.454 10.979 -27.010 734 HB THR 95 HB THR 95 -2.958 9.979 -24.200 735 HG1 THR 95 HG1 THR 95 -3.613 8.739 -26.660 736 HG21 THR 95 3HG2 THR 95 -5.548 10.289 -25.723 737 HG22 THR 95 1HG2 THR 95 -5.050 11.232 -24.319 738 HG23 THR 95 2HG2 THR 95 -5.369 9.505 -24.154 739 H ALA 96 H ALA 96 -1.515 12.234 -24.342 740 HA ALA 96 HA ALA 96 -3.397 14.264 -23.615 741 HB1 ALA 96 3HB ALA 96 -0.576 13.637 -22.856 742 HB2 ALA 96 1HB ALA 96 -1.292 15.185 -22.403 743 HB3 ALA 96 2HB ALA 96 -2.025 13.678 -21.852 744 H GLU 97 H GLU 97 -0.506 14.124 -25.633 745 HA GLU 97 HA GLU 97 -0.288 16.906 -26.096 746 HB2 GLU 97 1HB GLU 97 1.614 15.538 -26.541 747 HB3 GLU 97 2HB GLU 97 0.699 14.507 -27.632 748 HG2 GLU 97 1HG GLU 97 0.886 15.938 -29.370 749 HG3 GLU 97 2HG GLU 97 0.854 17.368 -28.340 750 H LYS 98 H LYS 98 -2.165 14.366 -27.593 751 HA LYS 98 HA LYS 98 -2.859 15.549 -30.002 752 HB2 LYS 98 1HB LYS 98 -4.334 13.677 -28.168 753 HB3 LYS 98 2HB LYS 98 -5.064 14.241 -29.665 754 HG2 LYS 98 1HG LYS 98 -2.334 13.113 -29.842 755 HG3 LYS 98 2HG LYS 98 -3.655 11.992 -29.505 756 HD2 LYS 98 1HD LYS 98 -4.809 13.259 -31.498 757 HD3 LYS 98 2HD LYS 98 -3.144 13.660 -31.925 758 HE2 LYS 98 1HE LYS 98 -4.085 10.850 -31.388 759 HE3 LYS 98 2HE LYS 98 -4.085 11.577 -32.994 760 HZ1 LYS 98 3HZ LYS 98 -2.044 10.196 -32.041 761 HZ2 LYS 98 1HZ LYS 98 -1.594 11.733 -31.497 762 HZ3 LYS 98 2HZ LYS 98 -1.850 11.462 -33.146 763 H PHE 99 H PHE 99 -3.883 16.318 -26.779 764 HA PHE 99 HA PHE 99 -6.282 17.637 -27.253 765 HB2 PHE 99 1HB PHE 99 -4.129 17.977 -25.188 766 HB3 PHE 99 2HB PHE 99 -5.507 19.072 -25.222 767 HD1 PHE 99 HD1 PHE 99 -4.688 15.442 -25.160 768 HD2 PHE 99 HD2 PHE 99 -7.432 18.511 -24.080 769 HE1 PHE 99 HE1 PHE 99 -6.011 13.806 -23.884 770 HE2 PHE 99 HE2 PHE 99 -8.759 16.880 -22.802 771 HZ PHE 99 HZ PHE 99 -8.049 14.524 -22.702 772 H LYS 100 H LYS 100 -3.061 18.546 -28.064 773 HA LYS 100 HA LYS 100 -3.113 21.287 -28.148 774 HB2 LYS 100 1HB LYS 100 -1.140 19.969 -28.740 775 HB3 LYS 100 2HB LYS 100 -1.932 19.413 -30.208 776 HG2 LYS 100 1HG LYS 100 -1.733 21.469 -31.251 777 HG3 LYS 100 2HG LYS 100 -1.535 22.336 -29.726 778 HD2 LYS 100 1HD LYS 100 0.496 20.328 -30.642 779 HD3 LYS 100 2HD LYS 100 0.534 21.993 -31.226 780 HE2 LYS 100 1HE LYS 100 0.771 22.833 -28.992 781 HE3 LYS 100 2HE LYS 100 0.517 21.227 -28.311 782 HZ1 LYS 100 3HZ LYS 100 2.926 22.399 -29.051 783 HZ2 LYS 100 1HZ LYS 100 2.651 21.137 -30.144 784 HZ3 LYS 100 2HZ LYS 100 2.673 20.826 -28.482 785 H ASN 101 H ASN 101 -4.738 19.028 -30.265 786 HA ASN 101 HA ASN 101 -5.358 20.629 -32.429 787 HB2 ASN 101 1HB ASN 101 -6.735 18.330 -31.100 788 HB3 ASN 101 2HB ASN 101 -7.583 19.208 -32.369 789 HD21 ASN 101 1HD2 ASN 101 -5.938 16.532 -31.892 790 HD22 ASN 101 2HD2 ASN 101 -5.128 16.356 -33.408 791 H LYS 102 H LYS 102 -6.920 20.460 -29.271 792 HA LYS 102 HA LYS 102 -8.409 22.904 -29.963 793 HB2 LYS 102 1HB LYS 102 -9.749 20.682 -29.748 794 HB3 LYS 102 2HB LYS 102 -9.494 20.889 -28.020 795 HG2 LYS 102 1HG LYS 102 -11.520 21.909 -28.274 796 HG3 LYS 102 2HG LYS 102 -10.439 23.289 -28.482 797 HD2 LYS 102 1HD LYS 102 -11.867 23.543 -30.276 798 HD3 LYS 102 2HD LYS 102 -10.543 22.631 -31.005 799 HE2 LYS 102 1HE LYS 102 -12.568 21.617 -31.724 800 HE3 LYS 102 2HE LYS 102 -11.850 20.542 -30.526 801 HZ1 LYS 102 3HZ LYS 102 -14.244 20.831 -30.206 802 HZ2 LYS 102 1HZ LYS 102 -14.021 22.493 -29.977 803 HZ3 LYS 102 2HZ LYS 102 -13.365 21.392 -28.873 804 H GLY 103 H GLY 103 -5.814 22.440 -28.584 805 HA2 GLY 103 1HA GLY 103 -6.227 24.280 -26.433 806 HA3 GLY 103 2HA GLY 103 -5.886 22.660 -25.844 807 H PHE 104 H PHE 104 -4.626 25.326 -27.771 808 HA PHE 104 HA PHE 104 -2.107 24.307 -28.365 809 HB2 PHE 104 1HB PHE 104 -1.404 26.606 -28.684 810 HB3 PHE 104 2HB PHE 104 -3.043 26.411 -29.295 811 HD1 PHE 104 HD2 PHE 104 -1.002 27.800 -26.570 812 HD2 PHE 104 HD1 PHE 104 -4.872 27.582 -28.328 813 HE1 PHE 104 HE2 PHE 104 -1.745 29.671 -25.156 814 HE2 PHE 104 HE1 PHE 104 -5.621 29.454 -26.918 815 HZ PHE 104 HZ PHE 104 -4.058 30.500 -25.328 816 H LYS 105 H LYS 105 -3.420 25.333 -25.363 817 HA LYS 105 HA LYS 105 -0.784 25.570 -24.122 818 HB2 LYS 105 1HB LYS 105 -2.189 26.154 -22.071 819 HB3 LYS 105 2HB LYS 105 -2.216 27.297 -23.407 820 HG2 LYS 105 1HG LYS 105 -4.313 25.303 -23.623 821 HG3 LYS 105 2HG LYS 105 -4.405 26.227 -22.121 822 HD2 LYS 105 1HD LYS 105 -4.305 28.314 -23.431 823 HD3 LYS 105 2HD LYS 105 -4.286 27.361 -24.916 824 HE2 LYS 105 1HE LYS 105 -6.472 26.914 -22.940 825 HE3 LYS 105 2HE LYS 105 -6.529 28.350 -23.960 826 HZ1 LYS 105 3HZ LYS 105 -6.719 25.522 -24.725 827 HZ2 LYS 105 1HZ LYS 105 -6.084 26.628 -25.837 828 HZ3 LYS 105 2HZ LYS 105 -7.651 26.838 -25.236 829 H VAL 106 H VAL 106 -0.518 23.200 -24.636 830 HA VAL 106 HA VAL 106 -1.668 21.574 -22.462 831 HB VAL 106 HB VAL 106 -2.486 20.860 -24.675 832 HG11 VAL 106 1HG1 VAL 106 -0.039 21.508 -25.615 833 HG12 VAL 106 2HG1 VAL 106 0.118 19.755 -25.488 834 HG13 VAL 106 3HG1 VAL 106 -1.174 20.458 -26.462 835 HG21 VAL 106 3HG2 VAL 106 -1.312 19.266 -22.674 836 HG22 VAL 106 1HG2 VAL 106 -2.569 18.810 -23.824 837 HG23 VAL 106 2HG2 VAL 106 -0.872 18.539 -24.219 838 H GLU 107 H GLU 107 -0.292 20.480 -21.175 839 HA GLU 107 HA GLU 107 2.479 20.100 -21.996 840 HB2 GLU 107 1HB GLU 107 2.101 22.341 -20.708 841 HB3 GLU 107 2HB GLU 107 1.974 21.301 -19.296 842 HG2 GLU 107 1HG GLU 107 4.218 22.118 -19.482 843 HG3 GLU 107 2HG GLU 107 4.203 20.385 -19.804 844 H THR 108 H THR 108 3.542 18.438 -20.909 845 HA THR 108 HA THR 108 2.035 16.970 -18.871 846 HB THR 108 HB THR 108 2.212 14.869 -19.954 847 HG1 THR 108 HG1 THR 108 4.071 14.731 -21.019 848 HG21 THR 108 3HG2 THR 108 1.523 16.448 -22.368 849 HG22 THR 108 1HG2 THR 108 0.590 16.766 -20.907 850 HG23 THR 108 2HG2 THR 108 0.642 15.138 -21.583 851 H ASP 109 H ASP 109 3.282 15.868 -17.402 852 HA ASP 109 HA ASP 109 6.155 16.427 -17.526 853 HB2 ASP 109 1HB ASP 109 4.515 16.946 -15.509 854 HB3 ASP 109 2HB ASP 109 4.861 15.268 -15.098 855 H MET 110 H MET 110 7.630 14.739 -16.652 856 HA MET 110 HA MET 110 7.539 12.411 -18.133 857 HB2 MET 110 1HB MET 110 9.452 13.517 -16.702 858 HB3 MET 110 2HB MET 110 8.899 12.391 -15.469 859 HG2 MET 110 1HG MET 110 9.255 10.534 -17.051 860 HG3 MET 110 2HG MET 110 9.892 11.688 -18.220 861 HE1 MET 110 3HE MET 110 10.419 10.560 -14.403 862 HE2 MET 110 1HE MET 110 10.631 9.244 -15.558 863 HE3 MET 110 2HE MET 110 12.016 9.852 -14.651 Start of MODEL 18 1 H MET 1 H MET 1 2.589 0.426 0.796 2 HA MET 1 HA MET 1 -0.183 1.048 0.959 3 HB2 MET 1 1HB MET 1 2.302 2.588 0.318 4 HB3 MET 1 2HB MET 1 0.732 3.311 -0.009 5 HG2 MET 1 1HG MET 1 1.099 4.094 2.091 6 HG3 MET 1 2HG MET 1 0.249 2.598 2.469 7 HE1 MET 1 3HE MET 1 3.237 4.573 2.158 8 HE2 MET 1 1HE MET 1 4.019 4.229 3.700 9 HE3 MET 1 2HE MET 1 4.578 3.430 2.231 10 H THR 2 H THR 2 -1.264 2.376 -0.801 11 HA THR 2 HA THR 2 -0.891 0.985 -3.365 12 HB THR 2 HB THR 2 -3.350 2.566 -2.695 13 HG1 THR 2 HG1 THR 2 -3.832 1.177 -1.183 14 HG21 THR 2 3HG2 THR 2 -3.328 1.839 -4.929 15 HG22 THR 2 1HG2 THR 2 -4.335 0.659 -4.093 16 HG23 THR 2 2HG2 THR 2 -2.666 0.262 -4.501 17 H LEU 3 H LEU 3 -0.895 2.135 -5.310 18 HA LEU 3 HA LEU 3 -0.128 4.950 -5.030 19 HB2 LEU 3 1HB LEU 3 0.304 2.934 -7.222 20 HB3 LEU 3 2HB LEU 3 0.680 4.647 -7.402 21 HG LEU 3 HG LEU 3 1.902 3.068 -5.172 22 HD11 LEU 3 1HD1 LEU 3 3.526 2.127 -6.470 23 HD12 LEU 3 2HD1 LEU 3 3.348 3.320 -7.757 24 HD13 LEU 3 3HD1 LEU 3 2.159 2.030 -7.580 25 HD21 LEU 3 3HD2 LEU 3 2.084 5.544 -5.267 26 HD22 LEU 3 1HD2 LEU 3 2.923 5.383 -6.810 27 HD23 LEU 3 2HD2 LEU 3 3.640 4.716 -5.344 28 H CYS 4 H CYS 4 -1.764 6.324 -5.268 29 HA CYS 4 HA CYS 4 -3.819 5.734 -7.290 30 HB2 CYS 4 1HB CYS 4 -5.346 7.082 -6.036 31 HB3 CYS 4 2HB CYS 4 -4.559 5.995 -4.898 32 HG CYS 4 HG CYS 4 -2.803 8.747 -5.027 33 H ALA 5 H ALA 5 -4.725 7.616 -8.436 34 HA ALA 5 HA ALA 5 -2.728 9.747 -8.828 35 HB1 ALA 5 3HB ALA 5 -3.970 9.528 -11.269 36 HB2 ALA 5 1HB ALA 5 -2.380 8.885 -10.857 37 HB3 ALA 5 2HB ALA 5 -3.804 7.849 -10.756 38 H MET 6 H MET 6 -3.491 11.804 -9.081 39 HA MET 6 HA MET 6 -6.346 12.181 -8.549 40 HB2 MET 6 1HB MET 6 -4.209 13.301 -7.329 41 HB3 MET 6 2HB MET 6 -4.530 14.516 -8.560 42 HG2 MET 6 1HG MET 6 -5.773 15.271 -6.779 43 HG3 MET 6 2HG MET 6 -6.967 14.384 -7.724 44 HE1 MET 6 3HE MET 6 -8.014 12.560 -7.332 45 HE2 MET 6 1HE MET 6 -7.366 11.198 -6.418 46 HE3 MET 6 2HE MET 6 -8.593 12.239 -5.697 47 H TYR 7 H TYR 7 -7.672 12.771 -10.126 48 HA TYR 7 HA TYR 7 -6.533 14.113 -12.490 49 HB2 TYR 7 1HB TYR 7 -7.542 11.660 -12.604 50 HB3 TYR 7 2HB TYR 7 -9.060 12.543 -12.710 51 HD1 TYR 7 HD2 TYR 7 -8.887 14.626 -14.449 52 HD2 TYR 7 HD1 TYR 7 -6.595 11.044 -14.606 53 HE1 TYR 7 HE2 TYR 7 -8.521 14.972 -16.856 54 HE2 TYR 7 HE1 TYR 7 -6.221 11.382 -17.014 55 HH TYR 7 HH TYR 7 -7.369 12.588 -18.903 56 H ASN 8 H ASN 8 -7.057 16.200 -12.302 57 HA ASN 8 HA ASN 8 -9.681 16.949 -11.255 58 HB2 ASN 8 1HB ASN 8 -7.526 18.883 -12.072 59 HB3 ASN 8 2HB ASN 8 -8.813 19.103 -10.891 60 HD21 ASN 8 1HD2 ASN 8 -5.595 18.270 -11.378 61 HD22 ASN 8 2HD2 ASN 8 -5.237 17.704 -9.786 62 H ILE 9 H ILE 9 -11.186 16.744 -12.821 63 HA ILE 9 HA ILE 9 -10.629 17.977 -15.436 64 HB ILE 9 HB ILE 9 -11.201 15.598 -15.562 65 HG12 ILE 9 1HG1 ILE 9 -13.388 17.411 -16.604 66 HG13 ILE 9 2HG1 ILE 9 -11.853 17.088 -17.402 67 HG21 ILE 9 1HG2 ILE 9 -12.587 15.548 -13.505 68 HG22 ILE 9 2HG2 ILE 9 -13.871 16.366 -14.395 69 HG23 ILE 9 3HG2 ILE 9 -13.347 14.754 -14.884 70 HD11 ILE 9 3HD1 ILE 9 -14.290 15.670 -17.609 71 HD12 ILE 9 1HD1 ILE 9 -12.758 15.356 -18.425 72 HD13 ILE 9 2HD1 ILE 9 -13.099 14.602 -16.867 73 H SER 10 H SER 10 -11.741 19.721 -16.046 74 HA SER 10 HA SER 10 -14.238 20.376 -14.640 75 HB2 SER 10 1HB SER 10 -12.422 22.619 -15.385 76 HB3 SER 10 2HB SER 10 -13.566 22.494 -14.049 77 HG SER 10 HG SER 10 -11.139 21.033 -14.201 78 H MET 11 H MET 11 -15.451 19.740 -16.423 79 HA MET 11 HA MET 11 -14.984 20.412 -19.084 80 HB2 MET 11 1HB MET 11 -16.842 18.921 -17.820 81 HB3 MET 11 2HB MET 11 -17.810 20.339 -18.199 82 HG2 MET 11 1HG MET 11 -17.740 19.965 -20.439 83 HG3 MET 11 2HG MET 11 -16.164 19.181 -20.371 84 HE1 MET 11 3HE MET 11 -19.029 18.513 -21.870 85 HE2 MET 11 1HE MET 11 -19.847 17.083 -21.241 86 HE3 MET 11 2HE MET 11 -20.040 18.637 -20.430 87 H ALA 12 H ALA 12 -16.669 21.820 -20.346 88 HA ALA 12 HA ALA 12 -16.111 24.487 -19.883 89 HB1 ALA 12 3HB ALA 12 -18.638 24.299 -21.200 90 HB2 ALA 12 1HB ALA 12 -17.056 24.682 -21.879 91 HB3 ALA 12 2HB ALA 12 -17.587 23.003 -21.770 92 H GLY 13 H GLY 13 -16.526 25.414 -17.951 93 HA2 GLY 13 1HA GLY 13 -17.711 26.278 -16.185 94 HA3 GLY 13 2HA GLY 13 -19.066 26.342 -17.302 95 H SER 14 H SER 14 -17.288 23.643 -15.806 96 HA SER 14 HA SER 14 -19.844 22.725 -14.665 97 HB2 SER 14 1HB SER 14 -19.285 21.312 -16.575 98 HB3 SER 14 2HB SER 14 -17.675 21.021 -15.915 99 HG SER 14 HG SER 14 -20.139 20.260 -14.725 100 H HIS 15 H HIS 15 -17.246 24.153 -13.732 101 HA HIS 15 HA HIS 15 -16.041 24.278 -11.806 102 HB2 HIS 15 1HB HIS 15 -18.435 22.728 -11.063 103 HB3 HIS 15 2HB HIS 15 -17.058 22.523 -9.984 104 HD1 HIS 15 HD1 HIS 15 -15.972 25.411 -10.016 105 HD2 HIS 15 HD2 HIS 15 -19.983 24.417 -9.588 106 HE1 HIS 15 HE1 HIS 15 -17.033 27.378 -8.863 107 HA PRO 16 HA PRO 16 -12.999 21.119 -11.855 108 HB2 PRO 16 1HB PRO 16 -12.018 21.205 -9.325 109 HB3 PRO 16 2HB PRO 16 -11.707 22.470 -10.519 110 HG2 PRO 16 1HG PRO 16 -13.712 22.415 -8.297 111 HG3 PRO 16 2HG PRO 16 -12.659 23.742 -8.821 112 HD2 PRO 16 1HD PRO 16 -15.273 23.597 -9.512 113 HD3 PRO 16 2HD PRO 16 -14.043 24.318 -10.571 114 H THR 17 H THR 17 -13.050 18.962 -11.758 115 HA THR 17 HA THR 17 -14.642 17.695 -9.624 116 HB THR 17 HB THR 17 -14.296 16.768 -12.482 117 HG1 THR 17 HG1 THR 17 -16.339 18.068 -11.056 118 HG21 THR 17 3HG2 THR 17 -14.562 14.734 -11.533 119 HG22 THR 17 1HG2 THR 17 -16.256 15.215 -11.451 120 HG23 THR 17 2HG2 THR 17 -15.218 15.401 -10.038 121 H THR 18 H THR 18 -13.384 16.652 -8.238 122 HA THR 18 HA THR 18 -10.727 15.785 -8.986 123 HB THR 18 HB THR 18 -11.947 15.111 -6.340 124 HG1 THR 18 HG1 THR 18 -11.330 17.283 -5.676 125 HG21 THR 18 3HG2 THR 18 -9.646 15.722 -5.584 126 HG22 THR 18 1HG2 THR 18 -9.212 15.982 -7.273 127 HG23 THR 18 2HG2 THR 18 -9.691 14.376 -6.723 128 H ILE 19 H ILE 19 -10.592 13.964 -10.144 129 HA ILE 19 HA ILE 19 -12.257 11.671 -9.340 130 HB ILE 19 HB ILE 19 -10.832 11.979 -11.978 131 HG12 ILE 19 1HG1 ILE 19 -13.705 12.652 -11.304 132 HG13 ILE 19 2HG1 ILE 19 -12.446 13.813 -11.712 133 HG21 ILE 19 1HG2 ILE 19 -13.265 10.321 -11.526 134 HG22 ILE 19 2HG2 ILE 19 -11.937 10.091 -12.663 135 HG23 ILE 19 3HG2 ILE 19 -11.707 9.725 -10.953 136 HD11 ILE 19 3HD1 ILE 19 -13.954 13.363 -13.584 137 HD12 ILE 19 1HD1 ILE 19 -12.291 12.899 -13.944 138 HD13 ILE 19 2HD1 ILE 19 -13.484 11.663 -13.543 139 H CYS 20 H CYS 20 -11.203 10.247 -8.136 140 HA CYS 20 HA CYS 20 -8.307 10.036 -8.297 141 HB2 CYS 20 1HB CYS 20 -9.582 10.110 -6.107 142 HB3 CYS 20 2HB CYS 20 -10.163 8.492 -6.483 143 HG CYS 20 HG CYS 20 -8.148 7.254 -5.500 144 H VAL 21 H VAL 21 -7.410 8.694 -9.702 145 HA VAL 21 HA VAL 21 -8.783 6.153 -10.294 146 HB VAL 21 HB VAL 21 -7.035 7.715 -12.200 147 HG11 VAL 21 1HG1 VAL 21 -8.125 6.079 -13.841 148 HG12 VAL 21 2HG1 VAL 21 -6.855 5.456 -12.785 149 HG13 VAL 21 3HG1 VAL 21 -8.550 5.133 -12.415 150 HG21 VAL 21 3HG2 VAL 21 -10.032 7.373 -12.240 151 HG22 VAL 21 1HG2 VAL 21 -9.187 8.837 -11.738 152 HG23 VAL 21 2HG2 VAL 21 -9.057 8.271 -13.403 153 H VAL 22 H VAL 22 -7.604 4.309 -10.197 154 HA VAL 22 HA VAL 22 -5.314 4.138 -8.667 155 HB VAL 22 HB VAL 22 -6.072 2.188 -10.845 156 HG11 VAL 22 1HG1 VAL 22 -4.045 1.421 -10.113 157 HG12 VAL 22 2HG1 VAL 22 -4.243 2.107 -8.499 158 HG13 VAL 22 3HG1 VAL 22 -5.107 0.636 -8.945 159 HG21 VAL 22 3HG2 VAL 22 -7.074 1.129 -8.561 160 HG22 VAL 22 1HG2 VAL 22 -7.349 2.848 -8.280 161 HG23 VAL 22 2HG2 VAL 22 -8.018 2.072 -9.716 162 H MET 23 H MET 23 -3.120 3.806 -9.120 163 HA MET 23 HA MET 23 -1.955 5.435 -11.026 164 HB2 MET 23 1HB MET 23 -0.768 4.567 -9.056 165 HB3 MET 23 2HB MET 23 -0.773 2.956 -9.761 166 HG2 MET 23 1HG MET 23 0.404 4.298 -11.752 167 HG3 MET 23 2HG MET 23 0.901 5.299 -10.390 168 HE1 MET 23 3HE MET 23 1.264 0.965 -11.089 169 HE2 MET 23 1HE MET 23 0.827 2.234 -12.234 170 HE3 MET 23 2HE MET 23 2.507 1.715 -12.091 171 H ASP 24 H ASP 24 -2.321 1.892 -11.155 172 HA ASP 24 HA ASP 24 -1.274 1.606 -13.759 173 HB2 ASP 24 1HB ASP 24 -2.458 -0.628 -13.695 174 HB3 ASP 24 2HB ASP 24 -1.346 -0.325 -12.362 175 H ARG 25 H ARG 25 -4.395 2.523 -12.573 176 HA ARG 25 HA ARG 25 -5.667 2.110 -15.162 177 HB2 ARG 25 1HB ARG 25 -6.754 1.674 -12.856 178 HB3 ARG 25 2HB ARG 25 -6.952 3.420 -12.781 179 HG2 ARG 25 1HG ARG 25 -8.983 2.497 -13.592 180 HG3 ARG 25 2HG ARG 25 -8.185 3.294 -14.949 181 HD2 ARG 25 1HD ARG 25 -9.081 1.155 -15.648 182 HD3 ARG 25 2HD ARG 25 -7.319 1.117 -15.693 183 HE ARG 25 HE ARG 25 -8.159 0.149 -13.207 184 HH11 ARG 25 1HH1 ARG 25 -8.263 -0.738 -16.572 185 HH12 ARG 25 2HH1 ARG 25 -8.291 -2.441 -16.256 186 HH21 ARG 25 1HH2 ARG 25 -8.196 -2.090 -12.779 187 HH22 ARG 25 2HH2 ARG 25 -8.254 -3.210 -14.098 188 H PHE 26 H PHE 26 -3.602 4.300 -14.131 189 HA PHE 26 HA PHE 26 -4.851 6.794 -14.497 190 HB2 PHE 26 1HB PHE 26 -2.685 6.630 -13.417 191 HB3 PHE 26 2HB PHE 26 -1.965 5.978 -14.886 192 HD1 PHE 26 HD1 PHE 26 -1.494 7.411 -16.785 193 HD2 PHE 26 HD2 PHE 26 -3.168 8.978 -13.199 194 HE1 PHE 26 HE1 PHE 26 -0.925 9.689 -17.519 195 HE2 PHE 26 HE2 PHE 26 -2.602 11.259 -13.927 196 HZ PHE 26 HZ PHE 26 -1.480 11.617 -16.090 197 H LEU 27 H LEU 27 -2.815 4.927 -16.754 198 HA LEU 27 HA LEU 27 -3.099 6.582 -18.967 199 HB2 LEU 27 1HB LEU 27 -1.484 4.757 -18.837 200 HB3 LEU 27 2HB LEU 27 -2.797 3.582 -18.896 201 HG LEU 27 HG LEU 27 -3.275 4.120 -21.171 202 HD11 LEU 27 1HD1 LEU 27 -1.429 5.858 -22.135 203 HD12 LEU 27 2HD1 LEU 27 -1.755 6.549 -20.546 204 HD13 LEU 27 3HD1 LEU 27 -3.078 6.294 -21.684 205 HD21 LEU 27 3HD2 LEU 27 -1.621 2.778 -21.785 206 HD22 LEU 27 1HD2 LEU 27 -0.749 3.168 -20.303 207 HD23 LEU 27 2HD2 LEU 27 -0.496 4.136 -21.755 208 H GLU 28 H GLU 28 -5.174 3.974 -17.810 209 HA GLU 28 HA GLU 28 -6.889 3.848 -20.038 210 HB2 GLU 28 1HB GLU 28 -7.385 3.190 -17.131 211 HB3 GLU 28 2HB GLU 28 -8.510 2.815 -18.430 212 HG2 GLU 28 1HG GLU 28 -5.676 1.823 -18.381 213 HG3 GLU 28 2HG GLU 28 -7.024 0.935 -17.674 214 H SER 29 H SER 29 -7.212 5.605 -16.960 215 HA SER 29 HA SER 29 -9.668 6.813 -17.456 216 HB2 SER 29 1HB SER 29 -9.052 7.154 -15.277 217 HB3 SER 29 2HB SER 29 -7.352 7.391 -15.683 218 HG SER 29 HG SER 29 -7.791 9.473 -16.283 219 H PHE 30 H PHE 30 -6.398 8.040 -18.124 220 HA PHE 30 HA PHE 30 -7.173 10.492 -19.239 221 HB2 PHE 30 1HB PHE 30 -4.833 9.723 -18.529 222 HB3 PHE 30 2HB PHE 30 -4.734 8.951 -20.109 223 HD1 PHE 30 HD1 PHE 30 -4.944 12.160 -18.339 224 HD2 PHE 30 HD2 PHE 30 -4.435 10.233 -22.100 225 HE1 PHE 30 HE1 PHE 30 -4.208 14.290 -19.327 226 HE2 PHE 30 HE2 PHE 30 -3.697 12.360 -23.094 227 HZ PHE 30 HZ PHE 30 -3.583 14.392 -21.707 228 H SER 31 H SER 31 -6.638 7.326 -20.723 229 HA SER 31 HA SER 31 -6.873 8.067 -23.401 230 HB2 SER 31 1HB SER 31 -6.221 5.786 -22.369 231 HB3 SER 31 2HB SER 31 -7.954 5.458 -22.357 232 HG SER 31 HG SER 31 -6.244 5.292 -24.398 233 H GLU 32 H GLU 32 -9.396 6.918 -21.166 234 HA GLU 32 HA GLU 32 -11.520 7.214 -23.019 235 HB2 GLU 32 1HB GLU 32 -11.291 6.732 -20.091 236 HB3 GLU 32 2HB GLU 32 -12.835 7.312 -20.699 237 HG2 GLU 32 1HG GLU 32 -11.389 4.813 -21.543 238 HG3 GLU 32 2HG GLU 32 -12.860 4.914 -20.578 239 H LEU 33 H LEU 33 -9.972 9.375 -20.760 240 HA LEU 33 HA LEU 33 -11.968 11.360 -20.636 241 HB2 LEU 33 1HB LEU 33 -9.783 11.023 -19.255 242 HB3 LEU 33 2HB LEU 33 -9.055 12.019 -20.513 243 HG LEU 33 HG LEU 33 -9.658 13.321 -18.525 244 HD11 LEU 33 1HD1 LEU 33 -10.019 14.010 -21.116 245 HD12 LEU 33 2HD1 LEU 33 -10.207 15.117 -19.756 246 HD13 LEU 33 3HD1 LEU 33 -11.623 14.335 -20.459 247 HD21 LEU 33 3HD2 LEU 33 -11.575 13.023 -17.448 248 HD22 LEU 33 1HD2 LEU 33 -11.996 11.760 -18.604 249 HD23 LEU 33 2HD2 LEU 33 -12.494 13.426 -18.899 250 H TYR 34 H TYR 34 -9.158 10.972 -22.768 251 HA TYR 34 HA TYR 34 -9.415 13.357 -24.195 252 HB2 TYR 34 1HB TYR 34 -7.410 12.105 -24.456 253 HB3 TYR 34 2HB TYR 34 -8.288 10.668 -24.967 254 HD1 TYR 34 HD1 TYR 34 -8.147 14.249 -26.055 255 HD2 TYR 34 HD2 TYR 34 -7.984 10.150 -27.185 256 HE1 TYR 34 HE1 TYR 34 -7.856 14.915 -28.404 257 HE2 TYR 34 HE2 TYR 34 -7.690 10.805 -29.538 258 HH TYR 34 HH TYR 34 -8.409 13.655 -30.756 259 H ASP 35 H ASP 35 -11.317 10.499 -24.266 260 HA ASP 35 HA ASP 35 -12.463 11.058 -26.875 261 HB2 ASP 35 1HB ASP 35 -12.543 8.832 -24.942 262 HB3 ASP 35 2HB ASP 35 -14.044 9.107 -25.822 263 H ILE 36 H ILE 36 -13.819 10.629 -23.600 264 HA ILE 36 HA ILE 36 -16.336 11.683 -24.136 265 HB ILE 36 HB ILE 36 -15.896 10.467 -22.087 266 HG12 ILE 36 1HG1 ILE 36 -16.634 13.309 -21.371 267 HG13 ILE 36 2HG1 ILE 36 -17.726 12.198 -22.191 268 HG21 ILE 36 1HG2 ILE 36 -14.354 12.837 -21.068 269 HG22 ILE 36 2HG2 ILE 36 -14.518 11.242 -20.335 270 HG23 ILE 36 3HG2 ILE 36 -13.576 11.441 -21.813 271 HD11 ILE 36 3HD1 ILE 36 -16.655 10.956 -19.845 272 HD12 ILE 36 1HD1 ILE 36 -17.355 12.524 -19.440 273 HD13 ILE 36 2HD1 ILE 36 -18.332 11.307 -20.263 274 H ILE 37 H ILE 37 -13.356 13.306 -23.173 275 HA ILE 37 HA ILE 37 -14.350 15.833 -22.595 276 HB ILE 37 HB ILE 37 -11.978 15.067 -22.286 277 HG12 ILE 37 1HG1 ILE 37 -11.055 17.388 -23.163 278 HG13 ILE 37 2HG1 ILE 37 -12.762 17.706 -23.449 279 HG21 ILE 37 1HG2 ILE 37 -11.534 15.921 -25.127 280 HG22 ILE 37 2HG2 ILE 37 -10.436 15.066 -24.045 281 HG23 ILE 37 3HG2 ILE 37 -11.847 14.238 -24.701 282 HD11 ILE 37 3HD1 ILE 37 -12.035 18.559 -21.292 283 HD12 ILE 37 1HD1 ILE 37 -13.241 17.287 -21.102 284 HD13 ILE 37 2HD1 ILE 37 -11.537 16.937 -20.811 285 H ASP 38 H ASP 38 -13.867 14.263 -25.666 286 HA ASP 38 HA ASP 38 -14.405 16.740 -27.122 287 HB2 ASP 38 1HB ASP 38 -13.405 14.023 -27.905 288 HB3 ASP 38 2HB ASP 38 -14.098 15.088 -29.126 289 H GLU 39 H GLU 39 -16.465 15.507 -25.489 290 HA GLU 39 HA GLU 39 -18.516 15.295 -27.545 291 HB2 GLU 39 1HB GLU 39 -17.642 12.962 -26.851 292 HB3 GLU 39 2HB GLU 39 -18.487 13.255 -25.338 293 HG2 GLU 39 1HG GLU 39 -20.072 12.109 -26.520 294 HG3 GLU 39 2HG GLU 39 -20.511 13.775 -26.893 295 H ASN 40 H ASN 40 -20.622 15.777 -26.804 296 HA ASN 40 HA ASN 40 -20.635 17.460 -24.437 297 HB2 ASN 40 1HB ASN 40 -22.956 18.040 -25.225 298 HB3 ASN 40 2HB ASN 40 -21.675 18.409 -26.375 299 HD21 ASN 40 1HD2 ASN 40 -22.941 18.329 -28.177 300 HD22 ASN 40 2HD2 ASN 40 -23.655 16.873 -28.773 301 H ASP 41 H ASP 41 -20.272 15.049 -23.474 302 HA ASP 41 HA ASP 41 -22.902 13.968 -22.736 303 HB2 ASP 41 1HB ASP 41 -20.129 12.783 -22.510 304 HB3 ASP 41 2HB ASP 41 -21.584 12.013 -21.884 305 H THR 42 H THR 42 -23.436 15.561 -21.206 306 HA THR 42 HA THR 42 -21.680 16.021 -18.949 307 HB THR 42 HB THR 42 -23.508 17.489 -18.118 308 HG1 THR 42 HG1 THR 42 -24.817 17.135 -20.592 309 HG21 THR 42 3HG2 THR 42 -23.482 19.001 -20.274 310 HG22 THR 42 1HG2 THR 42 -22.297 17.817 -20.825 311 HG23 THR 42 2HG2 THR 42 -22.008 18.730 -19.344 312 H ASP 43 H ASP 43 -24.937 14.665 -19.444 313 HA ASP 43 HA ASP 43 -25.407 13.877 -16.808 314 HB2 ASP 43 1HB ASP 43 -26.476 13.072 -19.470 315 HB3 ASP 43 2HB ASP 43 -26.830 12.029 -18.096 316 H VAL 44 H VAL 44 -23.353 12.522 -19.220 317 HA VAL 44 HA VAL 44 -23.149 9.935 -17.929 318 HB VAL 44 HB VAL 44 -21.422 11.034 -20.148 319 HG11 VAL 44 1HG1 VAL 44 -20.319 9.155 -19.441 320 HG12 VAL 44 2HG1 VAL 44 -21.795 8.363 -18.886 321 HG13 VAL 44 3HG1 VAL 44 -21.431 8.443 -20.610 322 HG21 VAL 44 3HG2 VAL 44 -22.920 9.915 -21.706 323 HG22 VAL 44 1HG2 VAL 44 -23.960 9.417 -20.371 324 HG23 VAL 44 2HG2 VAL 44 -23.795 11.127 -20.771 325 H MET 45 H MET 45 -21.707 12.999 -17.626 326 HA MET 45 HA MET 45 -19.082 12.462 -16.951 327 HB2 MET 45 1HB MET 45 -19.919 14.731 -17.157 328 HB3 MET 45 2HB MET 45 -20.961 14.507 -15.758 329 HG2 MET 45 1HG MET 45 -19.233 14.665 -14.268 330 HG3 MET 45 2HG MET 45 -18.033 14.112 -15.433 331 HE1 MET 45 3HE MET 45 -16.510 15.301 -16.407 332 HE2 MET 45 1HE MET 45 -16.381 17.042 -16.657 333 HE3 MET 45 2HE MET 45 -16.141 16.362 -15.047 334 H MET 46 H MET 46 -21.898 12.553 -14.768 335 HA MET 46 HA MET 46 -20.588 11.876 -12.414 336 HB2 MET 46 1HB MET 46 -22.815 11.012 -11.662 337 HB3 MET 46 2HB MET 46 -22.858 12.636 -12.334 338 HG2 MET 46 1HG MET 46 -23.593 11.632 -14.499 339 HG3 MET 46 2HG MET 46 -23.729 10.086 -13.664 340 HE1 MET 46 3HE MET 46 -25.705 9.475 -14.030 341 HE2 MET 46 1HE MET 46 -26.788 9.672 -12.652 342 HE3 MET 46 2HE MET 46 -27.159 10.463 -14.184 343 H ASP 47 H ASP 47 -22.058 9.754 -14.850 344 HA ASP 47 HA ASP 47 -21.520 7.327 -13.517 345 HB2 ASP 47 1HB ASP 47 -23.151 7.347 -15.274 346 HB3 ASP 47 2HB ASP 47 -21.976 7.956 -16.436 347 H PHE 48 H PHE 48 -19.641 9.287 -15.749 348 HA PHE 48 HA PHE 48 -17.603 7.392 -16.251 349 HB2 PHE 48 1HB PHE 48 -17.793 9.230 -17.752 350 HB3 PHE 48 2HB PHE 48 -17.681 10.402 -16.443 351 HD1 PHE 48 HD2 PHE 48 -15.799 8.013 -18.505 352 HD2 PHE 48 HD1 PHE 48 -15.574 11.087 -15.569 353 HE1 PHE 48 HE2 PHE 48 -13.369 8.167 -18.857 354 HE2 PHE 48 HE1 PHE 48 -13.143 11.247 -15.918 355 HZ PHE 48 HZ PHE 48 -12.038 9.785 -17.563 356 H ILE 49 H ILE 49 -17.975 9.937 -13.828 357 HA ILE 49 HA ILE 49 -15.387 9.599 -12.688 358 HB ILE 49 HB ILE 49 -17.869 10.837 -11.492 359 HG12 ILE 49 1HG1 ILE 49 -15.576 12.478 -12.408 360 HG13 ILE 49 2HG1 ILE 49 -16.547 11.726 -13.669 361 HG21 ILE 49 1HG2 ILE 49 -15.502 11.947 -10.423 362 HG22 ILE 49 2HG2 ILE 49 -16.740 11.008 -9.591 363 HG23 ILE 49 3HG2 ILE 49 -15.354 10.193 -10.316 364 HD11 ILE 49 3HD1 ILE 49 -18.547 12.785 -12.753 365 HD12 ILE 49 1HD1 ILE 49 -17.565 13.546 -11.501 366 HD13 ILE 49 2HD1 ILE 49 -17.319 13.971 -13.195 367 H SER 50 H SER 50 -18.585 8.296 -11.979 368 HA SER 50 HA SER 50 -17.753 6.964 -9.579 369 HB2 SER 50 1HB SER 50 -20.058 7.561 -9.710 370 HB3 SER 50 2HB SER 50 -20.242 6.782 -11.281 371 HG SER 50 HG SER 50 -20.762 5.714 -8.990 372 H ARG 51 H ARG 51 -17.778 6.219 -12.956 373 HA ARG 51 HA ARG 51 -17.566 3.369 -12.617 374 HB2 ARG 51 1HB ARG 51 -17.438 5.258 -14.931 375 HB3 ARG 51 2HB ARG 51 -16.808 3.629 -15.127 376 HG2 ARG 51 1HG ARG 51 -19.584 4.193 -14.126 377 HG3 ARG 51 2HG ARG 51 -19.195 3.991 -15.835 378 HD2 ARG 51 1HD ARG 51 -18.129 1.773 -15.143 379 HD3 ARG 51 2HD ARG 51 -18.977 1.984 -13.612 380 HE ARG 51 HE ARG 51 -20.947 2.284 -15.425 381 HH11 ARG 51 1HH1 ARG 51 -18.495 -0.147 -14.981 382 HH12 ARG 51 2HH1 ARG 51 -19.461 -1.427 -15.638 383 HH21 ARG 51 1HH2 ARG 51 -22.228 0.608 -16.292 384 HH22 ARG 51 2HH2 ARG 51 -21.584 -0.996 -16.384 385 H PHE 52 H PHE 52 -15.340 5.988 -13.523 386 HA PHE 52 HA PHE 52 -13.066 4.216 -13.526 387 HB2 PHE 52 1HB PHE 52 -13.569 7.066 -14.160 388 HB3 PHE 52 2HB PHE 52 -11.949 6.672 -13.593 389 HD1 PHE 52 HD2 PHE 52 -10.683 4.829 -14.810 390 HD2 PHE 52 HD1 PHE 52 -14.183 6.683 -16.369 391 HE1 PHE 52 HE2 PHE 52 -10.081 4.060 -17.068 392 HE2 PHE 52 HE1 PHE 52 -13.586 5.916 -18.630 393 HZ PHE 52 HZ PHE 52 -11.532 4.604 -18.982 394 H ALA 53 H ALA 53 -14.156 6.947 -11.524 395 HA ALA 53 HA ALA 53 -12.132 6.321 -9.522 396 HB1 ALA 53 3HB ALA 53 -13.750 8.386 -8.562 397 HB2 ALA 53 1HB ALA 53 -12.153 8.530 -9.296 398 HB3 ALA 53 2HB ALA 53 -13.600 8.672 -10.296 399 H ARG 54 H ARG 54 -12.903 6.455 -7.175 400 HA ARG 54 HA ARG 54 -14.060 5.521 -5.454 401 HB2 ARG 54 1HB ARG 54 -15.880 6.987 -6.687 402 HB3 ARG 54 2HB ARG 54 -16.564 5.415 -7.078 403 HG2 ARG 54 1HG ARG 54 -16.494 4.903 -4.610 404 HG3 ARG 54 2HG ARG 54 -16.110 6.607 -4.360 405 HD2 ARG 54 1HD ARG 54 -18.190 7.172 -5.632 406 HD3 ARG 54 2HD ARG 54 -18.589 5.455 -5.626 407 HE ARG 54 HE ARG 54 -18.088 6.327 -2.993 408 HH11 ARG 54 1HH1 ARG 54 -20.451 6.593 -5.535 409 HH12 ARG 54 2HH1 ARG 54 -21.780 6.841 -4.452 410 HH21 ARG 54 1HH2 ARG 54 -19.829 6.652 -1.557 411 HH22 ARG 54 2HH2 ARG 54 -21.425 6.875 -2.189 412 H THR 55 H THR 55 -12.630 3.693 -6.621 413 HA THR 55 HA THR 55 -14.376 1.437 -7.318 414 HB THR 55 HB THR 55 -12.499 0.365 -8.306 415 HG1 THR 55 HG1 THR 55 -10.491 0.790 -7.727 416 HG21 THR 55 3HG2 THR 55 -11.679 2.059 -9.921 417 HG22 THR 55 1HG2 THR 55 -12.412 3.319 -8.929 418 HG23 THR 55 2HG2 THR 55 -13.428 2.105 -9.706 419 H ASP 56 H ASP 56 -12.204 2.618 -4.898 420 HA ASP 56 HA ASP 56 -12.749 0.234 -3.286 421 HB2 ASP 56 1HB ASP 56 -10.053 1.315 -4.019 422 HB3 ASP 56 2HB ASP 56 -10.282 0.561 -2.443 423 H GLU 57 H GLU 57 -11.856 0.669 -0.954 424 HA GLU 57 HA GLU 57 -12.895 3.298 -0.181 425 HB2 GLU 57 1HB GLU 57 -12.318 0.986 1.664 426 HB3 GLU 57 2HB GLU 57 -13.347 2.380 1.963 427 HG2 GLU 57 1HG GLU 57 -14.930 1.583 0.293 428 HG3 GLU 57 2HG GLU 57 -13.894 0.195 -0.034 429 H ILE 58 H ILE 58 -10.292 3.192 -1.260 430 HA ILE 58 HA ILE 58 -8.623 3.706 1.114 431 HB ILE 58 HB ILE 58 -7.595 3.164 -1.667 432 HG12 ILE 58 1HG1 ILE 58 -8.849 1.205 -0.906 433 HG13 ILE 58 2HG1 ILE 58 -7.121 0.871 -0.902 434 HG21 ILE 58 1HG2 ILE 58 -5.964 4.267 -0.369 435 HG22 ILE 58 2HG2 ILE 58 -6.334 3.300 1.057 436 HG23 ILE 58 3HG2 ILE 58 -5.532 2.558 -0.327 437 HD11 ILE 58 3HD1 ILE 58 -8.872 1.455 1.468 438 HD12 ILE 58 1HD1 ILE 58 -8.069 -0.063 1.068 439 HD13 ILE 58 2HD1 ILE 58 -7.114 1.342 1.542 440 H MET 59 H MET 59 -7.233 5.529 1.094 441 HA MET 59 HA MET 59 -7.053 7.417 -0.956 442 HB2 MET 59 1HB MET 59 -9.511 7.546 0.568 443 HB3 MET 59 2HB MET 59 -8.581 9.028 0.749 444 HG2 MET 59 1HG MET 59 -8.407 8.676 -1.915 445 HG3 MET 59 2HG MET 59 -9.975 7.939 -1.597 446 HE1 MET 59 3HE MET 59 -11.083 9.553 0.832 447 HE2 MET 59 1HE MET 59 -11.960 10.868 0.049 448 HE3 MET 59 2HE MET 59 -12.058 9.233 -0.603 449 HA PRO 60 HA PRO 60 -5.558 9.463 3.150 450 HB2 PRO 60 1HB PRO 60 -6.156 8.199 5.477 451 HB3 PRO 60 2HB PRO 60 -7.218 9.404 4.738 452 HG2 PRO 60 1HG PRO 60 -7.386 6.417 4.639 453 HG3 PRO 60 2HG PRO 60 -8.683 7.603 4.875 454 HD2 PRO 60 1HD PRO 60 -8.215 6.413 2.489 455 HD3 PRO 60 2HD PRO 60 -8.837 8.070 2.624 456 H GLU 61 H GLU 61 -5.386 6.176 2.354 457 HA GLU 61 HA GLU 61 -2.924 5.778 3.904 458 HB2 GLU 61 1HB GLU 61 -4.443 3.708 2.317 459 HB3 GLU 61 2HB GLU 61 -3.182 3.427 3.510 460 HG2 GLU 61 1HG GLU 61 -4.744 4.497 5.197 461 HG3 GLU 61 2HG GLU 61 -5.997 4.358 3.965 462 H ASP 62 H ASP 62 -4.193 5.237 0.618 463 HA ASP 62 HA ASP 62 -1.782 4.608 -0.618 464 HB2 ASP 62 1HB ASP 62 -2.893 5.361 -2.726 465 HB3 ASP 62 2HB ASP 62 -3.874 4.257 -1.766 466 H LYS 63 H LYS 63 -0.924 6.116 -2.490 467 HA LYS 63 HA LYS 63 -0.491 8.815 -1.399 468 HB2 LYS 63 1HB LYS 63 1.436 7.201 -0.989 469 HB3 LYS 63 2HB LYS 63 1.676 7.194 -2.731 470 HG2 LYS 63 1HG LYS 63 2.055 9.607 -2.691 471 HG3 LYS 63 2HG LYS 63 1.817 9.613 -0.942 472 HD2 LYS 63 1HD LYS 63 3.924 7.954 -2.314 473 HD3 LYS 63 2HD LYS 63 4.217 9.592 -1.724 474 HE2 LYS 63 1HE LYS 63 3.218 8.621 0.503 475 HE3 LYS 63 2HE LYS 63 3.705 7.079 -0.200 476 HZ1 LYS 63 3HZ LYS 63 5.478 9.408 0.305 477 HZ2 LYS 63 1HZ LYS 63 5.958 7.963 -0.432 478 HZ3 LYS 63 2HZ LYS 63 5.454 7.961 1.182 479 H THR 64 H THR 64 0.055 10.432 -2.954 480 HA THR 64 HA THR 64 -1.302 10.058 -5.461 481 HB THR 64 HB THR 64 0.086 12.514 -5.525 482 HG1 THR 64 HG1 THR 64 -0.240 13.367 -3.516 483 HG21 THR 64 3HG2 THR 64 -2.032 12.565 -6.413 484 HG22 THR 64 1HG2 THR 64 -2.337 13.303 -4.841 485 HG23 THR 64 2HG2 THR 64 -2.721 11.602 -5.107 486 H VAL 65 H VAL 65 -0.241 8.807 -6.900 487 HA VAL 65 HA VAL 65 2.608 8.914 -7.240 488 HB VAL 65 HB VAL 65 1.258 6.846 -7.616 489 HG11 VAL 65 1HG1 VAL 65 0.541 7.760 -10.340 490 HG12 VAL 65 2HG1 VAL 65 -0.280 6.620 -9.271 491 HG13 VAL 65 3HG1 VAL 65 -0.447 8.356 -9.006 492 HG21 VAL 65 3HG2 VAL 65 3.026 6.156 -8.771 493 HG22 VAL 65 1HG2 VAL 65 2.436 6.976 -10.218 494 HG23 VAL 65 2HG2 VAL 65 3.460 7.839 -9.070 495 H GLY 66 H GLY 66 -0.014 10.718 -8.428 496 HA2 GLY 66 1HA GLY 66 1.544 12.532 -9.853 497 HA3 GLY 66 2HA GLY 66 0.938 11.363 -11.017 498 H PHE 67 H PHE 67 0.327 14.130 -11.022 499 HA PHE 67 HA PHE 67 -2.579 13.981 -10.600 500 HB2 PHE 67 1HB PHE 67 -2.611 16.312 -9.866 501 HB3 PHE 67 2HB PHE 67 -1.587 15.348 -8.807 502 HD1 PHE 67 HD1 PHE 67 0.871 15.540 -8.954 503 HD2 PHE 67 HD2 PHE 67 -1.728 18.101 -11.146 504 HE1 PHE 67 HE1 PHE 67 2.731 17.109 -9.320 505 HE2 PHE 67 HE2 PHE 67 0.127 19.673 -11.516 506 HZ PHE 67 HZ PHE 67 2.361 19.178 -10.604 507 H VAL 68 H VAL 68 -3.853 15.049 -12.111 508 HA VAL 68 HA VAL 68 -2.445 16.231 -14.409 509 HB VAL 68 HB VAL 68 -4.758 14.293 -14.582 510 HG11 VAL 68 1HG1 VAL 68 -4.969 15.943 -16.304 511 HG12 VAL 68 2HG1 VAL 68 -3.257 15.809 -16.711 512 HG13 VAL 68 3HG1 VAL 68 -4.349 14.463 -17.036 513 HG21 VAL 68 3HG2 VAL 68 -3.231 12.740 -15.553 514 HG22 VAL 68 1HG2 VAL 68 -1.940 13.941 -15.585 515 HG23 VAL 68 2HG2 VAL 68 -2.515 13.307 -14.044 516 H VAL 69 H VAL 69 -3.141 18.216 -14.812 517 HA VAL 69 HA VAL 69 -5.727 19.070 -13.740 518 HB VAL 69 HB VAL 69 -3.459 20.716 -14.869 519 HG11 VAL 69 1HG1 VAL 69 -6.111 21.473 -13.676 520 HG12 VAL 69 2HG1 VAL 69 -4.745 22.589 -13.721 521 HG13 VAL 69 3HG1 VAL 69 -5.422 21.962 -15.224 522 HG21 VAL 69 3HG2 VAL 69 -4.221 19.885 -12.103 523 HG22 VAL 69 1HG2 VAL 69 -2.628 19.959 -12.856 524 HG23 VAL 69 2HG2 VAL 69 -3.439 21.445 -12.361 525 H VAL 70 H VAL 70 -7.419 19.005 -15.052 526 HA VAL 70 HA VAL 70 -7.026 19.686 -17.892 527 HB VAL 70 HB VAL 70 -8.902 17.590 -16.787 528 HG11 VAL 70 1HG1 VAL 70 -8.762 17.384 -19.565 529 HG12 VAL 70 2HG1 VAL 70 -10.129 17.956 -18.606 530 HG13 VAL 70 3HG1 VAL 70 -8.950 19.106 -19.239 531 HG21 VAL 70 3HG2 VAL 70 -7.396 16.274 -18.558 532 HG22 VAL 70 1HG2 VAL 70 -6.228 17.495 -18.053 533 HG23 VAL 70 2HG2 VAL 70 -6.956 16.422 -16.857 534 H ASN 71 H ASN 71 -8.014 21.538 -18.321 535 HA ASN 71 HA ASN 71 -10.657 22.033 -17.126 536 HB2 ASN 71 1HB ASN 71 -8.364 23.982 -17.403 537 HB3 ASN 71 2HB ASN 71 -10.021 24.482 -17.079 538 HD21 ASN 71 1HD2 ASN 71 -8.276 25.258 -15.290 539 HD22 ASN 71 2HD2 ASN 71 -8.363 24.317 -13.843 540 H ALA 72 H ALA 72 -12.141 22.177 -18.661 541 HA ALA 72 HA ALA 72 -11.460 22.508 -21.417 542 HB1 ALA 72 3HB ALA 72 -13.412 21.172 -20.373 543 HB2 ALA 72 1HB ALA 72 -14.256 22.721 -20.371 544 HB3 ALA 72 2HB ALA 72 -13.679 22.032 -21.889 545 H ASP 73 H ASP 73 -13.407 24.469 -19.160 546 HA ASP 73 HA ASP 73 -13.851 26.630 -20.861 547 HB2 ASP 73 1HB ASP 73 -14.746 26.047 -18.434 548 HB3 ASP 73 2HB ASP 73 -13.452 27.138 -17.947 549 H LYS 74 H LYS 74 -11.296 26.207 -18.418 550 HA LYS 74 HA LYS 74 -9.960 28.630 -19.145 551 HB2 LYS 74 1HB LYS 74 -9.192 26.285 -17.413 552 HB3 LYS 74 2HB LYS 74 -8.103 27.636 -17.701 553 HG2 LYS 74 1HG LYS 74 -10.872 28.034 -16.620 554 HG3 LYS 74 2HG LYS 74 -9.494 27.682 -15.574 555 HD2 LYS 74 1HD LYS 74 -8.428 29.689 -16.105 556 HD3 LYS 74 2HD LYS 74 -9.386 29.918 -17.570 557 HE2 LYS 74 1HE LYS 74 -11.394 30.069 -15.951 558 HE3 LYS 74 2HE LYS 74 -10.173 30.344 -14.710 559 HZ1 LYS 74 3HZ LYS 74 -11.230 32.336 -15.972 560 HZ2 LYS 74 1HZ LYS 74 -10.099 31.949 -17.169 561 HZ3 LYS 74 2HZ LYS 74 -9.577 32.348 -15.610 562 H LYS 75 H LYS 75 -9.952 25.414 -20.328 563 HA LYS 75 HA LYS 75 -8.813 24.375 -22.000 564 HB2 LYS 75 1HB LYS 75 -7.834 27.149 -22.697 565 HB3 LYS 75 2HB LYS 75 -7.841 25.745 -23.756 566 HG2 LYS 75 1HG LYS 75 -10.379 26.816 -22.580 567 HG3 LYS 75 2HG LYS 75 -9.681 27.500 -24.050 568 HD2 LYS 75 1HD LYS 75 -9.762 25.308 -25.119 569 HD3 LYS 75 2HD LYS 75 -10.424 24.602 -23.643 570 HE2 LYS 75 1HE LYS 75 -12.467 25.677 -23.897 571 HE3 LYS 75 2HE LYS 75 -11.799 26.904 -24.972 572 HZ1 LYS 75 3HZ LYS 75 -11.397 24.912 -26.533 573 HZ2 LYS 75 1HZ LYS 75 -12.961 25.544 -26.403 574 HZ3 LYS 75 2HZ LYS 75 -12.553 24.123 -25.581 575 H LEU 76 H LEU 76 -7.586 23.841 -19.822 576 HA LEU 76 HA LEU 76 -4.733 24.264 -20.391 577 HB2 LEU 76 1HB LEU 76 -5.765 24.062 -17.586 578 HB3 LEU 76 2HB LEU 76 -4.202 24.650 -18.149 579 HG LEU 76 HG LEU 76 -6.814 26.096 -18.575 580 HD11 LEU 76 1HD1 LEU 76 -6.132 27.575 -16.790 581 HD12 LEU 76 2HD1 LEU 76 -4.664 26.634 -16.532 582 HD13 LEU 76 3HD1 LEU 76 -6.239 25.921 -16.187 583 HD21 LEU 76 3HD2 LEU 76 -4.704 26.417 -20.088 584 HD22 LEU 76 1HD2 LEU 76 -4.103 27.331 -18.705 585 HD23 LEU 76 2HD2 LEU 76 -5.602 27.816 -19.498 586 H MET 77 H MET 77 -3.599 22.438 -20.522 587 HA MET 77 HA MET 77 -4.654 20.026 -19.210 588 HB2 MET 77 1HB MET 77 -3.719 20.345 -22.053 589 HB3 MET 77 2HB MET 77 -3.720 18.777 -21.255 590 HG2 MET 77 1HG MET 77 -5.751 18.693 -22.258 591 HG3 MET 77 2HG MET 77 -6.214 19.432 -20.727 592 HE1 MET 77 3HE MET 77 -8.637 21.533 -22.722 593 HE2 MET 77 1HE MET 77 -8.400 19.832 -22.316 594 HE3 MET 77 2HE MET 77 -8.211 21.070 -21.074 595 H SER 78 H SER 78 -3.224 19.310 -17.787 596 HA SER 78 HA SER 78 -0.388 19.266 -18.505 597 HB2 SER 78 1HB SER 78 -1.357 20.300 -15.832 598 HB3 SER 78 2HB SER 78 0.312 20.215 -16.394 599 HG SER 78 HG SER 78 0.027 21.984 -17.510 600 H VAL 79 H VAL 79 0.498 17.357 -18.070 601 HA VAL 79 HA VAL 79 -0.819 15.625 -16.078 602 HB VAL 79 HB VAL 79 -0.018 13.688 -17.436 603 HG11 VAL 79 1HG1 VAL 79 -2.253 13.978 -17.775 604 HG12 VAL 79 2HG1 VAL 79 -2.065 15.635 -18.351 605 HG13 VAL 79 3HG1 VAL 79 -1.678 14.282 -19.414 606 HG21 VAL 79 3HG2 VAL 79 1.751 14.607 -18.708 607 HG22 VAL 79 1HG2 VAL 79 0.475 14.219 -19.863 608 HG23 VAL 79 2HG2 VAL 79 0.724 15.888 -19.350 609 H SER 80 H SER 80 0.416 15.125 -14.402 610 HA SER 80 HA SER 80 3.312 14.852 -14.786 611 HB2 SER 80 1HB SER 80 2.808 17.122 -13.862 612 HB3 SER 80 2HB SER 80 2.074 16.342 -12.460 613 HG SER 80 HG SER 80 4.613 16.918 -12.824 614 H PHE 81 H PHE 81 3.323 12.660 -14.555 615 HA PHE 81 HA PHE 81 2.716 11.655 -11.875 616 HB2 PHE 81 1HB PHE 81 1.625 9.651 -12.791 617 HB3 PHE 81 2HB PHE 81 0.747 11.114 -13.226 618 HD1 PHE 81 HD2 PHE 81 1.151 12.090 -15.546 619 HD2 PHE 81 HD1 PHE 81 2.321 8.154 -14.426 620 HE1 PHE 81 HE2 PHE 81 1.263 11.451 -17.919 621 HE2 PHE 81 HE1 PHE 81 2.436 7.509 -16.797 622 HZ PHE 81 HZ PHE 81 1.905 9.159 -18.548 623 H SER 82 H SER 82 3.871 9.754 -11.296 624 HA SER 82 HA SER 82 6.153 9.149 -13.061 625 HB2 SER 82 1HB SER 82 6.628 10.532 -10.933 626 HB3 SER 82 2HB SER 82 6.325 9.032 -10.056 627 HG SER 82 HG SER 82 8.467 9.760 -11.637 628 H ASP 83 H ASP 83 7.301 7.070 -11.899 629 HA ASP 83 HA ASP 83 7.201 4.815 -11.615 630 HB2 ASP 83 1HB ASP 83 4.397 5.174 -10.566 631 HB3 ASP 83 2HB ASP 83 5.562 3.918 -10.154 632 H ILE 84 H ILE 84 6.963 5.252 -14.108 633 HA ILE 84 HA ILE 84 4.846 3.455 -15.014 634 HB ILE 84 HB ILE 84 4.431 4.951 -17.001 635 HG12 ILE 84 1HG1 ILE 84 5.424 7.217 -15.310 636 HG13 ILE 84 2HG1 ILE 84 6.556 6.343 -16.336 637 HG21 ILE 84 1HG2 ILE 84 3.210 4.840 -14.565 638 HG22 ILE 84 2HG2 ILE 84 3.500 6.569 -14.748 639 HG23 ILE 84 3HG2 ILE 84 2.583 5.694 -15.975 640 HD11 ILE 84 3HD1 ILE 84 5.917 7.536 -18.077 641 HD12 ILE 84 1HD1 ILE 84 4.254 6.985 -17.873 642 HD13 ILE 84 2HD1 ILE 84 4.811 8.437 -17.041 643 H ASP 85 H ASP 85 5.189 3.126 -17.525 644 HA ASP 85 HA ASP 85 7.972 2.307 -17.813 645 HB2 ASP 85 1HB ASP 85 5.802 1.724 -19.808 646 HB3 ASP 85 2HB ASP 85 7.247 0.786 -19.440 647 H GLU 86 H GLU 86 9.052 2.593 -19.921 648 HA GLU 86 HA GLU 86 8.942 5.340 -20.719 649 HB2 GLU 86 1HB GLU 86 10.784 4.735 -22.246 650 HB3 GLU 86 2HB GLU 86 11.080 4.197 -20.598 651 HG2 GLU 86 1HG GLU 86 10.324 1.935 -21.243 652 HG3 GLU 86 2HG GLU 86 10.160 2.499 -22.905 653 H ASN 87 H ASN 87 8.068 2.255 -22.205 654 HA ASN 87 HA ASN 87 7.416 3.284 -24.752 655 HB2 ASN 87 1HB ASN 87 6.643 0.772 -23.281 656 HB3 ASN 87 2HB ASN 87 6.010 1.131 -24.885 657 HD21 ASN 87 1HD2 ASN 87 7.650 1.598 -26.565 658 HD22 ASN 87 2HD2 ASN 87 9.117 0.687 -26.532 659 H MET 88 H MET 88 5.712 3.201 -21.735 660 HA MET 88 HA MET 88 3.091 3.576 -22.780 661 HB2 MET 88 1HB MET 88 4.044 2.926 -20.342 662 HB3 MET 88 2HB MET 88 3.721 4.636 -20.087 663 HG2 MET 88 1HG MET 88 1.725 3.747 -19.456 664 HG3 MET 88 2HG MET 88 1.410 4.037 -21.165 665 HE1 MET 88 3HE MET 88 1.733 0.954 -22.939 666 HE2 MET 88 1HE MET 88 0.094 1.436 -22.501 667 HE3 MET 88 2HE MET 88 1.311 2.664 -22.848 668 H LYS 89 H LYS 89 5.752 5.690 -22.063 669 HA LYS 89 HA LYS 89 4.388 8.128 -21.829 670 HB2 LYS 89 1HB LYS 89 7.165 7.459 -22.797 671 HB3 LYS 89 2HB LYS 89 6.591 9.114 -22.645 672 HG2 LYS 89 1HG LYS 89 6.344 7.310 -20.296 673 HG3 LYS 89 2HG LYS 89 7.936 7.947 -20.715 674 HD2 LYS 89 1HD LYS 89 5.637 9.835 -20.600 675 HD3 LYS 89 2HD LYS 89 6.318 9.246 -19.082 676 HE2 LYS 89 1HE LYS 89 7.566 11.150 -19.447 677 HE3 LYS 89 2HE LYS 89 8.592 9.909 -20.162 678 HZ1 LYS 89 3HZ LYS 89 6.698 11.012 -22.014 679 HZ2 LYS 89 1HZ LYS 89 8.368 10.798 -22.177 680 HZ3 LYS 89 2HZ LYS 89 7.763 12.173 -21.399 681 H LYS 90 H LYS 90 5.115 6.163 -24.583 682 HA LYS 90 HA LYS 90 4.918 8.129 -26.600 683 HB2 LYS 90 1HB LYS 90 4.702 5.151 -26.513 684 HB3 LYS 90 2HB LYS 90 4.168 5.990 -27.963 685 HG2 LYS 90 1HG LYS 90 6.363 5.484 -28.452 686 HG3 LYS 90 2HG LYS 90 6.479 7.144 -27.862 687 HD2 LYS 90 1HD LYS 90 7.286 6.430 -25.749 688 HD3 LYS 90 2HD LYS 90 6.874 4.746 -26.084 689 HE2 LYS 90 1HE LYS 90 8.526 4.983 -28.058 690 HE3 LYS 90 2HE LYS 90 9.111 6.403 -27.193 691 HZ1 LYS 90 3HZ LYS 90 9.432 4.929 -25.234 692 HZ2 LYS 90 1HZ LYS 90 10.431 4.555 -26.548 693 HZ3 LYS 90 2HZ LYS 90 9.073 3.601 -26.220 694 H VAL 91 H VAL 91 2.510 5.752 -25.466 695 HA VAL 91 HA VAL 91 0.378 6.847 -26.978 696 HB VAL 91 HB VAL 91 0.278 4.550 -26.212 697 HG11 VAL 91 1HG1 VAL 91 0.124 5.689 -23.423 698 HG12 VAL 91 2HG1 VAL 91 -0.035 3.986 -23.858 699 HG13 VAL 91 3HG1 VAL 91 1.498 4.823 -24.110 700 HG21 VAL 91 3HG2 VAL 91 -1.865 6.209 -24.886 701 HG22 VAL 91 1HG2 VAL 91 -1.829 5.753 -26.590 702 HG23 VAL 91 2HG2 VAL 91 -1.995 4.512 -25.348 703 H ILE 92 H ILE 92 1.555 7.388 -23.709 704 HA ILE 92 HA ILE 92 -0.650 8.920 -22.804 705 HB ILE 92 HB ILE 92 2.216 8.947 -21.853 706 HG12 ILE 92 1HG1 ILE 92 -0.067 7.614 -20.440 707 HG13 ILE 92 2HG1 ILE 92 0.724 6.790 -21.780 708 HG21 ILE 92 1HG2 ILE 92 0.411 9.622 -19.791 709 HG22 ILE 92 2HG2 ILE 92 1.652 10.634 -20.530 710 HG23 ILE 92 3HG2 ILE 92 0.014 10.629 -21.183 711 HD11 ILE 92 3HD1 ILE 92 1.517 6.913 -19.079 712 HD12 ILE 92 1HD1 ILE 92 2.329 6.114 -20.426 713 HD13 ILE 92 2HD1 ILE 92 2.724 7.786 -20.024 714 H LYS 93 H LYS 93 2.517 9.838 -24.130 715 HA LYS 93 HA LYS 93 2.112 12.625 -23.985 716 HB2 LYS 93 1HB LYS 93 4.327 11.546 -24.268 717 HB3 LYS 93 2HB LYS 93 3.872 11.086 -25.903 718 HG2 LYS 93 1HG LYS 93 3.636 13.473 -26.476 719 HG3 LYS 93 2HG LYS 93 4.190 13.890 -24.853 720 HD2 LYS 93 1HD LYS 93 5.863 12.068 -26.516 721 HD3 LYS 93 2HD LYS 93 5.865 13.795 -26.884 722 HE2 LYS 93 1HE LYS 93 6.262 12.859 -24.072 723 HE3 LYS 93 2HE LYS 93 7.606 12.818 -25.211 724 HZ1 LYS 93 3HZ LYS 93 7.840 14.892 -24.306 725 HZ2 LYS 93 1HZ LYS 93 6.177 15.132 -24.107 726 HZ3 LYS 93 2HZ LYS 93 6.872 15.263 -25.643 727 H ALA 94 H ALA 94 1.557 10.278 -26.580 728 HA ALA 94 HA ALA 94 0.804 12.100 -28.576 729 HB1 ALA 94 3HB ALA 94 1.070 10.116 -29.589 730 HB2 ALA 94 1HB ALA 94 0.605 9.206 -28.151 731 HB3 ALA 94 2HB ALA 94 -0.635 9.883 -29.207 732 H THR 95 H THR 95 -1.201 10.241 -26.295 733 HA THR 95 HA THR 95 -3.676 11.275 -27.143 734 HB THR 95 HB THR 95 -2.912 10.193 -24.424 735 HG1 THR 95 HG1 THR 95 -3.964 8.982 -26.775 736 HG21 THR 95 3HG2 THR 95 -5.638 10.534 -25.678 737 HG22 THR 95 1HG2 THR 95 -4.986 11.515 -24.366 738 HG23 THR 95 2HG2 THR 95 -5.299 9.797 -24.112 739 H ALA 96 H ALA 96 -1.350 12.385 -24.740 740 HA ALA 96 HA ALA 96 -3.022 14.433 -23.666 741 HB1 ALA 96 3HB ALA 96 -1.313 13.673 -22.246 742 HB2 ALA 96 1HB ALA 96 -0.077 13.870 -23.489 743 HB3 ALA 96 2HB ALA 96 -0.810 15.289 -22.740 744 H GLU 97 H GLU 97 -0.737 14.239 -26.307 745 HA GLU 97 HA GLU 97 -0.522 17.065 -26.701 746 HB2 GLU 97 1HB GLU 97 1.081 15.152 -27.462 747 HB3 GLU 97 2HB GLU 97 0.013 15.048 -28.854 748 HG2 GLU 97 1HG GLU 97 0.444 17.669 -28.888 749 HG3 GLU 97 2HG GLU 97 1.929 17.166 -28.083 750 H LYS 98 H LYS 98 -2.520 14.489 -28.022 751 HA LYS 98 HA LYS 98 -3.652 15.780 -30.195 752 HB2 LYS 98 1HB LYS 98 -4.840 13.770 -28.281 753 HB3 LYS 98 2HB LYS 98 -5.655 14.298 -29.747 754 HG2 LYS 98 1HG LYS 98 -2.879 13.276 -29.990 755 HG3 LYS 98 2HG LYS 98 -4.175 12.117 -29.681 756 HD2 LYS 98 1HD LYS 98 -5.389 12.993 -31.641 757 HD3 LYS 98 2HD LYS 98 -4.044 14.091 -31.962 758 HE2 LYS 98 1HE LYS 98 -3.477 12.371 -33.352 759 HE3 LYS 98 2HE LYS 98 -2.656 11.846 -31.884 760 HZ1 LYS 98 3HZ LYS 98 -4.670 10.524 -33.324 761 HZ2 LYS 98 1HZ LYS 98 -5.268 10.881 -31.782 762 HZ3 LYS 98 2HZ LYS 98 -3.838 9.994 -31.950 763 H PHE 99 H PHE 99 -4.233 16.229 -26.795 764 HA PHE 99 HA PHE 99 -6.729 17.469 -26.852 765 HB2 PHE 99 1HB PHE 99 -4.397 17.508 -25.005 766 HB3 PHE 99 2HB PHE 99 -5.606 18.772 -24.805 767 HD1 PHE 99 HD2 PHE 99 -4.959 15.171 -24.624 768 HD2 PHE 99 HD1 PHE 99 -7.810 18.270 -24.002 769 HE1 PHE 99 HE2 PHE 99 -6.370 13.613 -23.345 770 HE2 PHE 99 HE1 PHE 99 -9.225 16.717 -22.721 771 HZ PHE 99 HZ PHE 99 -8.506 14.384 -22.392 772 H LYS 100 H LYS 100 -3.647 18.599 -27.898 773 HA LYS 100 HA LYS 100 -3.837 21.338 -27.683 774 HB2 LYS 100 1HB LYS 100 -2.675 19.644 -29.894 775 HB3 LYS 100 2HB LYS 100 -2.485 21.391 -29.829 776 HG2 LYS 100 1HG LYS 100 -1.724 19.843 -27.420 777 HG3 LYS 100 2HG LYS 100 -0.679 19.727 -28.837 778 HD2 LYS 100 1HD LYS 100 -1.583 22.383 -27.767 779 HD3 LYS 100 2HD LYS 100 -0.170 21.556 -27.107 780 HE2 LYS 100 1HE LYS 100 -0.347 21.841 -30.056 781 HE3 LYS 100 2HE LYS 100 -0.002 23.292 -29.117 782 HZ1 LYS 100 3HZ LYS 100 2.092 22.492 -29.471 783 HZ2 LYS 100 1HZ LYS 100 1.615 20.869 -29.454 784 HZ3 LYS 100 2HZ LYS 100 1.744 21.727 -28.003 785 H ASN 101 H ASN 101 -5.525 19.193 -29.861 786 HA ASN 101 HA ASN 101 -6.390 20.939 -31.821 787 HB2 ASN 101 1HB ASN 101 -7.591 18.485 -30.586 788 HB3 ASN 101 2HB ASN 101 -8.521 19.413 -31.759 789 HD21 ASN 101 1HD2 ASN 101 -6.014 17.164 -31.272 790 HD22 ASN 101 2HD2 ASN 101 -5.555 16.964 -32.925 791 H LYS 102 H LYS 102 -7.655 20.438 -28.570 792 HA LYS 102 HA LYS 102 -9.322 22.838 -28.930 793 HB2 LYS 102 1HB LYS 102 -10.032 20.379 -27.319 794 HB3 LYS 102 2HB LYS 102 -10.996 21.847 -27.427 795 HG2 LYS 102 1HG LYS 102 -10.313 20.554 -29.987 796 HG3 LYS 102 2HG LYS 102 -11.423 19.674 -28.934 797 HD2 LYS 102 1HD LYS 102 -12.972 20.944 -29.983 798 HD3 LYS 102 2HD LYS 102 -12.491 22.139 -28.777 799 HE2 LYS 102 1HE LYS 102 -12.299 23.401 -30.670 800 HE3 LYS 102 2HE LYS 102 -10.672 22.727 -30.598 801 HZ1 LYS 102 3HZ LYS 102 -12.732 22.318 -32.551 802 HZ2 LYS 102 1HZ LYS 102 -12.069 20.865 -31.992 803 HZ3 LYS 102 2HZ LYS 102 -11.066 22.048 -32.667 804 H GLY 103 H GLY 103 -6.590 22.414 -27.824 805 HA2 GLY 103 1HA GLY 103 -6.810 24.134 -25.588 806 HA3 GLY 103 2HA GLY 103 -6.535 22.488 -25.039 807 H PHE 104 H PHE 104 -5.217 25.083 -27.037 808 HA PHE 104 HA PHE 104 -2.799 23.982 -27.772 809 HB2 PHE 104 1HB PHE 104 -3.690 26.777 -27.188 810 HB3 PHE 104 2HB PHE 104 -1.980 26.470 -27.472 811 HD1 PHE 104 HD2 PHE 104 -5.102 25.148 -29.031 812 HD2 PHE 104 HD1 PHE 104 -1.394 27.167 -29.574 813 HE1 PHE 104 HE2 PHE 104 -5.497 25.214 -31.459 814 HE2 PHE 104 HE1 PHE 104 -1.784 27.237 -32.003 815 HZ PHE 104 HZ PHE 104 -3.837 26.259 -32.948 816 H LYS 105 H LYS 105 -3.811 25.178 -24.658 817 HA LYS 105 HA LYS 105 -1.189 25.271 -23.512 818 HB2 LYS 105 1HB LYS 105 -3.287 26.530 -22.735 819 HB3 LYS 105 2HB LYS 105 -3.765 25.020 -21.971 820 HG2 LYS 105 1HG LYS 105 -2.718 26.347 -20.313 821 HG3 LYS 105 2HG LYS 105 -1.589 25.057 -20.735 822 HD2 LYS 105 1HD LYS 105 -0.443 26.647 -22.269 823 HD3 LYS 105 2HD LYS 105 -1.507 27.924 -21.673 824 HE2 LYS 105 1HE LYS 105 -0.508 27.979 -19.606 825 HE3 LYS 105 2HE LYS 105 0.030 26.303 -19.703 826 HZ1 LYS 105 3HZ LYS 105 1.518 27.224 -21.598 827 HZ2 LYS 105 1HZ LYS 105 1.982 27.444 -19.986 828 HZ3 LYS 105 2HZ LYS 105 1.264 28.715 -20.841 829 H VAL 106 H VAL 106 -0.328 23.211 -24.037 830 HA VAL 106 HA VAL 106 -1.387 21.028 -22.361 831 HB VAL 106 HB VAL 106 -0.013 20.768 -25.040 832 HG11 VAL 106 1HG1 VAL 106 -0.879 18.754 -22.997 833 HG12 VAL 106 2HG1 VAL 106 -0.769 18.331 -24.707 834 HG13 VAL 106 3HG1 VAL 106 0.663 18.889 -23.841 835 HG21 VAL 106 3HG2 VAL 106 -2.832 20.860 -24.202 836 HG22 VAL 106 1HG2 VAL 106 -2.097 21.223 -25.764 837 HG23 VAL 106 2HG2 VAL 106 -2.415 19.550 -25.307 838 H GLU 107 H GLU 107 0.039 19.902 -21.119 839 HA GLU 107 HA GLU 107 2.901 20.336 -21.454 840 HB2 GLU 107 1HB GLU 107 1.315 21.196 -19.053 841 HB3 GLU 107 2HB GLU 107 3.006 20.743 -18.896 842 HG2 GLU 107 1HG GLU 107 1.993 22.879 -20.756 843 HG3 GLU 107 2HG GLU 107 2.616 23.181 -19.135 844 H THR 108 H THR 108 4.091 18.593 -20.914 845 HA THR 108 HA THR 108 2.821 16.465 -19.333 846 HB THR 108 HB THR 108 3.771 14.763 -20.863 847 HG1 THR 108 HG1 THR 108 5.299 15.592 -22.105 848 HG21 THR 108 3HG2 THR 108 1.708 14.771 -21.703 849 HG22 THR 108 1HG2 THR 108 2.231 15.958 -22.897 850 HG23 THR 108 2HG2 THR 108 1.541 16.493 -21.365 851 H ASP 109 H ASP 109 4.063 15.945 -17.668 852 HA ASP 109 HA ASP 109 6.729 16.879 -17.388 853 HB2 ASP 109 1HB ASP 109 5.222 16.540 -15.466 854 HB3 ASP 109 2HB ASP 109 5.250 14.803 -15.757 855 H MET 110 H MET 110 8.661 15.863 -17.629 856 HA MET 110 HA MET 110 8.832 13.682 -19.414 857 HB2 MET 110 1HB MET 110 10.585 15.386 -19.242 858 HB3 MET 110 2HB MET 110 10.950 14.859 -17.604 859 HG2 MET 110 1HG MET 110 11.846 12.821 -18.341 860 HG3 MET 110 2HG MET 110 11.150 13.004 -19.949 861 HE1 MET 110 3HE MET 110 13.304 13.046 -21.708 862 HE2 MET 110 1HE MET 110 14.853 13.156 -20.871 863 HE3 MET 110 2HE MET 110 13.612 12.047 -20.287 Start of MODEL 19 1 H MET 1 H MET 1 1.144 1.558 1.028 2 HA MET 1 HA MET 1 2.226 1.234 -0.947 3 HB2 MET 1 1HB MET 1 2.238 -1.107 -1.891 4 HB3 MET 1 2HB MET 1 2.824 -0.957 -0.240 5 HG2 MET 1 1HG MET 1 0.777 -1.819 0.638 6 HG3 MET 1 2HG MET 1 0.026 -1.786 -0.956 7 HE1 MET 1 3HE MET 1 0.356 -4.641 -2.528 8 HE2 MET 1 1HE MET 1 0.615 -2.920 -2.809 9 HE3 MET 1 2HE MET 1 1.944 -4.058 -3.026 10 H THR 2 H THR 2 -0.428 2.282 -0.918 11 HA THR 2 HA THR 2 -1.685 1.169 -3.312 12 HB THR 2 HB THR 2 -2.797 3.527 -1.841 13 HG1 THR 2 HG1 THR 2 -2.986 2.373 -0.087 14 HG21 THR 2 3HG2 THR 2 -4.831 2.840 -2.703 15 HG22 THR 2 1HG2 THR 2 -4.320 1.159 -2.852 16 HG23 THR 2 2HG2 THR 2 -3.724 2.367 -3.991 17 H LEU 3 H LEU 3 -2.040 2.354 -5.184 18 HA LEU 3 HA LEU 3 -0.520 4.869 -5.403 19 HB2 LEU 3 1HB LEU 3 -0.810 2.611 -7.369 20 HB3 LEU 3 2HB LEU 3 -0.221 4.208 -7.827 21 HG LEU 3 HG LEU 3 1.092 2.300 -5.892 22 HD11 LEU 3 1HD1 LEU 3 2.744 1.970 -7.538 23 HD12 LEU 3 2HD1 LEU 3 2.127 3.288 -8.535 24 HD13 LEU 3 3HD1 LEU 3 1.199 1.797 -8.372 25 HD21 LEU 3 3HD2 LEU 3 1.310 5.142 -6.158 26 HD22 LEU 3 1HD2 LEU 3 2.825 4.382 -6.646 27 HD23 LEU 3 2HD2 LEU 3 2.151 4.058 -5.049 28 H CYS 4 H CYS 4 -1.973 6.460 -5.471 29 HA CYS 4 HA CYS 4 -4.246 6.169 -7.321 30 HB2 CYS 4 1HB CYS 4 -4.290 7.800 -4.780 31 HB3 CYS 4 2HB CYS 4 -5.647 7.429 -5.836 32 HG CYS 4 HG CYS 4 -5.575 6.027 -3.259 33 H ALA 5 H ALA 5 -4.979 8.120 -8.337 34 HA ALA 5 HA ALA 5 -3.026 10.320 -8.313 35 HB1 ALA 5 3HB ALA 5 -2.564 10.168 -10.498 36 HB2 ALA 5 1HB ALA 5 -3.180 8.521 -10.361 37 HB3 ALA 5 2HB ALA 5 -4.238 9.814 -10.925 38 H MET 6 H MET 6 -3.849 12.374 -8.668 39 HA MET 6 HA MET 6 -6.748 12.596 -8.345 40 HB2 MET 6 1HB MET 6 -4.588 14.688 -8.030 41 HB3 MET 6 2HB MET 6 -6.295 14.918 -7.676 42 HG2 MET 6 1HG MET 6 -4.946 12.675 -6.309 43 HG3 MET 6 2HG MET 6 -4.483 14.304 -5.821 44 HE1 MET 6 3HE MET 6 -6.586 11.455 -5.058 45 HE2 MET 6 1HE MET 6 -5.788 12.275 -3.715 46 HE3 MET 6 2HE MET 6 -7.547 12.155 -3.755 47 H TYR 7 H TYR 7 -7.833 12.719 -10.202 48 HA TYR 7 HA TYR 7 -6.659 14.208 -12.443 49 HB2 TYR 7 1HB TYR 7 -7.640 11.740 -12.530 50 HB3 TYR 7 2HB TYR 7 -9.156 12.605 -12.754 51 HD1 TYR 7 HD2 TYR 7 -9.044 14.522 -14.593 52 HD2 TYR 7 HD1 TYR 7 -6.425 11.175 -14.409 53 HE1 TYR 7 HE2 TYR 7 -8.542 14.791 -16.985 54 HE2 TYR 7 HE1 TYR 7 -5.914 11.435 -16.801 55 HH TYR 7 HH TYR 7 -7.094 12.454 -18.835 56 H ASN 8 H ASN 8 -7.214 16.293 -12.358 57 HA ASN 8 HA ASN 8 -9.881 17.058 -11.452 58 HB2 ASN 8 1HB ASN 8 -7.766 19.002 -12.326 59 HB3 ASN 8 2HB ASN 8 -9.048 19.219 -11.138 60 HD21 ASN 8 1HD2 ASN 8 -5.843 18.932 -11.452 61 HD22 ASN 8 2HD2 ASN 8 -5.437 18.249 -9.918 62 H ILE 9 H ILE 9 -11.436 17.068 -12.931 63 HA ILE 9 HA ILE 9 -10.795 18.078 -15.626 64 HB ILE 9 HB ILE 9 -11.312 15.700 -15.723 65 HG12 ILE 9 1HG1 ILE 9 -13.568 17.419 -16.778 66 HG13 ILE 9 2HG1 ILE 9 -12.030 17.127 -17.585 67 HG21 ILE 9 1HG2 ILE 9 -13.987 16.405 -14.526 68 HG22 ILE 9 2HG2 ILE 9 -13.440 14.805 -15.024 69 HG23 ILE 9 3HG2 ILE 9 -12.670 15.614 -13.660 70 HD11 ILE 9 3HD1 ILE 9 -13.167 14.611 -17.000 71 HD12 ILE 9 1HD1 ILE 9 -14.429 15.616 -17.711 72 HD13 ILE 9 2HD1 ILE 9 -12.911 15.362 -18.574 73 H SER 10 H SER 10 -11.940 19.765 -16.338 74 HA SER 10 HA SER 10 -14.478 20.420 -15.010 75 HB2 SER 10 1HB SER 10 -13.576 22.904 -15.424 76 HB3 SER 10 2HB SER 10 -13.244 22.023 -13.932 77 HG SER 10 HG SER 10 -11.210 22.055 -14.424 78 H MET 11 H MET 11 -15.568 19.633 -16.841 79 HA MET 11 HA MET 11 -15.016 20.774 -19.440 80 HB2 MET 11 1HB MET 11 -15.883 18.376 -18.862 81 HB3 MET 11 2HB MET 11 -17.458 19.155 -18.815 82 HG2 MET 11 1HG MET 11 -17.108 19.951 -21.115 83 HG3 MET 11 2HG MET 11 -15.566 19.099 -21.153 84 HE1 MET 11 3HE MET 11 -19.588 18.082 -22.091 85 HE2 MET 11 1HE MET 11 -19.640 17.420 -20.457 86 HE3 MET 11 2HE MET 11 -19.167 19.100 -20.712 87 H ALA 12 H ALA 12 -16.109 22.378 -20.437 88 HA ALA 12 HA ALA 12 -17.383 24.259 -20.637 89 HB1 ALA 12 3HB ALA 12 -19.038 22.305 -20.887 90 HB2 ALA 12 1HB ALA 12 -19.596 22.763 -19.278 91 HB3 ALA 12 2HB ALA 12 -19.687 23.921 -20.605 92 H GLY 13 H GLY 13 -15.750 24.300 -18.382 93 HA2 GLY 13 1HA GLY 13 -15.459 25.369 -16.370 94 HA3 GLY 13 2HA GLY 13 -16.749 26.426 -16.922 95 H SER 14 H SER 14 -16.855 22.977 -16.096 96 HA SER 14 HA SER 14 -19.075 23.545 -14.284 97 HB2 SER 14 1HB SER 14 -18.023 21.000 -15.520 98 HB3 SER 14 2HB SER 14 -19.253 20.996 -14.257 99 HG SER 14 HG SER 14 -20.665 21.492 -15.717 100 H HIS 15 H HIS 15 -16.528 24.362 -13.406 101 HA HIS 15 HA HIS 15 -15.240 24.331 -11.530 102 HB2 HIS 15 1HB HIS 15 -17.093 22.210 -10.446 103 HB3 HIS 15 2HB HIS 15 -16.109 23.353 -9.536 104 HD1 HIS 15 HD1 HIS 15 -19.305 23.090 -11.462 105 HD2 HIS 15 HD2 HIS 15 -17.210 25.904 -9.236 106 HE1 HIS 15 HE1 HIS 15 -20.917 24.983 -11.083 107 HA PRO 16 HA PRO 16 -12.346 21.078 -12.081 108 HB2 PRO 16 1HB PRO 16 -11.003 21.169 -9.723 109 HB3 PRO 16 2HB PRO 16 -10.829 22.404 -10.976 110 HG2 PRO 16 1HG PRO 16 -12.489 22.453 -8.485 111 HG3 PRO 16 2HG PRO 16 -11.481 23.734 -9.183 112 HD2 PRO 16 1HD PRO 16 -14.171 23.670 -9.484 113 HD3 PRO 16 2HD PRO 16 -13.087 24.331 -10.725 114 H THR 17 H THR 17 -13.582 19.205 -12.171 115 HA THR 17 HA THR 17 -14.645 17.969 -9.810 116 HB THR 17 HB THR 17 -14.325 16.882 -12.614 117 HG1 THR 17 HG1 THR 17 -16.296 18.359 -11.281 118 HG21 THR 17 3HG2 THR 17 -15.257 15.661 -10.108 119 HG22 THR 17 1HG2 THR 17 -14.689 14.903 -11.595 120 HG23 THR 17 2HG2 THR 17 -16.354 15.471 -11.476 121 H THR 18 H THR 18 -13.420 16.970 -8.362 122 HA THR 18 HA THR 18 -10.787 15.996 -9.020 123 HB THR 18 HB THR 18 -11.946 15.273 -6.399 124 HG1 THR 18 HG1 THR 18 -11.425 17.996 -7.070 125 HG21 THR 18 3HG2 THR 18 -9.393 16.535 -7.382 126 HG22 THR 18 1HG2 THR 18 -9.619 14.919 -6.713 127 HG23 THR 18 2HG2 THR 18 -9.766 16.334 -5.670 128 H ILE 19 H ILE 19 -10.660 14.148 -10.136 129 HA ILE 19 HA ILE 19 -12.386 11.905 -9.320 130 HB ILE 19 HB ILE 19 -10.923 12.144 -11.944 131 HG12 ILE 19 1HG1 ILE 19 -13.795 12.860 -11.314 132 HG13 ILE 19 2HG1 ILE 19 -12.520 13.998 -11.736 133 HG21 ILE 19 1HG2 ILE 19 -13.361 10.498 -11.405 134 HG22 ILE 19 2HG2 ILE 19 -12.118 10.286 -12.637 135 HG23 ILE 19 3HG2 ILE 19 -11.763 9.905 -10.953 136 HD11 ILE 19 3HD1 ILE 19 -14.021 13.519 -13.609 137 HD12 ILE 19 1HD1 ILE 19 -12.358 13.041 -13.946 138 HD13 ILE 19 2HD1 ILE 19 -13.559 11.819 -13.531 139 H CYS 20 H CYS 20 -11.236 10.808 -7.826 140 HA CYS 20 HA CYS 20 -8.392 10.421 -8.076 141 HB2 CYS 20 1HB CYS 20 -10.264 9.062 -6.135 142 HB3 CYS 20 2HB CYS 20 -8.526 9.282 -5.971 143 HG CYS 20 HG CYS 20 -9.539 11.007 -4.142 144 H VAL 21 H VAL 21 -7.566 8.982 -9.431 145 HA VAL 21 HA VAL 21 -8.926 6.384 -9.721 146 HB VAL 21 HB VAL 21 -7.447 7.822 -11.927 147 HG11 VAL 21 1HG1 VAL 21 -7.267 5.592 -12.465 148 HG12 VAL 21 2HG1 VAL 21 -8.797 5.170 -11.692 149 HG13 VAL 21 3HG1 VAL 21 -8.793 6.008 -13.245 150 HG21 VAL 21 3HG2 VAL 21 -10.138 7.491 -12.624 151 HG22 VAL 21 1HG2 VAL 21 -10.145 8.129 -10.980 152 HG23 VAL 21 2HG2 VAL 21 -9.303 9.001 -12.261 153 H VAL 22 H VAL 22 -7.666 4.592 -9.623 154 HA VAL 22 HA VAL 22 -5.118 4.757 -8.438 155 HB VAL 22 HB VAL 22 -4.979 2.358 -8.701 156 HG11 VAL 22 1HG1 VAL 22 -7.815 2.329 -8.194 157 HG12 VAL 22 2HG1 VAL 22 -6.472 2.084 -7.076 158 HG13 VAL 22 3HG1 VAL 22 -7.052 3.715 -7.416 159 HG21 VAL 22 3HG2 VAL 22 -5.615 1.806 -10.842 160 HG22 VAL 22 1HG2 VAL 22 -7.031 1.288 -9.927 161 HG23 VAL 22 2HG2 VAL 22 -7.054 2.824 -10.793 162 H MET 23 H MET 23 -3.066 4.511 -9.236 163 HA MET 23 HA MET 23 -2.476 5.462 -11.781 164 HB2 MET 23 1HB MET 23 -0.883 5.455 -9.896 165 HB3 MET 23 2HB MET 23 -0.748 3.706 -10.027 166 HG2 MET 23 1HG MET 23 -0.187 5.281 -12.465 167 HG3 MET 23 2HG MET 23 0.981 5.387 -11.150 168 HE1 MET 23 3HE MET 23 1.716 2.668 -14.273 169 HE2 MET 23 1HE MET 23 0.196 3.559 -14.338 170 HE3 MET 23 2HE MET 23 1.702 4.410 -13.992 171 H ASP 24 H ASP 24 -3.169 2.234 -10.692 172 HA ASP 24 HA ASP 24 -2.072 0.801 -12.860 173 HB2 ASP 24 1HB ASP 24 -4.218 0.203 -10.844 174 HB3 ASP 24 2HB ASP 24 -3.884 -0.920 -12.159 175 H ARG 25 H ARG 25 -4.964 2.667 -12.513 176 HA ARG 25 HA ARG 25 -5.801 1.828 -15.211 177 HB2 ARG 25 1HB ARG 25 -7.501 2.600 -12.839 178 HB3 ARG 25 2HB ARG 25 -8.127 2.493 -14.479 179 HG2 ARG 25 1HG ARG 25 -6.676 0.143 -13.397 180 HG3 ARG 25 2HG ARG 25 -8.293 0.481 -12.776 181 HD2 ARG 25 1HD ARG 25 -9.167 0.483 -15.063 182 HD3 ARG 25 2HD ARG 25 -7.550 0.145 -15.680 183 HE ARG 25 HE ARG 25 -7.818 -2.052 -15.088 184 HH11 ARG 25 1HH1 ARG 25 -10.275 -0.134 -13.536 185 HH12 ARG 25 2HH1 ARG 25 -11.159 -1.505 -12.951 186 HH21 ARG 25 1HH2 ARG 25 -8.974 -3.864 -14.323 187 HH22 ARG 25 2HH2 ARG 25 -10.418 -3.626 -13.398 188 H PHE 26 H PHE 26 -4.135 4.121 -13.944 189 HA PHE 26 HA PHE 26 -5.514 6.533 -14.384 190 HB2 PHE 26 1HB PHE 26 -3.524 6.635 -13.096 191 HB3 PHE 26 2HB PHE 26 -2.580 5.841 -14.352 192 HD1 PHE 26 HD1 PHE 26 -4.908 8.751 -14.437 193 HD2 PHE 26 HD2 PHE 26 -0.962 7.296 -15.089 194 HE1 PHE 26 HE1 PHE 26 -4.248 10.949 -15.323 195 HE2 PHE 26 HE2 PHE 26 -0.295 9.492 -15.975 196 HZ PHE 26 HZ PHE 26 -1.938 11.322 -16.093 197 H LEU 27 H LEU 27 -3.112 4.896 -16.451 198 HA LEU 27 HA LEU 27 -3.306 6.588 -18.647 199 HB2 LEU 27 1HB LEU 27 -1.555 4.915 -18.391 200 HB3 LEU 27 2HB LEU 27 -2.741 3.627 -18.595 201 HG LEU 27 HG LEU 27 -2.983 4.062 -20.888 202 HD11 LEU 27 1HD1 LEU 27 -3.219 6.260 -21.333 203 HD12 LEU 27 2HD1 LEU 27 -1.507 6.139 -21.735 204 HD13 LEU 27 3HD1 LEU 27 -2.000 6.744 -20.154 205 HD21 LEU 27 3HD2 LEU 27 -0.775 3.063 -20.110 206 HD22 LEU 27 1HD2 LEU 27 -0.068 4.642 -20.454 207 HD23 LEU 27 2HD2 LEU 27 -0.825 3.715 -21.749 208 H GLU 28 H GLU 28 -5.180 3.687 -17.860 209 HA GLU 28 HA GLU 28 -6.654 3.521 -20.233 210 HB2 GLU 28 1HB GLU 28 -6.498 1.856 -18.267 211 HB3 GLU 28 2HB GLU 28 -7.795 2.799 -17.546 212 HG2 GLU 28 1HG GLU 28 -8.915 1.083 -18.613 213 HG3 GLU 28 2HG GLU 28 -9.031 2.413 -19.763 214 H SER 29 H SER 29 -7.417 5.169 -17.178 215 HA SER 29 HA SER 29 -9.934 6.142 -17.887 216 HB2 SER 29 1HB SER 29 -9.788 7.540 -16.002 217 HB3 SER 29 2HB SER 29 -8.740 6.181 -15.595 218 HG SER 29 HG SER 29 -7.643 8.066 -15.135 219 H PHE 30 H PHE 30 -6.725 7.588 -18.311 220 HA PHE 30 HA PHE 30 -7.582 10.042 -19.376 221 HB2 PHE 30 1HB PHE 30 -5.246 9.392 -18.550 222 HB3 PHE 30 2HB PHE 30 -5.008 8.672 -20.139 223 HD1 PHE 30 HD2 PHE 30 -5.653 10.297 -22.147 224 HD2 PHE 30 HD1 PHE 30 -4.528 11.542 -18.235 225 HE1 PHE 30 HE2 PHE 30 -4.987 12.491 -23.040 226 HE2 PHE 30 HE1 PHE 30 -3.861 13.738 -19.122 227 HZ PHE 30 HZ PHE 30 -4.089 14.214 -21.527 228 H SER 31 H SER 31 -6.748 6.975 -20.933 229 HA SER 31 HA SER 31 -6.913 7.824 -23.593 230 HB2 SER 31 1HB SER 31 -5.945 5.675 -23.044 231 HB3 SER 31 2HB SER 31 -7.478 5.110 -22.378 232 HG SER 31 HG SER 31 -6.819 5.643 -25.076 233 H GLU 32 H GLU 32 -9.401 6.328 -21.532 234 HA GLU 32 HA GLU 32 -11.462 6.475 -23.466 235 HB2 GLU 32 1HB GLU 32 -11.430 6.097 -20.485 236 HB3 GLU 32 2HB GLU 32 -12.947 6.256 -21.357 237 HG2 GLU 32 1HG GLU 32 -10.843 4.170 -21.887 238 HG3 GLU 32 2HG GLU 32 -12.329 3.920 -20.973 239 H LEU 33 H LEU 33 -10.526 8.589 -20.783 240 HA LEU 33 HA LEU 33 -12.630 10.387 -20.846 241 HB2 LEU 33 1HB LEU 33 -10.936 10.418 -19.117 242 HB3 LEU 33 2HB LEU 33 -9.712 10.900 -20.290 243 HG LEU 33 HG LEU 33 -11.555 12.912 -20.521 244 HD11 LEU 33 1HD1 LEU 33 -12.942 12.548 -18.745 245 HD12 LEU 33 2HD1 LEU 33 -11.699 13.522 -17.961 246 HD13 LEU 33 3HD1 LEU 33 -11.688 11.768 -17.780 247 HD21 LEU 33 3HD2 LEU 33 -9.926 14.194 -19.090 248 HD22 LEU 33 1HD2 LEU 33 -9.221 13.322 -20.451 249 HD23 LEU 33 2HD2 LEU 33 -9.084 12.668 -18.819 250 H TYR 34 H TYR 34 -9.678 10.340 -22.798 251 HA TYR 34 HA TYR 34 -10.151 12.783 -24.139 252 HB2 TYR 34 1HB TYR 34 -7.936 11.960 -24.201 253 HB3 TYR 34 2HB TYR 34 -8.451 10.378 -24.775 254 HD1 TYR 34 HD1 TYR 34 -8.400 13.963 -25.809 255 HD2 TYR 34 HD2 TYR 34 -8.312 9.891 -27.040 256 HE1 TYR 34 HE1 TYR 34 -7.990 14.678 -28.126 257 HE2 TYR 34 HE2 TYR 34 -7.900 10.595 -29.360 258 HH TYR 34 HH TYR 34 -8.235 12.555 -30.775 259 H ASP 35 H ASP 35 -11.497 9.649 -24.481 260 HA ASP 35 HA ASP 35 -12.364 10.032 -27.216 261 HB2 ASP 35 1HB ASP 35 -12.073 7.819 -25.461 262 HB3 ASP 35 2HB ASP 35 -13.772 7.903 -25.920 263 H ILE 36 H ILE 36 -13.634 10.443 -23.998 264 HA ILE 36 HA ILE 36 -16.341 10.880 -24.980 265 HB ILE 36 HB ILE 36 -16.232 9.677 -22.922 266 HG12 ILE 36 1HG1 ILE 36 -17.013 12.537 -22.315 267 HG13 ILE 36 2HG1 ILE 36 -18.036 11.359 -23.130 268 HG21 ILE 36 1HG2 ILE 36 -14.495 11.937 -21.951 269 HG22 ILE 36 2HG2 ILE 36 -15.210 10.729 -20.885 270 HG23 ILE 36 3HG2 ILE 36 -14.060 10.237 -22.128 271 HD11 ILE 36 3HD1 ILE 36 -17.942 9.952 -21.096 272 HD12 ILE 36 1HD1 ILE 36 -17.047 11.242 -20.293 273 HD13 ILE 36 2HD1 ILE 36 -18.700 11.524 -20.841 274 H ILE 37 H ILE 37 -13.591 12.681 -23.785 275 HA ILE 37 HA ILE 37 -14.844 15.132 -23.258 276 HB ILE 37 HB ILE 37 -12.463 14.482 -22.683 277 HG12 ILE 37 1HG1 ILE 37 -11.688 16.956 -23.457 278 HG13 ILE 37 2HG1 ILE 37 -13.429 17.099 -23.679 279 HG21 ILE 37 1HG2 ILE 37 -11.755 15.556 -25.390 280 HG22 ILE 37 2HG2 ILE 37 -10.740 14.687 -24.241 281 HG23 ILE 37 3HG2 ILE 37 -12.004 13.831 -25.122 282 HD11 ILE 37 3HD1 ILE 37 -12.424 17.790 -21.433 283 HD12 ILE 37 1HD1 ILE 37 -13.862 16.770 -21.421 284 HD13 ILE 37 2HD1 ILE 37 -12.275 16.061 -21.122 285 H ASP 38 H ASP 38 -13.960 13.599 -26.240 286 HA ASP 38 HA ASP 38 -13.794 15.781 -27.958 287 HB2 ASP 38 1HB ASP 38 -13.448 13.217 -28.377 288 HB3 ASP 38 2HB ASP 38 -15.147 13.257 -28.841 289 H GLU 39 H GLU 39 -16.556 14.307 -26.452 290 HA GLU 39 HA GLU 39 -18.375 15.937 -28.081 291 HB2 GLU 39 1HB GLU 39 -18.963 13.654 -26.189 292 HB3 GLU 39 2HB GLU 39 -20.171 14.540 -27.110 293 HG2 GLU 39 1HG GLU 39 -18.729 13.819 -29.157 294 HG3 GLU 39 2HG GLU 39 -18.130 12.584 -28.051 295 H ASN 40 H ASN 40 -20.433 16.534 -26.633 296 HA ASN 40 HA ASN 40 -19.356 18.066 -24.364 297 HB2 ASN 40 1HB ASN 40 -21.551 19.407 -24.742 298 HB3 ASN 40 2HB ASN 40 -20.211 19.637 -25.861 299 HD21 ASN 40 1HD2 ASN 40 -20.894 19.819 -27.857 300 HD22 ASN 40 2HD2 ASN 40 -22.189 18.934 -28.580 301 H ASP 41 H ASP 41 -20.087 15.334 -24.075 302 HA ASP 41 HA ASP 41 -22.698 15.021 -23.036 303 HB2 ASP 41 1HB ASP 41 -20.168 13.434 -22.564 304 HB3 ASP 41 2HB ASP 41 -21.758 12.945 -21.985 305 H THR 42 H THR 42 -23.296 16.464 -21.499 306 HA THR 42 HA THR 42 -21.545 17.090 -19.278 307 HB THR 42 HB THR 42 -24.427 17.927 -19.460 308 HG1 THR 42 HG1 THR 42 -22.198 18.961 -20.892 309 HG21 THR 42 3HG2 THR 42 -22.752 20.013 -18.627 310 HG22 THR 42 1HG2 THR 42 -22.150 18.569 -17.813 311 HG23 THR 42 2HG2 THR 42 -23.837 19.049 -17.625 312 H ASP 43 H ASP 43 -24.290 15.051 -19.941 313 HA ASP 43 HA ASP 43 -24.866 14.520 -17.167 314 HB2 ASP 43 1HB ASP 43 -26.669 14.435 -18.808 315 HB3 ASP 43 2HB ASP 43 -25.832 13.163 -19.693 316 H VAL 44 H VAL 44 -23.319 12.788 -19.847 317 HA VAL 44 HA VAL 44 -22.815 10.379 -18.519 318 HB VAL 44 HB VAL 44 -21.067 11.642 -20.633 319 HG11 VAL 44 1HG1 VAL 44 -21.242 8.957 -19.400 320 HG12 VAL 44 2HG1 VAL 44 -20.971 9.025 -21.142 321 HG13 VAL 44 3HG1 VAL 44 -19.847 9.823 -20.042 322 HG21 VAL 44 3HG2 VAL 44 -23.248 11.662 -21.533 323 HG22 VAL 44 1HG2 VAL 44 -22.480 10.214 -22.185 324 HG23 VAL 44 2HG2 VAL 44 -23.628 10.079 -20.853 325 H MET 45 H MET 45 -21.367 13.474 -18.163 326 HA MET 45 HA MET 45 -18.798 12.893 -17.326 327 HB2 MET 45 1HB MET 45 -20.738 15.070 -16.776 328 HB3 MET 45 2HB MET 45 -19.365 14.939 -15.684 329 HG2 MET 45 1HG MET 45 -18.053 14.787 -17.990 330 HG3 MET 45 2HG MET 45 -19.458 15.699 -18.539 331 HE1 MET 45 3HE MET 45 -16.114 16.998 -15.753 332 HE2 MET 45 1HE MET 45 -17.362 16.047 -14.946 333 HE3 MET 45 2HE MET 45 -16.493 15.372 -16.324 334 H MET 46 H MET 46 -21.729 13.109 -15.309 335 HA MET 46 HA MET 46 -20.552 12.443 -12.875 336 HB2 MET 46 1HB MET 46 -22.803 13.320 -12.980 337 HB3 MET 46 2HB MET 46 -23.352 11.912 -13.880 338 HG2 MET 46 1HG MET 46 -23.279 10.533 -12.025 339 HG3 MET 46 2HG MET 46 -22.166 11.590 -11.159 340 HE1 MET 46 3HE MET 46 -25.525 10.454 -11.919 341 HE2 MET 46 1HE MET 46 -26.653 11.522 -11.083 342 HE3 MET 46 2HE MET 46 -26.036 11.964 -12.675 343 H ASP 47 H ASP 47 -22.336 10.272 -15.076 344 HA ASP 47 HA ASP 47 -21.859 7.893 -13.743 345 HB2 ASP 47 1HB ASP 47 -23.425 7.803 -15.492 346 HB3 ASP 47 2HB ASP 47 -22.311 8.528 -16.648 347 H PHE 48 H PHE 48 -19.790 9.674 -15.946 348 HA PHE 48 HA PHE 48 -17.862 7.635 -16.334 349 HB2 PHE 48 1HB PHE 48 -17.899 9.426 -17.904 350 HB3 PHE 48 2HB PHE 48 -17.750 10.635 -16.633 351 HD1 PHE 48 HD1 PHE 48 -15.951 7.953 -18.425 352 HD2 PHE 48 HD2 PHE 48 -15.642 11.329 -15.850 353 HE1 PHE 48 HE1 PHE 48 -13.507 7.944 -18.711 354 HE2 PHE 48 HE2 PHE 48 -13.199 11.325 -16.133 355 HZ PHE 48 HZ PHE 48 -12.128 9.632 -17.566 356 H ILE 49 H ILE 49 -18.002 10.412 -14.123 357 HA ILE 49 HA ILE 49 -15.527 9.996 -12.873 358 HB ILE 49 HB ILE 49 -18.029 11.230 -11.714 359 HG12 ILE 49 1HG1 ILE 49 -15.732 12.877 -12.609 360 HG13 ILE 49 2HG1 ILE 49 -16.682 12.113 -13.879 361 HG21 ILE 49 1HG2 ILE 49 -16.807 10.995 -9.818 362 HG22 ILE 49 2HG2 ILE 49 -15.275 10.905 -10.685 363 HG23 ILE 49 3HG2 ILE 49 -16.049 12.468 -10.424 364 HD11 ILE 49 3HD1 ILE 49 -17.870 13.813 -11.706 365 HD12 ILE 49 1HD1 ILE 49 -17.378 14.430 -13.283 366 HD13 ILE 49 2HD1 ILE 49 -18.659 13.223 -13.168 367 H SER 50 H SER 50 -18.750 8.747 -12.128 368 HA SER 50 HA SER 50 -17.889 7.382 -9.755 369 HB2 SER 50 1HB SER 50 -20.272 8.230 -10.361 370 HB3 SER 50 2HB SER 50 -20.408 6.716 -11.256 371 HG SER 50 HG SER 50 -21.046 6.863 -8.879 372 H ARG 51 H ARG 51 -18.116 6.633 -13.136 373 HA ARG 51 HA ARG 51 -18.073 3.804 -12.909 374 HB2 ARG 51 1HB ARG 51 -17.705 5.791 -15.076 375 HB3 ARG 51 2HB ARG 51 -16.980 4.211 -15.338 376 HG2 ARG 51 1HG ARG 51 -19.095 3.125 -15.117 377 HG3 ARG 51 2HG ARG 51 -19.867 4.626 -14.604 378 HD2 ARG 51 1HD ARG 51 -20.444 4.330 -16.877 379 HD3 ARG 51 2HD ARG 51 -19.208 5.587 -16.842 380 HE ARG 51 HE ARG 51 -17.889 3.182 -17.226 381 HH11 ARG 51 1HH1 ARG 51 -20.259 5.114 -18.892 382 HH12 ARG 51 2HH1 ARG 51 -19.779 4.578 -20.468 383 HH21 ARG 51 1HH2 ARG 51 -17.248 2.469 -19.296 384 HH22 ARG 51 2HH2 ARG 51 -18.067 3.073 -20.697 385 H PHE 52 H PHE 52 -15.525 6.214 -13.493 386 HA PHE 52 HA PHE 52 -13.463 4.184 -13.314 387 HB2 PHE 52 1HB PHE 52 -13.557 7.078 -14.020 388 HB3 PHE 52 2HB PHE 52 -12.033 6.429 -13.422 389 HD1 PHE 52 HD2 PHE 52 -11.021 4.446 -14.620 390 HD2 PHE 52 HD1 PHE 52 -14.221 6.743 -16.232 391 HE1 PHE 52 HE2 PHE 52 -10.508 3.580 -16.865 392 HE2 PHE 52 HE1 PHE 52 -13.714 5.880 -18.479 393 HZ PHE 52 HZ PHE 52 -11.854 4.297 -18.799 394 H ALA 53 H ALA 53 -14.353 7.133 -11.528 395 HA ALA 53 HA ALA 53 -12.571 6.405 -9.350 396 HB1 ALA 53 3HB ALA 53 -14.118 8.632 -8.611 397 HB2 ALA 53 1HB ALA 53 -12.439 8.610 -9.154 398 HB3 ALA 53 2HB ALA 53 -13.742 8.830 -10.323 399 H ARG 54 H ARG 54 -13.386 6.460 -7.098 400 HA ARG 54 HA ARG 54 -14.719 5.664 -5.437 401 HB2 ARG 54 1HB ARG 54 -16.269 7.426 -6.608 402 HB3 ARG 54 2HB ARG 54 -17.146 6.004 -7.157 403 HG2 ARG 54 1HG ARG 54 -17.157 5.329 -4.667 404 HG3 ARG 54 2HG ARG 54 -16.765 7.024 -4.374 405 HD2 ARG 54 1HD ARG 54 -18.763 7.648 -5.725 406 HD3 ARG 54 2HD ARG 54 -19.178 5.937 -5.818 407 HE ARG 54 HE ARG 54 -18.840 6.659 -3.124 408 HH11 ARG 54 1HH1 ARG 54 -21.015 7.180 -5.792 409 HH12 ARG 54 2HH1 ARG 54 -22.402 7.426 -4.784 410 HH21 ARG 54 1HH2 ARG 54 -20.659 6.982 -1.785 411 HH22 ARG 54 2HH2 ARG 54 -22.198 7.315 -2.504 412 H THR 55 H THR 55 -13.528 3.702 -6.702 413 HA THR 55 HA THR 55 -15.615 1.704 -7.284 414 HB THR 55 HB THR 55 -14.075 0.501 -8.642 415 HG1 THR 55 HG1 THR 55 -11.865 1.363 -8.851 416 HG21 THR 55 3HG2 THR 55 -15.078 2.438 -9.742 417 HG22 THR 55 1HG2 THR 55 -13.450 2.147 -10.355 418 HG23 THR 55 2HG2 THR 55 -13.739 3.450 -9.202 419 H ASP 56 H ASP 56 -12.919 2.531 -5.281 420 HA ASP 56 HA ASP 56 -13.429 0.153 -3.655 421 HB2 ASP 56 1HB ASP 56 -10.869 0.842 -5.002 422 HB3 ASP 56 2HB ASP 56 -10.770 0.235 -3.351 423 H GLU 57 H GLU 57 -11.897 0.384 -1.586 424 HA GLU 57 HA GLU 57 -12.633 2.948 -0.431 425 HB2 GLU 57 1HB GLU 57 -12.156 1.949 1.702 426 HB3 GLU 57 2HB GLU 57 -13.097 0.805 0.755 427 HG2 GLU 57 1HG GLU 57 -10.938 -0.314 0.142 428 HG3 GLU 57 2HG GLU 57 -10.149 0.726 1.327 429 H ILE 58 H ILE 58 -11.160 4.283 0.720 430 HA ILE 58 HA ILE 58 -8.430 4.147 -0.355 431 HB ILE 58 HB ILE 58 -9.824 6.507 0.911 432 HG12 ILE 58 1HG1 ILE 58 -10.874 5.824 -1.219 433 HG13 ILE 58 2HG1 ILE 58 -10.064 7.381 -1.354 434 HG21 ILE 58 1HG2 ILE 58 -7.715 7.233 1.103 435 HG22 ILE 58 2HG2 ILE 58 -7.091 5.998 0.010 436 HG23 ILE 58 3HG2 ILE 58 -7.799 7.476 -0.642 437 HD11 ILE 58 3HD1 ILE 58 -8.160 6.282 -2.427 438 HD12 ILE 58 1HD1 ILE 58 -9.002 4.736 -2.318 439 HD13 ILE 58 2HD1 ILE 58 -9.662 6.032 -3.317 440 H MET 59 H MET 59 -6.635 4.324 0.972 441 HA MET 59 HA MET 59 -7.159 4.027 3.857 442 HB2 MET 59 1HB MET 59 -5.328 2.557 2.022 443 HB3 MET 59 2HB MET 59 -4.791 2.834 3.674 444 HG2 MET 59 1HG MET 59 -6.417 1.492 4.577 445 HG3 MET 59 2HG MET 59 -7.502 1.700 3.204 446 HE1 MET 59 3HE MET 59 -5.424 -1.485 4.608 447 HE2 MET 59 1HE MET 59 -6.961 -0.647 4.829 448 HE3 MET 59 2HE MET 59 -6.846 -1.993 3.695 449 HA PRO 60 HA PRO 60 -4.501 7.413 4.705 450 HB2 PRO 60 1HB PRO 60 -3.185 6.586 6.930 451 HB3 PRO 60 2HB PRO 60 -4.893 7.041 6.938 452 HG2 PRO 60 1HG PRO 60 -3.660 4.315 6.835 453 HG3 PRO 60 2HG PRO 60 -5.045 4.882 7.786 454 HD2 PRO 60 1HD PRO 60 -5.332 3.477 5.489 455 HD3 PRO 60 2HD PRO 60 -6.498 4.712 6.005 456 H GLU 61 H GLU 61 -3.099 4.278 4.209 457 HA GLU 61 HA GLU 61 -0.410 5.395 3.948 458 HB2 GLU 61 1HB GLU 61 -1.507 2.605 4.097 459 HB3 GLU 61 2HB GLU 61 0.110 2.892 3.469 460 HG2 GLU 61 1HG GLU 61 0.904 3.660 5.509 461 HG3 GLU 61 2HG GLU 61 -0.714 3.995 6.123 462 H ASP 62 H ASP 62 -2.414 6.159 2.049 463 HA ASP 62 HA ASP 62 -1.749 4.689 -0.380 464 HB2 ASP 62 1HB ASP 62 -3.765 6.812 0.297 465 HB3 ASP 62 2HB ASP 62 -3.377 6.443 -1.381 466 H LYS 63 H LYS 63 -0.519 5.467 -2.020 467 HA LYS 63 HA LYS 63 0.934 7.961 -1.487 468 HB2 LYS 63 1HB LYS 63 2.071 5.651 -1.898 469 HB3 LYS 63 2HB LYS 63 1.713 5.967 -3.591 470 HG2 LYS 63 1HG LYS 63 2.875 8.268 -3.060 471 HG3 LYS 63 2HG LYS 63 3.621 7.329 -1.766 472 HD2 LYS 63 1HD LYS 63 4.600 5.817 -3.297 473 HD3 LYS 63 2HD LYS 63 3.603 6.405 -4.630 474 HE2 LYS 63 1HE LYS 63 4.773 8.498 -4.660 475 HE3 LYS 63 2HE LYS 63 5.653 8.082 -3.190 476 HZ1 LYS 63 3HZ LYS 63 6.297 7.477 -5.877 477 HZ2 LYS 63 1HZ LYS 63 6.143 6.043 -4.991 478 HZ3 LYS 63 2HZ LYS 63 7.224 7.240 -4.481 479 H THR 64 H THR 64 1.051 9.602 -2.977 480 HA THR 64 HA THR 64 -1.021 9.580 -5.029 481 HB THR 64 HB THR 64 0.715 11.952 -4.418 482 HG1 THR 64 HG1 THR 64 -0.001 11.776 -2.421 483 HG21 THR 64 3HG2 THR 64 -2.056 11.498 -5.485 484 HG22 THR 64 1HG2 THR 64 -0.715 12.367 -6.229 485 HG23 THR 64 2HG2 THR 64 -1.561 13.066 -4.849 486 H VAL 65 H VAL 65 -0.316 8.578 -6.836 487 HA VAL 65 HA VAL 65 2.336 8.613 -7.793 488 HB VAL 65 HB VAL 65 1.313 7.830 -9.960 489 HG11 VAL 65 1HG1 VAL 65 1.000 5.675 -9.171 490 HG12 VAL 65 2HG1 VAL 65 1.952 6.415 -7.882 491 HG13 VAL 65 3HG1 VAL 65 0.209 6.221 -7.693 492 HG21 VAL 65 3HG2 VAL 65 -0.910 7.803 -10.329 493 HG22 VAL 65 1HG2 VAL 65 -1.287 7.402 -8.653 494 HG23 VAL 65 2HG2 VAL 65 -0.936 9.070 -9.103 495 H GLY 66 H GLY 66 -0.183 10.924 -7.974 496 HA2 GLY 66 1HA GLY 66 1.051 13.110 -8.755 497 HA3 GLY 66 2HA GLY 66 0.994 12.265 -10.295 498 H PHE 67 H PHE 67 -0.220 14.215 -10.937 499 HA PHE 67 HA PHE 67 -3.068 13.715 -10.666 500 HB2 PHE 67 1HB PHE 67 -3.552 16.095 -10.129 501 HB3 PHE 67 2HB PHE 67 -2.698 15.257 -8.836 502 HD1 PHE 67 HD1 PHE 67 -2.240 17.598 -11.667 503 HD2 PHE 67 HD2 PHE 67 -0.649 16.052 -8.035 504 HE1 PHE 67 HE1 PHE 67 -0.513 19.351 -11.682 505 HE2 PHE 67 HE2 PHE 67 1.080 17.802 -8.043 506 HZ PHE 67 HZ PHE 67 1.150 19.455 -9.868 507 H VAL 68 H VAL 68 -4.351 14.966 -12.219 508 HA VAL 68 HA VAL 68 -2.772 15.954 -14.498 509 HB VAL 68 HB VAL 68 -5.163 14.116 -14.680 510 HG11 VAL 68 1HG1 VAL 68 -3.502 15.367 -16.866 511 HG12 VAL 68 2HG1 VAL 68 -4.795 14.189 -17.097 512 HG13 VAL 68 3HG1 VAL 68 -5.164 15.791 -16.456 513 HG21 VAL 68 3HG2 VAL 68 -3.357 12.730 -15.941 514 HG22 VAL 68 1HG2 VAL 68 -2.221 13.714 -15.017 515 HG23 VAL 68 2HG2 VAL 68 -3.401 12.706 -14.178 516 H VAL 69 H VAL 69 -3.326 17.963 -14.989 517 HA VAL 69 HA VAL 69 -5.846 19.054 -14.031 518 HB VAL 69 HB VAL 69 -3.647 20.496 -15.513 519 HG11 VAL 69 1HG1 VAL 69 -5.979 21.430 -13.853 520 HG12 VAL 69 2HG1 VAL 69 -4.641 22.475 -14.335 521 HG13 VAL 69 3HG1 VAL 69 -5.676 21.742 -15.561 522 HG21 VAL 69 3HG2 VAL 69 -3.208 21.312 -13.056 523 HG22 VAL 69 1HG2 VAL 69 -3.939 19.762 -12.639 524 HG23 VAL 69 2HG2 VAL 69 -2.493 19.812 -13.648 525 H VAL 70 H VAL 70 -7.584 19.384 -15.259 526 HA VAL 70 HA VAL 70 -7.296 19.651 -18.155 527 HB VAL 70 HB VAL 70 -9.131 17.623 -16.870 528 HG11 VAL 70 1HG1 VAL 70 -9.061 17.292 -19.653 529 HG12 VAL 70 2HG1 VAL 70 -10.416 17.849 -18.669 530 HG13 VAL 70 3HG1 VAL 70 -9.298 19.017 -19.375 531 HG21 VAL 70 3HG2 VAL 70 -7.154 16.485 -16.935 532 HG22 VAL 70 1HG2 VAL 70 -7.709 16.181 -18.581 533 HG23 VAL 70 2HG2 VAL 70 -6.517 17.444 -18.271 534 H ASN 71 H ASN 71 -8.205 21.569 -18.512 535 HA ASN 71 HA ASN 71 -10.886 22.058 -17.408 536 HB2 ASN 71 1HB ASN 71 -8.870 24.274 -17.723 537 HB3 ASN 71 2HB ASN 71 -10.377 24.284 -16.811 538 HD21 ASN 71 1HD2 ASN 71 -7.554 24.842 -16.058 539 HD22 ASN 71 2HD2 ASN 71 -7.248 23.827 -14.693 540 H ALA 72 H ALA 72 -12.230 22.111 -19.078 541 HA ALA 72 HA ALA 72 -11.384 22.682 -21.743 542 HB1 ALA 72 3HB ALA 72 -14.269 22.743 -21.077 543 HB2 ALA 72 1HB ALA 72 -13.424 21.931 -22.395 544 HB3 ALA 72 2HB ALA 72 -13.402 21.238 -20.773 545 H ASP 73 H ASP 73 -13.409 24.408 -19.384 546 HA ASP 73 HA ASP 73 -13.900 26.653 -21.038 547 HB2 ASP 73 1HB ASP 73 -15.411 26.386 -19.264 548 HB3 ASP 73 2HB ASP 73 -14.126 26.148 -18.083 549 H LYS 74 H LYS 74 -11.568 26.088 -18.416 550 HA LYS 74 HA LYS 74 -10.328 28.650 -18.712 551 HB2 LYS 74 1HB LYS 74 -9.115 26.237 -17.374 552 HB3 LYS 74 2HB LYS 74 -8.798 27.935 -17.039 553 HG2 LYS 74 1HG LYS 74 -11.312 28.012 -16.400 554 HG3 LYS 74 2HG LYS 74 -11.144 26.260 -16.264 555 HD2 LYS 74 1HD LYS 74 -10.746 27.144 -14.101 556 HD3 LYS 74 2HD LYS 74 -9.169 26.687 -14.750 557 HE2 LYS 74 1HE LYS 74 -8.619 28.944 -15.232 558 HE3 LYS 74 2HE LYS 74 -10.273 29.481 -14.940 559 HZ1 LYS 74 3HZ LYS 74 -8.404 29.752 -13.135 560 HZ2 LYS 74 1HZ LYS 74 -8.851 28.167 -12.746 561 HZ3 LYS 74 2HZ LYS 74 -10.002 29.406 -12.698 562 H LYS 75 H LYS 75 -10.040 25.635 -20.301 563 HA LYS 75 HA LYS 75 -8.724 24.904 -22.006 564 HB2 LYS 75 1HB LYS 75 -7.665 27.725 -22.182 565 HB3 LYS 75 2HB LYS 75 -7.697 26.512 -23.455 566 HG2 LYS 75 1HG LYS 75 -10.075 26.655 -23.628 567 HG3 LYS 75 2HG LYS 75 -10.166 27.689 -22.200 568 HD2 LYS 75 1HD LYS 75 -8.919 29.431 -23.381 569 HD3 LYS 75 2HD LYS 75 -8.816 28.395 -24.806 570 HE2 LYS 75 1HE LYS 75 -11.404 29.310 -23.562 571 HE3 LYS 75 2HE LYS 75 -10.613 30.128 -24.908 572 HZ1 LYS 75 3HZ LYS 75 -11.717 27.376 -24.877 573 HZ2 LYS 75 1HZ LYS 75 -10.751 27.978 -26.129 574 HZ3 LYS 75 2HZ LYS 75 -12.250 28.688 -25.801 575 H LEU 76 H LEU 76 -7.733 24.131 -19.729 576 HA LEU 76 HA LEU 76 -4.839 24.545 -20.011 577 HB2 LEU 76 1HB LEU 76 -6.130 24.220 -17.323 578 HB3 LEU 76 2HB LEU 76 -4.493 24.754 -17.700 579 HG LEU 76 HG LEU 76 -7.017 26.338 -18.180 580 HD11 LEU 76 1HD1 LEU 76 -4.985 27.355 -16.338 581 HD12 LEU 76 2HD1 LEU 76 -5.796 25.890 -15.786 582 HD13 LEU 76 3HD1 LEU 76 -6.742 27.322 -16.189 583 HD21 LEU 76 3HD2 LEU 76 -4.679 27.926 -18.232 584 HD22 LEU 76 1HD2 LEU 76 -5.811 27.600 -19.545 585 HD23 LEU 76 2HD2 LEU 76 -4.410 26.554 -19.309 586 H MET 77 H MET 77 -3.819 22.686 -20.319 587 HA MET 77 HA MET 77 -4.944 20.240 -19.133 588 HB2 MET 77 1HB MET 77 -3.645 20.310 -21.852 589 HB3 MET 77 2HB MET 77 -4.547 18.990 -21.119 590 HG2 MET 77 1HG MET 77 -5.736 21.640 -21.903 591 HG3 MET 77 2HG MET 77 -5.780 20.185 -22.896 592 HE1 MET 77 3HE MET 77 -6.424 17.995 -21.966 593 HE2 MET 77 1HE MET 77 -6.659 17.859 -20.223 594 HE3 MET 77 2HE MET 77 -8.049 17.800 -21.307 595 H SER 78 H SER 78 -3.534 19.503 -17.697 596 HA SER 78 HA SER 78 -0.687 19.446 -18.420 597 HB2 SER 78 1HB SER 78 -1.452 19.977 -15.575 598 HB3 SER 78 2HB SER 78 0.030 20.398 -16.433 599 HG SER 78 HG SER 78 -1.262 22.235 -16.070 600 H VAL 79 H VAL 79 0.538 17.784 -17.404 601 HA VAL 79 HA VAL 79 -0.952 15.749 -15.929 602 HB VAL 79 HB VAL 79 0.786 14.576 -17.975 603 HG11 VAL 79 1HG1 VAL 79 -2.110 14.026 -17.376 604 HG12 VAL 79 2HG1 VAL 79 -0.916 12.936 -18.081 605 HG13 VAL 79 3HG1 VAL 79 -0.792 13.403 -16.385 606 HG21 VAL 79 3HG2 VAL 79 -0.038 16.323 -19.380 607 HG22 VAL 79 1HG2 VAL 79 -0.928 14.853 -19.778 608 HG23 VAL 79 2HG2 VAL 79 -1.684 16.100 -18.787 609 H SER 80 H SER 80 0.197 15.132 -14.230 610 HA SER 80 HA SER 80 3.110 14.940 -14.447 611 HB2 SER 80 1HB SER 80 2.790 17.132 -13.492 612 HB3 SER 80 2HB SER 80 1.634 16.503 -12.317 613 HG SER 80 HG SER 80 3.963 16.852 -11.678 614 H PHE 81 H PHE 81 3.372 12.820 -14.119 615 HA PHE 81 HA PHE 81 2.371 11.695 -11.608 616 HB2 PHE 81 1HB PHE 81 1.846 9.553 -12.853 617 HB3 PHE 81 2HB PHE 81 0.748 10.895 -13.156 618 HD1 PHE 81 HD1 PHE 81 0.941 12.179 -15.280 619 HD2 PHE 81 HD2 PHE 81 3.107 8.581 -14.589 620 HE1 PHE 81 HE1 PHE 81 1.335 11.956 -17.699 621 HE2 PHE 81 HE2 PHE 81 3.506 8.352 -17.006 622 HZ PHE 81 HZ PHE 81 2.620 10.041 -18.565 623 H SER 82 H SER 82 3.420 9.505 -11.188 624 HA SER 82 HA SER 82 6.149 9.762 -10.971 625 HB2 SER 82 1HB SER 82 4.943 8.124 -9.659 626 HB3 SER 82 2HB SER 82 4.500 7.228 -11.112 627 HG SER 82 HG SER 82 6.244 6.150 -10.532 628 H ASP 83 H ASP 83 7.917 9.187 -12.155 629 HA ASP 83 HA ASP 83 7.653 9.071 -14.970 630 HB2 ASP 83 1HB ASP 83 9.639 9.889 -13.461 631 HB3 ASP 83 2HB ASP 83 10.166 8.212 -13.582 632 H ILE 84 H ILE 84 6.390 7.289 -15.511 633 HA ILE 84 HA ILE 84 7.187 4.633 -14.693 634 HB ILE 84 HB ILE 84 5.320 3.854 -16.084 635 HG12 ILE 84 1HG1 ILE 84 4.991 6.785 -16.761 636 HG13 ILE 84 2HG1 ILE 84 5.463 5.509 -17.878 637 HG21 ILE 84 1HG2 ILE 84 4.308 6.191 -14.508 638 HG22 ILE 84 2HG2 ILE 84 3.624 4.573 -14.663 639 HG23 ILE 84 3HG2 ILE 84 5.086 4.824 -13.710 640 HD11 ILE 84 3HD1 ILE 84 3.099 4.573 -16.862 641 HD12 ILE 84 1HD1 ILE 84 2.826 6.312 -16.960 642 HD13 ILE 84 2HD1 ILE 84 3.305 5.412 -18.400 643 H ASP 85 H ASP 85 6.924 3.013 -16.762 644 HA ASP 85 HA ASP 85 9.335 3.057 -18.090 645 HB2 ASP 85 1HB ASP 85 6.711 1.765 -18.825 646 HB3 ASP 85 2HB ASP 85 8.179 1.512 -19.766 647 H GLU 86 H GLU 86 9.921 3.482 -20.283 648 HA GLU 86 HA GLU 86 8.921 5.973 -21.239 649 HB2 GLU 86 1HB GLU 86 10.529 5.651 -23.089 650 HB3 GLU 86 2HB GLU 86 11.264 5.418 -21.509 651 HG2 GLU 86 1HG GLU 86 10.637 2.894 -22.000 652 HG3 GLU 86 2HG GLU 86 10.737 3.459 -23.667 653 H ASN 87 H ASN 87 8.629 2.618 -22.315 654 HA ASN 87 HA ASN 87 7.405 2.966 -24.759 655 HB2 ASN 87 1HB ASN 87 8.082 0.798 -23.430 656 HB3 ASN 87 2HB ASN 87 6.396 0.827 -22.923 657 HD21 ASN 87 1HD2 ASN 87 8.590 0.413 -25.573 658 HD22 ASN 87 2HD2 ASN 87 7.439 -0.221 -26.695 659 H MET 88 H MET 88 6.010 3.194 -21.541 660 HA MET 88 HA MET 88 3.307 3.415 -22.479 661 HB2 MET 88 1HB MET 88 4.151 2.619 -20.162 662 HB3 MET 88 2HB MET 88 4.250 4.332 -19.778 663 HG2 MET 88 1HG MET 88 1.956 4.627 -19.916 664 HG3 MET 88 2HG MET 88 1.727 3.164 -20.871 665 HE1 MET 88 3HE MET 88 0.583 1.588 -20.195 666 HE2 MET 88 1HE MET 88 1.553 0.442 -19.269 667 HE3 MET 88 2HE MET 88 0.095 1.138 -18.560 668 H LYS 89 H LYS 89 5.875 5.637 -21.588 669 HA LYS 89 HA LYS 89 4.415 8.002 -21.392 670 HB2 LYS 89 1HB LYS 89 6.846 7.674 -20.822 671 HB3 LYS 89 2HB LYS 89 7.196 7.746 -22.544 672 HG2 LYS 89 1HG LYS 89 6.673 9.995 -22.690 673 HG3 LYS 89 2HG LYS 89 5.700 9.967 -21.218 674 HD2 LYS 89 1HD LYS 89 7.578 11.000 -20.422 675 HD3 LYS 89 2HD LYS 89 8.016 9.316 -20.123 676 HE2 LYS 89 1HE LYS 89 9.280 9.260 -22.201 677 HE3 LYS 89 2HE LYS 89 8.800 10.919 -22.557 678 HZ1 LYS 89 3HZ LYS 89 11.072 10.253 -21.326 679 HZ2 LYS 89 1HZ LYS 89 10.076 10.525 -19.987 680 HZ3 LYS 89 2HZ LYS 89 10.303 11.747 -21.133 681 H LYS 90 H LYS 90 5.294 6.127 -24.163 682 HA LYS 90 HA LYS 90 5.081 8.122 -26.147 683 HB2 LYS 90 1HB LYS 90 6.026 5.729 -26.329 684 HB3 LYS 90 2HB LYS 90 4.358 5.235 -26.588 685 HG2 LYS 90 1HG LYS 90 4.212 6.655 -28.547 686 HG3 LYS 90 2HG LYS 90 5.858 7.231 -28.272 687 HD2 LYS 90 1HD LYS 90 6.557 4.781 -28.424 688 HD3 LYS 90 2HD LYS 90 4.946 4.483 -29.081 689 HE2 LYS 90 1HE LYS 90 6.405 4.776 -30.931 690 HE3 LYS 90 2HE LYS 90 5.437 6.244 -30.804 691 HZ1 LYS 90 3HZ LYS 90 7.979 6.415 -31.151 692 HZ2 LYS 90 1HZ LYS 90 8.065 6.114 -29.488 693 HZ3 LYS 90 2HZ LYS 90 7.221 7.463 -30.061 694 H VAL 91 H VAL 91 2.721 5.651 -25.118 695 HA VAL 91 HA VAL 91 0.595 6.691 -26.671 696 HB VAL 91 HB VAL 91 0.515 4.397 -25.937 697 HG11 VAL 91 1HG1 VAL 91 0.462 5.527 -23.142 698 HG12 VAL 91 2HG1 VAL 91 0.151 3.837 -23.547 699 HG13 VAL 91 3HG1 VAL 91 1.734 4.545 -23.868 700 HG21 VAL 91 3HG2 VAL 91 -1.649 5.984 -24.557 701 HG22 VAL 91 1HG2 VAL 91 -1.619 5.569 -26.271 702 HG23 VAL 91 2HG2 VAL 91 -1.749 4.296 -25.057 703 H ILE 92 H ILE 92 1.733 7.325 -23.418 704 HA ILE 92 HA ILE 92 -0.560 8.763 -22.544 705 HB ILE 92 HB ILE 92 2.287 8.824 -21.541 706 HG12 ILE 92 1HG1 ILE 92 -0.153 7.480 -20.366 707 HG13 ILE 92 2HG1 ILE 92 1.025 6.653 -21.379 708 HG21 ILE 92 1HG2 ILE 92 1.701 10.624 -20.374 709 HG22 ILE 92 2HG2 ILE 92 0.024 10.496 -20.902 710 HG23 ILE 92 3HG2 ILE 92 0.574 9.596 -19.489 711 HD11 ILE 92 3HD1 ILE 92 2.752 7.024 -19.756 712 HD12 ILE 92 1HD1 ILE 92 1.669 8.009 -18.773 713 HD13 ILE 92 2HD1 ILE 92 1.361 6.283 -18.965 714 H LYS 93 H LYS 93 2.575 9.751 -23.880 715 HA LYS 93 HA LYS 93 2.086 12.536 -23.731 716 HB2 LYS 93 1HB LYS 93 4.344 11.580 -23.945 717 HB3 LYS 93 2HB LYS 93 3.950 11.011 -25.561 718 HG2 LYS 93 1HG LYS 93 3.613 13.903 -25.009 719 HG3 LYS 93 2HG LYS 93 5.258 13.273 -25.130 720 HD2 LYS 93 1HD LYS 93 4.433 12.165 -27.310 721 HD3 LYS 93 2HD LYS 93 3.090 13.305 -27.203 722 HE2 LYS 93 1HE LYS 93 4.703 14.349 -28.566 723 HE3 LYS 93 2HE LYS 93 4.840 15.127 -26.990 724 HZ1 LYS 93 3HZ LYS 93 6.931 14.445 -26.791 725 HZ2 LYS 93 1HZ LYS 93 6.874 13.991 -28.420 726 HZ3 LYS 93 2HZ LYS 93 6.549 12.852 -27.212 727 H ALA 94 H ALA 94 1.576 10.127 -26.263 728 HA ALA 94 HA ALA 94 0.820 11.936 -28.299 729 HB1 ALA 94 3HB ALA 94 1.484 9.738 -28.920 730 HB2 ALA 94 1HB ALA 94 0.238 9.008 -27.908 731 HB3 ALA 94 2HB ALA 94 -0.216 9.911 -29.354 732 H THR 95 H THR 95 -1.120 9.962 -26.060 733 HA THR 95 HA THR 95 -3.635 10.842 -26.952 734 HB THR 95 HB THR 95 -2.912 9.901 -24.170 735 HG1 THR 95 HG1 THR 95 -2.858 7.944 -24.987 736 HG21 THR 95 3HG2 THR 95 -5.124 10.969 -24.340 737 HG22 THR 95 1HG2 THR 95 -5.253 9.240 -24.018 738 HG23 THR 95 2HG2 THR 95 -5.550 9.860 -25.643 739 H ALA 96 H ALA 96 -1.502 12.046 -24.394 740 HA ALA 96 HA ALA 96 -3.306 14.047 -23.473 741 HB1 ALA 96 3HB ALA 96 -1.228 14.977 -22.368 742 HB2 ALA 96 1HB ALA 96 -1.662 13.321 -21.943 743 HB3 ALA 96 2HB ALA 96 -0.354 13.625 -23.087 744 H GLU 97 H GLU 97 -0.859 13.911 -25.960 745 HA GLU 97 HA GLU 97 -0.671 16.737 -26.348 746 HB2 GLU 97 1HB GLU 97 0.299 14.314 -27.796 747 HB3 GLU 97 2HB GLU 97 0.276 15.848 -28.654 748 HG2 GLU 97 1HG GLU 97 1.615 15.490 -25.991 749 HG3 GLU 97 2HG GLU 97 2.439 15.231 -27.527 750 H LYS 98 H LYS 98 -2.587 14.142 -27.739 751 HA LYS 98 HA LYS 98 -3.620 15.417 -29.976 752 HB2 LYS 98 1HB LYS 98 -4.838 13.372 -28.124 753 HB3 LYS 98 2HB LYS 98 -5.640 13.914 -29.592 754 HG2 LYS 98 1HG LYS 98 -2.846 12.953 -29.829 755 HG3 LYS 98 2HG LYS 98 -4.108 11.757 -29.528 756 HD2 LYS 98 1HD LYS 98 -5.326 13.048 -31.476 757 HD3 LYS 98 2HD LYS 98 -3.676 13.518 -31.894 758 HE2 LYS 98 1HE LYS 98 -3.990 11.574 -33.122 759 HE3 LYS 98 2HE LYS 98 -3.152 10.998 -31.682 760 HZ1 LYS 98 3HZ LYS 98 -4.835 9.631 -31.314 761 HZ2 LYS 98 1HZ LYS 98 -5.661 10.220 -32.667 762 HZ3 LYS 98 2HZ LYS 98 -5.891 10.942 -31.155 763 H PHE 99 H PHE 99 -4.403 15.824 -26.605 764 HA PHE 99 HA PHE 99 -6.898 17.048 -26.797 765 HB2 PHE 99 1HB PHE 99 -4.704 17.006 -24.811 766 HB3 PHE 99 2HB PHE 99 -5.826 18.357 -24.686 767 HD1 PHE 99 HD1 PHE 99 -8.183 17.973 -24.182 768 HD2 PHE 99 HD2 PHE 99 -5.383 14.770 -24.298 769 HE1 PHE 99 HE1 PHE 99 -9.784 16.535 -22.988 770 HE2 PHE 99 HE2 PHE 99 -6.979 13.327 -23.105 771 HZ PHE 99 HZ PHE 99 -9.183 14.208 -22.449 772 H LYS 100 H LYS 100 -3.770 18.215 -27.650 773 HA LYS 100 HA LYS 100 -3.995 20.948 -27.419 774 HB2 LYS 100 1HB LYS 100 -2.329 21.133 -29.109 775 HB3 LYS 100 2HB LYS 100 -2.000 19.640 -28.240 776 HG2 LYS 100 1HG LYS 100 -3.255 18.441 -30.070 777 HG3 LYS 100 2HG LYS 100 -3.224 19.962 -30.964 778 HD2 LYS 100 1HD LYS 100 -0.746 18.626 -29.894 779 HD3 LYS 100 2HD LYS 100 -1.380 18.331 -31.515 780 HE2 LYS 100 1HE LYS 100 -1.332 20.949 -31.666 781 HE3 LYS 100 2HE LYS 100 -0.146 20.795 -30.371 782 HZ1 LYS 100 3HZ LYS 100 0.020 19.851 -33.154 783 HZ2 LYS 100 1HZ LYS 100 0.928 19.084 -31.950 784 HZ3 LYS 100 2HZ LYS 100 1.150 20.732 -32.256 785 H ASN 101 H ASN 101 -5.542 18.814 -29.707 786 HA ASN 101 HA ASN 101 -6.303 20.556 -31.706 787 HB2 ASN 101 1HB ASN 101 -7.645 18.143 -30.514 788 HB3 ASN 101 2HB ASN 101 -8.412 19.050 -31.815 789 HD21 ASN 101 1HD2 ASN 101 -7.156 16.307 -31.560 790 HD22 ASN 101 2HD2 ASN 101 -6.091 16.208 -32.918 791 H LYS 102 H LYS 102 -7.680 20.127 -28.502 792 HA LYS 102 HA LYS 102 -9.362 22.496 -28.983 793 HB2 LYS 102 1HB LYS 102 -10.570 20.216 -28.811 794 HB3 LYS 102 2HB LYS 102 -10.173 20.296 -27.100 795 HG2 LYS 102 1HG LYS 102 -11.452 22.289 -26.820 796 HG3 LYS 102 2HG LYS 102 -11.692 22.442 -28.562 797 HD2 LYS 102 1HD LYS 102 -13.703 21.533 -27.827 798 HD3 LYS 102 2HD LYS 102 -12.805 20.119 -28.383 799 HE2 LYS 102 1HE LYS 102 -13.687 19.456 -26.326 800 HE3 LYS 102 2HE LYS 102 -12.022 19.902 -25.952 801 HZ1 LYS 102 3HZ LYS 102 -13.648 20.778 -24.347 802 HZ2 LYS 102 1HZ LYS 102 -14.364 21.689 -25.580 803 HZ3 LYS 102 2HZ LYS 102 -12.770 22.005 -25.112 804 H GLY 103 H GLY 103 -6.658 22.138 -27.790 805 HA2 GLY 103 1HA GLY 103 -6.983 23.906 -25.593 806 HA3 GLY 103 2HA GLY 103 -6.648 22.279 -25.018 807 H PHE 104 H PHE 104 -5.411 24.889 -27.052 808 HA PHE 104 HA PHE 104 -2.941 23.882 -27.733 809 HB2 PHE 104 1HB PHE 104 -2.216 26.141 -28.047 810 HB3 PHE 104 2HB PHE 104 -3.930 26.088 -28.448 811 HD1 PHE 104 HD1 PHE 104 -5.591 26.866 -26.700 812 HD2 PHE 104 HD2 PHE 104 -1.409 27.611 -26.429 813 HE1 PHE 104 HE1 PHE 104 -6.022 28.686 -25.102 814 HE2 PHE 104 HE2 PHE 104 -1.833 29.431 -24.830 815 HZ PHE 104 HZ PHE 104 -4.142 29.971 -24.163 816 H LYS 105 H LYS 105 -4.035 25.098 -24.651 817 HA LYS 105 HA LYS 105 -1.425 25.278 -23.479 818 HB2 LYS 105 1HB LYS 105 -3.670 26.448 -22.792 819 HB3 LYS 105 2HB LYS 105 -3.926 24.980 -21.858 820 HG2 LYS 105 1HG LYS 105 -1.384 26.540 -21.606 821 HG3 LYS 105 2HG LYS 105 -2.834 26.999 -20.709 822 HD2 LYS 105 1HD LYS 105 -2.840 24.453 -20.053 823 HD3 LYS 105 2HD LYS 105 -1.124 24.568 -20.452 824 HE2 LYS 105 1HE LYS 105 -2.292 26.661 -18.697 825 HE3 LYS 105 2HE LYS 105 -2.043 25.056 -18.011 826 HZ1 LYS 105 3HZ LYS 105 0.252 25.175 -18.419 827 HZ2 LYS 105 1HZ LYS 105 -0.154 26.684 -17.771 828 HZ3 LYS 105 2HZ LYS 105 0.101 26.519 -19.435 829 H VAL 106 H VAL 106 -0.638 23.153 -24.084 830 HA VAL 106 HA VAL 106 -1.638 21.026 -22.304 831 HB VAL 106 HB VAL 106 -1.939 20.551 -24.731 832 HG11 VAL 106 1HG1 VAL 106 -0.182 20.364 -26.223 833 HG12 VAL 106 2HG1 VAL 106 0.297 21.764 -25.261 834 HG13 VAL 106 3HG1 VAL 106 1.020 20.186 -24.946 835 HG21 VAL 106 3HG2 VAL 106 -0.710 18.900 -22.734 836 HG22 VAL 106 1HG2 VAL 106 -1.869 18.459 -23.988 837 HG23 VAL 106 2HG2 VAL 106 -0.141 18.429 -24.335 838 H GLU 107 H GLU 107 -0.219 19.998 -20.992 839 HA GLU 107 HA GLU 107 2.646 20.409 -21.359 840 HB2 GLU 107 1HB GLU 107 1.993 22.266 -19.929 841 HB3 GLU 107 2HB GLU 107 1.168 21.165 -18.834 842 HG2 GLU 107 1HG GLU 107 3.119 20.371 -17.935 843 HG3 GLU 107 2HG GLU 107 4.065 20.757 -19.371 844 H THR 108 H THR 108 3.367 18.387 -21.436 845 HA THR 108 HA THR 108 2.272 16.424 -19.533 846 HB THR 108 HB THR 108 3.267 14.709 -21.113 847 HG1 THR 108 HG1 THR 108 3.686 15.480 -23.239 848 HG21 THR 108 3HG2 THR 108 0.886 15.102 -21.089 849 HG22 THR 108 1HG2 THR 108 1.417 14.928 -22.762 850 HG23 THR 108 2HG2 THR 108 1.073 16.529 -22.108 851 H ASP 109 H ASP 109 3.548 15.805 -17.926 852 HA ASP 109 HA ASP 109 6.093 16.756 -17.435 853 HB2 ASP 109 1HB ASP 109 6.188 15.271 -15.616 854 HB3 ASP 109 2HB ASP 109 4.465 15.552 -15.848 855 H MET 110 H MET 110 8.175 15.855 -17.575 856 HA MET 110 HA MET 110 8.623 13.398 -19.001 857 HB2 MET 110 1HB MET 110 9.956 14.497 -20.819 858 HB3 MET 110 2HB MET 110 8.220 14.761 -20.925 859 HG2 MET 110 1HG MET 110 8.382 16.981 -20.446 860 HG3 MET 110 2HG MET 110 9.851 16.781 -19.493 861 HE1 MET 110 3HE MET 110 9.411 19.001 -22.711 862 HE2 MET 110 1HE MET 110 9.100 17.615 -23.758 863 HE3 MET 110 2HE MET 110 8.153 17.839 -22.287 Start of MODEL 20 1 H MET 1 H MET 1 -0.814 -0.726 1.568 2 HA MET 1 HA MET 1 -0.672 1.793 0.509 3 HB2 MET 1 1HB MET 1 1.158 -0.061 0.912 4 HB3 MET 1 2HB MET 1 0.918 -0.374 -0.802 5 HG2 MET 1 1HG MET 1 1.802 1.635 -1.438 6 HG3 MET 1 2HG MET 1 1.385 2.424 0.082 7 HE1 MET 1 3HE MET 1 2.800 3.302 1.248 8 HE2 MET 1 1HE MET 1 3.635 2.246 2.387 9 HE3 MET 1 2HE MET 1 4.555 3.136 1.175 10 H THR 2 H THR 2 -2.572 2.210 -0.688 11 HA THR 2 HA THR 2 -2.939 0.771 -3.200 12 HB THR 2 HB THR 2 -4.659 3.084 -2.403 13 HG1 THR 2 HG1 THR 2 -4.884 0.456 -1.318 14 HG21 THR 2 3HG2 THR 2 -5.235 0.419 -3.703 15 HG22 THR 2 1HG2 THR 2 -5.031 1.954 -4.547 16 HG23 THR 2 2HG2 THR 2 -6.397 1.722 -3.457 17 H LEU 3 H LEU 3 -1.659 1.431 -4.809 18 HA LEU 3 HA LEU 3 -0.775 4.173 -5.013 19 HB2 LEU 3 1HB LEU 3 -0.253 1.656 -6.540 20 HB3 LEU 3 2HB LEU 3 0.205 3.215 -7.222 21 HG LEU 3 HG LEU 3 1.168 2.222 -4.545 22 HD11 LEU 3 1HD1 LEU 3 1.802 0.938 -6.780 23 HD12 LEU 3 2HD1 LEU 3 2.974 1.224 -5.494 24 HD13 LEU 3 3HD1 LEU 3 2.950 2.270 -6.913 25 HD21 LEU 3 3HD2 LEU 3 1.137 4.737 -5.344 26 HD22 LEU 3 1HD2 LEU 3 2.577 4.229 -6.227 27 HD23 LEU 3 2HD2 LEU 3 2.515 4.065 -4.472 28 H CYS 4 H CYS 4 -2.153 5.648 -5.759 29 HA CYS 4 HA CYS 4 -3.501 5.130 -8.300 30 HB2 CYS 4 1HB CYS 4 -5.569 6.273 -7.368 31 HB3 CYS 4 2HB CYS 4 -5.263 4.641 -6.786 32 HG CYS 4 HG CYS 4 -3.872 6.927 -4.819 33 H ALA 5 H ALA 5 -4.346 7.145 -9.292 34 HA ALA 5 HA ALA 5 -2.716 9.472 -8.500 35 HB1 ALA 5 3HB ALA 5 -3.380 9.720 -11.223 36 HB2 ALA 5 1HB ALA 5 -1.793 9.418 -10.515 37 HB3 ALA 5 2HB ALA 5 -2.820 8.065 -10.988 38 H MET 6 H MET 6 -3.612 11.574 -9.035 39 HA MET 6 HA MET 6 -6.537 11.567 -8.803 40 HB2 MET 6 1HB MET 6 -4.377 13.381 -7.869 41 HB3 MET 6 2HB MET 6 -5.914 14.120 -8.297 42 HG2 MET 6 1HG MET 6 -5.885 13.665 -5.947 43 HG3 MET 6 2HG MET 6 -7.049 12.597 -6.728 44 HE1 MET 6 3HE MET 6 -6.656 9.673 -5.207 45 HE2 MET 6 1HE MET 6 -6.216 10.731 -3.866 46 HE3 MET 6 2HE MET 6 -7.393 11.269 -5.064 47 H TYR 7 H TYR 7 -7.831 12.524 -10.284 48 HA TYR 7 HA TYR 7 -6.532 13.931 -12.522 49 HB2 TYR 7 1HB TYR 7 -7.419 11.491 -12.905 50 HB3 TYR 7 2HB TYR 7 -8.991 12.279 -12.966 51 HD1 TYR 7 HD2 TYR 7 -9.186 14.299 -14.608 52 HD2 TYR 7 HD1 TYR 7 -6.146 11.331 -14.839 53 HE1 TYR 7 HE2 TYR 7 -8.808 14.878 -16.968 54 HE2 TYR 7 HE1 TYR 7 -5.759 11.903 -17.200 55 HH TYR 7 HH TYR 7 -7.569 13.169 -19.106 56 H ASN 8 H ASN 8 -7.113 15.994 -12.249 57 HA ASN 8 HA ASN 8 -9.784 16.657 -11.297 58 HB2 ASN 8 1HB ASN 8 -7.894 17.860 -10.320 59 HB3 ASN 8 2HB ASN 8 -7.404 18.421 -11.915 60 HD21 ASN 8 1HD2 ASN 8 -7.620 20.571 -11.543 61 HD22 ASN 8 2HD2 ASN 8 -9.134 21.345 -11.234 62 H ILE 9 H ILE 9 -11.098 16.141 -13.042 63 HA ILE 9 HA ILE 9 -10.579 17.488 -15.589 64 HB ILE 9 HB ILE 9 -11.142 15.094 -15.668 65 HG12 ILE 9 1HG1 ILE 9 -13.275 16.894 -16.840 66 HG13 ILE 9 2HG1 ILE 9 -11.711 16.543 -17.567 67 HG21 ILE 9 1HG2 ILE 9 -12.609 15.102 -13.666 68 HG22 ILE 9 2HG2 ILE 9 -13.851 15.906 -14.626 69 HG23 ILE 9 3HG2 ILE 9 -13.319 14.280 -15.055 70 HD11 ILE 9 3HD1 ILE 9 -13.002 14.080 -17.016 71 HD12 ILE 9 1HD1 ILE 9 -14.143 15.136 -17.847 72 HD13 ILE 9 2HD1 ILE 9 -12.576 14.783 -18.576 73 H SER 10 H SER 10 -11.697 19.211 -16.253 74 HA SER 10 HA SER 10 -14.223 19.871 -14.905 75 HB2 SER 10 1HB SER 10 -12.316 22.072 -15.610 76 HB3 SER 10 2HB SER 10 -13.593 22.046 -14.394 77 HG SER 10 HG SER 10 -11.036 21.605 -14.021 78 H MET 11 H MET 11 -15.713 19.794 -16.449 79 HA MET 11 HA MET 11 -15.163 20.108 -19.209 80 HB2 MET 11 1HB MET 11 -17.129 18.887 -17.976 81 HB3 MET 11 2HB MET 11 -17.918 20.455 -18.087 82 HG2 MET 11 1HG MET 11 -16.720 19.451 -20.579 83 HG3 MET 11 2HG MET 11 -18.095 18.538 -19.961 84 HE1 MET 11 3HE MET 11 -20.783 20.165 -21.679 85 HE2 MET 11 1HE MET 11 -19.397 19.590 -22.607 86 HE3 MET 11 2HE MET 11 -19.900 18.732 -21.151 87 H ALA 12 H ALA 12 -15.957 21.749 -20.642 88 HA ALA 12 HA ALA 12 -15.281 24.338 -19.967 89 HB1 ALA 12 3HB ALA 12 -16.607 25.002 -21.998 90 HB2 ALA 12 1HB ALA 12 -15.404 23.739 -22.259 91 HB3 ALA 12 2HB ALA 12 -17.112 23.318 -22.126 92 H GLY 13 H GLY 13 -16.147 25.422 -18.300 93 HA2 GLY 13 1HA GLY 13 -17.744 26.767 -17.283 94 HA3 GLY 13 2HA GLY 13 -18.927 26.191 -18.448 95 H SER 14 H SER 14 -16.908 24.391 -16.146 96 HA SER 14 HA SER 14 -19.203 23.773 -14.492 97 HB2 SER 14 1HB SER 14 -17.734 21.517 -15.873 98 HB3 SER 14 2HB SER 14 -19.126 21.381 -14.799 99 HG SER 14 HG SER 14 -19.012 22.039 -17.470 100 H HIS 15 H HIS 15 -18.646 23.173 -12.439 101 HA HIS 15 HA HIS 15 -16.192 23.888 -11.402 102 HB2 HIS 15 1HB HIS 15 -16.871 22.398 -9.428 103 HB3 HIS 15 2HB HIS 15 -17.972 23.699 -9.871 104 HD1 HIS 15 HD1 HIS 15 -17.679 20.192 -11.319 105 HD2 HIS 15 HD2 HIS 15 -20.428 22.657 -9.412 106 HE1 HIS 15 HE1 HIS 15 -19.836 18.899 -11.291 107 HA PRO 16 HA PRO 16 -13.353 20.637 -12.188 108 HB2 PRO 16 1HB PRO 16 -11.903 20.600 -9.893 109 HB3 PRO 16 2HB PRO 16 -11.775 21.896 -11.088 110 HG2 PRO 16 1HG PRO 16 -13.320 21.830 -8.525 111 HG3 PRO 16 2HG PRO 16 -12.333 23.138 -9.203 112 HD2 PRO 16 1HD PRO 16 -15.035 23.108 -9.383 113 HD3 PRO 16 2HD PRO 16 -14.002 23.823 -10.638 114 H THR 17 H THR 17 -13.236 18.461 -12.023 115 HA THR 17 HA THR 17 -14.660 17.193 -9.773 116 HB THR 17 HB THR 17 -14.448 16.229 -12.632 117 HG1 THR 17 HG1 THR 17 -16.688 16.617 -12.634 118 HG21 THR 17 3HG2 THR 17 -14.705 14.187 -11.750 119 HG22 THR 17 1HG2 THR 17 -16.343 14.695 -11.340 120 HG23 THR 17 2HG2 THR 17 -15.052 14.833 -10.146 121 H THR 18 H THR 18 -13.384 16.077 -8.467 122 HA THR 18 HA THR 18 -10.723 15.297 -9.336 123 HB THR 18 HB THR 18 -11.739 14.606 -6.619 124 HG1 THR 18 HG1 THR 18 -12.257 16.616 -6.244 125 HG21 THR 18 3HG2 THR 18 -9.298 14.483 -7.820 126 HG22 THR 18 1HG2 THR 18 -9.552 14.572 -6.078 127 HG23 THR 18 2HG2 THR 18 -9.202 16.038 -6.994 128 H ILE 19 H ILE 19 -10.622 13.459 -10.471 129 HA ILE 19 HA ILE 19 -12.236 11.166 -9.580 130 HB ILE 19 HB ILE 19 -10.812 11.382 -12.224 131 HG12 ILE 19 1HG1 ILE 19 -13.661 12.172 -11.575 132 HG13 ILE 19 2HG1 ILE 19 -12.365 13.273 -12.029 133 HG21 ILE 19 1HG2 ILE 19 -11.955 9.241 -11.001 134 HG22 ILE 19 2HG2 ILE 19 -13.298 9.851 -11.966 135 HG23 ILE 19 3HG2 ILE 19 -11.775 9.423 -12.745 136 HD11 ILE 19 3HD1 ILE 19 -13.915 12.783 -13.872 137 HD12 ILE 19 1HD1 ILE 19 -12.256 12.304 -14.227 138 HD13 ILE 19 2HD1 ILE 19 -13.451 11.084 -13.783 139 H CYS 20 H CYS 20 -11.218 9.637 -8.483 140 HA CYS 20 HA CYS 20 -8.308 9.506 -8.544 141 HB2 CYS 20 1HB CYS 20 -9.309 9.500 -6.350 142 HB3 CYS 20 2HB CYS 20 -10.363 8.160 -6.784 143 HG CYS 20 HG CYS 20 -8.801 6.387 -5.805 144 H VAL 21 H VAL 21 -7.304 8.177 -9.886 145 HA VAL 21 HA VAL 21 -8.606 5.629 -10.588 146 HB VAL 21 HB VAL 21 -6.874 7.218 -12.478 147 HG11 VAL 21 1HG1 VAL 21 -8.825 5.108 -13.278 148 HG12 VAL 21 2HG1 VAL 21 -7.334 5.623 -14.070 149 HG13 VAL 21 3HG1 VAL 21 -7.263 4.633 -12.612 150 HG21 VAL 21 3HG2 VAL 21 -9.821 7.282 -12.014 151 HG22 VAL 21 1HG2 VAL 21 -8.709 8.603 -12.374 152 HG23 VAL 21 2HG2 VAL 21 -9.198 7.488 -13.650 153 H VAL 22 H VAL 22 -7.431 3.893 -10.123 154 HA VAL 22 HA VAL 22 -5.004 3.925 -8.810 155 HB VAL 22 HB VAL 22 -4.787 1.523 -9.446 156 HG11 VAL 22 1HG1 VAL 22 -7.628 1.766 -8.704 157 HG12 VAL 22 2HG1 VAL 22 -6.307 0.928 -7.888 158 HG13 VAL 22 3HG1 VAL 22 -6.493 2.673 -7.705 159 HG21 VAL 22 3HG2 VAL 22 -7.149 2.211 -11.175 160 HG22 VAL 22 1HG2 VAL 22 -5.632 1.443 -11.644 161 HG23 VAL 22 2HG2 VAL 22 -6.801 0.560 -10.661 162 H MET 23 H MET 23 -2.867 3.610 -9.397 163 HA MET 23 HA MET 23 -1.983 4.802 -11.763 164 HB2 MET 23 1HB MET 23 0.236 4.010 -11.152 165 HB3 MET 23 2HB MET 23 -0.607 4.611 -9.731 166 HG2 MET 23 1HG MET 23 -0.812 2.531 -8.798 167 HG3 MET 23 2HG MET 23 -0.743 1.708 -10.355 168 HE1 MET 23 3HE MET 23 2.621 0.585 -10.812 169 HE2 MET 23 1HE MET 23 1.462 -0.185 -9.729 170 HE3 MET 23 2HE MET 23 0.902 0.600 -11.206 171 H ASP 24 H ASP 24 -3.015 1.584 -11.128 172 HA ASP 24 HA ASP 24 -1.646 0.331 -13.306 173 HB2 ASP 24 1HB ASP 24 -2.558 -0.825 -11.231 174 HB3 ASP 24 2HB ASP 24 -4.155 -0.670 -11.959 175 H ARG 25 H ARG 25 -4.483 2.234 -13.001 176 HA ARG 25 HA ARG 25 -5.244 1.546 -15.764 177 HB2 ARG 25 1HB ARG 25 -6.915 2.070 -13.343 178 HB3 ARG 25 2HB ARG 25 -7.539 2.540 -14.918 179 HG2 ARG 25 1HG ARG 25 -8.363 0.359 -14.354 180 HG3 ARG 25 2HG ARG 25 -7.225 0.218 -15.697 181 HD2 ARG 25 1HD ARG 25 -5.560 -0.704 -14.342 182 HD3 ARG 25 2HD ARG 25 -6.329 -0.140 -12.859 183 HE ARG 25 HE ARG 25 -6.827 -2.593 -14.214 184 HH11 ARG 25 1HH1 ARG 25 -8.332 -0.115 -12.288 185 HH12 ARG 25 2HH1 ARG 25 -9.556 -1.166 -11.656 186 HH21 ARG 25 1HH2 ARG 25 -8.433 -3.987 -13.389 187 HH22 ARG 25 2HH2 ARG 25 -9.612 -3.369 -12.282 188 H PHE 26 H PHE 26 -3.446 3.656 -14.479 189 HA PHE 26 HA PHE 26 -4.650 6.182 -14.779 190 HB2 PHE 26 1HB PHE 26 -2.555 5.874 -13.554 191 HB3 PHE 26 2HB PHE 26 -1.740 5.397 -15.040 192 HD1 PHE 26 HD2 PHE 26 -1.364 7.068 -16.828 193 HD2 PHE 26 HD1 PHE 26 -2.900 8.150 -13.009 194 HE1 PHE 26 HE2 PHE 26 -0.787 9.420 -17.266 195 HE2 PHE 26 HE1 PHE 26 -2.327 10.503 -13.441 196 HZ PHE 26 HZ PHE 26 -1.267 11.140 -15.571 197 H LEU 27 H LEU 27 -2.447 4.449 -16.985 198 HA LEU 27 HA LEU 27 -2.561 6.240 -19.105 199 HB2 LEU 27 1HB LEU 27 -0.944 4.444 -19.010 200 HB3 LEU 27 2HB LEU 27 -2.228 3.244 -19.147 201 HG LEU 27 HG LEU 27 -2.578 3.713 -21.417 202 HD11 LEU 27 1HD1 LEU 27 -1.358 6.316 -20.740 203 HD12 LEU 27 2HD1 LEU 27 -2.702 5.933 -21.816 204 HD13 LEU 27 3HD1 LEU 27 -1.042 5.692 -22.360 205 HD21 LEU 27 3HD2 LEU 27 0.386 3.955 -20.906 206 HD22 LEU 27 1HD2 LEU 27 -0.361 3.489 -22.435 207 HD23 LEU 27 2HD2 LEU 27 -0.534 2.453 -21.017 208 H GLU 28 H GLU 28 -4.536 3.324 -18.571 209 HA GLU 28 HA GLU 28 -6.131 3.531 -20.846 210 HB2 GLU 28 1HB GLU 28 -6.969 2.468 -18.143 211 HB3 GLU 28 2HB GLU 28 -7.715 2.091 -19.690 212 HG2 GLU 28 1HG GLU 28 -4.844 1.465 -19.080 213 HG3 GLU 28 2HG GLU 28 -6.163 0.351 -18.728 214 H SER 29 H SER 29 -6.587 4.917 -17.618 215 HA SER 29 HA SER 29 -9.123 6.004 -17.970 216 HB2 SER 29 1HB SER 29 -8.372 6.101 -15.773 217 HB3 SER 29 2HB SER 29 -6.785 6.716 -16.234 218 HG SER 29 HG SER 29 -9.220 8.085 -15.960 219 H PHE 30 H PHE 30 -5.956 7.527 -18.534 220 HA PHE 30 HA PHE 30 -6.922 9.991 -19.448 221 HB2 PHE 30 1HB PHE 30 -4.536 9.398 -18.797 222 HB3 PHE 30 2HB PHE 30 -4.372 8.688 -20.400 223 HD1 PHE 30 HD1 PHE 30 -6.070 11.813 -19.306 224 HD2 PHE 30 HD2 PHE 30 -2.926 10.053 -21.572 225 HE1 PHE 30 HE1 PHE 30 -5.497 14.024 -20.221 226 HE2 PHE 30 HE2 PHE 30 -2.348 12.261 -22.491 227 HZ PHE 30 HZ PHE 30 -3.633 14.250 -21.815 228 H SER 31 H SER 31 -6.132 7.019 -21.199 229 HA SER 31 HA SER 31 -6.437 7.948 -23.803 230 HB2 SER 31 1HB SER 31 -5.522 5.748 -23.367 231 HB3 SER 31 2HB SER 31 -7.043 5.215 -22.652 232 HG SER 31 HG SER 31 -7.911 5.022 -24.593 233 H GLU 32 H GLU 32 -8.875 6.526 -21.639 234 HA GLU 32 HA GLU 32 -11.015 6.853 -23.497 235 HB2 GLU 32 1HB GLU 32 -11.115 6.428 -20.505 236 HB3 GLU 32 2HB GLU 32 -12.466 6.245 -21.614 237 HG2 GLU 32 1HG GLU 32 -9.969 4.573 -21.513 238 HG3 GLU 32 2HG GLU 32 -11.600 4.083 -21.058 239 H LEU 33 H LEU 33 -9.599 8.823 -20.997 240 HA LEU 33 HA LEU 33 -11.694 10.632 -20.570 241 HB2 LEU 33 1HB LEU 33 -9.419 10.338 -19.358 242 HB3 LEU 33 2HB LEU 33 -8.825 11.484 -20.559 243 HG LEU 33 HG LEU 33 -9.391 12.548 -18.411 244 HD11 LEU 33 1HD1 LEU 33 -10.147 14.435 -19.405 245 HD12 LEU 33 2HD1 LEU 33 -11.453 13.603 -20.249 246 HD13 LEU 33 3HD1 LEU 33 -9.804 13.510 -20.867 247 HD21 LEU 33 3HD2 LEU 33 -11.641 10.886 -18.535 248 HD22 LEU 33 1HD2 LEU 33 -12.249 12.533 -18.707 249 HD23 LEU 33 2HD2 LEU 33 -11.265 12.098 -17.309 250 H TYR 34 H TYR 34 -8.949 10.811 -22.828 251 HA TYR 34 HA TYR 34 -9.530 13.266 -23.983 252 HB2 TYR 34 1HB TYR 34 -7.438 12.249 -24.480 253 HB3 TYR 34 2HB TYR 34 -8.211 10.801 -25.115 254 HD1 TYR 34 HD1 TYR 34 -8.279 14.487 -25.769 255 HD2 TYR 34 HD2 TYR 34 -8.167 10.559 -27.402 256 HE1 TYR 34 HE1 TYR 34 -8.185 15.438 -28.036 257 HE2 TYR 34 HE2 TYR 34 -8.071 11.499 -29.672 258 HH TYR 34 HH TYR 34 -8.781 14.690 -30.372 259 H ASP 35 H ASP 35 -11.169 10.266 -24.282 260 HA ASP 35 HA ASP 35 -12.505 10.978 -26.758 261 HB2 ASP 35 1HB ASP 35 -12.105 8.566 -25.219 262 HB3 ASP 35 2HB ASP 35 -13.811 8.776 -25.602 263 H ILE 36 H ILE 36 -13.435 10.405 -23.370 264 HA ILE 36 HA ILE 36 -16.128 11.250 -23.742 265 HB ILE 36 HB ILE 36 -15.484 9.746 -21.911 266 HG12 ILE 36 1HG1 ILE 36 -16.529 12.319 -20.733 267 HG13 ILE 36 2HG1 ILE 36 -17.494 11.317 -21.812 268 HG21 ILE 36 1HG2 ILE 36 -14.522 11.398 -19.915 269 HG22 ILE 36 2HG2 ILE 36 -13.595 10.205 -20.823 270 HG23 ILE 36 3HG2 ILE 36 -13.614 11.890 -21.345 271 HD11 ILE 36 3HD1 ILE 36 -17.425 11.107 -19.101 272 HD12 ILE 36 1HD1 ILE 36 -17.952 9.840 -20.208 273 HD13 ILE 36 2HD1 ILE 36 -16.297 9.845 -19.597 274 H ILE 37 H ILE 37 -13.254 12.957 -23.627 275 HA ILE 37 HA ILE 37 -14.255 15.309 -22.286 276 HB ILE 37 HB ILE 37 -11.793 14.513 -22.432 277 HG12 ILE 37 1HG1 ILE 37 -11.105 17.053 -22.638 278 HG13 ILE 37 2HG1 ILE 37 -12.848 17.305 -22.650 279 HG21 ILE 37 1HG2 ILE 37 -11.558 16.285 -24.795 280 HG22 ILE 37 2HG2 ILE 37 -10.561 14.919 -24.297 281 HG23 ILE 37 3HG2 ILE 37 -12.122 14.636 -25.069 282 HD11 ILE 37 3HD1 ILE 37 -11.094 16.782 -20.446 283 HD12 ILE 37 1HD1 ILE 37 -12.791 17.261 -20.442 284 HD13 ILE 37 2HD1 ILE 37 -12.357 15.554 -20.532 285 H ASP 38 H ASP 38 -15.203 14.054 -25.037 286 HA ASP 38 HA ASP 38 -15.320 16.632 -26.461 287 HB2 ASP 38 1HB ASP 38 -15.136 13.811 -27.470 288 HB3 ASP 38 2HB ASP 38 -15.860 15.064 -28.473 289 H GLU 39 H GLU 39 -17.175 17.206 -25.186 290 HA GLU 39 HA GLU 39 -19.419 17.549 -24.986 291 HB2 GLU 39 1HB GLU 39 -19.280 17.147 -27.535 292 HB3 GLU 39 2HB GLU 39 -19.912 15.547 -27.174 293 HG2 GLU 39 1HG GLU 39 -21.758 16.886 -27.766 294 HG3 GLU 39 2HG GLU 39 -21.831 16.676 -26.017 295 H ASN 40 H ASN 40 -19.195 16.465 -22.939 296 HA ASN 40 HA ASN 40 -20.668 13.923 -22.881 297 HB2 ASN 40 1HB ASN 40 -18.397 13.269 -22.520 298 HB3 ASN 40 2HB ASN 40 -18.131 14.589 -21.385 299 HD21 ASN 40 1HD2 ASN 40 -19.845 11.566 -21.882 300 HD22 ASN 40 2HD2 ASN 40 -20.022 11.177 -20.208 301 H ASP 41 H ASP 41 -22.479 15.328 -22.410 302 HA ASP 41 HA ASP 41 -22.747 17.163 -20.407 303 HB2 ASP 41 1HB ASP 41 -24.669 15.102 -21.459 304 HB3 ASP 41 2HB ASP 41 -25.148 16.228 -20.192 305 H THR 42 H THR 42 -23.555 17.062 -18.235 306 HA THR 42 HA THR 42 -22.149 15.374 -16.548 307 HB THR 42 HB THR 42 -23.250 17.531 -15.885 308 HG1 THR 42 HG1 THR 42 -22.446 16.052 -14.309 309 HG21 THR 42 3HG2 THR 42 -25.722 16.142 -15.104 310 HG22 THR 42 1HG2 THR 42 -25.540 16.419 -16.836 311 HG23 THR 42 2HG2 THR 42 -25.486 17.779 -15.714 312 H ASP 43 H ASP 43 -25.160 14.853 -18.181 313 HA ASP 43 HA ASP 43 -26.352 12.902 -16.615 314 HB2 ASP 43 1HB ASP 43 -26.286 13.199 -19.622 315 HB3 ASP 43 2HB ASP 43 -27.326 12.055 -18.778 316 H VAL 44 H VAL 44 -23.893 12.515 -19.147 317 HA VAL 44 HA VAL 44 -23.649 9.676 -18.536 318 HB VAL 44 HB VAL 44 -22.132 11.322 -20.566 319 HG11 VAL 44 1HG1 VAL 44 -22.266 8.389 -19.960 320 HG12 VAL 44 2HG1 VAL 44 -21.845 8.970 -21.572 321 HG13 VAL 44 3HG1 VAL 44 -20.849 9.414 -20.185 322 HG21 VAL 44 3HG2 VAL 44 -24.768 9.960 -20.647 323 HG22 VAL 44 1HG2 VAL 44 -24.224 11.426 -21.462 324 HG23 VAL 44 2HG2 VAL 44 -23.742 9.844 -22.076 325 H MET 45 H MET 45 -22.046 12.678 -17.901 326 HA MET 45 HA MET 45 -19.450 11.888 -17.382 327 HB2 MET 45 1HB MET 45 -20.275 14.231 -17.339 328 HB3 MET 45 2HB MET 45 -21.051 13.903 -15.795 329 HG2 MET 45 1HG MET 45 -19.142 14.098 -14.653 330 HG3 MET 45 2HG MET 45 -18.211 13.224 -15.867 331 HE1 MET 45 3HE MET 45 -16.032 15.361 -15.394 332 HE2 MET 45 1HE MET 45 -16.378 14.098 -16.575 333 HE3 MET 45 2HE MET 45 -16.005 15.733 -17.118 334 H MET 46 H MET 46 -22.197 11.938 -15.115 335 HA MET 46 HA MET 46 -20.934 11.025 -12.844 336 HB2 MET 46 1HB MET 46 -23.273 11.768 -12.896 337 HB3 MET 46 2HB MET 46 -23.718 10.323 -13.793 338 HG2 MET 46 1HG MET 46 -24.325 9.751 -11.660 339 HG3 MET 46 2HG MET 46 -22.704 9.068 -11.762 340 HE1 MET 46 3HE MET 46 -22.606 8.975 -8.985 341 HE2 MET 46 1HE MET 46 -23.156 10.352 -8.031 342 HE3 MET 46 2HE MET 46 -24.276 9.529 -9.118 343 H ASP 47 H ASP 47 -22.322 9.105 -15.485 344 HA ASP 47 HA ASP 47 -21.879 6.569 -14.407 345 HB2 ASP 47 1HB ASP 47 -23.249 7.043 -16.430 346 HB3 ASP 47 2HB ASP 47 -21.764 7.341 -17.329 347 H PHE 48 H PHE 48 -19.771 8.612 -16.390 348 HA PHE 48 HA PHE 48 -17.670 6.741 -16.643 349 HB2 PHE 48 1HB PHE 48 -17.706 8.560 -18.173 350 HB3 PHE 48 2HB PHE 48 -17.765 9.747 -16.874 351 HD1 PHE 48 HD2 PHE 48 -15.616 7.335 -18.638 352 HD2 PHE 48 HD1 PHE 48 -15.787 10.512 -15.811 353 HE1 PHE 48 HE2 PHE 48 -13.164 7.527 -18.711 354 HE2 PHE 48 HE1 PHE 48 -13.335 10.710 -15.880 355 HZ PHE 48 HZ PHE 48 -12.021 9.216 -17.331 356 H ILE 49 H ILE 49 -18.160 9.455 -14.400 357 HA ILE 49 HA ILE 49 -15.787 9.269 -12.977 358 HB ILE 49 HB ILE 49 -18.511 10.027 -11.915 359 HG12 ILE 49 1HG1 ILE 49 -16.285 11.832 -12.869 360 HG13 ILE 49 2HG1 ILE 49 -17.615 11.319 -13.900 361 HG21 ILE 49 1HG2 ILE 49 -16.496 11.427 -10.567 362 HG22 ILE 49 2HG2 ILE 49 -17.541 10.162 -9.923 363 HG23 ILE 49 3HG2 ILE 49 -15.970 9.745 -10.607 364 HD11 ILE 49 3HD1 ILE 49 -17.984 12.791 -11.307 365 HD12 ILE 49 1HD1 ILE 49 -17.883 13.574 -12.883 366 HD13 ILE 49 2HD1 ILE 49 -19.201 12.454 -12.537 367 H SER 50 H SER 50 -18.872 7.612 -12.379 368 HA SER 50 HA SER 50 -17.856 6.159 -10.126 369 HB2 SER 50 1HB SER 50 -20.413 6.224 -11.659 370 HB3 SER 50 2HB SER 50 -20.070 4.788 -10.696 371 HG SER 50 HG SER 50 -20.062 5.995 -8.876 372 H ARG 51 H ARG 51 -17.934 5.688 -13.546 373 HA ARG 51 HA ARG 51 -17.659 2.859 -13.564 374 HB2 ARG 51 1HB ARG 51 -18.439 3.934 -15.553 375 HB3 ARG 51 2HB ARG 51 -17.026 4.979 -15.615 376 HG2 ARG 51 1HG ARG 51 -15.655 3.307 -16.410 377 HG3 ARG 51 2HG ARG 51 -16.682 2.020 -15.774 378 HD2 ARG 51 1HD ARG 51 -16.885 2.084 -18.173 379 HD3 ARG 51 2HD ARG 51 -18.400 2.619 -17.448 380 HE ARG 51 HE ARG 51 -17.050 4.931 -17.882 381 HH11 ARG 51 1HH1 ARG 51 -17.911 2.223 -19.893 382 HH12 ARG 51 2HH1 ARG 51 -18.019 3.167 -21.342 383 HH21 ARG 51 1HH2 ARG 51 -17.189 6.184 -19.782 384 HH22 ARG 51 2HH2 ARG 51 -17.607 5.420 -21.278 385 H PHE 52 H PHE 52 -15.325 5.524 -13.859 386 HA PHE 52 HA PHE 52 -13.102 3.652 -13.747 387 HB2 PHE 52 1HB PHE 52 -13.472 6.470 -14.510 388 HB3 PHE 52 2HB PHE 52 -11.965 6.138 -13.661 389 HD1 PHE 52 HD1 PHE 52 -10.434 4.357 -14.574 390 HD2 PHE 52 HD2 PHE 52 -13.738 5.908 -16.764 391 HE1 PHE 52 HE1 PHE 52 -9.441 3.515 -16.662 392 HE2 PHE 52 HE2 PHE 52 -12.751 5.068 -18.855 393 HZ PHE 52 HZ PHE 52 -10.600 3.869 -18.806 394 H ALA 53 H ALA 53 -14.240 6.469 -11.887 395 HA ALA 53 HA ALA 53 -12.438 5.857 -9.707 396 HB1 ALA 53 3HB ALA 53 -14.335 7.817 -8.938 397 HB2 ALA 53 1HB ALA 53 -12.632 8.034 -9.340 398 HB3 ALA 53 2HB ALA 53 -13.858 8.149 -10.603 399 H ARG 54 H ARG 54 -12.923 4.824 -7.858 400 HA ARG 54 HA ARG 54 -15.405 3.398 -7.683 401 HB2 ARG 54 1HB ARG 54 -13.143 3.601 -5.686 402 HB3 ARG 54 2HB ARG 54 -14.461 2.438 -5.632 403 HG2 ARG 54 1HG ARG 54 -12.497 2.626 -7.902 404 HG3 ARG 54 2HG ARG 54 -12.301 1.553 -6.515 405 HD2 ARG 54 1HD ARG 54 -14.257 0.333 -7.071 406 HD3 ARG 54 2HD ARG 54 -14.749 1.537 -8.262 407 HE ARG 54 HE ARG 54 -12.219 0.381 -8.891 408 HH11 ARG 54 1HH1 ARG 54 -15.657 -0.147 -9.040 409 HH12 ARG 54 2HH1 ARG 54 -15.566 -1.214 -10.401 410 HH21 ARG 54 1HH2 ARG 54 -12.086 -1.023 -10.684 411 HH22 ARG 54 2HH2 ARG 54 -13.534 -1.713 -11.335 412 H THR 55 H THR 55 -14.343 6.445 -6.669 413 HA THR 55 HA THR 55 -15.158 8.030 -5.244 414 HB THR 55 HB THR 55 -17.495 8.391 -5.292 415 HG1 THR 55 HG1 THR 55 -18.316 6.454 -4.571 416 HG21 THR 55 3HG2 THR 55 -16.154 8.147 -7.556 417 HG22 THR 55 1HG2 THR 55 -17.891 8.450 -7.552 418 HG23 THR 55 2HG2 THR 55 -17.281 6.816 -7.812 419 H ASP 56 H ASP 56 -14.021 5.898 -3.886 420 HA ASP 56 HA ASP 56 -15.840 5.244 -1.696 421 HB2 ASP 56 1HB ASP 56 -14.152 3.680 -0.964 422 HB3 ASP 56 2HB ASP 56 -14.396 3.473 -2.696 423 H GLU 57 H GLU 57 -14.410 5.133 0.504 424 HA GLU 57 HA GLU 57 -14.102 7.840 1.274 425 HB2 GLU 57 1HB GLU 57 -13.751 5.193 2.583 426 HB3 GLU 57 2HB GLU 57 -12.962 6.574 3.333 427 HG2 GLU 57 1HG GLU 57 -15.016 7.687 3.672 428 HG3 GLU 57 2HG GLU 57 -15.880 6.558 2.629 429 H ILE 58 H ILE 58 -12.206 8.895 2.069 430 HA ILE 58 HA ILE 58 -9.785 8.060 0.633 431 HB ILE 58 HB ILE 58 -10.431 10.756 1.833 432 HG12 ILE 58 1HG1 ILE 58 -10.385 11.236 -0.792 433 HG13 ILE 58 2HG1 ILE 58 -10.899 9.554 -0.853 434 HG21 ILE 58 1HG2 ILE 58 -8.156 9.807 0.101 435 HG22 ILE 58 2HG2 ILE 58 -8.509 11.503 0.432 436 HG23 ILE 58 3HG2 ILE 58 -8.063 10.421 1.752 437 HD11 ILE 58 3HD1 ILE 58 -12.407 11.058 1.097 438 HD12 ILE 58 1HD1 ILE 58 -12.511 11.772 -0.512 439 HD13 ILE 58 2HD1 ILE 58 -12.967 10.086 -0.263 440 H MET 59 H MET 59 -8.019 7.417 1.693 441 HA MET 59 HA MET 59 -7.720 8.105 4.527 442 HB2 MET 59 1HB MET 59 -7.954 5.381 3.350 443 HB3 MET 59 2HB MET 59 -6.787 5.608 4.645 444 HG2 MET 59 1HG MET 59 -8.830 6.766 5.829 445 HG3 MET 59 2HG MET 59 -9.751 5.764 4.709 446 HE1 MET 59 3HE MET 59 -10.956 4.552 6.611 447 HE2 MET 59 1HE MET 59 -10.499 3.404 5.352 448 HE3 MET 59 2HE MET 59 -10.311 2.970 7.051 449 HA PRO 60 HA PRO 60 -3.484 8.784 3.611 450 HB2 PRO 60 1HB PRO 60 -2.244 7.884 5.852 451 HB3 PRO 60 2HB PRO 60 -3.197 9.372 5.813 452 HG2 PRO 60 1HG PRO 60 -3.976 6.648 6.778 453 HG3 PRO 60 2HG PRO 60 -4.298 8.229 7.513 454 HD2 PRO 60 1HD PRO 60 -6.157 6.887 6.072 455 HD3 PRO 60 2HD PRO 60 -6.075 8.660 6.109 456 H GLU 61 H GLU 61 -4.586 5.585 4.250 457 HA GLU 61 HA GLU 61 -2.253 4.090 4.014 458 HB2 GLU 61 1HB GLU 61 -5.103 3.500 3.241 459 HB3 GLU 61 2HB GLU 61 -3.824 2.312 3.039 460 HG2 GLU 61 1HG GLU 61 -3.336 2.715 5.526 461 HG3 GLU 61 2HG GLU 61 -4.927 3.471 5.567 462 H ASP 62 H ASP 62 -4.435 5.272 1.479 463 HA ASP 62 HA ASP 62 -3.046 4.100 -0.685 464 HB2 ASP 62 1HB ASP 62 -4.311 5.732 -2.080 465 HB3 ASP 62 2HB ASP 62 -5.333 4.830 -0.965 466 H LYS 63 H LYS 63 -2.087 5.519 -2.476 467 HA LYS 63 HA LYS 63 -0.527 7.758 -1.433 468 HB2 LYS 63 1HB LYS 63 0.814 5.652 -1.152 469 HB3 LYS 63 2HB LYS 63 0.770 5.456 -2.900 470 HG2 LYS 63 1HG LYS 63 2.171 7.251 -3.272 471 HG3 LYS 63 2HG LYS 63 1.802 7.994 -1.714 472 HD2 LYS 63 1HD LYS 63 3.256 5.371 -1.949 473 HD3 LYS 63 2HD LYS 63 4.096 6.924 -1.959 474 HE2 LYS 63 1HE LYS 63 2.145 6.342 0.220 475 HE3 LYS 63 2HE LYS 63 3.740 5.593 0.278 476 HZ1 LYS 63 3HZ LYS 63 4.528 7.478 1.093 477 HZ2 LYS 63 1HZ LYS 63 3.013 8.221 0.962 478 HZ3 LYS 63 2HZ LYS 63 4.102 8.286 -0.331 479 H THR 64 H THR 64 0.158 9.226 -2.997 480 HA THR 64 HA THR 64 -1.368 9.161 -5.452 481 HB THR 64 HB THR 64 0.632 11.310 -4.999 482 HG1 THR 64 HG1 THR 64 -1.780 11.418 -3.542 483 HG21 THR 64 3HG2 THR 64 -2.197 11.944 -5.441 484 HG22 THR 64 1HG2 THR 64 -1.474 10.946 -6.702 485 HG23 THR 64 2HG2 THR 64 -0.763 12.509 -6.297 486 H VAL 65 H VAL 65 -0.646 8.488 -7.360 487 HA VAL 65 HA VAL 65 2.231 7.980 -7.671 488 HB VAL 65 HB VAL 65 -0.027 6.917 -9.371 489 HG11 VAL 65 1HG1 VAL 65 1.845 6.704 -10.688 490 HG12 VAL 65 2HG1 VAL 65 2.927 6.509 -9.307 491 HG13 VAL 65 3HG1 VAL 65 1.881 5.178 -9.805 492 HG21 VAL 65 3HG2 VAL 65 -0.482 5.461 -7.757 493 HG22 VAL 65 1HG2 VAL 65 1.178 4.870 -7.841 494 HG23 VAL 65 2HG2 VAL 65 0.762 6.176 -6.731 495 H GLY 66 H GLY 66 -0.257 10.061 -8.680 496 HA2 GLY 66 1HA GLY 66 1.403 11.719 -10.188 497 HA3 GLY 66 2HA GLY 66 0.583 10.649 -11.316 498 H PHE 67 H PHE 67 0.282 13.448 -11.295 499 HA PHE 67 HA PHE 67 -2.573 13.638 -10.621 500 HB2 PHE 67 1HB PHE 67 -0.947 14.898 -9.039 501 HB3 PHE 67 2HB PHE 67 -0.757 16.020 -10.382 502 HD1 PHE 67 HD1 PHE 67 -3.017 16.888 -11.416 503 HD2 PHE 67 HD2 PHE 67 -2.589 15.306 -7.488 504 HE1 PHE 67 HE1 PHE 67 -5.063 18.066 -10.722 505 HE2 PHE 67 HE2 PHE 67 -4.634 16.481 -6.788 506 HZ PHE 67 HZ PHE 67 -5.874 17.862 -8.406 507 H VAL 68 H VAL 68 -3.851 14.549 -12.147 508 HA VAL 68 HA VAL 68 -2.546 15.788 -14.475 509 HB VAL 68 HB VAL 68 -4.801 13.780 -14.580 510 HG11 VAL 68 1HG1 VAL 68 -4.456 14.001 -17.065 511 HG12 VAL 68 2HG1 VAL 68 -5.196 15.394 -16.275 512 HG13 VAL 68 3HG1 VAL 68 -3.491 15.437 -16.725 513 HG21 VAL 68 3HG2 VAL 68 -2.007 13.565 -15.692 514 HG22 VAL 68 1HG2 VAL 68 -2.527 12.848 -14.167 515 HG23 VAL 68 2HG2 VAL 68 -3.253 12.318 -15.684 516 H VAL 69 H VAL 69 -3.219 17.821 -14.581 517 HA VAL 69 HA VAL 69 -5.883 18.523 -13.596 518 HB VAL 69 HB VAL 69 -3.696 20.395 -14.503 519 HG11 VAL 69 1HG1 VAL 69 -5.055 22.089 -13.963 520 HG12 VAL 69 2HG1 VAL 69 -6.352 20.896 -14.050 521 HG13 VAL 69 3HG1 VAL 69 -5.617 21.290 -12.495 522 HG21 VAL 69 3HG2 VAL 69 -3.841 18.771 -12.148 523 HG22 VAL 69 1HG2 VAL 69 -2.585 19.905 -12.644 524 HG23 VAL 69 2HG2 VAL 69 -3.966 20.473 -11.704 525 H VAL 70 H VAL 70 -7.498 18.572 -15.003 526 HA VAL 70 HA VAL 70 -6.944 19.479 -17.753 527 HB VAL 70 HB VAL 70 -8.911 17.354 -16.890 528 HG11 VAL 70 1HG1 VAL 70 -8.756 17.300 -19.637 529 HG12 VAL 70 2HG1 VAL 70 -10.074 17.991 -18.688 530 HG13 VAL 70 3HG1 VAL 70 -8.768 19.025 -19.270 531 HG21 VAL 70 3HG2 VAL 70 -7.449 16.030 -18.575 532 HG22 VAL 70 1HG2 VAL 70 -6.254 17.288 -18.263 533 HG23 VAL 70 2HG2 VAL 70 -6.851 16.291 -16.936 534 H ASN 71 H ASN 71 -7.813 21.426 -18.010 535 HA ASN 71 HA ASN 71 -10.508 21.906 -16.923 536 HB2 ASN 71 1HB ASN 71 -8.195 23.851 -17.069 537 HB3 ASN 71 2HB ASN 71 -9.845 24.299 -16.646 538 HD21 ASN 71 1HD2 ASN 71 -8.358 25.035 -14.776 539 HD22 ASN 71 2HD2 ASN 71 -8.260 23.938 -13.445 540 H ALA 72 H ALA 72 -11.834 21.879 -18.621 541 HA ALA 72 HA ALA 72 -11.010 22.598 -21.262 542 HB1 ALA 72 3HB ALA 72 -13.646 21.851 -20.039 543 HB2 ALA 72 1HB ALA 72 -13.520 22.378 -21.717 544 HB3 ALA 72 2HB ALA 72 -12.655 20.939 -21.177 545 H ASP 73 H ASP 73 -12.568 24.246 -18.618 546 HA ASP 73 HA ASP 73 -13.703 26.390 -20.052 547 HB2 ASP 73 1HB ASP 73 -14.324 25.904 -17.738 548 HB3 ASP 73 2HB ASP 73 -12.693 26.297 -17.201 549 H LYS 74 H LYS 74 -10.605 26.155 -18.308 550 HA LYS 74 HA LYS 74 -9.720 28.662 -19.494 551 HB2 LYS 74 1HB LYS 74 -8.285 26.813 -17.580 552 HB3 LYS 74 2HB LYS 74 -7.766 28.429 -18.041 553 HG2 LYS 74 1HG LYS 74 -10.359 27.840 -16.635 554 HG3 LYS 74 2HG LYS 74 -8.862 28.279 -15.810 555 HD2 LYS 74 1HD LYS 74 -9.974 30.003 -17.994 556 HD3 LYS 74 2HD LYS 74 -10.585 30.131 -16.343 557 HE2 LYS 74 1HE LYS 74 -8.922 31.692 -16.257 558 HE3 LYS 74 2HE LYS 74 -8.008 30.262 -15.780 559 HZ1 LYS 74 3HZ LYS 74 -6.798 30.324 -17.642 560 HZ2 LYS 74 1HZ LYS 74 -7.322 31.927 -17.777 561 HZ3 LYS 74 2HZ LYS 74 -8.120 30.703 -18.628 562 H LYS 75 H LYS 75 -9.742 25.467 -20.370 563 HA LYS 75 HA LYS 75 -8.670 24.241 -21.959 564 HB2 LYS 75 1HB LYS 75 -8.121 27.056 -22.804 565 HB3 LYS 75 2HB LYS 75 -7.299 25.744 -23.638 566 HG2 LYS 75 1HG LYS 75 -9.401 24.771 -24.286 567 HG3 LYS 75 2HG LYS 75 -10.286 25.965 -23.334 568 HD2 LYS 75 1HD LYS 75 -9.195 27.731 -24.784 569 HD3 LYS 75 2HD LYS 75 -8.657 26.413 -25.827 570 HE2 LYS 75 1HE LYS 75 -11.055 25.709 -26.015 571 HE3 LYS 75 2HE LYS 75 -11.493 27.187 -25.161 572 HZ1 LYS 75 3HZ LYS 75 -11.172 28.416 -26.981 573 HZ2 LYS 75 1HZ LYS 75 -11.249 26.959 -27.836 574 HZ3 LYS 75 2HZ LYS 75 -9.748 27.612 -27.412 575 H LEU 76 H LEU 76 -7.404 23.804 -19.793 576 HA LEU 76 HA LEU 76 -4.552 24.110 -20.442 577 HB2 LEU 76 1HB LEU 76 -5.610 24.100 -17.630 578 HB3 LEU 76 2HB LEU 76 -3.982 24.491 -18.179 579 HG LEU 76 HG LEU 76 -6.428 26.172 -18.722 580 HD11 LEU 76 1HD1 LEU 76 -6.175 27.137 -16.742 581 HD12 LEU 76 2HD1 LEU 76 -4.451 27.379 -17.024 582 HD13 LEU 76 3HD1 LEU 76 -5.025 25.867 -16.321 583 HD21 LEU 76 3HD2 LEU 76 -3.630 27.159 -18.921 584 HD22 LEU 76 1HD2 LEU 76 -5.074 27.663 -19.799 585 HD23 LEU 76 2HD2 LEU 76 -4.262 26.159 -20.230 586 H MET 77 H MET 77 -3.519 22.234 -20.599 587 HA MET 77 HA MET 77 -4.662 19.889 -19.228 588 HB2 MET 77 1HB MET 77 -4.642 20.167 -21.900 589 HB3 MET 77 2HB MET 77 -3.041 19.473 -21.679 590 HG2 MET 77 1HG MET 77 -5.606 18.259 -20.678 591 HG3 MET 77 2HG MET 77 -4.763 17.789 -22.152 592 HE1 MET 77 3HE MET 77 -1.374 16.420 -20.688 593 HE2 MET 77 1HE MET 77 -2.245 16.911 -22.141 594 HE3 MET 77 2HE MET 77 -1.668 18.130 -21.005 595 H SER 78 H SER 78 -3.372 19.200 -17.665 596 HA SER 78 HA SER 78 -0.465 19.241 -18.112 597 HB2 SER 78 1HB SER 78 -1.905 20.047 -15.575 598 HB3 SER 78 2HB SER 78 -0.161 19.818 -15.705 599 HG SER 78 HG SER 78 -1.697 21.673 -17.210 600 H VAL 79 H VAL 79 0.487 17.341 -17.776 601 HA VAL 79 HA VAL 79 -0.866 15.365 -16.063 602 HB VAL 79 HB VAL 79 -0.100 13.583 -17.629 603 HG11 VAL 79 1HG1 VAL 79 -2.165 15.604 -18.235 604 HG12 VAL 79 2HG1 VAL 79 -1.759 14.485 -19.539 605 HG13 VAL 79 3HG1 VAL 79 -2.315 13.865 -17.984 606 HG21 VAL 79 3HG2 VAL 79 0.652 15.965 -19.305 607 HG22 VAL 79 1HG2 VAL 79 1.667 14.610 -18.812 608 HG23 VAL 79 2HG2 VAL 79 0.380 14.364 -19.992 609 H SER 80 H SER 80 0.397 14.637 -14.492 610 HA SER 80 HA SER 80 3.268 14.347 -14.949 611 HB2 SER 80 1HB SER 80 3.191 16.525 -13.961 612 HB3 SER 80 2HB SER 80 2.039 15.997 -12.734 613 HG SER 80 HG SER 80 4.482 14.660 -12.873 614 H PHE 81 H PHE 81 3.230 12.158 -14.776 615 HA PHE 81 HA PHE 81 2.327 11.060 -12.196 616 HB2 PHE 81 1HB PHE 81 1.950 8.902 -13.522 617 HB3 PHE 81 2HB PHE 81 0.786 10.200 -13.762 618 HD1 PHE 81 HD2 PHE 81 0.865 11.560 -15.828 619 HD2 PHE 81 HD1 PHE 81 3.311 8.118 -15.293 620 HE1 PHE 81 HE2 PHE 81 1.272 11.476 -18.253 621 HE2 PHE 81 HE1 PHE 81 3.722 8.029 -17.717 622 HZ PHE 81 HZ PHE 81 2.701 9.709 -19.200 623 H SER 82 H SER 82 3.381 8.850 -11.783 624 HA SER 82 HA SER 82 6.091 9.153 -11.406 625 HB2 SER 82 1HB SER 82 5.157 7.450 -10.130 626 HB3 SER 82 2HB SER 82 4.299 6.752 -11.503 627 HG SER 82 HG SER 82 5.935 5.475 -11.749 628 H ASP 83 H ASP 83 7.888 8.865 -12.584 629 HA ASP 83 HA ASP 83 7.831 8.796 -15.362 630 HB2 ASP 83 1HB ASP 83 10.170 7.839 -13.714 631 HB3 ASP 83 2HB ASP 83 10.203 8.624 -15.291 632 H ILE 84 H ILE 84 6.968 7.185 -16.508 633 HA ILE 84 HA ILE 84 7.536 4.414 -15.721 634 HB ILE 84 HB ILE 84 5.699 3.764 -17.189 635 HG12 ILE 84 1HG1 ILE 84 5.406 6.731 -17.710 636 HG13 ILE 84 2HG1 ILE 84 5.940 5.527 -18.878 637 HG21 ILE 84 1HG2 ILE 84 3.995 4.366 -15.758 638 HG22 ILE 84 2HG2 ILE 84 5.418 4.679 -14.766 639 HG23 ILE 84 3HG2 ILE 84 4.593 6.014 -15.570 640 HD11 ILE 84 3HD1 ILE 84 3.618 4.432 -18.272 641 HD12 ILE 84 1HD1 ILE 84 3.224 6.097 -17.842 642 HD13 ILE 84 2HD1 ILE 84 3.761 5.711 -19.478 643 H ASP 85 H ASP 85 7.315 3.004 -17.950 644 HA ASP 85 HA ASP 85 9.767 3.165 -19.199 645 HB2 ASP 85 1HB ASP 85 7.268 2.064 -20.493 646 HB3 ASP 85 2HB ASP 85 8.933 1.586 -20.811 647 H GLU 86 H GLU 86 10.579 4.123 -21.011 648 HA GLU 86 HA GLU 86 9.474 6.558 -21.862 649 HB2 GLU 86 1HB GLU 86 11.222 6.489 -23.631 650 HB3 GLU 86 2HB GLU 86 11.847 6.184 -22.017 651 HG2 GLU 86 1HG GLU 86 11.771 3.750 -22.515 652 HG3 GLU 86 2HG GLU 86 11.319 4.153 -24.170 653 H ASN 87 H ASN 87 9.396 3.327 -23.279 654 HA ASN 87 HA ASN 87 8.364 3.883 -25.778 655 HB2 ASN 87 1HB ASN 87 8.153 1.553 -23.922 656 HB3 ASN 87 2HB ASN 87 7.119 1.581 -25.347 657 HD21 ASN 87 1HD2 ASN 87 8.529 2.482 -27.331 658 HD22 ASN 87 2HD2 ASN 87 9.971 1.567 -27.594 659 H MET 88 H MET 88 6.700 3.704 -22.681 660 HA MET 88 HA MET 88 4.079 3.958 -23.824 661 HB2 MET 88 1HB MET 88 4.911 3.014 -21.470 662 HB3 MET 88 2HB MET 88 4.578 4.669 -20.978 663 HG2 MET 88 1HG MET 88 2.559 3.727 -20.552 664 HG3 MET 88 2HG MET 88 2.305 4.228 -22.222 665 HE1 MET 88 3HE MET 88 2.097 1.948 -19.685 666 HE2 MET 88 1HE MET 88 1.127 0.700 -20.469 667 HE3 MET 88 2HE MET 88 2.843 0.424 -20.167 668 H LYS 89 H LYS 89 6.551 6.125 -22.701 669 HA LYS 89 HA LYS 89 5.066 8.421 -22.184 670 HB2 LYS 89 1HB LYS 89 7.601 7.961 -21.902 671 HB3 LYS 89 2HB LYS 89 7.735 8.529 -23.561 672 HG2 LYS 89 1HG LYS 89 7.000 10.685 -22.998 673 HG3 LYS 89 2HG LYS 89 6.390 10.155 -21.428 674 HD2 LYS 89 1HD LYS 89 8.383 11.239 -20.898 675 HD3 LYS 89 2HD LYS 89 8.842 9.535 -20.929 676 HE2 LYS 89 1HE LYS 89 10.528 10.730 -22.100 677 HE3 LYS 89 2HE LYS 89 9.567 9.880 -23.309 678 HZ1 LYS 89 3HZ LYS 89 9.957 12.091 -24.067 679 HZ2 LYS 89 1HZ LYS 89 9.413 12.760 -22.612 680 HZ3 LYS 89 2HZ LYS 89 8.323 11.980 -23.643 681 H LYS 90 H LYS 90 6.147 7.046 -25.231 682 HA LYS 90 HA LYS 90 5.619 9.225 -26.907 683 HB2 LYS 90 1HB LYS 90 5.744 6.260 -27.325 684 HB3 LYS 90 2HB LYS 90 5.210 7.304 -28.635 685 HG2 LYS 90 1HG LYS 90 7.357 8.597 -28.306 686 HG3 LYS 90 2HG LYS 90 7.879 7.274 -27.260 687 HD2 LYS 90 1HD LYS 90 7.571 5.697 -29.112 688 HD3 LYS 90 2HD LYS 90 7.055 7.025 -30.155 689 HE2 LYS 90 1HE LYS 90 9.753 6.797 -28.822 690 HE3 LYS 90 2HE LYS 90 9.414 6.399 -30.506 691 HZ1 LYS 90 3HZ LYS 90 8.500 8.830 -30.524 692 HZ2 LYS 90 1HZ LYS 90 10.155 8.532 -30.708 693 HZ3 LYS 90 2HZ LYS 90 9.546 9.024 -29.209 694 H VAL 91 H VAL 91 3.554 6.404 -26.196 695 HA VAL 91 HA VAL 91 1.305 7.270 -27.613 696 HB VAL 91 HB VAL 91 1.345 5.552 -25.128 697 HG11 VAL 91 1HG1 VAL 91 -0.860 5.411 -25.330 698 HG12 VAL 91 2HG1 VAL 91 -0.807 6.573 -26.658 699 HG13 VAL 91 3HG1 VAL 91 -0.687 4.844 -26.991 700 HG21 VAL 91 3HG2 VAL 91 2.575 4.194 -26.431 701 HG22 VAL 91 1HG2 VAL 91 1.040 3.855 -27.230 702 HG23 VAL 91 2HG2 VAL 91 2.141 5.054 -27.909 703 H ILE 92 H ILE 92 2.005 7.553 -24.129 704 HA ILE 92 HA ILE 92 -0.280 8.951 -23.389 705 HB ILE 92 HB ILE 92 2.492 9.202 -22.216 706 HG12 ILE 92 1HG1 ILE 92 0.162 7.436 -21.434 707 HG13 ILE 92 2HG1 ILE 92 1.630 6.895 -22.240 708 HG21 ILE 92 1HG2 ILE 92 0.090 10.624 -21.648 709 HG22 ILE 92 2HG2 ILE 92 0.468 9.578 -20.280 710 HG23 ILE 92 3HG2 ILE 92 1.661 10.743 -20.855 711 HD11 ILE 92 3HD1 ILE 92 1.284 7.866 -19.431 712 HD12 ILE 92 1HD1 ILE 92 1.941 6.333 -20.004 713 HD13 ILE 92 2HD1 ILE 92 2.866 7.820 -20.209 714 H LYS 93 H LYS 93 2.853 10.195 -24.498 715 HA LYS 93 HA LYS 93 2.296 12.924 -24.204 716 HB2 LYS 93 1HB LYS 93 4.546 11.900 -24.653 717 HB3 LYS 93 2HB LYS 93 4.049 11.679 -26.326 718 HG2 LYS 93 1HG LYS 93 5.248 13.643 -26.417 719 HG3 LYS 93 2HG LYS 93 3.588 14.224 -26.272 720 HD2 LYS 93 1HD LYS 93 4.624 15.520 -24.687 721 HD3 LYS 93 2HD LYS 93 4.128 14.144 -23.700 722 HE2 LYS 93 1HE LYS 93 6.423 14.740 -23.204 723 HE3 LYS 93 2HE LYS 93 6.364 13.160 -23.983 724 HZ1 LYS 93 3HZ LYS 93 6.688 15.409 -25.779 725 HZ2 LYS 93 1HZ LYS 93 7.469 13.908 -25.769 726 HZ3 LYS 93 2HZ LYS 93 7.991 15.139 -24.734 727 H ALA 94 H ALA 94 1.748 10.726 -26.924 728 HA ALA 94 HA ALA 94 0.863 12.637 -28.779 729 HB1 ALA 94 3HB ALA 94 0.382 10.880 -30.139 730 HB2 ALA 94 1HB ALA 94 1.411 10.046 -28.974 731 HB3 ALA 94 2HB ALA 94 -0.344 9.930 -28.843 732 H THR 95 H THR 95 -0.991 10.565 -26.556 733 HA THR 95 HA THR 95 -3.542 11.446 -27.249 734 HB THR 95 HB THR 95 -2.566 10.505 -24.545 735 HG1 THR 95 HG1 THR 95 -2.618 8.595 -25.440 736 HG21 THR 95 3HG2 THR 95 -5.335 10.893 -25.663 737 HG22 THR 95 1HG2 THR 95 -4.653 11.570 -24.185 738 HG23 THR 95 2HG2 THR 95 -5.001 9.844 -24.286 739 H ALA 96 H ALA 96 -1.455 12.580 -24.589 740 HA ALA 96 HA ALA 96 -3.177 14.647 -23.745 741 HB1 ALA 96 3HB ALA 96 -1.704 14.755 -22.090 742 HB2 ALA 96 1HB ALA 96 -0.697 13.585 -22.943 743 HB3 ALA 96 2HB ALA 96 -0.450 15.313 -23.197 744 H GLU 97 H GLU 97 -0.812 14.444 -26.287 745 HA GLU 97 HA GLU 97 -0.490 17.252 -26.674 746 HB2 GLU 97 1HB GLU 97 1.241 15.823 -27.481 747 HB3 GLU 97 2HB GLU 97 0.103 14.861 -28.414 748 HG2 GLU 97 1HG GLU 97 0.005 16.361 -30.113 749 HG3 GLU 97 2HG GLU 97 0.295 17.743 -29.059 750 H LYS 98 H LYS 98 -2.621 14.791 -28.007 751 HA LYS 98 HA LYS 98 -3.705 16.160 -30.157 752 HB2 LYS 98 1HB LYS 98 -4.213 13.766 -28.851 753 HB3 LYS 98 2HB LYS 98 -5.714 14.664 -28.665 754 HG2 LYS 98 1HG LYS 98 -5.790 13.281 -30.647 755 HG3 LYS 98 2HG LYS 98 -5.816 14.989 -31.089 756 HD2 LYS 98 1HD LYS 98 -3.593 14.943 -31.837 757 HD3 LYS 98 2HD LYS 98 -3.254 13.424 -31.005 758 HE2 LYS 98 1HE LYS 98 -5.416 13.297 -32.990 759 HE3 LYS 98 2HE LYS 98 -3.821 13.650 -33.654 760 HZ1 LYS 98 3HZ LYS 98 -3.564 11.445 -33.605 761 HZ2 LYS 98 1HZ LYS 98 -4.840 11.205 -32.520 762 HZ3 LYS 98 2HZ LYS 98 -3.308 11.632 -31.944 763 H PHE 99 H PHE 99 -4.344 16.506 -26.734 764 HA PHE 99 HA PHE 99 -6.738 17.926 -26.817 765 HB2 PHE 99 1HB PHE 99 -4.442 17.869 -24.887 766 HB3 PHE 99 2HB PHE 99 -5.768 19.002 -24.648 767 HD1 PHE 99 HD1 PHE 99 -4.860 15.441 -24.821 768 HD2 PHE 99 HD2 PHE 99 -7.887 18.275 -23.864 769 HE1 PHE 99 HE1 PHE 99 -6.167 13.668 -23.724 770 HE2 PHE 99 HE2 PHE 99 -9.199 16.508 -22.764 771 HZ PHE 99 HZ PHE 99 -8.339 14.201 -22.692 772 H LYS 100 H LYS 100 -3.543 18.884 -27.687 773 HA LYS 100 HA LYS 100 -3.652 21.644 -27.357 774 HB2 LYS 100 1HB LYS 100 -2.252 19.934 -29.408 775 HB3 LYS 100 2HB LYS 100 -2.047 21.680 -29.339 776 HG2 LYS 100 1HG LYS 100 -1.420 21.263 -26.863 777 HG3 LYS 100 2HG LYS 100 -1.172 19.596 -27.386 778 HD2 LYS 100 1HD LYS 100 0.654 20.118 -28.641 779 HD3 LYS 100 2HD LYS 100 0.055 21.730 -29.039 780 HE2 LYS 100 1HE LYS 100 0.569 22.462 -26.747 781 HE3 LYS 100 2HE LYS 100 1.205 20.858 -26.389 782 HZ1 LYS 100 3HZ LYS 100 2.969 21.166 -27.899 783 HZ2 LYS 100 1HZ LYS 100 2.890 22.594 -26.996 784 HZ3 LYS 100 2HZ LYS 100 2.274 22.554 -28.570 785 H ASN 101 H ASN 101 -5.261 19.604 -29.638 786 HA ASN 101 HA ASN 101 -5.847 21.660 -31.547 787 HB2 ASN 101 1HB ASN 101 -7.423 19.115 -31.251 788 HB3 ASN 101 2HB ASN 101 -7.073 20.031 -32.714 789 HD21 ASN 101 1HD2 ASN 101 -4.359 20.400 -32.456 790 HD22 ASN 101 2HD2 ASN 101 -3.562 18.871 -32.569 791 H LYS 102 H LYS 102 -7.235 20.575 -28.583 792 HA LYS 102 HA LYS 102 -9.512 22.396 -29.003 793 HB2 LYS 102 1HB LYS 102 -10.722 20.884 -27.333 794 HB3 LYS 102 2HB LYS 102 -10.498 20.261 -28.963 795 HG2 LYS 102 1HG LYS 102 -8.394 19.599 -26.999 796 HG3 LYS 102 2HG LYS 102 -9.971 18.841 -26.764 797 HD2 LYS 102 1HD LYS 102 -8.738 18.828 -29.482 798 HD3 LYS 102 2HD LYS 102 -8.147 17.697 -28.262 799 HE2 LYS 102 1HE LYS 102 -9.800 16.445 -29.244 800 HE3 LYS 102 2HE LYS 102 -10.700 17.204 -27.932 801 HZ1 LYS 102 3HZ LYS 102 -11.689 18.713 -29.392 802 HZ2 LYS 102 1HZ LYS 102 -11.742 17.242 -30.226 803 HZ3 LYS 102 2HZ LYS 102 -10.581 18.403 -30.632 804 H GLY 103 H GLY 103 -6.824 22.829 -27.812 805 HA2 GLY 103 1HA GLY 103 -7.700 24.277 -25.499 806 HA3 GLY 103 2HA GLY 103 -6.724 22.879 -25.074 807 H PHE 104 H PHE 104 -5.018 23.019 -27.398 808 HA PHE 104 HA PHE 104 -2.997 23.895 -27.966 809 HB2 PHE 104 1HB PHE 104 -4.119 26.614 -27.326 810 HB3 PHE 104 2HB PHE 104 -2.942 26.177 -28.560 811 HD1 PHE 104 HD2 PHE 104 -6.486 26.258 -27.673 812 HD2 PHE 104 HD1 PHE 104 -3.641 25.236 -30.669 813 HE1 PHE 104 HE2 PHE 104 -8.297 26.089 -29.330 814 HE2 PHE 104 HE1 PHE 104 -5.447 25.067 -32.332 815 HZ PHE 104 HZ PHE 104 -7.779 25.492 -31.662 816 H LYS 105 H LYS 105 -3.633 23.313 -25.105 817 HA LYS 105 HA LYS 105 -1.292 24.647 -23.981 818 HB2 LYS 105 1HB LYS 105 -3.582 25.789 -23.373 819 HB3 LYS 105 2HB LYS 105 -3.728 24.439 -22.255 820 HG2 LYS 105 1HG LYS 105 -1.260 26.129 -22.292 821 HG3 LYS 105 2HG LYS 105 -2.705 26.650 -21.423 822 HD2 LYS 105 1HD LYS 105 -2.670 24.645 -20.077 823 HD3 LYS 105 2HD LYS 105 -1.316 24.003 -21.011 824 HE2 LYS 105 1HE LYS 105 0.029 25.970 -20.268 825 HE3 LYS 105 2HE LYS 105 -1.311 26.427 -19.217 826 HZ1 LYS 105 3HZ LYS 105 0.577 25.063 -18.218 827 HZ2 LYS 105 1HZ LYS 105 -0.083 23.746 -19.051 828 HZ3 LYS 105 2HZ LYS 105 -1.004 24.561 -17.890 829 H VAL 106 H VAL 106 -0.187 22.706 -24.021 830 HA VAL 106 HA VAL 106 -1.184 20.658 -22.150 831 HB VAL 106 HB VAL 106 0.370 20.164 -24.694 832 HG11 VAL 106 1HG1 VAL 106 1.084 18.340 -23.618 833 HG12 VAL 106 2HG1 VAL 106 -0.076 18.553 -22.305 834 HG13 VAL 106 3HG1 VAL 106 -0.567 17.745 -23.794 835 HG21 VAL 106 3HG2 VAL 106 -2.454 19.378 -23.981 836 HG22 VAL 106 1HG2 VAL 106 -2.015 20.724 -25.034 837 HG23 VAL 106 2HG2 VAL 106 -1.625 19.070 -25.507 838 H GLU 107 H GLU 107 0.255 19.837 -20.699 839 HA GLU 107 HA GLU 107 3.087 20.451 -20.954 840 HB2 GLU 107 1HB GLU 107 1.272 21.683 -18.941 841 HB3 GLU 107 2HB GLU 107 2.871 21.192 -18.402 842 HG2 GLU 107 1HG GLU 107 2.365 23.004 -20.748 843 HG3 GLU 107 2HG GLU 107 2.706 23.565 -19.112 844 H THR 108 H THR 108 3.944 18.493 -20.741 845 HA THR 108 HA THR 108 2.825 16.654 -18.740 846 HB THR 108 HB THR 108 3.833 14.845 -19.936 847 HG1 THR 108 HG1 THR 108 5.307 16.905 -21.133 848 HG21 THR 108 3HG2 THR 108 2.314 14.832 -21.586 849 HG22 THR 108 1HG2 THR 108 3.010 16.257 -22.355 850 HG23 THR 108 2HG2 THR 108 1.873 16.442 -21.020 851 H ASP 109 H ASP 109 4.118 15.674 -17.201 852 HA ASP 109 HA ASP 109 6.655 17.043 -16.679 853 HB2 ASP 109 1HB ASP 109 4.915 17.006 -14.897 854 HB3 ASP 109 2HB ASP 109 5.050 15.250 -14.846 855 H MET 110 H MET 110 8.298 16.043 -17.677 856 HA MET 110 HA MET 110 8.415 13.307 -18.301 857 HB2 MET 110 1HB MET 110 10.487 15.477 -18.132 858 HB3 MET 110 2HB MET 110 10.945 13.819 -18.494 859 HG2 MET 110 1HG MET 110 10.718 14.708 -20.593 860 HG3 MET 110 2HG MET 110 9.128 13.993 -20.336 861 HE1 MET 110 3HE MET 110 11.213 17.253 -20.724 862 HE2 MET 110 1HE MET 110 10.106 18.494 -20.136 863 HE3 MET 110 2HE MET 110 10.794 17.322 -19.012
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